*HEADER    ANTIMICROBIAL PROTEIN                   02-JUL-02   1M4F              
*TITLE     SOLUTION STRUCTURE OF HEPCIDIN-25                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPCIDIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HEPCIDIN-25 (RESIDUES 60-84);                              
*COMPND   5 SYNONYM: LIVER-EXPRESSED ANTIMICROBIAL PEPTIDE, LEAP-1,              
*COMPND   6 PUTATIVE LIVER TUMOR REGRESSOR, PLTR, HEPC25;                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THE PROTEIN IS NATURALLY              
*SOURCE   4 FOUND IN HOMO SAPIENS. THE PROTEIN WAS CHEMICALLY                    
*SOURCE   5 SYNTHESIZED.                                                         
*KEYWDS    STRAND-LOOP-STRAND, BETA-SHEET, HAIRPIN LOOP                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.N.HUNTER, D.B.FULTON, T.GANZ, H.J.VOGEL                             
*REVDAT   1   06-NOV-02 1M4F    0                                                

 ASSI {  131}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.55405E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  131}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 OR {  131}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  369}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
      3.700     1.700     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.15969E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  369}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
 OR {  369}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
 OR {  369}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.39729E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {   38}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {   54}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      4.000     2.000     2.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.60025E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   54}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {   54}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  622}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.51784E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  622}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  364}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HD1 ))
      2.400     2.400     3.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.22241E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  364}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  364}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  364}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {  364}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  364}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI {  429}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  429}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  429}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  429}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  429}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  108}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.000     2.000     4.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.15061E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  108}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  308}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB1 ))
      2.800     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.23464E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  308}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 ASSI {  203}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.17267E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  208}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      2.900     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  196}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.97586E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  116}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.68983E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  130}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.41283E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  130}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  199}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.66177E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  179}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     2.000     4.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.13572E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  167}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11430E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  167}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  351}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.40099E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  351}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  181}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     2.200     3.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.71430E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  164}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.61111E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  164}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  362}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.500     3.500     2.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17980E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  362}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
 OR {  362}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  362}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  330}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.100     0.500     0.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.65939E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  330}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  354}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HD1 ))
      3.400     1.500     1.500 peak   354 spectrum    1 weight  0.10000E+01 volume  0.28082E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  354}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
 OR {  354}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  354}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
 ASSI {  171}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.300     1.400     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.98383E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  171}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HD2 ))
 ASSI {  471}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      1.800     0.400     0.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.17073E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  471}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  489}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HD2 ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.64011E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  489}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HD1 ))
 OR {  489}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  489}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
 ASSI {  491}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HD1 ))
      2.300     0.600     0.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.40519E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  491}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR {  491}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD1 ))
 OR {  491}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HD2 ))
 ASSI {  137}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      1.900     0.500     0.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.18275E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  137}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  484}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  301}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      4.900     2.900     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.76093E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  569}
   (( segid "    " and resid 6    and name HG11))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.25023E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  557}
   (( segid "    " and resid 6    and name HG11))
   (  segid "    " and resid 6    and name HD1%)
      2.000     0.500     0.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.94216E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  538}
   (( segid "    " and resid 6    and name HG12))
   (( segid "    " and resid 6    and name HA  ))
      3.300     1.400     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.18976E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  525}
   (( segid "    " and resid 6    and name HG12))
   (( segid "    " and resid 6    and name HG11))
      1.200     0.200     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.22894E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  587}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.100     0.600     0.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.89598E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  520}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      1.800     0.400     0.400 peak   520 spectrum    1 weight  0.10000E+01 volume  0.18132E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  579}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HG11))
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.72735E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  582}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HG12))
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61468E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  127}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.24363E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  158}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      4.200     2.200     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.83016E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  149}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG11))
      2.700     0.900     0.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16714E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  145}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG12))
      1.900     0.400     0.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.29107E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  153}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      2.600     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.36754E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  503}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     2.800     3.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.83707E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  503}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 7    and name HB1 ))
 OR {  503}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 7    and name HB2 ))
 OR {  503}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {   76}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      1.900     1.900     4.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.19631E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  613}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   53}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG12))
      3.200     1.300     1.300 peak    53 spectrum    1 weight  0.10000E+01 volume  0.95876E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   48}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.300     1.300     1.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.48125E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  607}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.000     0.500     0.500 peak   607 spectrum    1 weight  0.10000E+01 volume  0.22718E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  457}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.45481E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  457}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {   85}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.31384E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   67}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.500     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.52530E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   67}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  152}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      2.300     2.300     3.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.14357E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  135}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.23180E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  135}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  591}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      4.400     2.500     1.600 peak   591 spectrum    1 weight  0.10000E+01 volume  0.15262E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  522}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HD1%)
      2.600     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.29608E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  519}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HG11))
      2.500     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  599}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HG11))
      1.800     1.800     4.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15261E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  567}
   (( segid "    " and resid 8    and name HG12))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.15584E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  517}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HG12))
      2.400     0.700     0.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.65949E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  555}
   (( segid "    " and resid 8    and name HG12))
   (  segid "    " and resid 8    and name HD1%)
      2.100     0.600     0.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.58446E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  559}
   (( segid "    " and resid 8    and name HG12))
   (( segid "    " and resid 8    and name HG11))
      1.300     0.200     0.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18921E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  590}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.100     0.500     0.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.94107E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  521}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      1.700     0.400     0.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.23625E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  118}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.600     0.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.41804E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  157}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      4.500     2.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  150}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG11))
      2.800     1.000     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.33203E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  147}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG12))
      2.400     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.10144E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  155}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.400     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.40701E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   36}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      1.500     0.300     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.25974E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   42}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.200     2.200     3.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.78315E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG11))
      3.900     1.900     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.71389E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   43}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG12))
      4.300     2.300     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   45}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.500     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.34119E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   35}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.27715E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  368}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
      2.800     2.800     3.200 peak   368 spectrum    1 weight  0.10000E+01 volume  0.39663E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  368}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI {  566}
   (( segid "    " and resid 8    and name HG12))
   (( segid "    " and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.10843E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  566}
   (( segid "    " and resid 8    and name HG12))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  371}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      2.300     2.300     3.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.16873E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  371}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      1.700     0.400     0.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12221E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  602}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.89150E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  424}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   424 spectrum    1 weight  0.10000E+01 volume  0.72128E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  424}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  114}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.43930E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  129}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.65309E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  129}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   33}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.000     0.500     0.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.78512E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   37}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.33158E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   37}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {   31}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.52538E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  427}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.23074E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  427}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {   32}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.87705E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   39}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   39}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  180}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      1.800     0.400     0.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.79018E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  163}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  163}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  350}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.74620E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  350}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  225}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.400     1.500     1.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.43844E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  225}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  414}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.70883E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  414}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {   79}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.69279E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  345}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12084E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  345}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  255}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.16233E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  255}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB1 ))
 OR {  255}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {   75}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.36053E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   68}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11210E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   68}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  478}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.100     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.71495E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  478}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  272}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.12059E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  272}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  511}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.100     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.64904E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  511}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 OR {  511}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  511}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  269}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.800     1.000     1.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.21016E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  269}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  540}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  540}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  174}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   81}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.50035E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   59}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.19473E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   59}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  618}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.300     2.400     1.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.50605E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  618}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {   78}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.51278E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  175}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.58166E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  185}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  220}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.46058E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  231}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.42424E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  231}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  230}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.300     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10173E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  230}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  222}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.14796E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   91}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.45481E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  545}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.15055E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  545}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  221}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.200     2.200     3.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.55992E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  233}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.300     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.36908E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  233}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
 ASSI {  266}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.27546E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  266}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  600}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   600 spectrum    1 weight  0.10000E+01 volume  0.10055E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  432}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.66637E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  432}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  443}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.54985E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  443}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {   80}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      1.800     0.400     0.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.14024E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   51}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.900     1.900     1.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   51}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  211}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.93004E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  442}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.28112E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  442}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {   84}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.23879E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  282}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 20   and name HA2 ))
      3.200     1.300     1.300 peak   282 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  282}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  250}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 20   and name HA2 ))
      2.600     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.30698E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  250}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  126}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.600     1.700     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.98489E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  126}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  623}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   623 spectrum    1 weight  0.10000E+01 volume  0.51784E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  182}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      1.800     0.400     0.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.83737E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  161}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.100     1.200     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.20331E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  161}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  172}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.700     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.18774E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  172}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  274}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      4.400     2.400     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.77396E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  274}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  276}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 21   and name HG2 ))
      3.100     1.200     1.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.12500E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  276}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 21   and name HG1 ))
 ASSI {  267}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 21   and name HG1 ))
      4.300     2.300     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.54362E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  267}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  289}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   289 spectrum    1 weight  0.10000E+01 volume  0.18087E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  113}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   72}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.100     0.500     0.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.88644E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   72}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  473}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.600     0.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.32859E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  473}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {   82}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.32692E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {    7}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     2.600     3.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.29681E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  375}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 8    and name HG12))
      3.100     1.200     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.16230E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  375}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 8    and name HG12))
 ASSI {   17}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 8    and name HG11))
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.61931E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   10}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {    4}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.72700E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {    9}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      1.600     0.300     0.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13463E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   16}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.200     1.300     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   16}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {    1}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.400     1.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.61852E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  431}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.22208E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  431}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {    8}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.19787E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  446}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     2.700     3.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.10118E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  446}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  467}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.600     1.600     1.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  467}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  467}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 23   and name HB1 ))
 OR {  467}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  447}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 5    and name HG2 ))
      2.800     1.000     1.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.15262E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  447}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
 OR {  447}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  502}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11553E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  502}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 23   and name HB1 ))
 OR {  502}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  502}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  292}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.51921E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  458}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.11591E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  458}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {   24}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      1.900     1.900     4.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.13491E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   22}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.66824E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   22}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  249}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.66974E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  441}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.48444E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  441}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {   25}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.32728E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   21}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.46015E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   21}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  201}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     2.200     3.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.15856E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  205}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.17594E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  205}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  207}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.800     1.900     1.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.74853E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  207}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  133}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.900     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.14720E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  133}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {   27}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.16108E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  476}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      2.100     0.600     0.600 peak   476 spectrum    1 weight  0.10000E+01 volume  0.63998E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  476}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  544}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.14847E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  544}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  119}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.47432E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  139}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.800     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.21800E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  139}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  146}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      2.500     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.23009E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  146}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  317}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB  ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.24224E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  572}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.30263E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   73}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.900     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.22183E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   49}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.300     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.13199E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  571}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HB  ))
      2.400     0.700     0.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.52857E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  571}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  123}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      1.900     0.500     0.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.13620E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  123}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
 ASSI {  245}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.32115E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  245}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  256}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.44970E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  256}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB1 ))
 OR {  256}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB2 ))
 OR {  256}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  234}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
      3.900     1.900     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.96566E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  234}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  183}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      3.100     1.200     1.200 peak   183 spectrum    1 weight  0.10000E+01 volume  0.15459E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  183}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
 ASSI {  253}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 5    and name HD1 ))
      3.500     1.600     1.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17811E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  253}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 5    and name HD1 ))
 OR {  253}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 5    and name HD2 ))
 OR {  253}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 5    and name HD2 ))
 ASSI {  462}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      1.600     0.300     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.22948E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  462}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  462}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  462}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  564}
   (( segid "    " and resid 6    and name HG11))
   (( segid "    " and resid 5    and name HG2 ))
      4.200     2.300     1.800 peak   564 spectrum    1 weight  0.10000E+01 volume  0.25984E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  564}
   (( segid "    " and resid 6    and name HG11))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  518}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HG11))
      2.300     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.29595E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   47}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      4.000     2.000     2.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.12217E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  596}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HG12))
      2.500     0.800     0.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.34965E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  144}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.900     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.14446E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  453}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.900     2.000     2.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.63945E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  453}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  453}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {  453}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  418}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.30838E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  418}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  418}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 OR {  418}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB1 ))
      1.900     0.400     0.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.16826E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB1 ))
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB1 ))
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB1 ))
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
 OR {  280}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  287}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 9    and name HE% )
      1.700     0.300     0.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.27528E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  287}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 9    and name HE% )
 OR {  287}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 9    and name HE% )
 OR {  287}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 9    and name HE% )
 ASSI {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.15739E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {   87}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD% )
      4.600     2.600     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.78753E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   87}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD% )
 ASSI {  243}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 9    and name HZ  ))
      2.000     0.500     0.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.11294E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  243}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 9    and name HZ  ))
 ASSI {  425}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  425}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  425}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  425}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.28279E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  132}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {  132}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  132}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  288}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.12235E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  288}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      2.100     0.600     0.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.57105E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
 OR {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
 OR {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
 ASSI {   90}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.61506E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  498}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.800     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32578E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  498}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  498}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  498}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  498}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  498}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  498}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  281}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HD1 ))
      2.100     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.69830E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  281}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  281}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  281}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  366}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.28914E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  366}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  366}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG1 ))
 OR {  366}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG1 ))
 OR {  366}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  366}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HG1 ))
 OR {  366}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  318}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.23245E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  318}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  318}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR {  318}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   71}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.40301E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   71}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {   71}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   71}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  223}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      2.800     1.000     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.14831E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  223}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
 OR {  223}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
 OR {  223}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
 ASSI {  271}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 18   and name HD1 ))
      2.400     2.400     3.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  271}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  271}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  530}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HD1 ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.56878E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  530}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  530}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  530}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  530}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {  530}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {  530}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  516}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.300     0.600     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.45400E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  516}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  516}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  516}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  516}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  516}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  516}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG1 ))
 ASSI {  367}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.500     2.500     3.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.85418E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  367}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  367}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  367}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 18   and name HG1 ))
 ASSI {  226}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
      2.500     2.500     3.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.98773E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  226}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  226}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  226}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      3.300     1.400     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.400     1.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.31096E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  224}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  481}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.300     0.600     0.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.40233E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  481}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  481}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  481}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  482}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.26792E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  482}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  482}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR {  482}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG1 ))
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.51113E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  515}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  515}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  515}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  534}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HE2 ))
      2.800     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.29734E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  534}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HE2 ))
 OR {  534}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HE1 ))
 OR {  534}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HE1 ))
 OR {  534}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HE2 ))
 OR {  534}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HE2 ))
 OR {  534}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HE1 ))
 ASSI {  227}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak   227 spectrum    1 weight  0.10000E+01 volume  0.19173E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  227}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {  227}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  227}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  228}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      2.900     1.100     1.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.62457E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  228}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  228}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {  228}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  358}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.600     1.600     4.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.15946E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  358}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  358}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  358}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  358}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  358}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  277}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      4.700     2.700     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.52804E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  277}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
 OR {  277}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  277}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  265}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
      3.000     1.200     1.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.22963E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  265}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
 OR {  265}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  265}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {   56}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.52955E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   56}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {   56}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {   56}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {   66}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.700     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.51549E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   66}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  452}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.300     1.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.98765E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  452}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  452}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  452}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  452}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  452}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  452}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {   88}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 9    and name HD% )
      3.600     1.600     1.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.68631E-03 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   88}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 9    and name HD% )
 ASSI {  472}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.20784E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  472}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  472}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  461}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB2 ))
      1.800     0.400     0.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.28272E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  461}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB1 ))
 ASSI {  456}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.19662E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  456}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  456}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  456}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.200     0.600     0.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.74327E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 21   and name HE% )
 OR {  450}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 21   and name HE% )
 ASSI {  448}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.200     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.76215E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  448}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {  448}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  448}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  448}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  448}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {  448}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI {   61}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.100     0.600     0.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.99185E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   61}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
 OR {   61}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
 ASSI {   55}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.63502E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   55}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI {   63}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.82280E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   63}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
 OR {   63}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {   13}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.300     2.300     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.10415E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   13}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR {   13}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
 OR {   13}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
 ASSI {  399}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HE2 ))
      2.200     2.200     3.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.22777E-01 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  399}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  399}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HE1 ))
 OR {  399}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HE1 ))
 OR {  399}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  399}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  399}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HE1 ))
 ASSI {  206}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.18460E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  206}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  206}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI {  608}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.21698E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {   12}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.30873E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {   12}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  549}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HE2 ))
      3.000     1.100     1.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.16296E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  549}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  549}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  549}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE2 ))
 OR {  549}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HE1 ))
 OR {  549}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE1 ))
 OR {  549}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE1 ))
 ASSI {   97}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     2.500     3.500 peak    97 spectrum    1 weight  0.10000E+01 volume  0.29879E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI {  513}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG2 ))
      2.200     0.600     0.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.52467E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  513}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  550}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.200     0.600     0.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.54699E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  550}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {  550}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  550}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  550}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  550}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  550}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.37242E-02 ppm1   -999.000 ppm2   -999.000 CV     1
 OR {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HD1 ))
 OR {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HD2 ))
 OR {  143}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HD2 ))


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1HT       ASP   1  -6.351  -5.271  -0.276
    2   2H    ASP   1          2HT       ASP   1  -5.969  -5.150  -1.919
    3   3H    ASP   1          3HT       ASP   1  -5.242  -6.345  -0.969
    4    HA   ASP   1           HA       ASP   1  -7.044  -7.172  -2.434
    5   1HB   ASP   1          2HB       ASP   1  -8.041  -8.561  -0.659
    6   2HB   ASP   1          1HB       ASP   1  -6.302  -8.388  -0.441
    7    H    THR   2           H        THR   2  -8.053  -4.937   0.118
    8    HA   THR   2           HA       THR   2 -10.818  -5.049  -0.396
    9    HB   THR   2           HB       THR   2  -9.228  -2.744   0.751
   10    HG1  THR   2           1HG      THR   2 -10.707  -4.445   2.384
   11   1HG2  THR   2          1HG2      THR   2 -11.565  -2.492   1.946
   12   2HG2  THR   2          2HG2      THR   2 -12.145  -3.317   0.499
   13   3HG2  THR   2          3HG2      THR   2 -11.282  -1.785   0.356
   14    H    HIS   3           H        HIS   3 -12.126  -3.913  -1.735
   15    HA   HIS   3           HA       HIS   3 -11.089  -2.943  -4.160
   16   1HB   HIS   3          2HB       HIS   3 -13.357  -3.890  -3.897
   17   2HB   HIS   3          1HB       HIS   3 -13.825  -2.475  -2.961
   18    HD1  HIS   3           1HD      HIS   3 -12.257  -3.024  -6.395
   19    HD2  HIS   3           2HD      HIS   3 -15.180  -0.743  -4.518
   20    HE1  HIS   3           1HE      HIS   3 -13.263  -1.600  -8.206
   21    HE2  HIS   3           2HE      HIS   3 -14.997  -0.192  -7.039
   22    H    PHE   4           H        PHE   4 -12.187  -1.297  -1.238
   23    HA   PHE   4           HA       PHE   4 -10.816   1.117  -2.125
   24   1HB   PHE   4          2HB       PHE   4 -13.130   1.411  -2.902
   25   2HB   PHE   4          1HB       PHE   4 -13.718   1.135  -1.267
   26    HD1  PHE   4           1HD      PHE   4 -14.703   3.130  -0.639
   27    HD2  PHE   4           2HD      PHE   4 -10.843   3.198  -2.432
   28    HE1  PHE   4           1HE      PHE   4 -14.529   5.538  -0.166
   29    HE2  PHE   4           2HE      PHE   4 -10.663   5.606  -1.961
   30    HZ   PHE   4           HZ       PHE   4 -12.507   6.779  -0.826
   31    HA   PRO   5           HA       PRO   5 -10.425   0.112   2.438
   32   1HB   PRO   5          2HB       PRO   5  -7.741  -0.218   2.496
   33   2HB   PRO   5          1HB       PRO   5  -8.850  -1.539   2.110
   34   1HG   PRO   5          2HG       PRO   5  -7.230   0.173   0.270
   35   2HG   PRO   5          1HG       PRO   5  -7.522  -1.574   0.207
   36   1HD   PRO   5          2HD       PRO   5  -8.856   0.227  -1.344
   37   2HD   PRO   5          1HD       PRO   5  -9.551  -1.322  -0.828
   38    H    ILE   6           H        ILE   6  -7.798   1.094   3.359
   39    HA   ILE   6           HA       ILE   6  -8.462   3.907   3.444
   40    HB   ILE   6           HB       ILE   6  -6.538   4.072   5.016
   41   1HG1  ILE   6          2HG1      ILE   6  -6.415   1.069   4.642
   42   2HG1  ILE   6          1HG1      ILE   6  -5.195   2.219   4.102
   43   1HG2  ILE   6          1HG2      ILE   6  -9.018   3.301   5.517
   44   2HG2  ILE   6          2HG2      ILE   6  -7.791   3.361   6.783
   45   3HG2  ILE   6          3HG2      ILE   6  -8.197   1.823   6.020
   46   1HD1  ILE   6          1HD1      ILE   6  -5.245   2.864   6.682
   47   2HD1  ILE   6          2HD1      ILE   6  -4.230   1.573   6.039
   48   3HD1  ILE   6          3HD1      ILE   6  -5.769   1.185   6.809
   49    H    CYS   7           H        CYS   7  -5.931   1.844   2.139
   50    HA   CYS   7           HA       CYS   7  -4.230   2.213   0.687
   51   1HB   CYS   7          2HB       CYS   7  -6.137   4.383  -0.173
   52   2HB   CYS   7          1HB       CYS   7  -4.643   4.031  -1.033
   53    H    ILE   8           H        ILE   8  -3.809   3.271   3.237
   54    HA   ILE   8           HA       ILE   8  -2.934   5.950   3.236
   55    HB   ILE   8           HB       ILE   8  -1.569   5.320   5.217
   56   1HG1  ILE   8          2HG1      ILE   8  -2.647   2.537   4.700
   57   2HG1  ILE   8          1HG1      ILE   8  -0.976   3.033   4.449
   58   1HG2  ILE   8          1HG2      ILE   8  -3.718   5.981   5.774
   59   2HG2  ILE   8          2HG2      ILE   8  -3.592   4.399   6.542
   60   3HG2  ILE   8          3HG2      ILE   8  -4.458   4.571   5.016
   61   1HD1  ILE   8          1HD1      ILE   8  -0.488   2.705   6.584
   62   2HD1  ILE   8          2HD1      ILE   8  -2.078   1.959   6.754
   63   3HD1  ILE   8          3HD1      ILE   8  -1.864   3.672   7.117
   64    H    PHE   9           H        PHE   9  -1.189   6.890   2.366
   65    HA   PHE   9           HA       PHE   9   0.499   5.605   0.579
   66   1HB   PHE   9          2HB       PHE   9   0.102   8.076   0.724
   67   2HB   PHE   9          1HB       PHE   9   1.171   8.117   2.121
   68    HD1  PHE   9           1HD      PHE   9   1.475   6.276  -1.101
   69    HD2  PHE   9           2HD      PHE   9   3.052   9.283   1.464
   70    HE1  PHE   9           1HE      PHE   9   3.405   6.535  -2.603
   71    HE2  PHE   9           2HE      PHE   9   4.987   9.548  -0.033
   72    HZ   PHE   9           HZ       PHE   9   5.165   8.175  -2.069
   73    H    CYS  10           H        CYS  10   2.476   4.644   0.691
   74    HA   CYS  10           HA       CYS  10   4.075   4.737   3.093
   75   1HB   CYS  10          2HB       CYS  10   3.994   2.316   3.520
   76   2HB   CYS  10          1HB       CYS  10   2.401   3.044   3.707
   77    H    CYS  11           H        CYS  11   6.003   5.115   2.154
   78    HA   CYS  11           HA       CYS  11   6.654   4.075  -0.428
   79   1HB   CYS  11          2HB       CYS  11   8.168   5.682   1.606
   80   2HB   CYS  11          1HB       CYS  11   8.977   5.033   0.184
   81    H    GLY  12           H        GLY  12   7.541   2.198  -0.929
   82   1HA   GLY  12          2HA       GLY  12   8.133   0.224   1.008
   83   2HA   GLY  12          1HA       GLY  12   8.534   0.134  -0.704
   84    H    CYS  13           H        CYS  13   9.610   0.945   2.454
   85    HA   CYS  13           HA       CYS  13  12.068   2.213   1.879
   86   1HB   CYS  13          2HB       CYS  13  12.563   1.933   4.202
   87   2HB   CYS  13          1HB       CYS  13  10.834   2.236   4.085
   88    H    CYS  14           H        CYS  14  11.315  -1.049   2.907
   89    HA   CYS  14           HA       CYS  14  14.072  -1.802   2.301
   90   1HB   CYS  14          2HB       CYS  14  12.241  -3.059   4.318
   91   2HB   CYS  14          1HB       CYS  14  14.007  -3.037   4.290
   92    H    HIS  15           H        HIS  15  10.827  -3.360   2.553
   93    HA   HIS  15           HA       HIS  15  11.556  -5.707   1.207
   94   1HB   HIS  15          2HB       HIS  15   8.862  -4.313   1.186
   95   2HB   HIS  15          1HB       HIS  15   9.150  -5.990   0.734
   96    HD1  HIS  15           1HD      HIS  15  10.547  -7.274   2.898
   97    HD2  HIS  15           2HD      HIS  15   7.860  -4.203   3.684
   98    HE1  HIS  15           1HE      HIS  15   9.879  -7.565   5.305
   99    HE2  HIS  15           2HE      HIS  15   8.187  -5.749   5.733
  100    H    ARG  16           H        ARG  16   9.301  -3.479  -0.327
  101    HA   ARG  16           HA       ARG  16  10.740  -3.784  -2.855
  102   1HB   ARG  16          2HB       ARG  16   8.004  -2.793  -2.101
  103   2HB   ARG  16          1HB       ARG  16   8.705  -2.333  -3.645
  104   1HG   ARG  16          2HG       ARG  16   7.268  -4.237  -3.923
  105   2HG   ARG  16          1HG       ARG  16   8.941  -4.700  -4.226
  106   1HD   ARG  16          2HD       ARG  16   9.072  -5.602  -1.930
  107   2HD   ARG  16          1HD       ARG  16   7.370  -5.201  -1.701
  108    HE   ARG  16           HE       ARG  16   8.401  -7.486  -3.009
  109   1HH1  ARG  16          1HH1      ARG  16   5.816  -5.157  -3.197
  110   2HH1  ARG  16          2HH1      ARG  16   4.735  -6.234  -4.016
  111   1HH2  ARG  16          1HH2      ARG  16   6.987  -8.907  -4.089
  112   2HH2  ARG  16          2HH2      ARG  16   5.402  -8.363  -4.529
  113    H    SER  17           H        SER  17  12.224  -2.253  -3.388
  114    HA   SER  17           HA       SER  17  12.441   0.165  -1.852
  115   1HB   SER  17          2HB       SER  17  13.909  -0.707  -4.357
  116   2HB   SER  17          1HB       SER  17  14.340   0.682  -3.359
  117    HG   SER  17           HG       SER  17  15.541  -0.772  -2.400
  118    H    LYS  18           H        LYS  18   9.977   0.314  -2.756
  119    HA   LYS  18           HA       LYS  18  10.061   2.541  -4.628
  120   1HB   LYS  18          2HB       LYS  18   8.365   1.586  -6.114
  121   2HB   LYS  18          1HB       LYS  18   9.822   0.601  -6.095
  122   1HG   LYS  18          2HG       LYS  18   8.680  -0.892  -4.436
  123   2HG   LYS  18          1HG       LYS  18   7.203   0.027  -4.733
  124   1HD   LYS  18          2HD       LYS  18   7.417  -0.538  -7.152
  125   2HD   LYS  18          1HD       LYS  18   8.785  -1.575  -6.741
  126   1HE   LYS  18          2HE       LYS  18   6.755  -2.891  -6.948
  127   2HE   LYS  18          1HE       LYS  18   7.336  -2.904  -5.283
  128   1HZ   LYS  18          1HZ       LYS  18   5.391  -0.849  -5.988
  129   2HZ   LYS  18          2HZ       LYS  18   5.560  -1.733  -4.556
  130   3HZ   LYS  18          3HZ       LYS  18   4.821  -2.440  -5.902
  131    H    CYS  19           H        CYS  19   8.453   4.026  -4.318
  132    HA   CYS  19           HA       CYS  19   6.898   3.823  -1.932
  133   1HB   CYS  19          2HB       CYS  19   6.901   5.868  -4.156
  134   2HB   CYS  19          1HB       CYS  19   5.910   6.007  -2.709
  135    H    GLY  20           H        GLY  20   4.710   3.505  -1.674
  136   1HA   GLY  20          2HA       GLY  20   2.908   3.318  -3.890
  137   2HA   GLY  20          1HA       GLY  20   3.383   1.731  -3.306
  138    H    MET  21           H        MET  21   0.750   3.021  -3.295
  139    HA   MET  21           HA       MET  21   0.143   3.795  -0.614
  140   1HB   MET  21          2HB       MET  21  -1.750   2.884  -2.788
  141   2HB   MET  21          1HB       MET  21  -2.172   3.798  -1.345
  142   1HG   MET  21          2HG       MET  21  -0.813   5.671  -2.137
  143   2HG   MET  21          1HG       MET  21  -0.405   4.756  -3.587
  144   1HE   MET  21          1HE       MET  21  -3.047   6.089  -1.365
  145   2HE   MET  21          2HE       MET  21  -4.355   5.123  -2.048
  146   3HE   MET  21          3HE       MET  21  -4.235   6.841  -2.429
  147    H    CYS  22           H        CYS  22  -0.333   2.574   1.089
  148    HA   CYS  22           HA       CYS  22  -0.264  -0.297   0.885
  149   1HB   CYS  22          2HB       CYS  22  -0.360   1.664   3.141
  150   2HB   CYS  22          1HB       CYS  22  -0.790  -0.013   3.451
  151    H    CYS  23           H        CYS  23  -2.387   0.197  -0.578
  152    HA   CYS  23           HA       CYS  23  -4.847   0.606   0.669
  153   1HB   CYS  23          2HB       CYS  23  -4.153  -1.024  -1.778
  154   2HB   CYS  23          1HB       CYS  23  -5.805  -0.694  -1.270
  155    H    LYS  24           H        LYS  24  -3.295  -2.511  -0.140
  156    HA   LYS  24           HA       LYS  24  -5.235  -4.042   1.279
  157   1HB   LYS  24          2HB       LYS  24  -3.670  -5.930   0.917
  158   2HB   LYS  24          1HB       LYS  24  -4.027  -5.044  -0.558
  159   1HG   LYS  24          2HG       LYS  24  -1.896  -3.905  -0.426
  160   2HG   LYS  24          1HG       LYS  24  -1.542  -4.704   1.108
  161   1HD   LYS  24          2HD       LYS  24  -1.589  -6.877  -0.010
  162   2HD   LYS  24          1HD       LYS  24  -1.962  -6.087  -1.543
  163   1HE   LYS  24          2HE       LYS  24   0.544  -5.691   0.089
  164   2HE   LYS  24          1HE       LYS  24   0.411  -6.665  -1.374
  165   1HZ   LYS  24          1HZ       LYS  24   1.135  -4.748  -2.294
  166   2HZ   LYS  24          2HZ       LYS  24   0.497  -3.767  -1.073
  167   3HZ   LYS  24          3HZ       LYS  24  -0.515  -4.372  -2.285
  168    H    THR  25           H        THR  25  -3.160  -5.819   2.515
  169    HA   THR  25           HA       THR  25  -1.896  -4.332   4.604
  170    HB   THR  25           HB       THR  25  -4.345  -5.955   5.338
  171    HG1  THR  25           1HG      THR  25  -5.320  -4.078   5.524
  172   1HG2  THR  25          1HG2      THR  25  -2.169  -4.710   6.998
  173   2HG2  THR  25          2HG2      THR  25  -2.794  -6.358   7.057
  174   3HG2  THR  25          3HG2      THR  25  -3.775  -5.021   7.656
  Start of MODEL    2
    1   1H    ASP   1          1HT       ASP   1  -8.586  -7.797   0.979
    2   2H    ASP   1          2HT       ASP   1  -9.120  -6.290   1.533
    3   3H    ASP   1          3HT       ASP   1  -7.942  -6.377   0.322
    4    HA   ASP   1           HA       ASP   1  -9.447  -6.467  -1.271
    5   1HB   ASP   1          2HB       ASP   1 -10.790  -8.600   0.409
    6   2HB   ASP   1          1HB       ASP   1 -11.134  -8.267  -1.285
    7    H    THR   2           H        THR   2  -9.740  -4.529   0.739
    8    HA   THR   2           HA       THR   2 -12.482  -4.320   1.539
    9    HB   THR   2           HB       THR   2 -10.317  -2.206   1.537
   10    HG1  THR   2           1HG      THR   2 -10.468  -2.815   3.897
   11   1HG2  THR   2          1HG2      THR   2 -11.987  -0.806   2.042
   12   2HG2  THR   2          2HG2      THR   2 -12.133  -1.677   3.569
   13   3HG2  THR   2          3HG2      THR   2 -13.145  -2.129   2.197
   14    H    HIS   3           H        HIS   3 -14.100  -3.093   0.669
   15    HA   HIS   3           HA       HIS   3 -14.027  -2.569  -2.114
   16   1HB   HIS   3          2HB       HIS   3 -16.017  -1.670  -0.019
   17   2HB   HIS   3          1HB       HIS   3 -16.267  -1.581  -1.760
   18    HD1  HIS   3           1HD      HIS   3 -18.369  -3.115  -0.509
   19    HD2  HIS   3           2HD      HIS   3 -14.721  -4.897  -1.395
   20    HE1  HIS   3           1HE      HIS   3 -18.832  -5.585  -0.601
   21    HE2  HIS   3           2HE      HIS   3 -16.635  -6.631  -1.249
   22    H    PHE   4           H        PHE   4 -13.767  -0.555   0.753
   23    HA   PHE   4           HA       PHE   4 -12.730   1.635  -0.902
   24   1HB   PHE   4          2HB       PHE   4 -14.776   1.964   1.308
   25   2HB   PHE   4          1HB       PHE   4 -13.951   3.286   0.494
   26    HD1  PHE   4           1HD      PHE   4 -16.166   0.371  -0.196
   27    HD2  PHE   4           2HD      PHE   4 -14.909   4.266  -1.361
   28    HE1  PHE   4           1HE      PHE   4 -17.943   0.433  -1.895
   29    HE2  PHE   4           2HE      PHE   4 -16.684   4.335  -3.061
   30    HZ   PHE   4           HZ       PHE   4 -18.206   2.418  -3.330
   31    HA   PRO   5           HA       PRO   5 -10.144   0.424   2.850
   32   1HB   PRO   5          2HB       PRO   5  -7.793   0.317   1.450
   33   2HB   PRO   5          1HB       PRO   5  -8.839  -1.075   1.743
   34   1HG   PRO   5          2HG       PRO   5  -8.618   0.647  -0.694
   35   2HG   PRO   5          1HG       PRO   5  -8.806  -1.113  -0.577
   36   1HD   PRO   5          2HD       PRO   5 -10.876   0.503  -1.166
   37   2HD   PRO   5          1HD       PRO   5 -11.082  -0.974  -0.202
   38    H    ILE   6           H        ILE   6  -8.198   1.532   3.665
   39    HA   ILE   6           HA       ILE   6  -8.476   4.377   3.322
   40    HB   ILE   6           HB       ILE   6  -6.684   4.482   5.082
   41   1HG1  ILE   6          2HG1      ILE   6  -7.026   1.476   4.993
   42   2HG1  ILE   6          1HG1      ILE   6  -5.556   2.376   4.632
   43   1HG2  ILE   6          1HG2      ILE   6  -8.551   2.788   6.456
   44   2HG2  ILE   6          2HG2      ILE   6  -9.395   3.789   5.274
   45   3HG2  ILE   6          3HG2      ILE   6  -8.386   4.542   6.509
   46   1HD1  ILE   6          1HD1      ILE   6  -6.634   1.498   7.183
   47   2HD1  ILE   6          2HD1      ILE   6  -6.170   3.199   7.177
   48   3HD1  ILE   6          3HD1      ILE   6  -4.990   1.962   6.742
   49    H    CYS   7           H        CYS   7  -6.232   1.867   2.429
   50    HA   CYS   7           HA       CYS   7  -4.432   1.807   1.057
   51   1HB   CYS   7          2HB       CYS   7  -5.963   2.868  -0.543
   52   2HB   CYS   7          1HB       CYS   7  -5.507   4.456   0.068
   53    H    ILE   8           H        ILE   8  -3.740   2.506   3.535
   54    HA   ILE   8           HA       ILE   8  -2.447   4.948   3.931
   55    HB   ILE   8           HB       ILE   8  -1.006   3.721   5.577
   56   1HG1  ILE   8          2HG1      ILE   8  -2.645   1.338   4.682
   57   2HG1  ILE   8          1HG1      ILE   8  -0.932   1.570   4.354
   58   1HG2  ILE   8          1HG2      ILE   8  -3.631   2.736   6.324
   59   2HG2  ILE   8          2HG2      ILE   8  -3.684   4.378   5.680
   60   3HG2  ILE   8          3HG2      ILE   8  -2.645   4.004   7.055
   61   1HD1  ILE   8          1HD1      ILE   8  -0.415   0.636   6.289
   62   2HD1  ILE   8          2HD1      ILE   8  -2.128   0.324   6.567
   63   3HD1  ILE   8          3HD1      ILE   8  -1.395   1.815   7.159
   64    H    PHE   9           H        PHE   9  -0.439   5.735   3.478
   65    HA   PHE   9           HA       PHE   9   0.903   4.852   1.190
   66   1HB   PHE   9          2HB       PHE   9   1.039   7.156   2.088
   67   2HB   PHE   9          1HB       PHE   9   2.002   6.560   3.436
   68    HD1  PHE   9           1HD      PHE   9   2.117   5.956  -0.248
   69    HD2  PHE   9           2HD      PHE   9   4.166   7.286   3.238
   70    HE1  PHE   9           1HE      PHE   9   4.161   6.277  -1.578
   71    HE2  PHE   9           2HE      PHE   9   6.214   7.610   1.914
   72    HZ   PHE   9           HZ       PHE   9   6.213   7.106  -0.498
   73    H    CYS  10           H        CYS  10   2.648   3.546   0.838
   74    HA   CYS  10           HA       CYS  10   4.099   2.454   3.117
   75   1HB   CYS  10          2HB       CYS  10   3.753   0.124   2.312
   76   2HB   CYS  10          1HB       CYS  10   2.270   0.885   2.879
   77    H    CYS  11           H        CYS  11   6.199   2.516   2.656
   78    HA   CYS  11           HA       CYS  11   7.059   1.998  -0.103
   79   1HB   CYS  11          2HB       CYS  11   6.999   4.439   0.229
   80   2HB   CYS  11          1HB       CYS  11   8.059   4.274   1.623
   81    H    GLY  12           H        GLY  12   8.632   0.527  -0.211
   82   1HA   GLY  12          2HA       GLY  12   9.756  -0.603   2.159
   83   2HA   GLY  12          1HA       GLY  12  10.193  -1.014   0.506
   84    H    CYS  13           H        CYS  13  11.513  -0.089   3.215
   85    HA   CYS  13           HA       CYS  13  12.953   2.233   2.899
   86   1HB   CYS  13          2HB       CYS  13  13.157   1.314   5.015
   87   2HB   CYS  13          1HB       CYS  13  13.477  -0.304   4.396
   88    H    CYS  14           H        CYS  14  14.689  -0.715   2.922
   89    HA   CYS  14           HA       CYS  14  16.563   0.354   0.977
   90   1HB   CYS  14          2HB       CYS  14  17.561  -1.866   2.430
   91   2HB   CYS  14          1HB       CYS  14  17.985  -0.163   2.609
   92    H    HIS  15           H        HIS  15  15.550  -2.959   1.952
   93    HA   HIS  15           HA       HIS  15  16.418  -4.122  -0.444
   94   1HB   HIS  15          2HB       HIS  15  14.868  -6.024   0.181
   95   2HB   HIS  15          1HB       HIS  15  16.045  -5.573   1.407
   96    HD1  HIS  15           1HD      HIS  15  12.397  -4.784   0.618
   97    HD2  HIS  15           2HD      HIS  15  14.946  -5.320   3.853
   98    HE1  HIS  15           1HE      HIS  15  10.936  -4.620   2.658
   99    HE2  HIS  15           2HE      HIS  15  12.501  -4.940   4.605
  100    H    ARG  16           H        ARG  16  13.153  -3.180   0.566
  101    HA   ARG  16           HA       ARG  16  12.224  -3.357  -2.192
  102   1HB   ARG  16          2HB       ARG  16  10.977  -3.489   0.444
  103   2HB   ARG  16          1HB       ARG  16  10.103  -2.444  -0.667
  104   1HG   ARG  16          2HG       ARG  16   9.233  -4.698  -0.745
  105   2HG   ARG  16          1HG       ARG  16   9.978  -4.263  -2.284
  106   1HD   ARG  16          2HD       ARG  16  11.977  -5.506  -1.705
  107   2HD   ARG  16          1HD       ARG  16  11.317  -5.872  -0.110
  108    HE   ARG  16           HE       ARG  16   9.519  -6.817  -2.029
  109   1HH1  ARG  16          1HH1      ARG  16  12.764  -7.452  -0.924
  110   2HH1  ARG  16          2HH1      ARG  16  12.707  -9.136  -1.322
  111   1HH2  ARG  16          1HH2      ARG  16   9.439  -9.035  -2.557
  112   2HH2  ARG  16          2HH2      ARG  16  10.820 -10.035  -2.251
  113    H    SER  17           H        SER  17  14.024  -1.372  -2.093
  114    HA   SER  17           HA       SER  17  13.185   1.159  -1.277
  115   1HB   SER  17          2HB       SER  17  15.046   0.352  -3.518
  116   2HB   SER  17          1HB       SER  17  14.821   2.017  -2.987
  117    HG   SER  17           HG       SER  17  16.578   0.508  -2.041
  118    H    LYS  18           H        LYS  18  10.898   0.748  -1.941
  119    HA   LYS  18           HA       LYS  18  10.389   2.167  -4.442
  120   1HB   LYS  18          2HB       LYS  18   9.064  -0.474  -3.798
  121   2HB   LYS  18          1HB       LYS  18   8.707   0.550  -5.182
  122   1HG   LYS  18          2HG       LYS  18  10.917   0.173  -6.080
  123   2HG   LYS  18          1HG       LYS  18  11.367  -0.756  -4.650
  124   1HD   LYS  18          2HD       LYS  18  10.827  -2.261  -6.469
  125   2HD   LYS  18          1HD       LYS  18   9.609  -2.401  -5.201
  126   1HE   LYS  18          2HE       LYS  18   8.116  -0.942  -6.481
  127   2HE   LYS  18          1HE       LYS  18   9.337  -0.804  -7.747
  128   1HZ   LYS  18          1HZ       LYS  18   9.073  -3.471  -7.494
  129   2HZ   LYS  18          2HZ       LYS  18   8.263  -2.531  -8.643
  130   3HZ   LYS  18          3HZ       LYS  18   7.490  -2.951  -7.199
  131    H    CYS  19           H        CYS  19   8.823   3.643  -4.197
  132    HA   CYS  19           HA       CYS  19   7.192   3.514  -1.762
  133   1HB   CYS  19          2HB       CYS  19   7.961   5.828  -3.539
  134   2HB   CYS  19          1HB       CYS  19   6.752   5.959  -2.267
  135    H    GLY  20           H        GLY  20   4.998   3.472  -1.821
  136   1HA   GLY  20          2HA       GLY  20   3.436   4.181  -4.078
  137   2HA   GLY  20          1HA       GLY  20   3.676   2.441  -4.041
  138    H    MET  21           H        MET  21   1.234   4.081  -3.709
  139    HA   MET  21           HA       MET  21   0.452   3.917  -0.966
  140   1HB   MET  21          2HB       MET  21  -1.248   4.220  -3.449
  141   2HB   MET  21          1HB       MET  21  -1.781   4.502  -1.797
  142   1HG   MET  21          2HG       MET  21  -0.193   6.338  -1.590
  143   2HG   MET  21          1HG       MET  21   0.359   6.051  -3.239
  144   1HE   MET  21          1HE       MET  21  -3.163   6.295  -4.967
  145   2HE   MET  21          2HE       MET  21  -1.663   5.375  -4.845
  146   3HE   MET  21          3HE       MET  21  -1.654   6.984  -5.567
  147    H    CYS  22           H        CYS  22  -0.412   2.241   0.124
  148    HA   CYS  22           HA       CYS  22  -0.664  -0.306  -1.203
  149   1HB   CYS  22          2HB       CYS  22  -0.726   0.625   1.629
  150   2HB   CYS  22          1HB       CYS  22  -1.459  -0.928   1.246
  151    H    CYS  23           H        CYS  23  -2.493   1.008  -2.481
  152    HA   CYS  23           HA       CYS  23  -5.064   1.096  -1.257
  153   1HB   CYS  23          2HB       CYS  23  -4.174   1.242  -4.136
  154   2HB   CYS  23          1HB       CYS  23  -5.869   1.303  -3.665
  155    H    LYS  24           H        LYS  24  -5.050  -1.058  -0.349
  156    HA   LYS  24           HA       LYS  24  -5.152  -3.364  -2.038
  157   1HB   LYS  24          2HB       LYS  24  -5.977  -3.010   0.849
  158   2HB   LYS  24          1HB       LYS  24  -5.848  -4.554   0.020
  159   1HG   LYS  24          2HG       LYS  24  -3.454  -4.163  -0.321
  160   2HG   LYS  24          1HG       LYS  24  -3.593  -2.628   0.540
  161   1HD   LYS  24          2HD       LYS  24  -4.330  -3.824   2.547
  162   2HD   LYS  24          1HD       LYS  24  -4.190  -5.357   1.684
  163   1HE   LYS  24          2HE       LYS  24  -1.796  -4.973   1.385
  164   2HE   LYS  24          1HE       LYS  24  -1.933  -3.434   2.233
  165   1HZ   LYS  24          1HZ       LYS  24  -2.591  -6.067   3.437
  166   2HZ   LYS  24          2HZ       LYS  24  -2.531  -4.574   4.232
  167   3HZ   LYS  24          3HZ       LYS  24  -1.111  -5.272   3.637
  168    H    THR  25           H        THR  25  -6.954  -1.680  -3.156
  169    HA   THR  25           HA       THR  25  -9.600  -1.860  -2.246
  170    HB   THR  25           HB       THR  25 -10.266  -1.243  -4.526
  171    HG1  THR  25           1HG      THR  25  -7.580  -1.209  -5.352
  172   1HG2  THR  25          1HG2      THR  25  -7.915   0.467  -4.346
  173   2HG2  THR  25          2HG2      THR  25  -8.717   0.249  -2.791
  174   3HG2  THR  25          3HG2      THR  25  -9.622   0.872  -4.170
  Start of MODEL    3
    1   1H    ASP   1          1HT       ASP   1  -9.851  -5.721  -0.336
    2   2H    ASP   1          2HT       ASP   1  -8.452  -6.271  -1.108
    3   3H    ASP   1          3HT       ASP   1  -9.862  -7.204  -1.149
    4    HA   ASP   1           HA       ASP   1  -9.100  -4.913  -2.747
    5   1HB   ASP   1          2HB       ASP   1  -9.352  -7.276  -3.549
    6   2HB   ASP   1          1HB       ASP   1 -11.072  -7.171  -3.186
    7    H    THR   2           H        THR   2 -10.368  -4.002  -0.456
    8    HA   THR   2           HA       THR   2 -13.176  -3.641  -0.894
    9    HB   THR   2           HB       THR   2 -13.052  -2.013   0.973
   10    HG1  THR   2           1HG      THR   2 -10.588  -2.523   1.837
   11   1HG2  THR   2          1HG2      THR   2 -11.890  -4.761   1.246
   12   2HG2  THR   2          2HG2      THR   2 -13.481  -4.171   1.725
   13   3HG2  THR   2          3HG2      THR   2 -12.055  -3.717   2.658
   14    H    HIS   3           H        HIS   3 -14.255  -1.702  -1.386
   15    HA   HIS   3           HA       HIS   3 -13.235  -0.302  -3.579
   16   1HB   HIS   3          2HB       HIS   3 -15.529   0.438  -1.764
   17   2HB   HIS   3          1HB       HIS   3 -15.229   1.118  -3.360
   18    HD1  HIS   3           1HD      HIS   3 -14.967  -1.046  -5.231
   19    HD2  HIS   3           2HD      HIS   3 -17.432  -1.457  -1.912
   20    HE1  HIS   3           1HE      HIS   3 -16.572  -2.894  -5.810
   21    HE2  HIS   3           2HE      HIS   3 -18.007  -3.173  -3.759
   22    H    PHE   4           H        PHE   4 -13.456   0.685  -0.161
   23    HA   PHE   4           HA       PHE   4 -11.572   2.846  -0.786
   24   1HB   PHE   4          2HB       PHE   4 -13.840   3.815  -0.775
   25   2HB   PHE   4          1HB       PHE   4 -14.081   3.218   0.862
   26    HD1  PHE   4           1HD      PHE   4 -14.280   5.098   2.186
   27    HD2  PHE   4           2HD      PHE   4 -11.121   4.892  -0.659
   28    HE1  PHE   4           1HE      PHE   4 -13.339   7.185   3.086
   29    HE2  PHE   4           2HE      PHE   4 -10.173   6.978   0.236
   30    HZ   PHE   4           HZ       PHE   4 -11.282   8.127   2.111
   31    HA   PRO   5           HA       PRO   5 -10.419   0.540   3.101
   32   1HB   PRO   5          2HB       PRO   5  -7.984  -0.306   2.302
   33   2HB   PRO   5          1HB       PRO   5  -9.460  -1.209   1.951
   34   1HG   PRO   5          2HG       PRO   5  -7.864   0.577   0.175
   35   2HG   PRO   5          1HG       PRO   5  -8.690  -0.942  -0.210
   36   1HD   PRO   5          2HD       PRO   5  -9.676   1.562  -0.785
   37   2HD   PRO   5          1HD       PRO   5 -10.672   0.105  -0.606
   38    H    ILE   6           H        ILE   6  -7.449   0.652   3.305
   39    HA   ILE   6           HA       ILE   6  -7.261   3.400   4.237
   40    HB   ILE   6           HB       ILE   6  -5.115   2.644   5.261
   41   1HG1  ILE   6          2HG1      ILE   6  -5.989  -0.064   4.224
   42   2HG1  ILE   6          1HG1      ILE   6  -4.591   0.847   3.664
   43   1HG2  ILE   6          1HG2      ILE   6  -7.755   2.071   6.010
   44   2HG2  ILE   6          2HG2      ILE   6  -6.341   2.196   7.056
   45   3HG2  ILE   6          3HG2      ILE   6  -6.815   0.631   6.399
   46   1HD1  ILE   6          1HD1      ILE   6  -3.742   0.711   6.053
   47   2HD1  ILE   6          2HD1      ILE   6  -3.744  -0.782   5.114
   48   3HD1  ILE   6          3HD1      ILE   6  -5.004  -0.493   6.313
   49    H    CYS   7           H        CYS   7  -5.706   1.201   1.963
   50    HA   CYS   7           HA       CYS   7  -4.245   1.522   0.254
   51   1HB   CYS   7          2HB       CYS   7  -5.527   4.260   0.277
   52   2HB   CYS   7          1HB       CYS   7  -4.486   3.660  -1.009
   53    H    ILE   8           H        ILE   8  -3.060   1.747   2.733
   54    HA   ILE   8           HA       ILE   8  -1.612   4.062   3.257
   55    HB   ILE   8           HB       ILE   8   0.048   2.628   4.395
   56   1HG1  ILE   8          2HG1      ILE   8  -1.612   0.332   3.329
   57   2HG1  ILE   8          1HG1      ILE   8   0.002   0.755   2.769
   58   1HG2  ILE   8          1HG2      ILE   8  -1.534   3.008   5.937
   59   2HG2  ILE   8          2HG2      ILE   8  -1.915   1.303   5.701
   60   3HG2  ILE   8          3HG2      ILE   8  -2.847   2.540   4.857
   61   1HD1  ILE   8          1HD1      ILE   8   0.627  -0.814   4.243
   62   2HD1  ILE   8          2HD1      ILE   8  -0.852  -0.664   5.193
   63   3HD1  ILE   8          3HD1      ILE   8   0.459   0.497   5.411
   64    H    PHE   9           H        PHE   9   0.068   5.052   2.337
   65    HA   PHE   9           HA       PHE   9   1.017   4.194  -0.198
   66   1HB   PHE   9          2HB       PHE   9   0.825   6.584   0.507
   67   2HB   PHE   9          1HB       PHE   9   2.180   6.334   1.600
   68    HD1  PHE   9           1HD      PHE   9   3.708   7.864   0.672
   69    HD2  PHE   9           2HD      PHE   9   1.879   4.928  -1.807
   70    HE1  PHE   9           1HE      PHE   9   5.266   8.431  -1.146
   71    HE2  PHE   9           2HE      PHE   9   3.435   5.486  -3.628
   72    HZ   PHE   9           HZ       PHE   9   5.132   7.241  -3.299
   73    H    CYS  10           H        CYS  10   1.843   2.135   0.167
   74    HA   CYS  10           HA       CYS  10   3.976   1.616   1.992
   75   1HB   CYS  10          2HB       CYS  10   2.932   0.045  -0.370
   76   2HB   CYS  10          1HB       CYS  10   4.138  -0.554   0.760
   77    H    CYS  11           H        CYS  11   5.190   3.590   1.156
   78    HA   CYS  11           HA       CYS  11   6.729   3.022  -1.266
   79   1HB   CYS  11          2HB       CYS  11   5.579   5.241  -0.953
   80   2HB   CYS  11          1HB       CYS  11   6.684   5.560   0.375
   81    H    GLY  12           H        GLY  12   7.845   1.308  -0.078
   82   1HA   GLY  12          2HA       GLY  12   9.567   1.788   2.099
   83   2HA   GLY  12          1HA       GLY  12   9.755   0.490   0.927
   84    H    CYS  13           H        CYS  13  11.296   2.988   2.257
   85    HA   CYS  13           HA       CYS  13  12.443   4.409   0.106
   86   1HB   CYS  13          2HB       CYS  13  13.913   5.368   1.706
   87   2HB   CYS  13          1HB       CYS  13  12.391   5.101   2.548
   88    H    CYS  14           H        CYS  14  13.807   1.922   2.179
   89    HA   CYS  14           HA       CYS  14  15.996   1.647   0.259
   90   1HB   CYS  14          2HB       CYS  14  16.123   1.120   3.207
   91   2HB   CYS  14          1HB       CYS  14  17.421   1.586   2.104
   92    H    HIS  15           H        HIS  15  15.264  -0.403   3.072
   93    HA   HIS  15           HA       HIS  15  16.013  -2.781   1.903
   94   1HB   HIS  15          2HB       HIS  15  15.523  -2.528   4.315
   95   2HB   HIS  15          1HB       HIS  15  13.805  -2.415   3.947
   96    HD1  HIS  15           1HD      HIS  15  13.043  -4.697   2.390
   97    HD2  HIS  15           2HD      HIS  15  16.143  -5.014   5.139
   98    HE1  HIS  15           1HE      HIS  15  13.247  -7.153   2.893
   99    HE2  HIS  15           2HE      HIS  15  15.078  -7.313   4.615
  100    H    ARG  16           H        ARG  16  12.647  -1.756   2.360
  101    HA   ARG  16           HA       ARG  16  11.812  -3.477   0.163
  102   1HB   ARG  16          2HB       ARG  16   9.509  -2.794   0.891
  103   2HB   ARG  16          1HB       ARG  16  10.441  -3.633   2.122
  104   1HG   ARG  16          2HG       ARG  16  11.038  -1.336   3.021
  105   2HG   ARG  16          1HG       ARG  16   9.775  -0.711   1.958
  106   1HD   ARG  16          2HD       ARG  16   9.424  -2.774   4.131
  107   2HD   ARG  16          1HD       ARG  16   8.910  -1.089   4.204
  108    HE   ARG  16           HE       ARG  16   7.493  -3.232   3.029
  109   1HH1  ARG  16          1HH1      ARG  16   8.217   0.146   2.560
  110   2HH1  ARG  16          2HH1      ARG  16   6.778   0.457   1.647
  111   1HH2  ARG  16          1HH2      ARG  16   5.601  -2.828   1.833
  112   2HH2  ARG  16          2HH2      ARG  16   5.294  -1.233   1.234
  113    H    SER  17           H        SER  17  13.335  -1.744  -0.937
  114    HA   SER  17           HA       SER  17  12.480   0.823  -1.551
  115   1HB   SER  17          2HB       SER  17  14.052   0.687  -3.458
  116   2HB   SER  17          1HB       SER  17  14.759   0.086  -1.959
  117    HG   SER  17           HG       SER  17  15.245  -1.477  -3.362
  118    H    LYS  18           H        LYS  18  10.164   0.085  -1.776
  119    HA   LYS  18           HA       LYS  18   9.498   0.254  -4.576
  120   1HB   LYS  18          2HB       LYS  18   7.735  -1.577  -4.334
  121   2HB   LYS  18          1HB       LYS  18   9.401  -2.082  -4.538
  122   1HG   LYS  18          2HG       LYS  18   8.427  -3.493  -2.910
  123   2HG   LYS  18          1HG       LYS  18   9.517  -2.400  -2.059
  124   1HD   LYS  18          2HD       LYS  18   7.797  -1.242  -1.067
  125   2HD   LYS  18          1HD       LYS  18   6.639  -1.666  -2.330
  126   1HE   LYS  18          2HE       LYS  18   6.172  -2.807  -0.196
  127   2HE   LYS  18          1HE       LYS  18   6.517  -3.937  -1.504
  128   1HZ   LYS  18          1HZ       LYS  18   8.020  -3.386   0.919
  129   2HZ   LYS  18          2HZ       LYS  18   8.946  -3.615  -0.478
  130   3HZ   LYS  18          3HZ       LYS  18   7.876  -4.820   0.034
  131    H    CYS  19           H        CYS  19   7.604   1.364  -4.943
  132    HA   CYS  19           HA       CYS  19   6.140   2.162  -2.518
  133   1HB   CYS  19          2HB       CYS  19   6.854   3.940  -4.854
  134   2HB   CYS  19          1HB       CYS  19   5.940   4.423  -3.425
  135    H    GLY  20           H        GLY  20   4.011   2.026  -2.554
  136   1HA   GLY  20          2HA       GLY  20   2.351   2.386  -4.793
  137   2HA   GLY  20          1HA       GLY  20   2.650   0.665  -4.596
  138    H    MET  21           H        MET  21   0.209   2.422  -4.243
  139    HA   MET  21           HA       MET  21  -0.439   2.522  -1.498
  140   1HB   MET  21          2HB       MET  21  -2.246   2.400  -3.916
  141   2HB   MET  21          1HB       MET  21  -2.778   2.784  -2.284
  142   1HG   MET  21          2HG       MET  21  -1.345   4.758  -2.277
  143   2HG   MET  21          1HG       MET  21  -0.805   4.374  -3.911
  144   1HE   MET  21          1HE       MET  21  -4.378   4.280  -5.612
  145   2HE   MET  21          2HE       MET  21  -2.919   3.331  -5.331
  146   3HE   MET  21          3HE       MET  21  -2.826   4.844  -6.232
  147    H    CYS  22           H        CYS  22  -1.009   0.997  -0.124
  148    HA   CYS  22           HA       CYS  22  -1.531  -1.708  -1.106
  149   1HB   CYS  22          2HB       CYS  22  -0.846  -0.631   1.632
  150   2HB   CYS  22          1HB       CYS  22  -1.266  -2.313   1.336
  151    H    CYS  23           H        CYS  23  -3.679  -0.517  -1.790
  152    HA   CYS  23           HA       CYS  23  -5.632   0.101   0.106
  153   1HB   CYS  23          2HB       CYS  23  -5.926  -0.921  -2.718
  154   2HB   CYS  23          1HB       CYS  23  -7.260  -0.303  -1.751
  155    H    LYS  24           H        LYS  24  -5.419  -2.917  -1.810
  156    HA   LYS  24           HA       LYS  24  -7.444  -4.245  -0.413
  157   1HB   LYS  24          2HB       LYS  24  -6.527  -6.316  -1.407
  158   2HB   LYS  24          1HB       LYS  24  -6.725  -5.021  -2.579
  159   1HG   LYS  24          2HG       LYS  24  -4.345  -4.543  -2.478
  160   2HG   LYS  24          1HG       LYS  24  -4.133  -5.809  -1.267
  161   1HD   LYS  24          2HD       LYS  24  -3.484  -6.655  -3.433
  162   2HD   LYS  24          1HD       LYS  24  -4.960  -7.465  -2.908
  163   1HE   LYS  24          2HE       LYS  24  -6.282  -5.967  -4.317
  164   2HE   LYS  24          1HE       LYS  24  -4.808  -5.150  -4.836
  165   1HZ   LYS  24          1HZ       LYS  24  -4.141  -7.574  -5.508
  166   2HZ   LYS  24          2HZ       LYS  24  -5.091  -6.621  -6.533
  167   3HZ   LYS  24          3HZ       LYS  24  -5.816  -7.802  -5.562
  168    H    THR  25           H        THR  25  -3.903  -4.552  -0.002
  169    HA   THR  25           HA       THR  25  -4.119  -6.318   2.213
  170    HB   THR  25           HB       THR  25  -1.727  -5.867   2.589
  171    HG1  THR  25           1HG      THR  25  -1.532  -4.257   0.331
  172   1HG2  THR  25          1HG2      THR  25  -0.939  -6.516   0.263
  173   2HG2  THR  25          2HG2      THR  25  -2.624  -6.376  -0.238
  174   3HG2  THR  25          3HG2      THR  25  -2.166  -7.554   0.991
  Start of MODEL    4
    1   1H    ASP   1          1HT       ASP   1  -7.680  -4.981  -5.203
    2   2H    ASP   1          2HT       ASP   1  -8.714  -4.291  -6.351
    3   3H    ASP   1          3HT       ASP   1  -9.309  -5.436  -5.257
    4    HA   ASP   1           HA       ASP   1  -8.247  -3.549  -3.630
    5   1HB   ASP   1          2HB       ASP   1  -7.941  -2.069  -5.554
    6   2HB   ASP   1          1HB       ASP   1  -9.640  -2.244  -5.981
    7    H    THR   2           H        THR   2  -9.646  -3.391  -1.976
    8    HA   THR   2           HA       THR   2 -12.133  -4.750  -2.085
    9    HB   THR   2           HB       THR   2 -12.474  -3.915   0.224
   10    HG1  THR   2           1HG      THR   2 -11.543  -1.932   0.276
   11   1HG2  THR   2          1HG2      THR   2  -9.821  -5.117  -0.522
   12   2HG2  THR   2          2HG2      THR   2 -11.256  -5.921   0.113
   13   3HG2  THR   2          3HG2      THR   2 -10.294  -4.878   1.160
   14    H    HIS   3           H        HIS   3 -13.463  -2.676  -0.285
   15    HA   HIS   3           HA       HIS   3 -14.581  -1.078  -2.484
   16   1HB   HIS   3          2HB       HIS   3 -16.134  -2.617  -1.310
   17   2HB   HIS   3          1HB       HIS   3 -15.832  -1.742   0.188
   18    HD1  HIS   3           1HD      HIS   3 -16.937  -0.766  -3.332
   19    HD2  HIS   3           2HD      HIS   3 -17.805   0.030   0.653
   20    HE1  HIS   3           1HE      HIS   3 -18.834   0.884  -3.374
   21    HE2  HIS   3           2HE      HIS   3 -19.397   1.287  -0.952
   22    H    PHE   4           H        PHE   4 -13.702  -0.829   0.959
   23    HA   PHE   4           HA       PHE   4 -12.908   1.940   0.514
   24   1HB   PHE   4          2HB       PHE   4 -15.272   2.062   1.226
   25   2HB   PHE   4          1HB       PHE   4 -14.868   1.168   2.687
   26    HD1  PHE   4           1HD      PHE   4 -13.197   4.025   0.959
   27    HD2  PHE   4           2HD      PHE   4 -15.074   2.573   4.493
   28    HE1  PHE   4           1HE      PHE   4 -12.660   6.133   2.106
   29    HE2  PHE   4           2HE      PHE   4 -14.540   4.680   5.644
   30    HZ   PHE   4           HZ       PHE   4 -13.331   6.463   4.452
   31    HA   PRO   5           HA       PRO   5 -10.175  -0.472   3.436
   32   1HB   PRO   5          2HB       PRO   5  -7.928  -0.490   1.974
   33   2HB   PRO   5          1HB       PRO   5  -9.217  -1.669   1.698
   34   1HG   PRO   5          2HG       PRO   5  -8.602   0.847   0.193
   35   2HG   PRO   5          1HG       PRO   5  -9.013  -0.758  -0.437
   36   1HD   PRO   5          2HD       PRO   5 -10.821   1.276  -0.210
   37   2HD   PRO   5          1HD       PRO   5 -11.264  -0.440  -0.128
   38    H    ILE   6           H        ILE   6  -7.382   0.562   2.811
   39    HA   ILE   6           HA       ILE   6  -7.683   3.311   3.820
   40    HB   ILE   6           HB       ILE   6  -5.576   2.892   5.150
   41   1HG1  ILE   6          2HG1      ILE   6  -6.295   0.011   4.561
   42   2HG1  ILE   6          1HG1      ILE   6  -4.844   0.850   4.025
   43   1HG2  ILE   6          1HG2      ILE   6  -6.760   2.051   7.038
   44   2HG2  ILE   6          2HG2      ILE   6  -7.924   1.213   6.011
   45   3HG2  ILE   6          3HG2      ILE   6  -7.911   2.976   6.072
   46   1HD1  ILE   6          1HD1      ILE   6  -4.615   1.216   6.665
   47   2HD1  ILE   6          2HD1      ILE   6  -3.958  -0.183   5.815
   48   3HD1  ILE   6          3HD1      ILE   6  -5.507  -0.305   6.650
   49    H    CYS   7           H        CYS   7  -5.803   0.970   2.034
   50    HA   CYS   7           HA       CYS   7  -4.308   1.147   0.348
   51   1HB   CYS   7          2HB       CYS   7  -6.070   2.728  -0.527
   52   2HB   CYS   7          1HB       CYS   7  -5.108   4.050   0.131
   53    H    ILE   8           H        ILE   8  -3.004   1.100   2.589
   54    HA   ILE   8           HA       ILE   8  -1.507   3.279   3.432
   55    HB   ILE   8           HB       ILE   8   0.176   1.660   4.233
   56   1HG1  ILE   8          2HG1      ILE   8  -1.528  -0.401   2.815
   57   2HG1  ILE   8          1HG1      ILE   8   0.072   0.120   2.296
   58   1HG2  ILE   8          1HG2      ILE   8  -1.256   1.578   5.926
   59   2HG2  ILE   8          2HG2      ILE   8  -1.893   0.095   5.215
   60   3HG2  ILE   8          3HG2      ILE   8  -2.644   1.647   4.839
   61   1HD1  ILE   8          1HD1      ILE   8  -0.621  -1.348   4.828
   62   2HD1  ILE   8          2HD1      ILE   8   0.982  -0.724   4.438
   63   3HD1  ILE   8          3HD1      ILE   8   0.255  -1.976   3.432
   64    H    PHE   9           H        PHE   9   0.194   4.382   2.643
   65    HA   PHE   9           HA       PHE   9   1.034   3.934  -0.049
   66   1HB   PHE   9          2HB       PHE   9   0.875   6.194   1.031
   67   2HB   PHE   9          1HB       PHE   9   2.278   5.776   2.006
   68    HD1  PHE   9           1HD      PHE   9   3.846   7.341   1.273
   69    HD2  PHE   9           2HD      PHE   9   1.728   4.994  -1.575
   70    HE1  PHE   9           1HE      PHE   9   5.323   8.177  -0.509
   71    HE2  PHE   9           2HE      PHE   9   3.203   5.820  -3.363
   72    HZ   PHE   9           HZ       PHE   9   5.002   7.416  -2.831
   73    H    CYS  10           H        CYS  10   1.936   1.897  -0.121
   74    HA   CYS  10           HA       CYS  10   4.043   1.080   1.635
   75   1HB   CYS  10          2HB       CYS  10   3.058  -0.106  -0.963
   76   2HB   CYS  10          1HB       CYS  10   4.199  -0.881   0.128
   77    H    CYS  11           H        CYS  11   5.239   3.215   1.057
   78    HA   CYS  11           HA       CYS  11   6.887   2.831  -1.335
   79   1HB   CYS  11          2HB       CYS  11   5.713   5.020  -1.044
   80   2HB   CYS  11          1HB       CYS  11   6.692   5.299   0.391
   81    H    GLY  12           H        GLY  12   7.990   1.099  -0.202
   82   1HA   GLY  12          2HA       GLY  12   9.617   1.602   2.070
   83   2HA   GLY  12          1HA       GLY  12   9.794   0.252   0.956
   84    H    CYS  13           H        CYS  13  11.226   2.964   2.146
   85    HA   CYS  13           HA       CYS  13  12.568   4.055  -0.097
   86   1HB   CYS  13          2HB       CYS  13  12.697   5.543   1.639
   87   2HB   CYS  13          1HB       CYS  13  12.787   4.276   2.857
   88    H    CYS  14           H        CYS  14  14.053   2.597   2.637
   89    HA   CYS  14           HA       CYS  14  16.263   1.667   1.011
   90   1HB   CYS  14          2HB       CYS  14  16.661   1.599   3.856
   91   2HB   CYS  14          1HB       CYS  14  17.446   2.615   2.646
   92    H    HIS  15           H        HIS  15  14.098   0.520   3.610
   93    HA   HIS  15           HA       HIS  15  15.183  -2.059   3.849
   94   1HB   HIS  15          2HB       HIS  15  13.519  -1.095   5.429
   95   2HB   HIS  15          1HB       HIS  15  12.285  -1.222   4.180
   96    HD1  HIS  15           1HD      HIS  15  12.268  -3.937   3.209
   97    HD2  HIS  15           2HD      HIS  15  13.278  -3.136   7.160
   98    HE1  HIS  15           1HE      HIS  15  11.891  -6.091   4.451
   99    HE2  HIS  15           2HE      HIS  15  12.434  -5.561   6.853
  100    H    ARG  16           H        ARG  16  11.938  -1.707   2.535
  101    HA   ARG  16           HA       ARG  16  12.627  -3.599   0.421
  102   1HB   ARG  16          2HB       ARG  16  10.210  -3.747   0.001
  103   2HB   ARG  16          1HB       ARG  16  10.587  -4.089   1.681
  104   1HG   ARG  16          2HG       ARG  16   9.666  -1.384   0.750
  105   2HG   ARG  16          1HG       ARG  16   8.548  -2.661   1.226
  106   1HD   ARG  16          2HD       ARG  16  10.652  -2.265   3.184
  107   2HD   ARG  16          1HD       ARG  16   9.740  -0.787   2.889
  108    HE   ARG  16           HE       ARG  16   8.010  -1.708   4.041
  109   1HH1  ARG  16          1HH1      ARG  16  10.063  -4.309   2.947
  110   2HH1  ARG  16          2HH1      ARG  16   9.118  -5.541   3.713
  111   1HH2  ARG  16          1HH2      ARG  16   6.774  -3.324   5.050
  112   2HH2  ARG  16          2HH2      ARG  16   7.253  -4.982   4.907
  113    H    SER  17           H        SER  17  13.326  -2.770  -1.447
  114    HA   SER  17           HA       SER  17  12.979  -0.007  -2.095
  115   1HB   SER  17          2HB       SER  17  14.126  -2.282  -3.734
  116   2HB   SER  17          1HB       SER  17  14.217  -0.575  -4.170
  117    HG   SER  17           HG       SER  17  15.117  -0.688  -1.737
  118    H    LYS  18           H        LYS  18  10.524  -0.424  -1.900
  119    HA   LYS  18           HA       LYS  18   9.516  -0.524  -4.633
  120   1HB   LYS  18          2HB       LYS  18   7.683  -2.082  -4.040
  121   2HB   LYS  18          1HB       LYS  18   9.271  -2.832  -3.970
  122   1HG   LYS  18          2HG       LYS  18   9.271  -2.567  -1.528
  123   2HG   LYS  18          1HG       LYS  18   7.656  -1.861  -1.620
  124   1HD   LYS  18          2HD       LYS  18   6.795  -3.934  -2.580
  125   2HD   LYS  18          1HD       LYS  18   8.413  -4.640  -2.525
  126   1HE   LYS  18          2HE       LYS  18   8.420  -4.414  -0.084
  127   2HE   LYS  18          1HE       LYS  18   6.799  -3.722  -0.147
  128   1HZ   LYS  18          1HZ       LYS  18   6.058  -5.832  -1.185
  129   2HZ   LYS  18          2HZ       LYS  18   6.619  -6.020   0.399
  130   3HZ   LYS  18          3HZ       LYS  18   7.595  -6.480  -0.904
  131    H    CYS  19           H        CYS  19   8.059   1.025  -4.975
  132    HA   CYS  19           HA       CYS  19   6.595   2.070  -2.652
  133   1HB   CYS  19          2HB       CYS  19   7.949   3.634  -4.845
  134   2HB   CYS  19          1HB       CYS  19   6.712   4.335  -3.806
  135    H    GLY  20           H        GLY  20   4.468   2.204  -2.859
  136   1HA   GLY  20          2HA       GLY  20   3.051   2.843  -5.176
  137   2HA   GLY  20          1HA       GLY  20   3.157   1.090  -5.096
  138    H    MET  21           H        MET  21   0.854   2.954  -4.859
  139    HA   MET  21           HA       MET  21  -0.035   2.984  -2.168
  140   1HB   MET  21          2HB       MET  21  -1.659   3.120  -4.717
  141   2HB   MET  21          1HB       MET  21  -2.221   3.569  -3.113
  142   1HG   MET  21          2HG       MET  21  -0.589   5.366  -3.025
  143   2HG   MET  21          1HG       MET  21   0.017   4.904  -4.615
  144   1HE   MET  21          1HE       MET  21  -2.989   5.685  -2.578
  145   2HE   MET  21          2HE       MET  21  -4.144   5.239  -3.834
  146   3HE   MET  21          3HE       MET  21  -3.854   6.939  -3.464
  147    H    CYS  22           H        CYS  22  -0.664   1.326  -0.974
  148    HA   CYS  22           HA       CYS  22  -1.367  -1.204  -2.230
  149   1HB   CYS  22          2HB       CYS  22  -0.756  -0.390   0.603
  150   2HB   CYS  22          1HB       CYS  22  -1.433  -1.969   0.224
  151    H    CYS  23           H        CYS  23  -3.315   0.423  -2.901
  152    HA   CYS  23           HA       CYS  23  -5.404   0.859  -1.109
  153   1HB   CYS  23          2HB       CYS  23  -5.343   0.529  -4.095
  154   2HB   CYS  23          1HB       CYS  23  -6.845   0.833  -3.232
  155    H    LYS  24           H        LYS  24  -4.750  -1.959  -3.164
  156    HA   LYS  24           HA       LYS  24  -7.148  -3.308  -2.722
  157   1HB   LYS  24          2HB       LYS  24  -5.964  -5.338  -3.383
  158   2HB   LYS  24          1HB       LYS  24  -5.552  -3.991  -4.434
  159   1HG   LYS  24          2HG       LYS  24  -3.446  -3.690  -3.219
  160   2HG   LYS  24          1HG       LYS  24  -3.860  -5.053  -2.178
  161   1HD   LYS  24          2HD       LYS  24  -2.347  -5.810  -3.892
  162   2HD   LYS  24          1HD       LYS  24  -3.942  -6.501  -4.192
  163   1HE   LYS  24          2HE       LYS  24  -2.953  -5.724  -6.269
  164   2HE   LYS  24          1HE       LYS  24  -4.372  -4.759  -5.865
  165   1HZ   LYS  24          1HZ       LYS  24  -1.999  -3.733  -6.547
  166   2HZ   LYS  24          2HZ       LYS  24  -1.863  -3.725  -4.861
  167   3HZ   LYS  24          3HZ       LYS  24  -3.146  -2.916  -5.609
  168    H    THR  25           H        THR  25  -4.104  -3.504  -0.882
  169    HA   THR  25           HA       THR  25  -5.049  -5.430   0.970
  170    HB   THR  25           HB       THR  25  -3.116  -4.820   2.348
  171    HG1  THR  25           1HG      THR  25  -2.729  -2.741   0.434
  172   1HG2  THR  25          1HG2      THR  25  -2.882  -5.359  -0.551
  173   2HG2  THR  25          2HG2      THR  25  -2.303  -6.296   0.827
  174   3HG2  THR  25          3HG2      THR  25  -1.402  -4.881   0.281
  Start of MODEL    5
    1   1H    ASP   1          1HT       ASP   1  -6.625  -7.396  -0.220
    2   2H    ASP   1          2HT       ASP   1  -6.224  -5.900   0.462
    3   3H    ASP   1          3HT       ASP   1  -7.380  -5.985  -0.769
    4    HA   ASP   1           HA       ASP   1  -7.931  -7.605   1.563
    5   1HB   ASP   1          2HB       ASP   1  -6.891  -5.468   2.433
    6   2HB   ASP   1          1HB       ASP   1  -8.227  -4.596   1.689
    7    H    THR   2           H        THR   2 -10.170  -5.380   1.826
    8    HA   THR   2           HA       THR   2 -12.027  -6.757   0.122
    9    HB   THR   2           HB       THR   2 -12.668  -4.232   1.637
   10    HG1  THR   2           1HG      THR   2 -12.347  -5.252   3.465
   11   1HG2  THR   2          1HG2      THR   2 -14.550  -6.417   1.804
   12   2HG2  THR   2          2HG2      THR   2 -14.172  -6.046   0.123
   13   3HG2  THR   2          3HG2      THR   2 -14.788  -4.782   1.186
   14    H    HIS   3           H        HIS   3 -13.474  -3.981  -0.151
   15    HA   HIS   3           HA       HIS   3 -11.957  -3.074  -2.503
   16   1HB   HIS   3          2HB       HIS   3 -14.967  -3.309  -2.276
   17   2HB   HIS   3          1HB       HIS   3 -14.084  -2.691  -3.668
   18    HD1  HIS   3           1HD      HIS   3 -12.158  -4.651  -4.481
   19    HD2  HIS   3           2HD      HIS   3 -15.712  -5.861  -2.702
   20    HE1  HIS   3           1HE      HIS   3 -12.466  -7.052  -5.161
   21    HE2  HIS   3           2HE      HIS   3 -14.645  -7.753  -4.105
   22    H    PHE   4           H        PHE   4 -12.146  -2.098   0.311
   23    HA   PHE   4           HA       PHE   4 -12.704   0.692  -0.344
   24   1HB   PHE   4          2HB       PHE   4 -13.862  -0.631   2.122
   25   2HB   PHE   4          1HB       PHE   4 -14.006   1.067   1.689
   26    HD1  PHE   4           1HD      PHE   4 -14.991  -2.359   0.698
   27    HD2  PHE   4           2HD      PHE   4 -15.712   1.813   0.254
   28    HE1  PHE   4           1HE      PHE   4 -17.074  -2.851  -0.516
   29    HE2  PHE   4           2HE      PHE   4 -17.797   1.327  -0.958
   30    HZ   PHE   4           HZ       PHE   4 -18.480  -1.009  -1.344
   31    HA   PRO   5           HA       PRO   5  -8.917  -0.235   2.349
   32   1HB   PRO   5          2HB       PRO   5  -7.031   0.673   0.617
   33   2HB   PRO   5          1HB       PRO   5  -7.591  -1.003   0.641
   34   1HG   PRO   5          2HG       PRO   5  -8.401   1.240  -1.170
   35   2HG   PRO   5          1HG       PRO   5  -8.045  -0.450  -1.572
   36   1HD   PRO   5          2HD       PRO   5 -10.572   0.478  -1.331
   37   2HD   PRO   5          1HD       PRO   5 -10.125  -1.183  -0.895
   38    H    ILE   6           H        ILE   6  -6.850   1.769   1.643
   39    HA   ILE   6           HA       ILE   6  -8.231   4.272   2.300
   40    HB   ILE   6           HB       ILE   6  -6.405   4.787   3.944
   41   1HG1  ILE   6          2HG1      ILE   6  -5.877   1.819   3.648
   42   2HG1  ILE   6          1HG1      ILE   6  -4.770   3.122   3.227
   43   1HG2  ILE   6          1HG2      ILE   6  -8.386   4.347   5.000
   44   2HG2  ILE   6          2HG2      ILE   6  -7.395   3.044   5.655
   45   3HG2  ILE   6          3HG2      ILE   6  -8.511   2.721   4.329
   46   1HD1  ILE   6          1HD1      ILE   6  -4.400   1.870   5.424
   47   2HD1  ILE   6          2HD1      ILE   6  -5.778   2.791   6.025
   48   3HD1  ILE   6          3HD1      ILE   6  -4.337   3.633   5.453
   49    H    CYS   7           H        CYS   7  -5.400   2.635   1.057
   50    HA   CYS   7           HA       CYS   7  -3.803   3.230  -0.430
   51   1HB   CYS   7          2HB       CYS   7  -5.742   5.448  -1.077
   52   2HB   CYS   7          1HB       CYS   7  -4.342   5.015  -2.051
   53    H    ILE   8           H        ILE   8  -3.225   3.933   2.095
   54    HA   ILE   8           HA       ILE   8  -2.378   6.697   2.223
   55    HB   ILE   8           HB       ILE   8  -1.379   6.077   4.388
   56   1HG1  ILE   8          2HG1      ILE   8  -2.430   3.305   3.762
   57   2HG1  ILE   8          1HG1      ILE   8  -0.732   3.768   3.792
   58   1HG2  ILE   8          1HG2      ILE   8  -3.443   5.679   5.562
   59   2HG2  ILE   8          2HG2      ILE   8  -4.192   5.030   4.103
   60   3HG2  ILE   8          3HG2      ILE   8  -3.759   6.737   4.187
   61   1HD1  ILE   8          1HD1      ILE   8  -2.561   3.952   6.170
   62   2HD1  ILE   8          2HD1      ILE   8  -0.810   4.158   6.141
   63   3HD1  ILE   8          3HD1      ILE   8  -1.517   2.574   5.822
   64    H    PHE   9           H        PHE   9  -0.316   7.464   2.001
   65    HA   PHE   9           HA       PHE   9   1.449   6.241   0.258
   66   1HB   PHE   9          2HB       PHE   9   1.501   8.639   0.768
   67   2HB   PHE   9          1HB       PHE   9   2.074   8.291   2.395
   68    HD1  PHE   9           1HD      PHE   9   3.093   7.058  -0.983
   69    HD2  PHE   9           2HD      PHE   9   4.237   9.001   2.627
   70    HE1  PHE   9           1HE      PHE   9   5.418   7.164  -1.780
   71    HE2  PHE   9           2HE      PHE   9   6.564   9.112   1.835
   72    HZ   PHE   9           HZ       PHE   9   7.157   8.193  -0.372
   73    H    CYS  10           H        CYS  10   3.134   4.852   0.429
   74    HA   CYS  10           HA       CYS  10   4.322   4.229   2.986
   75   1HB   CYS  10          2HB       CYS  10   3.436   2.188   3.384
   76   2HB   CYS  10          1HB       CYS  10   2.120   2.743   2.361
   77    H    CYS  11           H        CYS  11   6.386   3.458   2.766
   78    HA   CYS  11           HA       CYS  11   7.258   2.778   0.038
   79   1HB   CYS  11          2HB       CYS  11   7.894   5.097   0.561
   80   2HB   CYS  11          1HB       CYS  11   8.740   4.538   2.001
   81    H    GLY  12           H        GLY  12   8.206   0.855  -0.065
   82   1HA   GLY  12          2HA       GLY  12   8.842  -0.648   2.274
   83   2HA   GLY  12          1HA       GLY  12   9.200  -1.112   0.614
   84    H    CYS  13           H        CYS  13  10.587  -0.541   3.466
   85    HA   CYS  13           HA       CYS  13  12.792   1.142   2.892
   86   1HB   CYS  13          2HB       CYS  13  13.693   0.424   4.985
   87   2HB   CYS  13          1HB       CYS  13  11.948   0.500   5.196
   88    H    CYS  14           H        CYS  14  12.511  -2.318   3.234
   89    HA   CYS  14           HA       CYS  14  15.119  -2.625   1.950
   90   1HB   CYS  14          2HB       CYS  14  13.882  -4.488   3.947
   91   2HB   CYS  14          1HB       CYS  14  15.590  -4.198   3.605
   92    H    HIS  15           H        HIS  15  12.145  -4.545   2.581
   93    HA   HIS  15           HA       HIS  15  12.650  -6.465   0.600
   94   1HB   HIS  15          2HB       HIS  15  10.946  -6.767   2.360
   95   2HB   HIS  15          1HB       HIS  15   9.968  -5.496   1.632
   96    HD1  HIS  15           1HD      HIS  15   9.521  -6.140  -1.126
   97    HD2  HIS  15           2HD      HIS  15  10.016  -9.189   1.653
   98    HE1  HIS  15           1HE      HIS  15   8.487  -8.179  -2.174
   99    HE2  HIS  15           2HE      HIS  15   8.747  -9.999  -0.451
  100    H    ARG  16           H        ARG  16   9.950  -4.200   0.327
  101    HA   ARG  16           HA       ARG  16  10.456  -3.987  -2.532
  102   1HB   ARG  16          2HB       ARG  16   8.256  -2.824  -2.613
  103   2HB   ARG  16          1HB       ARG  16   8.161  -4.451  -1.957
  104   1HG   ARG  16          2HG       ARG  16   8.372  -2.073  -0.150
  105   2HG   ARG  16          1HG       ARG  16   6.823  -2.575  -0.827
  106   1HD   ARG  16          2HD       ARG  16   8.665  -4.307   0.818
  107   2HD   ARG  16          1HD       ARG  16   7.209  -3.511   1.412
  108    HE   ARG  16           HE       ARG  16   6.536  -5.093  -0.806
  109   1HH1  ARG  16          1HH1      ARG  16   7.589  -5.432   2.499
  110   2HH1  ARG  16          2HH1      ARG  16   6.817  -6.966   2.723
  111   1HH2  ARG  16          1HH2      ARG  16   5.513  -7.111  -0.518
  112   2HH2  ARG  16          2HH2      ARG  16   5.635  -7.919   1.010
  113    H    SER  17           H        SER  17  12.438  -2.772  -2.061
  114    HA   SER  17           HA       SER  17  12.550  -0.269  -0.830
  115   1HB   SER  17          2HB       SER  17  14.569  -1.543  -1.348
  116   2HB   SER  17          1HB       SER  17  14.253  -1.379  -3.075
  117    HG   SER  17           HG       SER  17  15.177   0.494  -3.008
  118    H    LYS  18           H        LYS  18  10.422   0.399  -1.725
  119    HA   LYS  18           HA       LYS  18  10.862   2.240  -3.937
  120   1HB   LYS  18          2HB       LYS  18   8.724   1.473  -5.040
  121   2HB   LYS  18          1HB       LYS  18  10.085   0.365  -5.166
  122   1HG   LYS  18          2HG       LYS  18   9.128  -0.854  -3.180
  123   2HG   LYS  18          1HG       LYS  18   7.687   0.143  -3.371
  124   1HD   LYS  18          2HD       LYS  18   7.292  -1.931  -4.477
  125   2HD   LYS  18          1HD       LYS  18   7.514  -0.700  -5.719
  126   1HE   LYS  18          2HE       LYS  18   9.670  -2.582  -4.770
  127   2HE   LYS  18          1HE       LYS  18   8.668  -2.857  -6.193
  128   1HZ   LYS  18          1HZ       LYS  18  10.805  -0.892  -5.774
  129   2HZ   LYS  18          2HZ       LYS  18   9.544  -0.499  -6.831
  130   3HZ   LYS  18          3HZ       LYS  18  10.491  -1.872  -7.118
  131    H    CYS  19           H        CYS  19   9.726   4.112  -3.753
  132    HA   CYS  19           HA       CYS  19   7.917   4.323  -1.450
  133   1HB   CYS  19          2HB       CYS  19   9.474   6.426  -2.958
  134   2HB   CYS  19          1HB       CYS  19   8.295   6.800  -1.707
  135    H    GLY  20           H        GLY  20   5.805   4.767  -1.694
  136   1HA   GLY  20          2HA       GLY  20   4.601   6.303  -3.660
  137   2HA   GLY  20          1HA       GLY  20   4.628   4.661  -4.287
  138    H    MET  21           H        MET  21   2.329   6.335  -3.548
  139    HA   MET  21           HA       MET  21   1.167   5.719  -1.121
  140   1HB   MET  21          2HB       MET  21  -0.179   5.987  -3.814
  141   2HB   MET  21          1HB       MET  21  -1.020   6.009  -2.271
  142   1HG   MET  21          2HG       MET  21   0.212   8.015  -1.626
  143   2HG   MET  21          1HG       MET  21   1.060   7.991  -3.170
  144   1HE   MET  21          1HE       MET  21  -3.055   7.308  -2.893
  145   2HE   MET  21          2HE       MET  21  -3.317   8.968  -2.361
  146   3HE   MET  21          3HE       MET  21  -2.257   7.903  -1.437
  147    H    CYS  22           H        CYS  22   0.018   4.027  -0.279
  148    HA   CYS  22           HA       CYS  22  -0.232   1.607  -1.937
  149   1HB   CYS  22          2HB       CYS  22   0.570   1.557   0.971
  150   2HB   CYS  22          1HB       CYS  22   0.576   0.219  -0.176
  151    H    CYS  23           H        CYS  23  -2.176   0.678  -1.864
  152    HA   CYS  23           HA       CYS  23  -4.164   1.761  -0.044
  153   1HB   CYS  23          2HB       CYS  23  -4.505  -0.201  -2.320
  154   2HB   CYS  23          1HB       CYS  23  -5.800   0.603  -1.439
  155    H    LYS  24           H        LYS  24  -5.287  -1.212  -0.790
  156    HA   LYS  24           HA       LYS  24  -5.373  -2.184   1.782
  157   1HB   LYS  24          2HB       LYS  24  -6.008  -4.320   0.801
  158   2HB   LYS  24          1HB       LYS  24  -6.769  -2.997  -0.075
  159   1HG   LYS  24          2HG       LYS  24  -4.552  -3.290  -1.553
  160   2HG   LYS  24          1HG       LYS  24  -4.739  -4.942  -0.962
  161   1HD   LYS  24          2HD       LYS  24  -5.895  -4.735  -3.059
  162   2HD   LYS  24          1HD       LYS  24  -7.090  -4.903  -1.770
  163   1HE   LYS  24          2HE       LYS  24  -7.417  -2.477  -1.763
  164   2HE   LYS  24          1HE       LYS  24  -6.223  -2.312  -3.051
  165   1HZ   LYS  24          1HZ       LYS  24  -7.755  -2.791  -4.565
  166   2HZ   LYS  24          2HZ       LYS  24  -8.929  -2.699  -3.351
  167   3HZ   LYS  24          3HZ       LYS  24  -8.241  -4.193  -3.750
  168    H    THR  25           H        THR  25  -2.986  -2.912  -0.744
  169    HA   THR  25           HA       THR  25  -0.935  -3.416   1.182
  170    HB   THR  25           HB       THR  25  -1.950  -5.783  -0.411
  171    HG1  THR  25           1HG      THR  25  -1.742  -5.483   2.413
  172   1HG2  THR  25          1HG2      THR  25  -0.140  -6.893   1.154
  173   2HG2  THR  25          2HG2      THR  25   0.573  -5.281   1.096
  174   3HG2  THR  25          3HG2      THR  25   0.312  -6.184  -0.397
  Start of MODEL    6
    1   1H    ASP   1          1HT       ASP   1  -9.838  -7.355  -0.363
    2   2H    ASP   1          2HT       ASP   1  -9.917  -8.206   1.097
    3   3H    ASP   1          3HT       ASP   1  -8.482  -8.196   0.202
    4    HA   ASP   1           HA       ASP   1  -9.610  -6.150   1.946
    5   1HB   ASP   1          2HB       ASP   1  -6.799  -7.005   1.211
    6   2HB   ASP   1          1HB       ASP   1  -7.219  -5.865   2.486
    7    H    THR   2           H        THR   2  -7.599  -6.400  -0.967
    8    HA   THR   2           HA       THR   2  -7.369  -3.577  -1.315
    9    HB   THR   2           HB       THR   2  -6.857  -5.702  -3.401
   10    HG1  THR   2           1HG      THR   2  -5.385  -6.343  -2.010
   11   1HG2  THR   2          1HG2      THR   2  -5.016  -3.903  -3.919
   12   2HG2  THR   2          2HG2      THR   2  -6.123  -2.824  -3.070
   13   3HG2  THR   2          3HG2      THR   2  -6.663  -3.686  -4.510
   14    H    HIS   3           H        HIS   3  -9.868  -3.537  -1.063
   15    HA   HIS   3           HA       HIS   3 -11.008  -3.429  -3.775
   16   1HB   HIS   3          2HB       HIS   3 -12.499  -4.137  -1.236
   17   2HB   HIS   3          1HB       HIS   3 -13.193  -4.030  -2.850
   18    HD1  HIS   3           1HD      HIS   3 -11.645  -5.729  -4.596
   19    HD2  HIS   3           2HD      HIS   3 -12.117  -6.720  -0.588
   20    HE1  HIS   3           1HE      HIS   3 -11.204  -8.201  -4.458
   21    HE2  HIS   3           2HE      HIS   3 -11.450  -8.770  -2.016
   22    H    PHE   4           H        PHE   4 -11.473  -2.273  -0.447
   23    HA   PHE   4           HA       PHE   4 -11.652   0.462  -1.429
   24   1HB   PHE   4          2HB       PHE   4 -13.988  -0.413  -1.449
   25   2HB   PHE   4          1HB       PHE   4 -13.854  -0.725   0.278
   26    HD1  PHE   4           1HD      PHE   4 -12.881   2.184  -1.853
   27    HD2  PHE   4           2HD      PHE   4 -15.179   0.750   1.430
   28    HE1  PHE   4           1HE      PHE   4 -13.630   4.479  -1.380
   29    HE2  PHE   4           2HE      PHE   4 -15.933   3.042   1.908
   30    HZ   PHE   4           HZ       PHE   4 -15.160   4.911   0.502
   31    HA   PRO   5           HA       PRO   5  -9.692  -0.249   2.821
   32   1HB   PRO   5          2HB       PRO   5  -7.080   0.207   1.635
   33   2HB   PRO   5          1HB       PRO   5  -7.656  -1.189   2.545
   34   1HG   PRO   5          2HG       PRO   5  -7.095  -1.281  -0.111
   35   2HG   PRO   5          1HG       PRO   5  -8.314  -2.312   0.659
   36   1HD   PRO   5          2HD       PRO   5  -8.686   0.212  -0.915
   37   2HD   PRO   5          1HD       PRO   5  -9.627  -1.296  -0.965
   38    H    ILE   6           H        ILE   6  -7.195   1.309   2.993
   39    HA   ILE   6           HA       ILE   6  -8.420   3.959   3.113
   40    HB   ILE   6           HB       ILE   6  -6.436   4.544   4.515
   41   1HG1  ILE   6          2HG1      ILE   6  -5.881   1.575   4.296
   42   2HG1  ILE   6          1HG1      ILE   6  -4.881   2.861   3.631
   43   1HG2  ILE   6          1HG2      ILE   6  -7.604   3.941   6.326
   44   2HG2  ILE   6          2HG2      ILE   6  -7.502   2.224   5.934
   45   3HG2  ILE   6          3HG2      ILE   6  -8.739   3.229   5.180
   46   1HD1  ILE   6          1HD1      ILE   6  -5.455   2.721   6.562
   47   2HD1  ILE   6          2HD1      ILE   6  -4.126   3.522   5.723
   48   3HD1  ILE   6          3HD1      ILE   6  -4.168   1.763   5.831
   49    H    CYS   7           H        CYS   7  -5.556   2.335   1.806
   50    HA   CYS   7           HA       CYS   7  -4.084   2.903   0.175
   51   1HB   CYS   7          2HB       CYS   7  -6.404   4.663  -0.574
   52   2HB   CYS   7          1HB       CYS   7  -4.898   4.714  -1.478
   53    H    ILE   8           H        ILE   8  -3.616   4.016   2.662
   54    HA   ILE   8           HA       ILE   8  -3.025   6.826   2.380
   55    HB   ILE   8           HB       ILE   8  -2.110   6.725   4.604
   56   1HG1  ILE   8          2HG1      ILE   8  -2.433   3.720   4.403
   57   2HG1  ILE   8          1HG1      ILE   8  -0.903   4.590   4.400
   58   1HG2  ILE   8          1HG2      ILE   8  -4.618   6.622   4.170
   59   2HG2  ILE   8          2HG2      ILE   8  -4.059   6.199   5.789
   60   3HG2  ILE   8          3HG2      ILE   8  -4.509   4.929   4.651
   61   1HD1  ILE   8          1HD1      ILE   8  -2.848   4.719   6.684
   62   2HD1  ILE   8          2HD1      ILE   8  -1.163   5.237   6.656
   63   3HD1  ILE   8          3HD1      ILE   8  -1.559   3.520   6.572
   64    H    PHE   9           H        PHE   9  -0.998   7.776   2.304
   65    HA   PHE   9           HA       PHE   9   0.868   6.689   0.583
   66   1HB   PHE   9          2HB       PHE   9   0.668   9.095   1.150
   67   2HB   PHE   9          1HB       PHE   9   1.393   8.766   2.718
   68    HD1  PHE   9           1HD      PHE   9   3.406   9.885   2.707
   69    HD2  PHE   9           2HD      PHE   9   2.349   7.490  -0.658
   70    HE1  PHE   9           1HE      PHE   9   5.640  10.255   1.747
   71    HE2  PHE   9           2HE      PHE   9   4.584   7.863  -1.619
   72    HZ   PHE   9           HZ       PHE   9   6.231   9.243  -0.418
   73    H    CYS  10           H        CYS  10   2.607   5.425   0.751
   74    HA   CYS  10           HA       CYS  10   3.996   4.884   3.198
   75   1HB   CYS  10          2HB       CYS  10   2.133   2.837   2.013
   76   2HB   CYS  10          1HB       CYS  10   3.539   2.353   2.952
   77    H    CYS  11           H        CYS  11   6.073   4.702   2.568
   78    HA   CYS  11           HA       CYS  11   6.650   3.905  -0.176
   79   1HB   CYS  11          2HB       CYS  11   7.800   5.885   0.599
   80   2HB   CYS  11          1HB       CYS  11   8.435   5.019   1.995
   81    H    GLY  12           H        GLY  12   7.492   1.998  -0.760
   82   1HA   GLY  12          2HA       GLY  12   7.632  -0.149   1.093
   83   2HA   GLY  12          1HA       GLY  12   8.167  -0.196  -0.583
   84    H    CYS  13           H        CYS  13   9.068   0.214   2.693
   85    HA   CYS  13           HA       CYS  13  11.689   1.245   2.389
   86   1HB   CYS  13          2HB       CYS  13  11.977   0.746   4.706
   87   2HB   CYS  13          1HB       CYS  13  10.302   1.246   4.506
   88    H    CYS  14           H        CYS  14  10.497  -1.968   3.103
   89    HA   CYS  14           HA       CYS  14  13.177  -3.005   2.574
   90   1HB   CYS  14          2HB       CYS  14  11.117  -4.181   4.409
   91   2HB   CYS  14          1HB       CYS  14  12.874  -4.346   4.464
   92    H    HIS  15           H        HIS  15   9.781  -4.251   2.627
   93    HA   HIS  15           HA       HIS  15  10.352  -6.537   1.115
   94   1HB   HIS  15          2HB       HIS  15   8.168  -5.984   2.338
   95   2HB   HIS  15          1HB       HIS  15   7.739  -5.030   0.921
   96    HD1  HIS  15           1HD      HIS  15   8.352  -6.739  -1.395
   97    HD2  HIS  15           2HD      HIS  15   6.870  -8.338   2.142
   98    HE1  HIS  15           1HE      HIS  15   7.322  -8.943  -2.033
   99    HE2  HIS  15           2HE      HIS  15   6.528  -9.939   0.141
  100    H    ARG  16           H        ARG  16   8.449  -3.845  -0.212
  101    HA   ARG  16           HA       ARG  16   9.768  -4.226  -2.796
  102   1HB   ARG  16          2HB       ARG  16   7.390  -2.552  -1.963
  103   2HB   ARG  16          1HB       ARG  16   8.101  -2.481  -3.568
  104   1HG   ARG  16          2HG       ARG  16   6.257  -3.885  -3.761
  105   2HG   ARG  16          1HG       ARG  16   7.654  -4.960  -3.719
  106   1HD   ARG  16          2HD       ARG  16   5.845  -5.815  -2.321
  107   2HD   ARG  16          1HD       ARG  16   7.257  -5.395  -1.352
  108    HE   ARG  16           HE       ARG  16   5.946  -3.915  -0.234
  109   1HH1  ARG  16          1HH1      ARG  16   4.526  -4.441  -3.375
  110   2HH1  ARG  16          2HH1      ARG  16   3.160  -3.422  -3.066
  111   1HH2  ARG  16          1HH2      ARG  16   4.150  -2.577   0.176
  112   2HH2  ARG  16          2HH2      ARG  16   2.946  -2.364  -1.051
  113    H    SER  17           H        SER  17  11.532  -2.999  -3.237
  114    HA   SER  17           HA       SER  17  12.149  -0.720  -1.577
  115   1HB   SER  17          2HB       SER  17  13.550  -1.774  -4.055
  116   2HB   SER  17          1HB       SER  17  14.186  -0.540  -2.967
  117    HG   SER  17           HG       SER  17  15.024  -2.217  -2.000
  118    H    LYS  18           H        LYS  18   9.830  -0.024  -2.481
  119    HA   LYS  18           HA       LYS  18  10.401   2.079  -4.446
  120   1HB   LYS  18          2HB       LYS  18   8.060   0.192  -4.750
  121   2HB   LYS  18          1HB       LYS  18   8.465   1.534  -5.808
  122   1HG   LYS  18          2HG       LYS  18  10.407   0.421  -6.609
  123   2HG   LYS  18          1HG       LYS  18  10.260  -0.840  -5.382
  124   1HD   LYS  18          2HD       LYS  18   8.141  -1.558  -6.386
  125   2HD   LYS  18          1HD       LYS  18   8.309  -0.310  -7.623
  126   1HE   LYS  18          2HE       LYS  18  10.390  -1.359  -8.386
  127   2HE   LYS  18          1HE       LYS  18  10.206  -2.610  -7.158
  128   1HZ   LYS  18          1HZ       LYS  18   9.140  -2.570  -9.731
  129   2HZ   LYS  18          2HZ       LYS  18   7.837  -2.446  -8.660
  130   3HZ   LYS  18          3HZ       LYS  18   8.916  -3.742  -8.532
  131    H    CYS  19           H        CYS  19   9.501   3.965  -3.847
  132    HA   CYS  19           HA       CYS  19   7.782   4.076  -1.549
  133   1HB   CYS  19          2HB       CYS  19   8.866   6.182  -3.415
  134   2HB   CYS  19          1HB       CYS  19   7.731   6.569  -2.127
  135    H    GLY  20           H        GLY  20   5.619   4.380  -1.451
  136   1HA   GLY  20          2HA       GLY  20   4.079   5.352  -3.662
  137   2HA   GLY  20          1HA       GLY  20   3.915   3.611  -3.462
  138    H    MET  21           H        MET  21   1.765   3.643  -2.823
  139    HA   MET  21           HA       MET  21   1.277   4.815  -0.174
  140   1HB   MET  21          2HB       MET  21  -0.655   4.701  -2.492
  141   2HB   MET  21          1HB       MET  21  -1.061   5.237  -0.867
  142   1HG   MET  21          2HG       MET  21   0.494   7.087  -1.063
  143   2HG   MET  21          1HG       MET  21   0.971   6.536  -2.668
  144   1HE   MET  21          1HE       MET  21  -1.363   7.194  -5.034
  145   2HE   MET  21          2HE       MET  21  -2.573   6.279  -4.133
  146   3HE   MET  21          3HE       MET  21  -0.900   5.722  -4.177
  147    H    CYS  22           H        CYS  22   0.864   3.303   1.290
  148    HA   CYS  22           HA       CYS  22   0.245   0.602   0.553
  149   1HB   CYS  22          2HB       CYS  22   0.207   0.166   2.964
  150   2HB   CYS  22          1HB       CYS  22   1.626   1.115   2.535
  151    H    CYS  23           H        CYS  23  -1.723  -0.274   0.273
  152    HA   CYS  23           HA       CYS  23  -4.022   1.152   1.431
  153   1HB   CYS  23          2HB       CYS  23  -3.701   1.404  -1.104
  154   2HB   CYS  23          1HB       CYS  23  -4.160  -0.293  -1.206
  155    H    LYS  24           H        LYS  24  -2.944  -1.952   0.066
  156    HA   LYS  24           HA       LYS  24  -5.055  -3.518   1.022
  157   1HB   LYS  24          2HB       LYS  24  -2.277  -4.629   0.872
  158   2HB   LYS  24          1HB       LYS  24  -3.803  -5.374   0.409
  159   1HG   LYS  24          2HG       LYS  24  -3.939  -3.919  -1.539
  160   2HG   LYS  24          1HG       LYS  24  -2.420  -3.147  -1.075
  161   1HD   LYS  24          2HD       LYS  24  -1.278  -5.319  -1.282
  162   2HD   LYS  24          1HD       LYS  24  -2.797  -6.054  -1.799
  163   1HE   LYS  24          2HE       LYS  24  -2.856  -4.536  -3.730
  164   2HE   LYS  24          1HE       LYS  24  -1.321  -3.836  -3.217
  165   1HZ   LYS  24          1HZ       LYS  24  -0.359  -5.392  -4.450
  166   2HZ   LYS  24          2HZ       LYS  24  -1.812  -6.224  -4.690
  167   3HZ   LYS  24          3HZ       LYS  24  -0.873  -6.540  -3.319
  168    H    THR  25           H        THR  25  -5.516  -4.438   2.950
  169    HA   THR  25           HA       THR  25  -4.363  -3.444   5.310
  170    HB   THR  25           HB       THR  25  -5.676  -5.156   6.494
  171    HG1  THR  25           1HG      THR  25  -6.712  -6.760   5.384
  172   1HG2  THR  25          1HG2      THR  25  -6.649  -3.091   4.900
  173   2HG2  THR  25          2HG2      THR  25  -7.501  -3.901   6.215
  174   3HG2  THR  25          3HG2      THR  25  -7.708  -4.458   4.555
  Start of MODEL    7
    1   1H    ASP   1          1HT       ASP   1  -8.469  -9.592  -2.542
    2   2H    ASP   1          2HT       ASP   1  -6.875  -9.858  -2.042
    3   3H    ASP   1          3HT       ASP   1  -7.245  -8.518  -3.005
    4    HA   ASP   1           HA       ASP   1  -8.807  -8.585  -0.619
    5   1HB   ASP   1          2HB       ASP   1  -6.919  -8.051   0.903
    6   2HB   ASP   1          1HB       ASP   1  -6.853  -9.701   0.293
    7    H    THR   2           H        THR   2  -8.944  -7.142  -2.948
    8    HA   THR   2           HA       THR   2  -7.598  -4.626  -2.709
    9    HB   THR   2           HB       THR   2  -8.946  -3.916  -4.620
   10    HG1  THR   2           1HG      THR   2 -10.729  -5.548  -3.705
   11   1HG2  THR   2          1HG2      THR   2  -8.486  -6.446  -5.798
   12   2HG2  THR   2          2HG2      THR   2  -7.231  -6.199  -4.584
   13   3HG2  THR   2          3HG2      THR   2  -7.462  -5.011  -5.867
   14    H    HIS   3           H        HIS   3  -8.633  -4.841  -0.356
   15    HA   HIS   3           HA       HIS   3 -11.269  -3.681  -0.146
   16   1HB   HIS   3          2HB       HIS   3 -10.444  -5.325   1.517
   17   2HB   HIS   3          1HB       HIS   3  -9.193  -4.187   2.003
   18    HD1  HIS   3           1HD      HIS   3 -12.990  -3.980   1.660
   19    HD2  HIS   3           2HD      HIS   3  -9.932  -2.955   4.281
   20    HE1  HIS   3           1HE      HIS   3 -14.122  -2.877   3.617
   21    HE2  HIS   3           2HE      HIS   3 -12.258  -2.334   5.223
   22    H    PHE   4           H        PHE   4 -10.169  -1.917  -1.643
   23    HA   PHE   4           HA       PHE   4  -8.436  -0.004  -0.777
   24   1HB   PHE   4          2HB       PHE   4 -10.025   1.597  -2.166
   25   2HB   PHE   4          1HB       PHE   4  -9.044   0.365  -2.946
   26    HD1  PHE   4           1HD      PHE   4 -12.337   0.199  -1.167
   27    HD2  PHE   4           2HD      PHE   4 -10.161  -0.433  -4.770
   28    HE1  PHE   4           1HE      PHE   4 -14.347  -0.756  -2.208
   29    HE2  PHE   4           2HE      PHE   4 -12.170  -1.389  -5.818
   30    HZ   PHE   4           HZ       PHE   4 -14.267  -1.551  -4.537
   31    HA   PRO   5           HA       PRO   5 -10.882   1.807   2.560
   32   1HB   PRO   5          2HB       PRO   5  -8.933   1.874   4.372
   33   2HB   PRO   5          1HB       PRO   5  -9.671   0.335   3.908
   34   1HG   PRO   5          2HG       PRO   5  -7.003   1.424   3.232
   35   2HG   PRO   5          1HG       PRO   5  -7.538  -0.261   3.335
   36   1HD   PRO   5          2HD       PRO   5  -7.297   1.399   0.990
   37   2HD   PRO   5          1HD       PRO   5  -7.788  -0.304   1.084
   38    H    ILE   6           H        ILE   6  -8.683   3.304   4.175
   39    HA   ILE   6           HA       ILE   6  -9.131   5.872   3.081
   40    HB   ILE   6           HB       ILE   6  -7.244   6.521   4.716
   41   1HG1  ILE   6          2HG1      ILE   6  -7.685   3.622   5.459
   42   2HG1  ILE   6          1HG1      ILE   6  -6.175   4.366   4.946
   43   1HG2  ILE   6          1HG2      ILE   6  -8.960   7.047   6.026
   44   2HG2  ILE   6          2HG2      ILE   6  -9.212   5.355   6.459
   45   3HG2  ILE   6          3HG2      ILE   6  -9.981   6.021   5.018
   46   1HD1  ILE   6          1HD1      ILE   6  -6.101   4.028   7.305
   47   2HD1  ILE   6          2HD1      ILE   6  -7.652   4.840   7.521
   48   3HD1  ILE   6          3HD1      ILE   6  -6.240   5.760   7.001
   49    H    CYS   7           H        CYS   7  -6.855   3.423   2.435
   50    HA   CYS   7           HA       CYS   7  -5.140   3.235   0.968
   51   1HB   CYS   7          2HB       CYS   7  -6.346   5.803  -0.033
   52   2HB   CYS   7          1HB       CYS   7  -4.930   5.082  -0.789
   53    H    ILE   8           H        ILE   8  -4.358   4.000   3.418
   54    HA   ILE   8           HA       ILE   8  -2.880   6.358   3.653
   55    HB   ILE   8           HB       ILE   8  -1.565   5.170   5.387
   56   1HG1  ILE   8          2HG1      ILE   8  -3.218   2.779   4.536
   57   2HG1  ILE   8          1HG1      ILE   8  -1.485   2.968   4.285
   58   1HG2  ILE   8          1HG2      ILE   8  -3.231   5.415   6.870
   59   2HG2  ILE   8          2HG2      ILE   8  -4.296   4.299   6.016
   60   3HG2  ILE   8          3HG2      ILE   8  -4.150   5.970   5.470
   61   1HD1  ILE   8          1HD1      ILE   8  -2.884   1.941   6.550
   62   2HD1  ILE   8          2HD1      ILE   8  -1.933   3.346   7.030
   63   3HD1  ILE   8          3HD1      ILE   8  -1.149   1.982   6.233
   64    H    PHE   9           H        PHE   9  -0.866   6.971   3.057
   65    HA   PHE   9           HA       PHE   9   0.410   5.698   0.892
   66   1HB   PHE   9          2HB       PHE   9   0.656   8.077   1.233
   67   2HB   PHE   9          1HB       PHE   9   1.385   7.821   2.813
   68    HD1  PHE   9           1HD      PHE   9   2.048   6.336  -0.551
   69    HD2  PHE   9           2HD      PHE   9   3.563   8.514   2.776
   70    HE1  PHE   9           1HE      PHE   9   4.285   6.342  -1.576
   71    HE2  PHE   9           2HE      PHE   9   5.800   8.524   1.755
   72    HZ   PHE   9           HZ       PHE   9   6.163   7.439  -0.423
   73    H    CYS  10           H        CYS  10   2.051   4.238   0.778
   74    HA   CYS  10           HA       CYS  10   3.612   3.631   3.149
   75   1HB   CYS  10          2HB       CYS  10   2.869   1.522   3.559
   76   2HB   CYS  10          1HB       CYS  10   1.385   2.149   2.857
   77    H    CYS  11           H        CYS  11   5.623   2.810   2.688
   78    HA   CYS  11           HA       CYS  11   6.204   2.235  -0.135
   79   1HB   CYS  11          2HB       CYS  11   6.830   4.553   0.277
   80   2HB   CYS  11          1HB       CYS  11   7.786   4.070   1.674
   81    H    GLY  12           H        GLY  12   7.261   0.389  -0.396
   82   1HA   GLY  12          2HA       GLY  12   8.263  -1.062   1.877
   83   2HA   GLY  12          1HA       GLY  12   8.325  -1.581   0.195
   84    H    CYS  13           H        CYS  13  10.158  -0.772   2.755
   85    HA   CYS  13           HA       CYS  13  12.229   0.837   1.647
   86   1HB   CYS  13          2HB       CYS  13  13.456   0.329   3.650
   87   2HB   CYS  13          1HB       CYS  13  11.769   0.509   4.113
   88    H    CYS  14           H        CYS  14  11.948  -2.530   2.431
   89    HA   CYS  14           HA       CYS  14  14.327  -3.110   0.837
   90   1HB   CYS  14          2HB       CYS  14  13.327  -4.669   3.197
   91   2HB   CYS  14          1HB       CYS  14  14.977  -4.517   2.583
   92    H    HIS  15           H        HIS  15  11.241  -4.532   1.971
   93    HA   HIS  15           HA       HIS  15  11.328  -6.792   0.281
   94   1HB   HIS  15          2HB       HIS  15   8.900  -5.312   1.340
   95   2HB   HIS  15          1HB       HIS  15   8.891  -6.935   0.662
   96    HD1  HIS  15           1HD      HIS  15   7.760  -7.033   3.276
   97    HD2  HIS  15           2HD      HIS  15  11.892  -6.930   2.840
   98    HE1  HIS  15           1HE      HIS  15   8.686  -7.934   5.433
   99    HE2  HIS  15           2HE      HIS  15  11.189  -7.877   5.142
  100    H    ARG  16           H        ARG  16   8.789  -4.399  -0.153
  101    HA   ARG  16           HA       ARG  16   9.268  -4.454  -3.030
  102   1HB   ARG  16          2HB       ARG  16   7.078  -3.423  -3.275
  103   2HB   ARG  16          1HB       ARG  16   6.957  -4.837  -2.247
  104   1HG   ARG  16          2HG       ARG  16   7.106  -2.024  -1.194
  105   2HG   ARG  16          1HG       ARG  16   5.598  -2.869  -1.531
  106   1HD   ARG  16          2HD       ARG  16   6.261  -4.624   0.070
  107   2HD   ARG  16          1HD       ARG  16   7.723  -3.709   0.436
  108    HE   ARG  16           HE       ARG  16   5.478  -2.060   0.810
  109   1HH1  ARG  16          1HH1      ARG  16   7.069  -4.806   2.245
  110   2HH1  ARG  16          2HH1      ARG  16   6.483  -4.475   3.840
  111   1HH2  ARG  16          1HH2      ARG  16   4.703  -1.614   2.905
  112   2HH2  ARG  16          2HH2      ARG  16   5.139  -2.658   4.216
  113    H    SER  17           H        SER  17  11.156  -3.218  -3.068
  114    HA   SER  17           HA       SER  17  11.563  -0.753  -1.824
  115   1HB   SER  17          2HB       SER  17  12.854  -1.875  -4.313
  116   2HB   SER  17          1HB       SER  17  13.456  -0.496  -3.394
  117    HG   SER  17           HG       SER  17  13.717  -1.885  -1.611
  118    H    LYS  18           H        LYS  18   9.233  -0.054  -2.520
  119    HA   LYS  18           HA       LYS  18   9.644   2.036  -4.478
  120   1HB   LYS  18          2HB       LYS  18   7.580   1.573  -5.751
  121   2HB   LYS  18          1HB       LYS  18   8.810   0.338  -5.962
  122   1HG   LYS  18          2HG       LYS  18   6.666  -0.036  -3.923
  123   2HG   LYS  18          1HG       LYS  18   6.327  -0.329  -5.628
  124   1HD   LYS  18          2HD       LYS  18   8.629  -1.595  -4.159
  125   2HD   LYS  18          1HD       LYS  18   7.038  -2.343  -4.292
  126   1HE   LYS  18          2HE       LYS  18   8.456  -3.258  -5.996
  127   2HE   LYS  18          1HE       LYS  18   7.251  -2.228  -6.764
  128   1HZ   LYS  18          1HZ       LYS  18   9.845  -1.060  -6.060
  129   2HZ   LYS  18          2HZ       LYS  18   8.806  -0.682  -7.339
  130   3HZ   LYS  18          3HZ       LYS  18   9.762  -2.074  -7.411
  131    H    CYS  19           H        CYS  19   8.454   3.854  -4.128
  132    HA   CYS  19           HA       CYS  19   6.789   3.835  -1.712
  133   1HB   CYS  19          2HB       CYS  19   8.155   6.093  -3.185
  134   2HB   CYS  19          1HB       CYS  19   7.078   6.330  -1.814
  135    H    GLY  20           H        GLY  20   4.641   4.268  -1.766
  136   1HA   GLY  20          2HA       GLY  20   3.328   5.864  -3.655
  137   2HA   GLY  20          1HA       GLY  20   3.257   4.207  -4.232
  138    H    MET  21           H        MET  21   1.034   5.874  -3.471
  139    HA   MET  21           HA       MET  21   0.044   5.381  -0.913
  140   1HB   MET  21          2HB       MET  21  -1.483   5.655  -3.512
  141   2HB   MET  21          1HB       MET  21  -2.204   5.745  -1.910
  142   1HG   MET  21          2HG       MET  21  -0.870   7.717  -1.407
  143   2HG   MET  21          1HG       MET  21  -0.114   7.621  -2.996
  144   1HE   MET  21          1HE       MET  21  -3.352   7.938  -1.022
  145   2HE   MET  21          2HE       MET  21  -4.090   7.005  -2.324
  146   3HE   MET  21          3HE       MET  21  -4.492   8.711  -2.124
  147    H    CYS  22           H        CYS  22  -0.966   3.678   0.051
  148    HA   CYS  22           HA       CYS  22  -1.324   1.250  -1.584
  149   1HB   CYS  22          2HB       CYS  22  -0.504   1.322   1.325
  150   2HB   CYS  22          1HB       CYS  22  -0.521  -0.077   0.251
  151    H    CYS  23           H        CYS  23  -3.253   0.230  -1.458
  152    HA   CYS  23           HA       CYS  23  -5.147   1.174   0.599
  153   1HB   CYS  23          2HB       CYS  23  -5.891   0.190  -2.157
  154   2HB   CYS  23          1HB       CYS  23  -6.942   0.960  -0.977
  155    H    LYS  24           H        LYS  24  -4.772  -1.545  -1.696
  156    HA   LYS  24           HA       LYS  24  -6.350  -3.365  -0.294
  157   1HB   LYS  24          2HB       LYS  24  -3.957  -4.244  -1.885
  158   2HB   LYS  24          1HB       LYS  24  -5.527  -5.027  -1.732
  159   1HG   LYS  24          2HG       LYS  24  -6.558  -3.315  -3.082
  160   2HG   LYS  24          1HG       LYS  24  -5.035  -2.427  -3.169
  161   1HD   LYS  24          2HD       LYS  24  -5.510  -5.207  -4.247
  162   2HD   LYS  24          1HD       LYS  24  -5.458  -3.729  -5.210
  163   1HE   LYS  24          2HE       LYS  24  -3.139  -3.365  -4.540
  164   2HE   LYS  24          1HE       LYS  24  -3.190  -4.816  -3.542
  165   1HZ   LYS  24          1HZ       LYS  24  -3.246  -6.185  -5.387
  166   2HZ   LYS  24          2HZ       LYS  24  -2.184  -4.964  -5.882
  167   3HZ   LYS  24          3HZ       LYS  24  -3.785  -4.963  -6.426
  168    H    THR  25           H        THR  25  -2.814  -2.966  -0.231
  169    HA   THR  25           HA       THR  25  -2.338  -4.978   1.691
  170    HB   THR  25           HB       THR  25  -0.649  -2.549   1.058
  171    HG1  THR  25           1HG      THR  25   0.405  -3.971  -0.370
  172   1HG2  THR  25          1HG2      THR  25   0.564  -3.250   2.810
  173   2HG2  THR  25          2HG2      THR  25   1.023  -4.614   1.790
  174   3HG2  THR  25          3HG2      THR  25  -0.322  -4.771   2.920
  Start of MODEL    8
    1   1H    ASP   1          1HT       ASP   1  -7.703  -6.828   1.809
    2   2H    ASP   1          2HT       ASP   1  -6.606  -5.590   2.164
    3   3H    ASP   1          3HT       ASP   1  -7.374  -5.633   0.657
    4    HA   ASP   1           HA       ASP   1  -8.869  -5.371   3.192
    5   1HB   ASP   1          2HB       ASP   1  -7.804  -3.186   1.382
    6   2HB   ASP   1          1HB       ASP   1  -8.911  -2.933   2.728
    7    H    THR   2           H        THR   2 -10.185  -3.101   1.564
    8    HA   THR   2           HA       THR   2 -11.960  -4.869   0.019
    9    HB   THR   2           HB       THR   2 -13.711  -3.154   0.352
   10    HG1  THR   2           1HG      THR   2 -13.229  -1.524   1.981
   11   1HG2  THR   2          1HG2      THR   2 -14.229  -3.720   2.597
   12   2HG2  THR   2          2HG2      THR   2 -12.529  -3.932   3.012
   13   3HG2  THR   2          3HG2      THR   2 -13.328  -5.088   1.947
   14    H    HIS   3           H        HIS   3 -13.339  -2.566  -1.154
   15    HA   HIS   3           HA       HIS   3 -11.588  -2.190  -3.419
   16   1HB   HIS   3          2HB       HIS   3 -14.402  -1.198  -2.920
   17   2HB   HIS   3          1HB       HIS   3 -13.536  -1.070  -4.446
   18    HD1  HIS   3           1HD      HIS   3 -15.951  -2.469  -4.947
   19    HD2  HIS   3           2HD      HIS   3 -12.750  -4.497  -3.241
   20    HE1  HIS   3           1HE      HIS   3 -16.387  -4.906  -5.386
   21    HE2  HIS   3           2HE      HIS   3 -14.438  -6.115  -4.346
   22    H    PHE   4           H        PHE   4 -13.087  -0.166  -0.932
   23    HA   PHE   4           HA       PHE   4 -11.188   1.961  -1.633
   24   1HB   PHE   4          2HB       PHE   4 -13.080   3.560  -0.904
   25   2HB   PHE   4          1HB       PHE   4 -13.166   2.831  -2.502
   26    HD1  PHE   4           1HD      PHE   4 -14.079   1.389   0.821
   27    HD2  PHE   4           2HD      PHE   4 -15.411   2.711  -2.999
   28    HE1  PHE   4           1HE      PHE   4 -16.335   0.541   1.316
   29    HE2  PHE   4           2HE      PHE   4 -17.668   1.865  -2.509
   30    HZ   PHE   4           HZ       PHE   4 -18.132   0.780  -0.349
   31    HA   PRO   5           HA       PRO   5 -11.213   0.921   2.975
   32   1HB   PRO   5          2HB       PRO   5  -8.665   0.044   3.190
   33   2HB   PRO   5          1HB       PRO   5 -10.004  -1.030   2.764
   34   1HG   PRO   5          2HG       PRO   5  -7.994   0.291   0.981
   35   2HG   PRO   5          1HG       PRO   5  -8.586  -1.380   0.951
   36   1HD   PRO   5          2HD       PRO   5  -9.517   0.527  -0.735
   37   2HD   PRO   5          1HD       PRO   5 -10.531  -0.806  -0.147
   38    H    ILE   6           H        ILE   6  -8.301   1.320   3.797
   39    HA   ILE   6           HA       ILE   6  -8.463   4.153   4.147
   40    HB   ILE   6           HB       ILE   6  -6.254   2.252   4.930
   41   1HG1  ILE   6          2HG1      ILE   6  -8.398   1.573   5.886
   42   2HG1  ILE   6          1HG1      ILE   6  -7.322   2.172   7.126
   43   1HG2  ILE   6          1HG2      ILE   6  -6.495   5.051   5.060
   44   2HG2  ILE   6          2HG2      ILE   6  -5.216   4.024   5.710
   45   3HG2  ILE   6          3HG2      ILE   6  -6.623   4.416   6.698
   46   1HD1  ILE   6          1HD1      ILE   6  -8.809   3.683   7.752
   47   2HD1  ILE   6          2HD1      ILE   6  -9.955   2.941   6.636
   48   3HD1  ILE   6          3HD1      ILE   6  -8.958   4.297   6.106
   49    H    CYS   7           H        CYS   7  -6.473   1.899   2.309
   50    HA   CYS   7           HA       CYS   7  -5.018   2.177   0.600
   51   1HB   CYS   7          2HB       CYS   7  -6.663   4.635   0.417
   52   2HB   CYS   7          1HB       CYS   7  -5.137   4.630  -0.462
   53    H    ILE   8           H        ILE   8  -3.933   2.360   3.029
   54    HA   ILE   8           HA       ILE   8  -2.476   4.679   3.625
   55    HB   ILE   8           HB       ILE   8  -1.024   3.230   4.984
   56   1HG1  ILE   8          2HG1      ILE   8  -2.620   0.961   3.768
   57   2HG1  ILE   8          1HG1      ILE   8  -0.930   1.311   3.427
   58   1HG2  ILE   8          1HG2      ILE   8  -2.999   3.935   6.049
   59   2HG2  ILE   8          2HG2      ILE   8  -2.888   2.204   6.367
   60   3HG2  ILE   8          3HG2      ILE   8  -3.993   2.804   5.131
   61   1HD1  ILE   8          1HD1      ILE   8  -1.480   1.006   6.267
   62   2HD1  ILE   8          2HD1      ILE   8  -0.239   0.260   5.260
   63   3HD1  ILE   8          3HD1      ILE   8  -1.861  -0.431   5.317
   64    H    PHE   9           H        PHE   9  -0.624   5.514   2.905
   65    HA   PHE   9           HA       PHE   9   0.605   4.410   0.535
   66   1HB   PHE   9          2HB       PHE   9   0.283   6.814   0.675
   67   2HB   PHE   9          1HB       PHE   9   1.190   6.885   2.180
   68    HD1  PHE   9           1HD      PHE   9   3.119   8.064   1.852
   69    HD2  PHE   9           2HD      PHE   9   1.892   5.281  -1.122
   70    HE1  PHE   9           1HE      PHE   9   5.182   8.511   0.590
   71    HE2  PHE   9           2HE      PHE   9   3.956   5.720  -2.388
   72    HZ   PHE   9           HZ       PHE   9   5.603   7.337  -1.532
   73    H    CYS  10           H        CYS  10   2.548   3.337   0.419
   74    HA   CYS  10           HA       CYS  10   4.277   3.360   2.765
   75   1HB   CYS  10          2HB       CYS  10   4.262   1.082   3.201
   76   2HB   CYS  10          1HB       CYS  10   2.569   1.408   2.859
   77    H    CYS  11           H        CYS  11   6.404   3.056   2.346
   78    HA   CYS  11           HA       CYS  11   7.138   2.543  -0.460
   79   1HB   CYS  11          2HB       CYS  11   7.409   4.919   0.066
   80   2HB   CYS  11          1HB       CYS  11   8.410   4.511   1.455
   81    H    GLY  12           H        GLY  12   8.408   0.823  -0.705
   82   1HA   GLY  12          2HA       GLY  12   9.381  -0.703   1.441
   83   2HA   GLY  12          1HA       GLY  12   9.891  -0.868  -0.235
   84    H    CYS  13           H        CYS  13  10.840  -0.090   2.833
   85    HA   CYS  13           HA       CYS  13  12.756   1.947   2.472
   86   1HB   CYS  13          2HB       CYS  13  12.347   1.683   4.710
   87   2HB   CYS  13          1HB       CYS  13  12.112  -0.057   4.568
   88    H    CYS  14           H        CYS  14  13.450  -1.254   3.480
   89    HA   CYS  14           HA       CYS  14  16.064  -1.147   2.256
   90   1HB   CYS  14          2HB       CYS  14  15.528  -3.354   4.038
   91   2HB   CYS  14          1HB       CYS  14  16.663  -2.016   4.222
   92    H    HIS  15           H        HIS  15  13.275  -3.367   2.482
   93    HA   HIS  15           HA       HIS  15  14.366  -5.404   0.873
   94   1HB   HIS  15          2HB       HIS  15  11.464  -4.602   1.227
   95   2HB   HIS  15          1HB       HIS  15  12.018  -6.118   0.522
   96    HD1  HIS  15           1HD      HIS  15  13.839  -7.361   2.367
   97    HD2  HIS  15           2HD      HIS  15  10.737  -4.990   3.789
   98    HE1  HIS  15           1HE      HIS  15  13.492  -8.070   4.754
   99    HE2  HIS  15           2HE      HIS  15  11.545  -6.691   5.563
  100    H    ARG  16           H        ARG  16  11.518  -3.780  -0.340
  101    HA   ARG  16           HA       ARG  16  12.827  -3.456  -2.925
  102   1HB   ARG  16          2HB       ARG  16  10.539  -2.916  -3.760
  103   2HB   ARG  16          1HB       ARG  16  10.666  -4.514  -3.043
  104   1HG   ARG  16          2HG       ARG  16   9.657  -2.159  -1.482
  105   2HG   ARG  16          1HG       ARG  16   8.597  -3.126  -2.508
  106   1HD   ARG  16          2HD       ARG  16   9.190  -5.128  -1.243
  107   2HD   ARG  16          1HD       ARG  16  10.276  -4.178  -0.232
  108    HE   ARG  16           HE       ARG  16   7.684  -3.077  -0.133
  109   1HH1  ARG  16          1HH1      ARG  16   9.503  -5.842   0.956
  110   2HH1  ARG  16          2HH1      ARG  16   8.509  -6.107   2.352
  111   1HH2  ARG  16          1HH2      ARG  16   6.372  -3.418   1.703
  112   2HH2  ARG  16          2HH2      ARG  16   6.728  -4.734   2.773
  113    H    SER  17           H        SER  17  14.007  -1.630  -2.985
  114    HA   SER  17           HA       SER  17  13.400   0.728  -1.534
  115   1HB   SER  17          2HB       SER  17  15.254   1.737  -2.822
  116   2HB   SER  17          1HB       SER  17  15.702   0.168  -2.153
  117    HG   SER  17           HG       SER  17  15.316   0.935  -4.797
  118    H    LYS  18           H        LYS  18  11.106   0.686  -2.390
  119    HA   LYS  18           HA       LYS  18  10.940   2.646  -4.550
  120   1HB   LYS  18          2HB       LYS  18   9.213   1.395  -5.763
  121   2HB   LYS  18          1HB       LYS  18  10.744   0.534  -5.731
  122   1HG   LYS  18          2HG       LYS  18   9.894  -0.884  -3.915
  123   2HG   LYS  18          1HG       LYS  18   8.348  -0.036  -3.996
  124   1HD   LYS  18          2HD       LYS  18   8.094  -0.766  -6.334
  125   2HD   LYS  18          1HD       LYS  18   9.618  -1.646  -6.213
  126   1HE   LYS  18          2HE       LYS  18   7.733  -3.153  -5.914
  127   2HE   LYS  18          1HE       LYS  18   8.673  -3.029  -4.427
  128   1HZ   LYS  18          1HZ       LYS  18   6.185  -1.501  -4.962
  129   2HZ   LYS  18          2HZ       LYS  18   7.044  -1.561  -3.505
  130   3HZ   LYS  18          3HZ       LYS  18   6.248  -2.940  -4.074
  131    H    CYS  19           H        CYS  19   9.296   4.071  -4.369
  132    HA   CYS  19           HA       CYS  19   7.546   3.787  -2.026
  133   1HB   CYS  19          2HB       CYS  19   8.290   6.222  -3.662
  134   2HB   CYS  19          1HB       CYS  19   7.161   6.238  -2.313
  135    H    GLY  20           H        GLY  20   5.328   3.784  -2.194
  136   1HA   GLY  20          2HA       GLY  20   3.893   4.673  -4.460
  137   2HA   GLY  20          1HA       GLY  20   4.156   2.943  -4.599
  138    H    MET  21           H        MET  21   1.621   4.220  -4.401
  139    HA   MET  21           HA       MET  21   0.527   4.191  -1.818
  140   1HB   MET  21          2HB       MET  21  -0.787   3.639  -4.487
  141   2HB   MET  21          1HB       MET  21  -1.667   3.862  -2.982
  142   1HG   MET  21          2HG       MET  21  -1.733   5.907  -4.195
  143   2HG   MET  21          1HG       MET  21  -0.677   6.130  -2.804
  144   1HE   MET  21          1HE       MET  21  -0.338   5.943  -7.051
  145   2HE   MET  21          2HE       MET  21  -0.518   4.466  -6.104
  146   3HE   MET  21          3HE       MET  21   1.054   4.895  -6.777
  147    H    CYS  22           H        CYS  22  -0.522   2.608  -0.627
  148    HA   CYS  22           HA       CYS  22  -0.333  -0.143  -1.646
  149   1HB   CYS  22          2HB       CYS  22   0.443   0.568   1.174
  150   2HB   CYS  22          1HB       CYS  22   0.728  -0.939   0.309
  151    H    CYS  23           H        CYS  23  -2.682   0.509  -1.925
  152    HA   CYS  23           HA       CYS  23  -4.369   0.825   0.307
  153   1HB   CYS  23          2HB       CYS  23  -5.023  -0.234  -2.451
  154   2HB   CYS  23          1HB       CYS  23  -6.208   0.276  -1.254
  155    H    LYS  24           H        LYS  24  -5.753  -1.676  -1.395
  156    HA   LYS  24           HA       LYS  24  -6.075  -3.383   0.740
  157   1HB   LYS  24          2HB       LYS  24  -6.954  -4.960  -0.799
  158   2HB   LYS  24          1HB       LYS  24  -7.332  -3.376  -1.458
  159   1HG   LYS  24          2HG       LYS  24  -5.149  -5.240  -2.360
  160   2HG   LYS  24          1HG       LYS  24  -6.624  -4.827  -3.228
  161   1HD   LYS  24          2HD       LYS  24  -4.606  -2.738  -2.461
  162   2HD   LYS  24          1HD       LYS  24  -4.442  -3.680  -3.940
  163   1HE   LYS  24          2HE       LYS  24  -5.536  -1.492  -4.288
  164   2HE   LYS  24          1HE       LYS  24  -6.546  -2.855  -4.761
  165   1HZ   LYS  24          1HZ       LYS  24  -6.785  -1.548  -2.115
  166   2HZ   LYS  24          2HZ       LYS  24  -7.884  -2.591  -2.864
  167   3HZ   LYS  24          3HZ       LYS  24  -7.660  -1.026  -3.464
  168    H    THR  25           H        THR  25  -5.055  -5.194   1.505
  169    HA   THR  25           HA       THR  25  -2.260  -5.341   1.290
  170    HB   THR  25           HB       THR  25  -2.452  -7.486   2.519
  171    HG1  THR  25           1HG      THR  25  -4.454  -8.152   1.498
  172   1HG2  THR  25          1HG2      THR  25  -4.112  -6.378   4.343
  173   2HG2  THR  25          2HG2      THR  25  -3.722  -4.963   3.365
  174   3HG2  THR  25          3HG2      THR  25  -2.430  -5.893   4.125
  Start of MODEL    9
    1   1H    ASP   1          1HT       ASP   1  -7.945  -4.876  -3.583
    2   2H    ASP   1          2HT       ASP   1  -9.352  -3.987  -3.281
    3   3H    ASP   1          3HT       ASP   1  -8.239  -3.441  -4.432
    4    HA   ASP   1           HA       ASP   1  -8.899  -4.888  -6.014
    5   1HB   ASP   1          2HB       ASP   1  -8.284  -6.837  -4.638
    6   2HB   ASP   1          1HB       ASP   1  -9.809  -6.705  -3.766
    7    H    THR   2           H        THR   2 -11.079  -4.724  -3.195
    8    HA   THR   2           HA       THR   2 -13.141  -3.622  -4.979
    9    HB   THR   2           HB       THR   2 -13.652  -5.802  -2.946
   10    HG1  THR   2           1HG      THR   2 -13.278  -5.766  -5.709
   11   1HG2  THR   2          1HG2      THR   2 -15.900  -5.529  -3.240
   12   2HG2  THR   2          2HG2      THR   2 -15.720  -4.899  -4.878
   13   3HG2  THR   2          3HG2      THR   2 -15.394  -3.858  -3.492
   14    H    HIS   3           H        HIS   3 -12.831  -4.514  -1.543
   15    HA   HIS   3           HA       HIS   3 -14.198  -2.128  -0.712
   16   1HB   HIS   3          2HB       HIS   3 -14.463  -4.272   0.488
   17   2HB   HIS   3          1HB       HIS   3 -12.764  -4.217   0.944
   18    HD1  HIS   3           1HD      HIS   3 -15.699  -1.797   1.282
   19    HD2  HIS   3           2HD      HIS   3 -12.531  -3.347   3.480
   20    HE1  HIS   3           1HE      HIS   3 -15.871  -0.732   3.554
   21    HE2  HIS   3           2HE      HIS   3 -13.901  -1.628   4.843
   22    H    PHE   4           H        PHE   4 -12.433  -0.854  -1.944
   23    HA   PHE   4           HA       PHE   4  -9.846  -0.576  -1.035
   24   1HB   PHE   4          2HB       PHE   4 -10.036   1.816  -1.895
   25   2HB   PHE   4          1HB       PHE   4 -10.409   0.534  -3.039
   26    HD1  PHE   4           1HD      PHE   4 -11.984   3.002  -0.749
   27    HD2  PHE   4           2HD      PHE   4 -12.449   0.489  -4.153
   28    HE1  PHE   4           1HE      PHE   4 -14.162   4.045  -1.219
   29    HE2  PHE   4           2HE      PHE   4 -14.626   1.529  -4.629
   30    HZ   PHE   4           HZ       PHE   4 -15.486   3.310  -3.162
   31    HA   PRO   5           HA       PRO   5 -10.595   1.193   2.991
   32   1HB   PRO   5          2HB       PRO   5  -8.158   0.815   3.983
   33   2HB   PRO   5          1HB       PRO   5  -9.197  -0.565   3.607
   34   1HG   PRO   5          2HG       PRO   5  -6.883   0.538   2.080
   35   2HG   PRO   5          1HG       PRO   5  -7.360  -1.150   2.333
   36   1HD   PRO   5          2HD       PRO   5  -7.921   0.393   0.066
   37   2HD   PRO   5          1HD       PRO   5  -8.708  -1.135   0.506
   38    H    ILE   6           H        ILE   6  -8.193   2.357   4.213
   39    HA   ILE   6           HA       ILE   6  -8.490   5.043   3.264
   40    HB   ILE   6           HB       ILE   6  -6.711   5.549   4.977
   41   1HG1  ILE   6          2HG1      ILE   6  -7.015   2.586   5.525
   42   2HG1  ILE   6          1HG1      ILE   6  -5.555   3.406   4.980
   43   1HG2  ILE   6          1HG2      ILE   6  -8.855   3.977   6.321
   44   2HG2  ILE   6          2HG2      ILE   6  -9.312   5.331   5.288
   45   3HG2  ILE   6          3HG2      ILE   6  -8.252   5.597   6.672
   46   1HD1  ILE   6          1HD1      ILE   6  -6.906   3.682   7.652
   47   2HD1  ILE   6          2HD1      ILE   6  -5.552   4.677   7.115
   48   3HD1  ILE   6          3HD1      ILE   6  -5.347   2.936   7.308
   49    H    CYS   7           H        CYS   7  -6.270   2.430   2.859
   50    HA   CYS   7           HA       CYS   7  -4.447   2.098   1.563
   51   1HB   CYS   7          2HB       CYS   7  -6.105   2.866  -0.160
   52   2HB   CYS   7          1HB       CYS   7  -5.426   4.484  -0.009
   53    H    ILE   8           H        ILE   8  -3.745   3.317   3.806
   54    HA   ILE   8           HA       ILE   8  -2.550   5.797   3.780
   55    HB   ILE   8           HB       ILE   8  -0.971   4.937   5.491
   56   1HG1  ILE   8          2HG1      ILE   8  -2.303   2.276   4.932
   57   2HG1  ILE   8          1HG1      ILE   8  -0.642   2.690   4.517
   58   1HG2  ILE   8          1HG2      ILE   8  -3.677   5.300   5.664
   59   2HG2  ILE   8          2HG2      ILE   8  -2.577   5.116   7.031
   60   3HG2  ILE   8          3HG2      ILE   8  -3.455   3.718   6.410
   61   1HD1  ILE   8          1HD1      ILE   8  -1.409   3.023   7.345
   62   2HD1  ILE   8          2HD1      ILE   8   0.089   2.426   6.633
   63   3HD1  ILE   8          3HD1      ILE   8  -1.322   1.372   6.736
   64    H    PHE   9           H        PHE   9  -0.600   6.641   3.176
   65    HA   PHE   9           HA       PHE   9   0.668   5.558   0.914
   66   1HB   PHE   9          2HB       PHE   9   0.639   7.974   1.444
   67   2HB   PHE   9          1HB       PHE   9   1.716   7.676   2.804
   68    HD1  PHE   9           1HD      PHE   9   1.702   6.536  -0.760
   69    HD2  PHE   9           2HD      PHE   9   3.803   8.509   2.377
   70    HE1  PHE   9           1HE      PHE   9   3.650   6.805  -2.236
   71    HE2  PHE   9           2HE      PHE   9   5.754   8.781   0.901
   72    HZ   PHE   9           HZ       PHE   9   5.679   7.929  -1.407
   73    H    CYS  10           H        CYS  10   2.682   4.646   0.627
   74    HA   CYS  10           HA       CYS  10   4.245   3.838   2.944
   75   1HB   CYS  10          2HB       CYS  10   4.231   1.449   2.187
   76   2HB   CYS  10          1HB       CYS  10   2.676   2.011   2.795
   77    H    CYS  11           H        CYS  11   6.385   3.878   2.465
   78    HA   CYS  11           HA       CYS  11   7.177   3.650  -0.355
   79   1HB   CYS  11          2HB       CYS  11   7.018   6.038   0.210
   80   2HB   CYS  11          1HB       CYS  11   8.127   5.795   1.553
   81    H    GLY  12           H        GLY  12   8.371   1.857  -0.377
   82   1HA   GLY  12          2HA       GLY  12  10.091   1.164   1.860
   83   2HA   GLY  12          1HA       GLY  12   9.817   0.199   0.414
   84    H    CYS  13           H        CYS  13  11.993   2.059   2.044
   85    HA   CYS  13           HA       CYS  13  13.370   3.561   0.177
   86   1HB   CYS  13          2HB       CYS  13  14.081   3.928   2.353
   87   2HB   CYS  13          1HB       CYS  13  14.181   2.209   2.721
   88    H    CYS  14           H        CYS  14  14.927   0.833   1.554
   89    HA   CYS  14           HA       CYS  14  16.247   0.297  -0.984
   90   1HB   CYS  14          2HB       CYS  14  17.593  -0.834   1.224
   91   2HB   CYS  14          1HB       CYS  14  18.040   0.598   0.296
   92    H    HIS  15           H        HIS  15  15.487  -1.638   1.955
   93    HA   HIS  15           HA       HIS  15  15.741  -4.126   0.764
   94   1HB   HIS  15          2HB       HIS  15  15.373  -3.639   3.230
   95   2HB   HIS  15          1HB       HIS  15  13.661  -3.464   2.863
   96    HD1  HIS  15           1HD      HIS  15  16.202  -6.137   1.899
   97    HD2  HIS  15           2HD      HIS  15  12.464  -5.745   3.672
   98    HE1  HIS  15           1HE      HIS  15  15.451  -8.483   2.410
   99    HE2  HIS  15           2HE      HIS  15  13.160  -8.224   3.425
  100    H    ARG  16           H        ARG  16  12.724  -2.356   1.333
  101    HA   ARG  16           HA       ARG  16  11.401  -3.833  -0.813
  102   1HB   ARG  16          2HB       ARG  16  10.501  -2.140   1.468
  103   2HB   ARG  16          1HB       ARG  16   9.491  -2.163   0.032
  104   1HG   ARG  16          2HG       ARG  16   8.759  -3.779   1.704
  105   2HG   ARG  16          1HG       ARG  16   9.248  -4.556   0.198
  106   1HD   ARG  16          2HD       ARG  16  11.137  -4.256   2.513
  107   2HD   ARG  16          1HD       ARG  16  10.023  -5.618   2.398
  108    HE   ARG  16           HE       ARG  16  12.466  -5.347   1.037
  109   1HH1  ARG  16          1HH1      ARG  16   9.183  -6.386   0.486
  110   2HH1  ARG  16          2HH1      ARG  16   9.610  -7.488  -0.780
  111   1HH2  ARG  16          1HH2      ARG  16  13.034  -6.795  -0.628
  112   2HH2  ARG  16          2HH2      ARG  16  11.797  -7.721  -1.412
  113    H    SER  17           H        SER  17  12.734  -2.822  -2.493
  114    HA   SER  17           HA       SER  17  12.795  -0.013  -2.874
  115   1HB   SER  17          2HB       SER  17  13.262  -2.256  -4.853
  116   2HB   SER  17          1HB       SER  17  13.647  -0.559  -5.141
  117    HG   SER  17           HG       SER  17  15.257  -2.254  -4.143
  118    H    LYS  18           H        LYS  18  10.269  -0.154  -2.376
  119    HA   LYS  18           HA       LYS  18   8.991   0.427  -4.922
  120   1HB   LYS  18          2HB       LYS  18   6.997  -0.983  -4.284
  121   2HB   LYS  18          1HB       LYS  18   8.435  -1.877  -4.758
  122   1HG   LYS  18          2HG       LYS  18   8.974  -2.154  -2.341
  123   2HG   LYS  18          1HG       LYS  18   7.416  -1.421  -1.966
  124   1HD   LYS  18          2HD       LYS  18   7.169  -3.799  -1.863
  125   2HD   LYS  18          1HD       LYS  18   6.324  -3.223  -3.300
  126   1HE   LYS  18          2HE       LYS  18   9.117  -4.361  -3.308
  127   2HE   LYS  18          1HE       LYS  18   7.666  -5.301  -3.646
  128   1HZ   LYS  18          1HZ       LYS  18   8.245  -4.727  -5.745
  129   2HZ   LYS  18          2HZ       LYS  18   8.998  -3.283  -5.285
  130   3HZ   LYS  18          3HZ       LYS  18   7.312  -3.365  -5.379
  131    H    CYS  19           H        CYS  19   7.933   2.297  -4.709
  132    HA   CYS  19           HA       CYS  19   6.759   2.911  -2.085
  133   1HB   CYS  19          2HB       CYS  19   8.294   4.779  -3.891
  134   2HB   CYS  19          1HB       CYS  19   7.328   5.318  -2.519
  135    H    GLY  20           H        GLY  20   4.719   3.516  -2.071
  136   1HA   GLY  20          2HA       GLY  20   3.382   5.048  -3.977
  137   2HA   GLY  20          1HA       GLY  20   3.100   3.359  -4.374
  138    H    MET  21           H        MET  21   0.856   3.658  -3.928
  139    HA   MET  21           HA       MET  21   0.151   4.185  -1.138
  140   1HB   MET  21          2HB       MET  21  -1.629   3.845  -3.559
  141   2HB   MET  21          1HB       MET  21  -2.159   4.320  -1.952
  142   1HG   MET  21          2HG       MET  21  -0.819   6.357  -2.113
  143   2HG   MET  21          1HG       MET  21  -0.299   5.882  -3.729
  144   1HE   MET  21          1HE       MET  21  -3.409   5.671  -1.703
  145   2HE   MET  21          2HE       MET  21  -4.704   6.275  -2.735
  146   3HE   MET  21          3HE       MET  21  -3.731   7.402  -1.789
  147    H    CYS  22           H        CYS  22  -0.329   2.591   0.243
  148    HA   CYS  22           HA       CYS  22  -0.518  -0.133  -0.792
  149   1HB   CYS  22          2HB       CYS  22  -0.011   1.008   1.943
  150   2HB   CYS  22          1HB       CYS  22  -0.434  -0.686   1.729
  151    H    CYS  23           H        CYS  23  -2.703   0.302  -1.672
  152    HA   CYS  23           HA       CYS  23  -4.876   0.766   0.118
  153   1HB   CYS  23          2HB       CYS  23  -4.892  -0.331  -2.704
  154   2HB   CYS  23          1HB       CYS  23  -6.306   0.220  -1.812
  155    H    LYS  24           H        LYS  24  -6.040  -1.672  -1.720
  156    HA   LYS  24           HA       LYS  24  -6.352  -3.449   0.462
  157   1HB   LYS  24          2HB       LYS  24  -6.951  -3.722  -2.474
  158   2HB   LYS  24          1HB       LYS  24  -7.305  -4.988  -1.308
  159   1HG   LYS  24          2HG       LYS  24  -8.352  -2.210  -0.922
  160   2HG   LYS  24          1HG       LYS  24  -9.174  -3.354  -1.981
  161   1HD   LYS  24          2HD       LYS  24 -10.228  -3.529   0.133
  162   2HD   LYS  24          1HD       LYS  24  -9.208  -4.957  -0.029
  163   1HE   LYS  24          2HE       LYS  24  -7.496  -3.887   1.355
  164   2HE   LYS  24          1HE       LYS  24  -8.514  -2.455   1.508
  165   1HZ   LYS  24          1HZ       LYS  24  -8.860  -3.694   3.448
  166   2HZ   LYS  24          2HZ       LYS  24  -8.991  -5.159   2.611
  167   3HZ   LYS  24          3HZ       LYS  24 -10.224  -4.006   2.497
  168    H    THR  25           H        THR  25  -5.293  -5.277   1.015
  169    HA   THR  25           HA       THR  25  -2.643  -5.670   0.160
  170    HB   THR  25           HB       THR  25  -3.350  -6.386   2.368
  171    HG1  THR  25           1HG      THR  25  -2.388  -8.474   2.307
  172   1HG2  THR  25          1HG2      THR  25  -5.591  -7.077   2.074
  173   2HG2  THR  25          2HG2      THR  25  -4.707  -8.533   2.528
  174   3HG2  THR  25          3HG2      THR  25  -5.148  -8.260   0.843
  Start of MODEL   10
    1   1H    ASP   1          1HT       ASP   1  -8.650  -6.566   2.298
    2   2H    ASP   1          2HT       ASP   1  -6.963  -6.524   2.191
    3   3H    ASP   1          3HT       ASP   1  -7.784  -7.992   2.011
    4    HA   ASP   1           HA       ASP   1  -7.085  -6.128   0.041
    5   1HB   ASP   1          2HB       ASP   1  -8.671  -8.709  -0.023
    6   2HB   ASP   1          1HB       ASP   1  -7.949  -7.932  -1.430
    7    H    THR   2           H        THR   2  -9.026  -4.816   1.583
    8    HA   THR   2           HA       THR   2 -11.600  -4.964   0.362
    9    HB   THR   2           HB       THR   2 -11.486  -4.140   2.605
   10    HG1  THR   2           1HG      THR   2 -12.509  -2.035   2.261
   11   1HG2  THR   2          1HG2      THR   2  -9.390  -2.376   1.489
   12   2HG2  THR   2          2HG2      THR   2  -9.505  -3.138   3.076
   13   3HG2  THR   2          3HG2      THR   2 -10.432  -1.678   2.729
   14    H    HIS   3           H        HIS   3 -12.504  -3.741  -1.210
   15    HA   HIS   3           HA       HIS   3 -10.779  -2.596  -3.155
   16   1HB   HIS   3          2HB       HIS   3 -12.887  -3.779  -3.699
   17   2HB   HIS   3          1HB       HIS   3 -13.795  -2.455  -2.975
   18    HD1  HIS   3           1HD      HIS   3 -11.099  -2.733  -5.659
   19    HD2  HIS   3           2HD      HIS   3 -14.677  -0.770  -4.882
   20    HE1  HIS   3           1HE      HIS   3 -11.556  -1.337  -7.701
   21    HE2  HIS   3           2HE      HIS   3 -13.699  -0.115  -7.186
   22    H    PHE   4           H        PHE   4 -12.772  -1.242  -0.598
   23    HA   PHE   4           HA       PHE   4 -11.913   1.442  -1.455
   24   1HB   PHE   4          2HB       PHE   4 -14.014   2.197  -0.152
   25   2HB   PHE   4          1HB       PHE   4 -14.217   1.490  -1.749
   26    HD1  PHE   4           1HD      PHE   4 -16.201   0.356  -1.820
   27    HD2  PHE   4           2HD      PHE   4 -13.751  -0.039   1.638
   28    HE1  PHE   4           1HE      PHE   4 -17.770  -1.300  -0.900
   29    HE2  PHE   4           2HE      PHE   4 -15.315  -1.696   2.561
   30    HZ   PHE   4           HZ       PHE   4 -17.328  -2.329   1.293
   31    HA   PRO   5           HA       PRO   5 -10.360   0.617   2.922
   32   1HB   PRO   5          2HB       PRO   5  -7.711   0.823   2.442
   33   2HB   PRO   5          1HB       PRO   5  -8.585  -0.704   2.264
   34   1HG   PRO   5          2HG       PRO   5  -7.762   1.264   0.165
   35   2HG   PRO   5          1HG       PRO   5  -7.657  -0.507   0.141
   36   1HD   PRO   5          2HD       PRO   5  -9.637   0.875  -1.105
   37   2HD   PRO   5          1HD       PRO   5  -9.869  -0.753  -0.439
   38    H    ILE   6           H        ILE   6  -7.856   2.091   3.301
   39    HA   ILE   6           HA       ILE   6  -8.982   4.778   3.392
   40    HB   ILE   6           HB       ILE   6  -7.025   5.293   4.846
   41   1HG1  ILE   6          2HG1      ILE   6  -6.500   2.322   4.583
   42   2HG1  ILE   6          1HG1      ILE   6  -5.475   3.608   3.954
   43   1HG2  ILE   6          1HG2      ILE   6  -7.924   3.185   6.459
   44   2HG2  ILE   6          2HG2      ILE   6  -9.273   3.600   5.402
   45   3HG2  ILE   6          3HG2      ILE   6  -8.532   4.840   6.413
   46   1HD1  ILE   6          1HD1      ILE   6  -5.956   3.943   6.777
   47   2HD1  ILE   6          2HD1      ILE   6  -4.433   3.820   5.896
   48   3HD1  ILE   6          3HD1      ILE   6  -5.270   2.358   6.417
   49    H    CYS   7           H        CYS   7  -6.261   3.012   2.039
   50    HA   CYS   7           HA       CYS   7  -4.789   3.479   0.387
   51   1HB   CYS   7          2HB       CYS   7  -6.905   5.515  -0.244
   52   2HB   CYS   7          1HB       CYS   7  -5.435   5.388  -1.202
   53    H    ILE   8           H        ILE   8  -4.051   4.406   2.846
   54    HA   ILE   8           HA       ILE   8  -3.223   7.151   2.713
   55    HB   ILE   8           HB       ILE   8  -1.868   6.615   4.729
   56   1HG1  ILE   8          2HG1      ILE   8  -3.074   3.853   4.425
   57   2HG1  ILE   8          1HG1      ILE   8  -1.381   4.255   4.154
   58   1HG2  ILE   8          1HG2      ILE   8  -4.704   6.593   4.440
   59   2HG2  ILE   8          2HG2      ILE   8  -3.730   7.203   5.778
   60   3HG2  ILE   8          3HG2      ILE   8  -4.253   5.519   5.765
   61   1HD1  ILE   8          1HD1      ILE   8  -0.932   4.456   6.380
   62   2HD1  ILE   8          2HD1      ILE   8  -2.205   3.235   6.427
   63   3HD1  ILE   8          3HD1      ILE   8  -2.584   4.921   6.786
   64    H    PHE   9           H        PHE   9  -1.338   7.971   1.966
   65    HA   PHE   9           HA       PHE   9   0.309   6.344   0.311
   66   1HB   PHE   9          2HB       PHE   9  -0.148   8.747  -0.136
   67   2HB   PHE   9          1HB       PHE   9   0.809   9.167   1.281
   68    HD1  PHE   9           1HD      PHE   9   2.765  10.167   0.620
   69    HD2  PHE   9           2HD      PHE   9   1.360   6.776  -1.535
   70    HE1  PHE   9           1HE      PHE   9   4.794  10.214  -0.770
   71    HE2  PHE   9           2HE      PHE   9   3.389   6.815  -2.927
   72    HZ   PHE   9           HZ       PHE   9   5.109   8.536  -2.546
   73    H    CYS  10           H        CYS  10   2.221   5.372   0.717
   74    HA   CYS  10           HA       CYS  10   3.919   6.150   2.878
   75   1HB   CYS  10          2HB       CYS  10   3.686   4.366   4.361
   76   2HB   CYS  10          1HB       CYS  10   2.021   4.733   3.932
   77    H    CYS  11           H        CYS  11   5.987   5.289   2.692
   78    HA   CYS  11           HA       CYS  11   6.464   3.975   0.144
   79   1HB   CYS  11          2HB       CYS  11   7.763   6.020   0.910
   80   2HB   CYS  11          1HB       CYS  11   8.562   4.964   2.070
   81    H    GLY  12           H        GLY  12   6.840   1.898  -0.061
   82   1HA   GLY  12          2HA       GLY  12   8.476   0.262   1.364
   83   2HA   GLY  12          1HA       GLY  12   6.964   0.197   2.252
   84    H    CYS  13           H        CYS  13   8.245  -2.011   0.847
   85    HA   CYS  13           HA       CYS  13   5.980  -2.688  -0.884
   86   1HB   CYS  13          2HB       CYS  13   7.531  -2.155  -2.595
   87   2HB   CYS  13          1HB       CYS  13   8.874  -2.888  -1.722
   88    H    CYS  14           H        CYS  14   8.867  -4.351  -0.818
   89    HA   CYS  14           HA       CYS  14   7.811  -6.611   0.704
   90   1HB   CYS  14          2HB       CYS  14   9.608  -7.613  -1.072
   91   2HB   CYS  14          1HB       CYS  14   7.896  -7.401  -1.456
   92    H    HIS  15           H        HIS  15  10.856  -7.334  -0.270
   93    HA   HIS  15           HA       HIS  15  12.049  -6.936   2.267
   94   1HB   HIS  15          2HB       HIS  15  13.348  -7.396  -0.439
   95   2HB   HIS  15          1HB       HIS  15  14.189  -7.480   1.104
   96    HD1  HIS  15           1HD      HIS  15  14.509  -9.972  -0.267
   97    HD2  HIS  15           2HD      HIS  15  10.993  -9.200   1.807
   98    HE1  HIS  15           1HE      HIS  15  13.488 -12.224   0.186
   99    HE2  HIS  15           2HE      HIS  15  11.413 -11.737   1.529
  100    H    ARG  16           H        ARG  16  12.321  -5.295  -0.847
  101    HA   ARG  16           HA       ARG  16  13.639  -2.997   0.385
  102   1HB   ARG  16          2HB       ARG  16  13.955  -2.153  -1.867
  103   2HB   ARG  16          1HB       ARG  16  14.509  -3.818  -1.789
  104   1HG   ARG  16          2HG       ARG  16  11.779  -3.076  -2.795
  105   2HG   ARG  16          1HG       ARG  16  13.196  -3.130  -3.842
  106   1HD   ARG  16          2HD       ARG  16  12.163  -5.431  -2.188
  107   2HD   ARG  16          1HD       ARG  16  11.878  -5.211  -3.913
  108    HE   ARG  16           HE       ARG  16  14.640  -5.152  -3.443
  109   1HH1  ARG  16          1HH1      ARG  16  11.968  -7.387  -3.351
  110   2HH1  ARG  16          2HH1      ARG  16  12.946  -8.770  -3.715
  111   1HH2  ARG  16          1HH2      ARG  16  15.934  -6.966  -3.925
  112   2HH2  ARG  16          2HH2      ARG  16  15.201  -8.531  -4.039
  113    H    SER  17           H        SER  17  12.610  -1.050   0.680
  114    HA   SER  17           HA       SER  17   9.750  -1.095   0.589
  115   1HB   SER  17          2HB       SER  17  11.675   1.085   1.437
  116   2HB   SER  17          1HB       SER  17   9.927   1.143   1.654
  117    HG   SER  17           HG       SER  17  11.834  -0.456   2.946
  118    H    LYS  18           H        LYS  18   8.446  -0.216  -0.903
  119    HA   LYS  18           HA       LYS  18   9.687   1.545  -2.922
  120   1HB   LYS  18          2HB       LYS  18   7.487  -0.488  -3.332
  121   2HB   LYS  18          1HB       LYS  18   8.059   0.634  -4.559
  122   1HG   LYS  18          2HG       LYS  18   9.787  -1.444  -3.228
  123   2HG   LYS  18          1HG       LYS  18   8.961  -1.674  -4.769
  124   1HD   LYS  18          2HD       LYS  18  11.055   0.420  -4.167
  125   2HD   LYS  18          1HD       LYS  18  11.291  -1.048  -5.112
  126   1HE   LYS  18          2HE       LYS  18   9.406   1.202  -5.805
  127   2HE   LYS  18          1HE       LYS  18  10.984   0.921  -6.540
  128   1HZ   LYS  18          1HZ       LYS  18  10.185  -1.205  -7.362
  129   2HZ   LYS  18          2HZ       LYS  18   9.198   0.052  -7.914
  130   3HZ   LYS  18          3HZ       LYS  18   8.672  -0.942  -6.650
  131    H    CYS  19           H        CYS  19   8.954   3.537  -2.863
  132    HA   CYS  19           HA       CYS  19   6.787   4.377  -1.293
  133   1HB   CYS  19          2HB       CYS  19   8.154   5.821  -3.567
  134   2HB   CYS  19          1HB       CYS  19   7.096   6.569  -2.379
  135    H    GLY  20           H        GLY  20   4.655   4.477  -1.653
  136   1HA   GLY  20          2HA       GLY  20   3.420   5.141  -4.059
  137   2HA   GLY  20          1HA       GLY  20   3.526   3.389  -4.021
  138    H    MET  21           H        MET  21   1.080   4.098  -4.185
  139    HA   MET  21           HA       MET  21  -0.265   4.919  -1.849
  140   1HB   MET  21          2HB       MET  21  -1.281   3.244  -4.154
  141   2HB   MET  21          1HB       MET  21  -2.291   4.020  -2.942
  142   1HG   MET  21          2HG       MET  21  -0.507   5.406  -4.928
  143   2HG   MET  21          1HG       MET  21  -2.266   5.305  -4.989
  144   1HE   MET  21          1HE       MET  21  -3.226   5.507  -2.364
  145   2HE   MET  21          2HE       MET  21  -3.881   7.004  -3.027
  146   3HE   MET  21          3HE       MET  21  -3.015   7.025  -1.491
  147    H    CYS  22           H        CYS  22  -1.007   3.834  -0.106
  148    HA   CYS  22           HA       CYS  22  -0.429   0.947   0.002
  149   1HB   CYS  22          2HB       CYS  22  -0.474   2.863   2.338
  150   2HB   CYS  22          1HB       CYS  22   0.119   1.202   2.324
  151    H    CYS  23           H        CYS  23  -2.788   1.418  -1.049
  152    HA   CYS  23           HA       CYS  23  -4.965   1.926   0.622
  153   1HB   CYS  23          2HB       CYS  23  -4.781   0.191  -1.844
  154   2HB   CYS  23          1HB       CYS  23  -6.292   0.671  -1.085
  155    H    LYS  24           H        LYS  24  -4.274  -1.324  -0.657
  156    HA   LYS  24           HA       LYS  24  -5.690  -2.583   1.449
  157   1HB   LYS  24          2HB       LYS  24  -4.650  -4.698   0.495
  158   2HB   LYS  24          1HB       LYS  24  -5.658  -3.753  -0.588
  159   1HG   LYS  24          2HG       LYS  24  -3.795  -4.433  -1.845
  160   2HG   LYS  24          1HG       LYS  24  -3.540  -2.727  -1.484
  161   1HD   LYS  24          2HD       LYS  24  -1.476  -3.988  -1.199
  162   2HD   LYS  24          1HD       LYS  24  -2.031  -3.348   0.347
  163   1HE   LYS  24          2HE       LYS  24  -1.251  -5.655   0.564
  164   2HE   LYS  24          1HE       LYS  24  -2.972  -5.521   0.923
  165   1HZ   LYS  24          1HZ       LYS  24  -3.468  -6.899  -0.728
  166   2HZ   LYS  24          2HZ       LYS  24  -1.819  -7.257  -0.841
  167   3HZ   LYS  24          3HZ       LYS  24  -2.493  -6.070  -1.837
  168    H    THR  25           H        THR  25  -4.916  -3.982   3.080
  169    HA   THR  25           HA       THR  25  -2.121  -4.072   3.743
  170    HB   THR  25           HB       THR  25  -3.969  -2.494   5.548
  171    HG1  THR  25           1HG      THR  25  -1.783  -1.148   4.889
  172   1HG2  THR  25          1HG2      THR  25  -1.674  -2.079   6.706
  173   2HG2  THR  25          2HG2      THR  25  -1.194  -3.569   5.894
  174   3HG2  THR  25          3HG2      THR  25  -2.546  -3.578   7.028
  Start of MODEL   11
    1   1H    ASP   1          1HT       ASP   1  -7.318  -4.317  -3.445
    2   2H    ASP   1          2HT       ASP   1  -8.639  -3.349  -3.025
    3   3H    ASP   1          3HT       ASP   1  -8.097  -3.390  -4.626
    4    HA   ASP   1           HA       ASP   1 -10.012  -4.715  -4.594
    5   1HB   ASP   1          2HB       ASP   1  -7.557  -6.476  -4.370
    6   2HB   ASP   1          1HB       ASP   1  -9.080  -6.943  -5.121
    7    H    THR   2           H        THR   2  -7.759  -5.898  -2.104
    8    HA   THR   2           HA       THR   2  -9.762  -7.472  -0.796
    9    HB   THR   2           HB       THR   2  -8.055  -7.836   0.941
   10    HG1  THR   2           1HG      THR   2  -6.282  -6.235  -0.583
   11   1HG2  THR   2          1HG2      THR   2  -6.173  -8.370  -1.013
   12   2HG2  THR   2          2HG2      THR   2  -7.700  -8.368  -1.896
   13   3HG2  THR   2          3HG2      THR   2  -7.483  -9.440  -0.511
   14    H    HIS   3           H        HIS   3  -8.445  -6.407   1.851
   15    HA   HIS   3           HA       HIS   3 -10.658  -4.834   2.662
   16   1HB   HIS   3          2HB       HIS   3  -8.006  -5.301   4.043
   17   2HB   HIS   3          1HB       HIS   3  -9.442  -4.612   4.793
   18    HD1  HIS   3           1HD      HIS   3 -11.642  -6.411   4.382
   19    HD2  HIS   3           2HD      HIS   3  -7.774  -7.900   4.690
   20    HE1  HIS   3           1HE      HIS   3 -11.901  -8.827   5.028
   21    HE2  HIS   3           2HE      HIS   3  -9.549  -9.732   5.114
   22    H    PHE   4           H        PHE   4 -10.479  -3.187   0.985
   23    HA   PHE   4           HA       PHE   4  -8.454  -1.443   0.505
   24   1HB   PHE   4          2HB       PHE   4 -10.391   0.307   0.234
   25   2HB   PHE   4          1HB       PHE   4 -10.282  -1.077  -0.845
   26    HD1  PHE   4           1HD      PHE   4 -11.793  -0.291   2.492
   27    HD2  PHE   4           2HD      PHE   4 -12.246  -2.128  -1.320
   28    HE1  PHE   4           1HE      PHE   4 -14.086  -0.948   3.087
   29    HE2  PHE   4           2HE      PHE   4 -14.542  -2.786  -0.733
   30    HZ   PHE   4           HZ       PHE   4 -15.466  -2.198   1.473
   31    HA   PRO   5           HA       PRO   5  -7.890   0.632   4.402
   32   1HB   PRO   5          2HB       PRO   5  -5.656   1.946   3.773
   33   2HB   PRO   5          1HB       PRO   5  -5.669   0.184   3.918
   34   1HG   PRO   5          2HG       PRO   5  -5.676   1.890   1.472
   35   2HG   PRO   5          1HG       PRO   5  -4.846   0.352   1.767
   36   1HD   PRO   5          2HD       PRO   5  -7.261   0.672   0.400
   37   2HD   PRO   5          1HD       PRO   5  -6.635  -0.852   1.057
   38    H    ILE   6           H        ILE   6  -6.343   3.191   3.959
   39    HA   ILE   6           HA       ILE   6  -8.575   4.944   3.179
   40    HB   ILE   6           HB       ILE   6  -7.186   6.483   4.921
   41   1HG1  ILE   6          2HG1      ILE   6  -7.126   3.670   6.030
   42   2HG1  ILE   6          1HG1      ILE   6  -5.725   4.638   5.588
   43   1HG2  ILE   6          1HG2      ILE   6  -9.009   5.931   6.554
   44   2HG2  ILE   6          2HG2      ILE   6  -9.517   4.652   5.453
   45   3HG2  ILE   6          3HG2      ILE   6  -9.566   6.335   4.930
   46   1HD1  ILE   6          1HD1      ILE   6  -7.246   6.163   7.410
   47   2HD1  ILE   6          2HD1      ILE   6  -5.658   5.434   7.648
   48   3HD1  ILE   6          3HD1      ILE   6  -7.114   4.530   8.063
   49    H    CYS   7           H        CYS   7  -6.394   4.022   1.565
   50    HA   CYS   7           HA       CYS   7  -4.898   4.780   0.049
   51   1HB   CYS   7          2HB       CYS   7  -6.298   7.353   0.727
   52   2HB   CYS   7          1HB       CYS   7  -5.012   7.285  -0.469
   53    H    ILE   8           H        ILE   8  -4.105   4.628   2.901
   54    HA   ILE   8           HA       ILE   8  -2.371   6.742   3.565
   55    HB   ILE   8           HB       ILE   8  -1.349   5.302   5.166
   56   1HG1  ILE   8          2HG1      ILE   8  -2.577   2.981   3.651
   57   2HG1  ILE   8          1HG1      ILE   8  -0.868   3.391   3.713
   58   1HG2  ILE   8          1HG2      ILE   8  -3.193   5.374   6.378
   59   2HG2  ILE   8          2HG2      ILE   8  -3.796   3.930   5.564
   60   3HG2  ILE   8          3HG2      ILE   8  -4.154   5.526   4.906
   61   1HD1  ILE   8          1HD1      ILE   8  -0.651   2.081   5.473
   62   2HD1  ILE   8          2HD1      ILE   8  -2.385   1.763   5.484
   63   3HD1  ILE   8          3HD1      ILE   8  -1.735   3.138   6.377
   64    H    PHE   9           H        PHE   9  -0.206   7.101   3.204
   65    HA   PHE   9           HA       PHE   9   0.878   6.132   0.760
   66   1HB   PHE   9          2HB       PHE   9   1.427   8.365   1.602
   67   2HB   PHE   9          1HB       PHE   9   2.190   7.661   3.022
   68    HD1  PHE   9           1HD      PHE   9   4.431   8.142   2.924
   69    HD2  PHE   9           2HD      PHE   9   2.459   6.800  -0.601
   70    HE1  PHE   9           1HE      PHE   9   6.589   8.085   1.745
   71    HE2  PHE   9           2HE      PHE   9   4.615   6.738  -1.786
   72    HZ   PHE   9           HZ       PHE   9   6.682   7.380  -0.613
   73    H    CYS  10           H        CYS  10   1.978   4.299   0.403
   74    HA   CYS  10           HA       CYS  10   3.262   2.994   2.704
   75   1HB   CYS  10          2HB       CYS  10   1.545   1.816   0.543
   76   2HB   CYS  10          1HB       CYS  10   2.726   0.824   1.387
   77    H    CYS  11           H        CYS  11   5.394   3.037   2.444
   78    HA   CYS  11           HA       CYS  11   6.479   2.322  -0.185
   79   1HB   CYS  11          2HB       CYS  11   6.588   4.783   0.025
   80   2HB   CYS  11          1HB       CYS  11   7.512   4.606   1.512
   81    H    GLY  12           H        GLY  12   7.545   0.478   0.140
   82   1HA   GLY  12          2HA       GLY  12   8.574  -0.300   2.686
   83   2HA   GLY  12          1HA       GLY  12   8.852  -1.130   1.158
   84    H    CYS  13           H        CYS  13  10.467   0.077   3.576
   85    HA   CYS  13           HA       CYS  13  12.312   1.933   2.516
   86   1HB   CYS  13          2HB       CYS  13  13.588   1.573   4.502
   87   2HB   CYS  13          1HB       CYS  13  11.897   1.444   4.969
   88    H    CYS  14           H        CYS  14  12.579  -1.483   3.194
   89    HA   CYS  14           HA       CYS  14  15.019  -1.561   1.585
   90   1HB   CYS  14          2HB       CYS  14  14.330  -3.353   3.888
   91   2HB   CYS  14          1HB       CYS  14  15.921  -2.894   3.276
   92    H    HIS  15           H        HIS  15  12.573  -3.910   2.813
   93    HA   HIS  15           HA       HIS  15  13.129  -5.790   0.778
   94   1HB   HIS  15          2HB       HIS  15  11.888  -6.243   2.953
   95   2HB   HIS  15          1HB       HIS  15  10.477  -5.502   2.203
   96    HD1  HIS  15           1HD      HIS  15  12.944  -8.227   1.191
   97    HD2  HIS  15           2HD      HIS  15   8.873  -7.399   1.154
   98    HE1  HIS  15           1HE      HIS  15  11.855 -10.248   0.164
   99    HE2  HIS  15           2HE      HIS  15   9.389  -9.736   0.174
  100    H    ARG  16           H        ARG  16  10.280  -3.702   1.182
  101    HA   ARG  16           HA       ARG  16   9.759  -3.824  -1.687
  102   1HB   ARG  16          2HB       ARG  16   8.191  -2.920   0.694
  103   2HB   ARG  16          1HB       ARG  16   7.803  -2.242  -0.879
  104   1HG   ARG  16          2HG       ARG  16   6.354  -4.001  -0.734
  105   2HG   ARG  16          1HG       ARG  16   7.694  -4.698  -1.642
  106   1HD   ARG  16          2HD       ARG  16   8.565  -5.720   0.388
  107   2HD   ARG  16          1HD       ARG  16   7.273  -4.977   1.332
  108    HE   ARG  16           HE       ARG  16   6.223  -6.566  -0.774
  109   1HH1  ARG  16          1HH1      ARG  16   7.640  -6.752   2.405
  110   2HH1  ARG  16          2HH1      ARG  16   6.915  -8.280   2.777
  111   1HH2  ARG  16          1HH2      ARG  16   5.264  -8.572  -0.291
  112   2HH2  ARG  16          2HH2      ARG  16   5.567  -9.317   1.243
  113    H    SER  17           H        SER  17  11.992  -2.580  -1.703
  114    HA   SER  17           HA       SER  17  12.119   0.126  -0.963
  115   1HB   SER  17          2HB       SER  17  13.606  -1.330  -3.161
  116   2HB   SER  17          1HB       SER  17  14.030   0.266  -2.542
  117    HG   SER  17           HG       SER  17  14.726  -2.107  -1.580
  118    H    LYS  18           H        LYS  18   9.740   0.317  -1.816
  119    HA   LYS  18           HA       LYS  18   9.898   1.940  -4.223
  120   1HB   LYS  18          2HB       LYS  18   7.810   0.791  -5.124
  121   2HB   LYS  18          1HB       LYS  18   9.325  -0.090  -5.270
  122   1HG   LYS  18          2HG       LYS  18   8.750  -1.410  -3.296
  123   2HG   LYS  18          1HG       LYS  18   7.228  -0.529  -3.154
  124   1HD   LYS  18          2HD       LYS  18   6.950  -2.720  -4.235
  125   2HD   LYS  18          1HD       LYS  18   6.495  -1.387  -5.299
  126   1HE   LYS  18          2HE       LYS  18   8.688  -1.546  -6.399
  127   2HE   LYS  18          1HE       LYS  18   9.107  -2.899  -5.349
  128   1HZ   LYS  18          1HZ       LYS  18   8.239  -3.445  -7.651
  129   2HZ   LYS  18          2HZ       LYS  18   6.718  -2.962  -7.091
  130   3HZ   LYS  18          3HZ       LYS  18   7.517  -4.259  -6.356
  131    H    CYS  19           H        CYS  19   8.563   3.674  -4.166
  132    HA   CYS  19           HA       CYS  19   6.798   3.906  -1.838
  133   1HB   CYS  19          2HB       CYS  19   8.046   5.968  -3.646
  134   2HB   CYS  19          1HB       CYS  19   6.778   6.369  -2.495
  135    H    GLY  20           H        GLY  20   4.632   4.163  -2.008
  136   1HA   GLY  20          2HA       GLY  20   3.235   5.131  -4.228
  137   2HA   GLY  20          1HA       GLY  20   3.332   3.384  -4.388
  138    H    MET  21           H        MET  21   1.045   5.258  -3.891
  139    HA   MET  21           HA       MET  21   0.123   4.919  -1.245
  140   1HB   MET  21          2HB       MET  21  -1.464   5.340  -3.785
  141   2HB   MET  21          1HB       MET  21  -2.091   5.526  -2.153
  142   1HG   MET  21          2HG       MET  21  -0.501   7.342  -1.755
  143   2HG   MET  21          1HG       MET  21   0.106   7.161  -3.401
  144   1HE   MET  21          1HE       MET  21  -3.007   8.174  -5.536
  145   2HE   MET  21          2HE       MET  21  -2.798   6.540  -4.906
  146   3HE   MET  21          3HE       MET  21  -1.408   7.430  -5.526
  147    H    CYS  22           H        CYS  22  -0.599   3.168  -0.242
  148    HA   CYS  22           HA       CYS  22  -1.111   0.743  -1.774
  149   1HB   CYS  22          2HB       CYS  22  -1.244  -0.307   0.510
  150   2HB   CYS  22          1HB       CYS  22   0.295   0.472   0.155
  151    H    CYS  23           H        CYS  23  -3.035   2.725  -2.187
  152    HA   CYS  23           HA       CYS  23  -5.316   2.086  -0.506
  153   1HB   CYS  23          2HB       CYS  23  -4.679   4.415  -1.438
  154   2HB   CYS  23          1HB       CYS  23  -5.423   3.850  -2.931
  155    H    LYS  24           H        LYS  24  -4.777  -0.235  -1.606
  156    HA   LYS  24           HA       LYS  24  -5.696  -0.797  -4.173
  157   1HB   LYS  24          2HB       LYS  24  -5.848  -2.528  -1.697
  158   2HB   LYS  24          1HB       LYS  24  -6.064  -3.106  -3.344
  159   1HG   LYS  24          2HG       LYS  24  -3.767  -2.423  -3.870
  160   2HG   LYS  24          1HG       LYS  24  -3.557  -1.887  -2.203
  161   1HD   LYS  24          2HD       LYS  24  -4.213  -4.707  -3.058
  162   2HD   LYS  24          1HD       LYS  24  -2.609  -4.130  -2.606
  163   1HE   LYS  24          2HE       LYS  24  -3.448  -3.573  -0.370
  164   2HE   LYS  24          1HE       LYS  24  -5.045  -4.162  -0.826
  165   1HZ   LYS  24          1HZ       LYS  24  -3.187  -5.654   0.376
  166   2HZ   LYS  24          2HZ       LYS  24  -2.875  -6.033  -1.242
  167   3HZ   LYS  24          3HZ       LYS  24  -4.417  -6.288  -0.598
  168    H    THR  25           H        THR  25  -7.625  -0.484  -5.051
  169    HA   THR  25           HA       THR  25  -9.917   0.208  -3.544
  170    HB   THR  25           HB       THR  25  -9.776   1.135  -5.711
  171    HG1  THR  25           1HG      THR  25 -11.865  -0.211  -4.958
  172   1HG2  THR  25          1HG2      THR  25  -8.463  -0.102  -7.095
  173   2HG2  THR  25          2HG2      THR  25 -10.030  -0.657  -7.681
  174   3HG2  THR  25          3HG2      THR  25  -9.121  -1.637  -6.530
  Start of MODEL   12
    1   1H    ASP   1          1HT       ASP   1  -8.086  -6.639  -0.416
    2   2H    ASP   1          2HT       ASP   1  -7.933  -4.959  -0.293
    3   3H    ASP   1          3HT       ASP   1  -6.855  -5.837  -1.256
    4    HA   ASP   1           HA       ASP   1  -8.304  -4.892  -2.780
    5   1HB   ASP   1          2HB       ASP   1  -9.593  -6.869  -3.614
    6   2HB   ASP   1          1HB       ASP   1  -7.918  -7.238  -3.218
    7    H    THR   2           H        THR   2  -9.268  -3.814  -0.389
    8    HA   THR   2           HA       THR   2 -12.071  -4.375  -0.114
    9    HB   THR   2           HB       THR   2 -12.079  -2.378   1.391
   10    HG1  THR   2           1HG      THR   2  -9.264  -2.386   1.023
   11   1HG2  THR   2          1HG2      THR   2  -9.808  -4.214   2.102
   12   2HG2  THR   2          2HG2      THR   2 -11.481  -4.772   2.078
   13   3HG2  THR   2          3HG2      THR   2 -10.999  -3.473   3.170
   14    H    HIS   3           H        HIS   3 -13.797  -3.050  -0.656
   15    HA   HIS   3           HA       HIS   3 -13.634  -1.778  -3.165
   16   1HB   HIS   3          2HB       HIS   3 -15.831  -1.746  -1.093
   17   2HB   HIS   3          1HB       HIS   3 -16.002  -1.139  -2.735
   18    HD1  HIS   3           1HD      HIS   3 -17.961  -3.174  -2.265
   19    HD2  HIS   3           2HD      HIS   3 -14.061  -4.243  -3.218
   20    HE1  HIS   3           1HE      HIS   3 -18.104  -5.523  -3.146
   21    HE2  HIS   3           2HE      HIS   3 -15.749  -6.107  -3.821
   22    H    PHE   4           H        PHE   4 -13.792  -0.450   0.126
   23    HA   PHE   4           HA       PHE   4 -13.165   2.175  -1.032
   24   1HB   PHE   4          2HB       PHE   4 -14.602   3.108   0.909
   25   2HB   PHE   4          1HB       PHE   4 -15.401   2.490  -0.529
   26    HD1  PHE   4           1HD      PHE   4 -14.012   0.732   2.466
   27    HD2  PHE   4           2HD      PHE   4 -17.433   1.645   0.101
   28    HE1  PHE   4           1HE      PHE   4 -15.371  -0.780   3.853
   29    HE2  PHE   4           2HE      PHE   4 -18.795   0.135   1.485
   30    HZ   PHE   4           HZ       PHE   4 -17.766  -1.080   3.363
   31    HA   PRO   5           HA       PRO   5 -10.275   1.130   2.515
   32   1HB   PRO   5          2HB       PRO   5  -7.974   1.034   1.142
   33   2HB   PRO   5          1HB       PRO   5  -9.037  -0.370   1.279
   34   1HG   PRO   5          2HG       PRO   5  -8.738   1.565  -0.985
   35   2HG   PRO   5          1HG       PRO   5  -8.891  -0.201  -1.039
   36   1HD   PRO   5          2HD       PRO   5 -10.968   1.512  -1.504
   37   2HD   PRO   5          1HD       PRO   5 -11.175  -0.127  -0.858
   38    H    ILE   6           H        ILE   6  -8.377   2.375   3.226
   39    HA   ILE   6           HA       ILE   6  -8.739   5.193   2.686
   40    HB   ILE   6           HB       ILE   6  -6.900   5.434   4.427
   41   1HG1  ILE   6          2HG1      ILE   6  -7.394   2.457   4.654
   42   2HG1  ILE   6          1HG1      ILE   6  -5.880   3.239   4.216
   43   1HG2  ILE   6          1HG2      ILE   6  -9.011   3.911   5.779
   44   2HG2  ILE   6          2HG2      ILE   6  -9.594   5.142   4.659
   45   3HG2  ILE   6          3HG2      ILE   6  -8.515   5.591   5.980
   46   1HD1  ILE   6          1HD1      ILE   6  -5.543   4.034   6.400
   47   2HD1  ILE   6          2HD1      ILE   6  -6.078   2.363   6.579
   48   3HD1  ILE   6          3HD1      ILE   6  -7.206   3.687   6.869
   49    H    CYS   7           H        CYS   7  -6.527   2.650   1.909
   50    HA   CYS   7           HA       CYS   7  -4.765   2.488   0.503
   51   1HB   CYS   7          2HB       CYS   7  -6.312   3.690  -1.043
   52   2HB   CYS   7          1HB       CYS   7  -5.587   5.209  -0.523
   53    H    ILE   8           H        ILE   8  -3.961   3.112   2.933
   54    HA   ILE   8           HA       ILE   8  -2.526   5.494   3.293
   55    HB   ILE   8           HB       ILE   8  -1.211   4.229   4.992
   56   1HG1  ILE   8          2HG1      ILE   8  -2.937   1.909   4.092
   57   2HG1  ILE   8          1HG1      ILE   8  -1.203   2.052   3.827
   58   1HG2  ILE   8          1HG2      ILE   8  -2.965   5.086   6.097
   59   2HG2  ILE   8          2HG2      ILE   8  -3.522   3.414   6.147
   60   3HG2  ILE   8          3HG2      ILE   8  -4.129   4.509   4.905
   61   1HD1  ILE   8          1HD1      ILE   8  -2.009   2.313   6.624
   62   2HD1  ILE   8          2HD1      ILE   8  -0.714   1.363   5.894
   63   3HD1  ILE   8          3HD1      ILE   8  -2.367   0.745   5.900
   64    H    PHE   9           H        PHE   9  -0.444   6.099   2.891
   65    HA   PHE   9           HA       PHE   9   0.852   5.074   0.624
   66   1HB   PHE   9          2HB       PHE   9   1.133   7.391   1.439
   67   2HB   PHE   9          1HB       PHE   9   2.018   6.785   2.833
   68    HD1  PHE   9           1HD      PHE   9   4.211   7.434   2.653
   69    HD2  PHE   9           2HD      PHE   9   2.210   5.957  -0.802
   70    HE1  PHE   9           1HE      PHE   9   6.313   7.573   1.380
   71    HE2  PHE   9           2HE      PHE   9   4.310   6.091  -2.079
   72    HZ   PHE   9           HZ       PHE   9   6.364   6.899  -0.988
   73    H    CYS  10           H        CYS  10   2.648   3.789   0.353
   74    HA   CYS  10           HA       CYS  10   3.928   2.587   2.671
   75   1HB   CYS  10          2HB       CYS  10   3.503   0.285   1.872
   76   2HB   CYS  10          1HB       CYS  10   2.009   1.117   2.299
   77    H    CYS  11           H        CYS  11   6.058   2.600   2.268
   78    HA   CYS  11           HA       CYS  11   6.958   2.023  -0.465
   79   1HB   CYS  11          2HB       CYS  11   6.980   4.481  -0.135
   80   2HB   CYS  11          1HB       CYS  11   8.059   4.268   1.240
   81    H    GLY  12           H        GLY  12   8.318   0.376  -0.455
   82   1HA   GLY  12          2HA       GLY  12   9.404  -0.704   1.941
   83   2HA   GLY  12          1HA       GLY  12   9.783  -1.226   0.307
   84    H    CYS  13           H        CYS  13  11.291  -0.441   2.900
   85    HA   CYS  13           HA       CYS  13  12.918   1.768   2.493
   86   1HB   CYS  13          2HB       CYS  13  13.130   0.884   4.622
   87   2HB   CYS  13          1HB       CYS  13  13.232  -0.774   4.035
   88    H    CYS  14           H        CYS  14  14.197  -1.440   2.406
   89    HA   CYS  14           HA       CYS  14  16.052  -0.638   0.290
   90   1HB   CYS  14          2HB       CYS  14  17.157  -2.685   1.838
   91   2HB   CYS  14          1HB       CYS  14  17.531  -0.963   1.934
   92    H    HIS  15           H        HIS  15  14.687  -3.640   1.742
   93    HA   HIS  15           HA       HIS  15  15.354  -5.320  -0.391
   94   1HB   HIS  15          2HB       HIS  15  12.972  -5.492   1.478
   95   2HB   HIS  15          1HB       HIS  15  13.519  -6.794   0.426
   96    HD1  HIS  15           1HD      HIS  15  13.511  -7.768   3.099
   97    HD2  HIS  15           2HD      HIS  15  16.665  -5.390   1.809
   98    HE1  HIS  15           1HE      HIS  15  15.406  -8.248   4.680
   99    HE2  HIS  15           2HE      HIS  15  17.282  -6.747   3.923
  100    H    ARG  16           H        ARG  16  12.084  -4.153   0.321
  101    HA   ARG  16           HA       ARG  16  11.454  -4.185  -2.527
  102   1HB   ARG  16          2HB       ARG  16   9.116  -3.741  -1.779
  103   2HB   ARG  16          1HB       ARG  16   9.783  -5.231  -1.132
  104   1HG   ARG  16          2HG       ARG  16   9.836  -2.687   0.448
  105   2HG   ARG  16          1HG       ARG  16   8.414  -3.728   0.423
  106   1HD   ARG  16          2HD       ARG  16   9.760  -5.593   1.244
  107   2HD   ARG  16          1HD       ARG  16  11.194  -4.567   1.242
  108    HE   ARG  16           HE       ARG  16   9.242  -3.331   2.810
  109   1HH1  ARG  16          1HH1      ARG  16  11.230  -6.194   2.842
  110   2HH1  ARG  16          2HH1      ARG  16  11.291  -6.288   4.571
  111   1HH2  ARG  16          1HH2      ARG  16   9.323  -3.444   5.085
  112   2HH2  ARG  16          2HH2      ARG  16  10.208  -4.725   5.845
  113    H    SER  17           H        SER  17  13.282  -2.369  -2.078
  114    HA   SER  17           HA       SER  17  12.625   0.170  -1.203
  115   1HB   SER  17          2HB       SER  17  14.554   0.931  -2.559
  116   2HB   SER  17          1HB       SER  17  14.926  -0.503  -1.603
  117    HG   SER  17           HG       SER  17  14.543  -0.258  -4.376
  118    H    LYS  18           H        LYS  18  10.436   0.195  -2.062
  119    HA   LYS  18           HA       LYS  18  10.381   1.810  -4.473
  120   1HB   LYS  18          2HB       LYS  18   8.359   0.441  -5.312
  121   2HB   LYS  18          1HB       LYS  18   9.979  -0.161  -5.615
  122   1HG   LYS  18          2HG       LYS  18   8.613  -1.996  -4.961
  123   2HG   LYS  18          1HG       LYS  18   9.728  -1.653  -3.640
  124   1HD   LYS  18          2HD       LYS  18   8.012  -0.559  -2.389
  125   2HD   LYS  18          1HD       LYS  18   6.892  -0.641  -3.751
  126   1HE   LYS  18          2HE       LYS  18   6.920  -3.093  -3.599
  127   2HE   LYS  18          1HE       LYS  18   8.011  -2.985  -2.219
  128   1HZ   LYS  18          1HZ       LYS  18   5.541  -3.271  -1.754
  129   2HZ   LYS  18          2HZ       LYS  18   5.378  -1.649  -2.201
  130   3HZ   LYS  18          3HZ       LYS  18   6.357  -2.069  -0.888
  131    H    CYS  19           H        CYS  19   8.760   3.307  -4.549
  132    HA   CYS  19           HA       CYS  19   7.088   3.461  -2.141
  133   1HB   CYS  19          2HB       CYS  19   8.042   5.575  -4.067
  134   2HB   CYS  19          1HB       CYS  19   6.785   5.882  -2.875
  135    H    GLY  20           H        GLY  20   4.910   3.502  -2.237
  136   1HA   GLY  20          2HA       GLY  20   3.371   4.162  -4.511
  137   2HA   GLY  20          1HA       GLY  20   3.567   2.416  -4.437
  138    H    MET  21           H        MET  21   1.106   3.956  -4.160
  139    HA   MET  21           HA       MET  21   0.423   3.872  -1.356
  140   1HB   MET  21          2HB       MET  21  -1.292   4.356  -3.797
  141   2HB   MET  21          1HB       MET  21  -1.826   4.548  -2.134
  142   1HG   MET  21          2HG       MET  21  -0.211   6.322  -1.792
  143   2HG   MET  21          1HG       MET  21   0.400   6.103  -3.431
  144   1HE   MET  21          1HE       MET  21  -2.534   7.309  -5.645
  145   2HE   MET  21          2HE       MET  21  -2.459   5.651  -5.050
  146   3HE   MET  21          3HE       MET  21  -0.983   6.472  -5.559
  147    H    CYS  22           H        CYS  22  -0.352   2.174  -0.273
  148    HA   CYS  22           HA       CYS  22  -1.008  -0.269  -1.708
  149   1HB   CYS  22          2HB       CYS  22  -0.671   0.376   1.218
  150   2HB   CYS  22          1HB       CYS  22  -1.298  -1.174   0.671
  151    H    CYS  23           H        CYS  23  -2.918   1.161  -2.576
  152    HA   CYS  23           HA       CYS  23  -5.119   1.824  -1.062
  153   1HB   CYS  23          2HB       CYS  23  -4.881   0.881  -3.904
  154   2HB   CYS  23          1HB       CYS  23  -6.446   1.281  -3.206
  155    H    LYS  24           H        LYS  24  -4.416  -1.343  -2.524
  156    HA   LYS  24           HA       LYS  24  -6.744  -2.684  -1.967
  157   1HB   LYS  24          2HB       LYS  24  -3.975  -3.831  -1.608
  158   2HB   LYS  24          1HB       LYS  24  -5.453  -4.728  -1.932
  159   1HG   LYS  24          2HG       LYS  24  -5.601  -3.859  -4.132
  160   2HG   LYS  24          1HG       LYS  24  -4.325  -2.679  -3.819
  161   1HD   LYS  24          2HD       LYS  24  -2.721  -4.516  -3.519
  162   2HD   LYS  24          1HD       LYS  24  -4.000  -5.678  -3.876
  163   1HE   LYS  24          2HE       LYS  24  -2.577  -5.239  -5.826
  164   2HE   LYS  24          1HE       LYS  24  -4.250  -4.758  -6.104
  165   1HZ   LYS  24          1HZ       LYS  24  -2.963  -2.540  -5.070
  166   2HZ   LYS  24          2HZ       LYS  24  -3.484  -2.771  -6.663
  167   3HZ   LYS  24          3HZ       LYS  24  -1.905  -3.183  -6.222
  168    H    THR  25           H        THR  25  -3.993  -2.192   0.224
  169    HA   THR  25           HA       THR  25  -5.774  -2.490   2.508
  170    HB   THR  25           HB       THR  25  -4.223  -4.046   3.667
  171    HG1  THR  25           1HG      THR  25  -2.316  -3.983   2.647
  172   1HG2  THR  25          1HG2      THR  25  -6.266  -4.721   2.154
  173   2HG2  THR  25          2HG2      THR  25  -5.200  -5.954   2.827
  174   3HG2  THR  25          3HG2      THR  25  -5.009  -5.443   1.150
  Start of MODEL   13
    1   1H    ASP   1          1HT       ASP   1  -8.732  -4.995  -4.578
    2   2H    ASP   1          2HT       ASP   1  -7.510  -4.436  -3.552
    3   3H    ASP   1          3HT       ASP   1  -7.107  -5.215  -4.997
    4    HA   ASP   1           HA       ASP   1  -7.315  -2.525  -4.617
    5   1HB   ASP   1          2HB       ASP   1  -7.452  -4.151  -7.169
    6   2HB   ASP   1          1HB       ASP   1  -6.985  -2.457  -7.067
    7    H    THR   2           H        THR   2  -9.843  -3.455  -3.778
    8    HA   THR   2           HA       THR   2 -11.562  -1.922  -5.601
    9    HB   THR   2           HB       THR   2 -12.332  -4.561  -4.338
   10    HG1  THR   2           1HG      THR   2 -11.086  -4.878  -6.191
   11   1HG2  THR   2          1HG2      THR   2 -14.322  -3.372  -4.336
   12   2HG2  THR   2          2HG2      THR   2 -14.365  -4.148  -5.919
   13   3HG2  THR   2          3HG2      THR   2 -13.894  -2.455  -5.780
   14    H    HIS   3           H        HIS   3 -11.410  -3.501  -2.419
   15    HA   HIS   3           HA       HIS   3 -13.287  -1.638  -1.272
   16   1HB   HIS   3          2HB       HIS   3 -12.792  -2.869   0.851
   17   2HB   HIS   3          1HB       HIS   3 -13.345  -3.902  -0.462
   18    HD1  HIS   3           1HD      HIS   3 -11.084  -4.882  -1.901
   19    HD2  HIS   3           2HD      HIS   3 -10.718  -4.002   2.143
   20    HE1  HIS   3           1HE      HIS   3  -9.076  -6.174  -1.110
   21    HE2  HIS   3           2HE      HIS   3  -8.830  -5.566   1.322
   22    H    PHE   4           H        PHE   4 -11.461  -0.012  -2.213
   23    HA   PHE   4           HA       PHE   4  -9.141   0.528  -0.830
   24   1HB   PHE   4          2HB       PHE   4 -11.074   2.503  -2.062
   25   2HB   PHE   4          1HB       PHE   4  -9.439   2.900  -1.546
   26    HD1  PHE   4           1HD      PHE   4  -7.546   2.286  -2.852
   27    HD2  PHE   4           2HD      PHE   4 -11.450   1.041  -4.003
   28    HE1  PHE   4           1HE      PHE   4  -6.685   1.639  -5.063
   29    HE2  PHE   4           2HE      PHE   4 -10.593   0.384  -6.213
   30    HZ   PHE   4           HZ       PHE   4  -8.208   0.684  -6.746
   31    HA   PRO   5           HA       PRO   5 -11.040   1.726   3.087
   32   1HB   PRO   5          2HB       PRO   5  -9.037   0.971   4.670
   33   2HB   PRO   5          1HB       PRO   5 -10.058  -0.232   3.873
   34   1HG   PRO   5          2HG       PRO   5  -7.302   0.675   3.178
   35   2HG   PRO   5          1HG       PRO   5  -8.007  -0.948   3.086
   36   1HD   PRO   5          2HD       PRO   5  -7.721   0.845   0.955
   37   2HD   PRO   5          1HD       PRO   5  -8.752  -0.597   0.970
   38    H    ILE   6           H        ILE   6  -8.496   2.327   4.835
   39    HA   ILE   6           HA       ILE   6  -8.605   5.153   4.527
   40    HB   ILE   6           HB       ILE   6  -6.755   5.147   6.228
   41   1HG1  ILE   6          2HG1      ILE   6  -7.178   2.154   6.046
   42   2HG1  ILE   6          1HG1      ILE   6  -5.703   3.027   5.647
   43   1HG2  ILE   6          1HG2      ILE   6  -8.568   5.338   7.506
   44   2HG2  ILE   6          2HG2      ILE   6  -8.446   3.603   7.794
   45   3HG2  ILE   6          3HG2      ILE   6  -9.481   4.212   6.502
   46   1HD1  ILE   6          1HD1      ILE   6  -5.634   3.761   8.056
   47   2HD1  ILE   6          2HD1      ILE   6  -5.356   2.046   7.757
   48   3HD1  ILE   6          3HD1      ILE   6  -6.923   2.594   8.355
   49    H    CYS   7           H        CYS   7  -6.550   2.614   3.373
   50    HA   CYS   7           HA       CYS   7  -4.823   2.550   1.913
   51   1HB   CYS   7          2HB       CYS   7  -5.950   5.255   1.204
   52   2HB   CYS   7          1HB       CYS   7  -4.617   4.514   0.324
   53    H    ILE   8           H        ILE   8  -3.969   3.028   4.409
   54    HA   ILE   8           HA       ILE   8  -2.520   5.323   4.956
   55    HB   ILE   8           HB       ILE   8  -0.977   3.876   6.294
   56   1HG1  ILE   8          2HG1      ILE   8  -2.726   1.641   5.240
   57   2HG1  ILE   8          1HG1      ILE   8  -1.039   1.903   4.810
   58   1HG2  ILE   8          1HG2      ILE   8  -3.453   4.670   6.859
   59   2HG2  ILE   8          2HG2      ILE   8  -2.486   3.710   7.978
   60   3HG2  ILE   8          3HG2      ILE   8  -3.699   2.927   6.965
   61   1HD1  ILE   8          1HD1      ILE   8  -1.138   0.167   6.431
   62   2HD1  ILE   8          2HD1      ILE   8  -2.141   1.145   7.502
   63   3HD1  ILE   8          3HD1      ILE   8  -0.459   1.594   7.213
   64    H    PHE   9           H        PHE   9  -0.709   6.234   4.186
   65    HA   PHE   9           HA       PHE   9   0.420   5.377   1.766
   66   1HB   PHE   9          2HB       PHE   9   0.449   7.725   2.528
   67   2HB   PHE   9          1HB       PHE   9   1.608   7.294   3.781
   68    HD1  PHE   9           1HD      PHE   9   3.587   8.349   3.250
   69    HD2  PHE   9           2HD      PHE   9   1.442   6.316   0.178
   70    HE1  PHE   9           1HE      PHE   9   5.439   8.763   1.685
   71    HE2  PHE   9           2HE      PHE   9   3.296   6.727  -1.387
   72    HZ   PHE   9           HZ       PHE   9   5.296   7.951  -0.635
   73    H    CYS  10           H        CYS  10   2.384   4.488   1.247
   74    HA   CYS  10           HA       CYS  10   4.182   3.511   3.290
   75   1HB   CYS  10          2HB       CYS  10   3.983   1.146   2.552
   76   2HB   CYS  10          1HB       CYS  10   2.507   1.744   3.302
   77    H    CYS  11           H        CYS  11   6.246   3.229   2.472
   78    HA   CYS  11           HA       CYS  11   6.541   3.290  -0.452
   79   1HB   CYS  11          2HB       CYS  11   6.803   5.584   0.409
   80   2HB   CYS  11          1HB       CYS  11   8.080   5.031   1.483
   81    H    GLY  12           H        GLY  12   7.666   1.605  -1.072
   82   1HA   GLY  12          2HA       GLY  12   9.534   0.311   0.771
   83   2HA   GLY  12          1HA       GLY  12   8.921  -0.365  -0.735
   84    H    CYS  13           H        CYS  13  11.274   1.682   0.743
   85    HA   CYS  13           HA       CYS  13  12.481   2.763  -1.590
   86   1HB   CYS  13          2HB       CYS  13  14.229   3.515  -0.134
   87   2HB   CYS  13          1HB       CYS  13  12.723   3.658   0.764
   88    H    CYS  14           H        CYS  14  13.409   0.236   0.622
   89    HA   CYS  14           HA       CYS  14  15.413  -0.677  -1.298
   90   1HB   CYS  14          2HB       CYS  14  15.513  -0.983   1.684
   91   2HB   CYS  14          1HB       CYS  14  16.849  -0.906   0.530
   92    H    HIS  15           H        HIS  15  13.332  -1.883   1.369
   93    HA   HIS  15           HA       HIS  15  13.764  -4.612   0.878
   94   1HB   HIS  15          2HB       HIS  15  11.266  -3.259   1.941
   95   2HB   HIS  15          1HB       HIS  15  11.610  -4.980   2.052
   96    HD1  HIS  15           1HD      HIS  15  11.159  -3.973   4.684
   97    HD2  HIS  15           2HD      HIS  15  14.860  -3.404   2.880
   98    HE1  HIS  15           1HE      HIS  15  12.765  -3.536   6.567
   99    HE2  HIS  15           2HE      HIS  15  14.978  -3.096   5.445
  100    H    ARG  16           H        ARG  16  10.596  -3.189   0.261
  101    HA   ARG  16           HA       ARG  16  10.415  -4.697  -2.237
  102   1HB   ARG  16          2HB       ARG  16   8.416  -3.241  -0.522
  103   2HB   ARG  16          1HB       ARG  16   8.031  -3.663  -2.184
  104   1HG   ARG  16          2HG       ARG  16   7.141  -5.328  -0.740
  105   2HG   ARG  16          1HG       ARG  16   8.487  -6.025  -1.641
  106   1HD   ARG  16          2HD       ARG  16   8.561  -6.715   0.694
  107   2HD   ARG  16          1HD       ARG  16   9.949  -5.702   0.295
  108    HE   ARG  16           HE       ARG  16   7.951  -4.045   1.310
  109   1HH1  ARG  16          1HH1      ARG  16   9.996  -6.651   2.391
  110   2HH1  ARG  16          2HH1      ARG  16  10.044  -6.104   4.035
  111   1HH2  ARG  16          1HH2      ARG  16   8.008  -3.316   3.472
  112   2HH2  ARG  16          2HH2      ARG  16   8.915  -4.208   4.648
  113    H    SER  17           H        SER  17  10.736  -3.705  -4.176
  114    HA   SER  17           HA       SER  17  11.360  -0.893  -4.205
  115   1HB   SER  17          2HB       SER  17  11.765  -1.244  -6.628
  116   2HB   SER  17          1HB       SER  17  12.623  -2.423  -5.636
  117    HG   SER  17           HG       SER  17  10.246  -3.435  -6.177
  118    H    LYS  18           H        LYS  18   8.919  -0.829  -3.276
  119    HA   LYS  18           HA       LYS  18   7.379   0.290  -5.493
  120   1HB   LYS  18          2HB       LYS  18   5.316  -0.919  -4.766
  121   2HB   LYS  18          1HB       LYS  18   6.545  -1.951  -5.486
  122   1HG   LYS  18          2HG       LYS  18   7.252  -2.662  -3.254
  123   2HG   LYS  18          1HG       LYS  18   6.011  -1.634  -2.538
  124   1HD   LYS  18          2HD       LYS  18   5.462  -3.899  -4.455
  125   2HD   LYS  18          1HD       LYS  18   5.360  -4.028  -2.698
  126   1HE   LYS  18          2HE       LYS  18   3.739  -2.157  -4.425
  127   2HE   LYS  18          1HE       LYS  18   3.160  -3.666  -3.719
  128   1HZ   LYS  18          1HZ       LYS  18   3.681  -2.698  -1.509
  129   2HZ   LYS  18          2HZ       LYS  18   2.456  -1.879  -2.339
  130   3HZ   LYS  18          3HZ       LYS  18   4.014  -1.223  -2.268
  131    H    CYS  19           H        CYS  19   6.533   2.185  -4.927
  132    HA   CYS  19           HA       CYS  19   5.884   2.633  -2.092
  133   1HB   CYS  19          2HB       CYS  19   7.268   4.535  -3.987
  134   2HB   CYS  19          1HB       CYS  19   6.582   5.028  -2.441
  135    H    GLY  20           H        GLY  20   3.880   3.248  -1.725
  136   1HA   GLY  20          2HA       GLY  20   2.411   5.134  -3.155
  137   2HA   GLY  20          1HA       GLY  20   1.971   3.553  -3.786
  138    H    MET  21           H        MET  21  -0.164   3.781  -3.009
  139    HA   MET  21           HA       MET  21  -0.538   3.998  -0.127
  140   1HB   MET  21          2HB       MET  21  -2.577   3.781  -2.349
  141   2HB   MET  21          1HB       MET  21  -2.937   4.085  -0.655
  142   1HG   MET  21          2HG       MET  21  -1.697   6.190  -0.777
  143   2HG   MET  21          1HG       MET  21  -1.360   5.885  -2.480
  144   1HE   MET  21          1HE       MET  21  -3.354   5.853  -4.398
  145   2HE   MET  21          2HE       MET  21  -5.052   5.863  -3.921
  146   3HE   MET  21          3HE       MET  21  -4.001   4.541  -3.411
  147    H    CYS  22           H        CYS  22  -0.680   2.276   1.141
  148    HA   CYS  22           HA       CYS  22  -0.960  -0.368  -0.028
  149   1HB   CYS  22          2HB       CYS  22  -0.236   0.637   2.711
  150   2HB   CYS  22          1HB       CYS  22  -0.649  -1.054   2.452
  151    H    CYS  23           H        CYS  23  -3.267   0.740  -0.535
  152    HA   CYS  23           HA       CYS  23  -5.264   0.862   1.379
  153   1HB   CYS  23          2HB       CYS  23  -5.547  -0.120  -1.470
  154   2HB   CYS  23          1HB       CYS  23  -6.850   0.476  -0.450
  155    H    LYS  24           H        LYS  24  -4.823  -1.901  -0.839
  156    HA   LYS  24           HA       LYS  24  -6.371  -3.629   0.821
  157   1HB   LYS  24          2HB       LYS  24  -5.662  -5.400  -0.789
  158   2HB   LYS  24          1HB       LYS  24  -6.404  -4.001  -1.548
  159   1HG   LYS  24          2HG       LYS  24  -4.618  -4.467  -2.937
  160   2HG   LYS  24          1HG       LYS  24  -3.984  -3.186  -1.904
  161   1HD   LYS  24          2HD       LYS  24  -2.906  -4.895  -0.491
  162   2HD   LYS  24          1HD       LYS  24  -3.504  -6.149  -1.580
  163   1HE   LYS  24          2HE       LYS  24  -1.178  -5.592  -2.064
  164   2HE   LYS  24          1HE       LYS  24  -2.229  -5.172  -3.416
  165   1HZ   LYS  24          1HZ       LYS  24  -1.363  -3.149  -3.317
  166   2HZ   LYS  24          2HZ       LYS  24  -0.530  -3.495  -1.886
  167   3HZ   LYS  24          3HZ       LYS  24  -2.122  -2.927  -1.821
  168    H    THR  25           H        THR  25  -5.715  -5.361   2.089
  169    HA   THR  25           HA       THR  25  -3.374  -5.005   3.592
  170    HB   THR  25           HB       THR  25  -3.844  -7.224   4.566
  171    HG1  THR  25           1HG      THR  25  -6.160  -7.469   3.009
  172   1HG2  THR  25          1HG2      THR  25  -6.025  -5.204   4.246
  173   2HG2  THR  25          2HG2      THR  25  -5.060  -5.595   5.669
  174   3HG2  THR  25          3HG2      THR  25  -6.338  -6.690   5.141
  Start of MODEL   14
    1   1H    ASP   1          1HT       ASP   1 -10.926  -9.467  -0.877
    2   2H    ASP   1          2HT       ASP   1 -11.981  -8.485  -1.763
    3   3H    ASP   1          3HT       ASP   1 -12.187  -8.654  -0.093
    4    HA   ASP   1           HA       ASP   1  -9.987  -7.621   0.244
    5   1HB   ASP   1          2HB       ASP   1  -9.024  -6.414  -1.687
    6   2HB   ASP   1          1HB       ASP   1  -9.073  -8.153  -1.954
    7    H    THR   2           H        THR   2 -10.021  -5.481   0.895
    8    HA   THR   2           HA       THR   2 -12.524  -4.252   1.159
    9    HB   THR   2           HB       THR   2 -11.228  -2.266   1.966
   10    HG1  THR   2           1HG      THR   2  -9.375  -2.745   0.555
   11   1HG2  THR   2          1HG2      THR   2  -9.866  -3.907   3.674
   12   2HG2  THR   2          2HG2      THR   2 -11.098  -4.995   3.035
   13   3HG2  THR   2          3HG2      THR   2 -11.572  -3.491   3.824
   14    H    HIS   3           H        HIS   3 -13.666  -3.124  -0.237
   15    HA   HIS   3           HA       HIS   3 -12.595  -2.333  -2.773
   16   1HB   HIS   3          2HB       HIS   3 -15.301  -1.812  -1.531
   17   2HB   HIS   3          1HB       HIS   3 -14.877  -1.498  -3.210
   18    HD1  HIS   3           1HD      HIS   3 -13.800  -3.888  -4.359
   19    HD2  HIS   3           2HD      HIS   3 -16.617  -4.151  -1.315
   20    HE1  HIS   3           1HE      HIS   3 -14.785  -6.194  -4.553
   21    HE2  HIS   3           2HE      HIS   3 -16.490  -6.331  -2.702
   22    H    PHE   4           H        PHE   4 -13.131  -0.787   0.276
   23    HA   PHE   4           HA       PHE   4 -12.039   1.691  -0.823
   24   1HB   PHE   4          2HB       PHE   4 -14.495   1.950  -0.868
   25   2HB   PHE   4          1HB       PHE   4 -14.553   1.617   0.858
   26    HD1  PHE   4           1HD      PHE   4 -12.242   3.774  -1.117
   27    HD2  PHE   4           2HD      PHE   4 -15.259   3.559   1.878
   28    HE1  PHE   4           1HE      PHE   4 -11.936   6.169  -0.643
   29    HE2  PHE   4           2HE      PHE   4 -14.959   5.953   2.356
   30    HZ   PHE   4           HZ       PHE   4 -13.296   7.261   1.095
   31    HA   PRO   5           HA       PRO   5 -10.386   0.408   3.396
   32   1HB   PRO   5          2HB       PRO   5  -7.804   0.043   2.656
   33   2HB   PRO   5          1HB       PRO   5  -9.008  -1.247   2.585
   34   1HG   PRO   5          2HG       PRO   5  -7.960   0.491   0.388
   35   2HG   PRO   5          1HG       PRO   5  -8.306  -1.248   0.374
   36   1HD   PRO   5          2HD       PRO   5  -9.986   0.612  -0.677
   37   2HD   PRO   5          1HD       PRO   5 -10.546  -0.926   0.006
   38    H    ILE   6           H        ILE   6  -7.548   1.291   3.497
   39    HA   ILE   6           HA       ILE   6  -8.054   4.181   3.607
   40    HB   ILE   6           HB       ILE   6  -6.030   4.230   5.095
   41   1HG1  ILE   6          2HG1      ILE   6  -6.379   1.226   4.962
   42   2HG1  ILE   6          1HG1      ILE   6  -4.989   2.141   4.389
   43   1HG2  ILE   6          1HG2      ILE   6  -7.681   4.359   6.577
   44   2HG2  ILE   6          2HG2      ILE   6  -7.508   2.620   6.815
   45   3HG2  ILE   6          3HG2      ILE   6  -8.683   3.240   5.654
   46   1HD1  ILE   6          1HD1      ILE   6  -5.772   1.397   7.145
   47   2HD1  ILE   6          2HD1      ILE   6  -4.945   2.938   6.912
   48   3HD1  ILE   6          3HD1      ILE   6  -4.180   1.438   6.386
   49    H    CYS   7           H        CYS   7  -5.796   1.751   2.449
   50    HA   CYS   7           HA       CYS   7  -4.120   1.792   0.922
   51   1HB   CYS   7          2HB       CYS   7  -6.076   2.608  -0.456
   52   2HB   CYS   7          1HB       CYS   7  -5.482   4.246  -0.192
   53    H    ILE   8           H        ILE   8  -3.272   2.803   3.223
   54    HA   ILE   8           HA       ILE   8  -2.324   5.401   3.364
   55    HB   ILE   8           HB       ILE   8  -0.636   4.607   4.921
   56   1HG1  ILE   8          2HG1      ILE   8  -1.416   1.833   3.978
   57   2HG1  ILE   8          1HG1      ILE   8   0.124   2.632   3.686
   58   1HG2  ILE   8          1HG2      ILE   8  -2.603   2.802   5.905
   59   2HG2  ILE   8          2HG2      ILE   8  -3.413   4.154   5.113
   60   3HG2  ILE   8          3HG2      ILE   8  -2.262   4.456   6.415
   61   1HD1  ILE   8          1HD1      ILE   8   0.528   2.657   6.123
   62   2HD1  ILE   8          2HD1      ILE   8   0.380   1.033   5.450
   63   3HD1  ILE   8          3HD1      ILE   8  -0.964   1.743   6.344
   64    H    PHE   9           H        PHE   9  -0.360   6.388   2.881
   65    HA   PHE   9           HA       PHE   9   0.793   5.613   0.388
   66   1HB   PHE   9          2HB       PHE   9   0.566   7.984   1.059
   67   2HB   PHE   9          1HB       PHE   9   1.716   7.717   2.364
   68    HD1  PHE   9           1HD      PHE   9   1.760   6.664  -1.218
   69    HD2  PHE   9           2HD      PHE   9   3.614   8.917   1.883
   70    HE1  PHE   9           1HE      PHE   9   3.614   7.223  -2.736
   71    HE2  PHE   9           2HE      PHE   9   5.470   9.479   0.369
   72    HZ   PHE   9           HZ       PHE   9   5.472   8.632  -1.943
   73    H    CYS  10           H        CYS  10   1.532   3.513   0.865
   74    HA   CYS  10           HA       CYS  10   3.456   2.946   2.866
   75   1HB   CYS  10          2HB       CYS  10   2.497   1.506   0.416
   76   2HB   CYS  10          1HB       CYS  10   3.887   0.899   1.307
   77    H    CYS  11           H        CYS  11   5.680   2.822   2.782
   78    HA   CYS  11           HA       CYS  11   6.972   3.634   0.275
   79   1HB   CYS  11          2HB       CYS  11   6.678   5.609   1.800
   80   2HB   CYS  11          1HB       CYS  11   7.706   4.790   2.969
   81    H    GLY  12           H        GLY  12   8.339   2.085  -0.266
   82   1HA   GLY  12          2HA       GLY  12   9.463   0.328   1.766
   83   2HA   GLY  12          1HA       GLY  12   9.567   0.109   0.023
   84    H    CYS  13           H        CYS  13  11.011   1.430   2.828
   85    HA   CYS  13           HA       CYS  13  12.905   3.190   1.728
   86   1HB   CYS  13          2HB       CYS  13  12.777   3.483   4.001
   87   2HB   CYS  13          1HB       CYS  13  12.568   1.765   4.319
   88    H    CYS  14           H        CYS  14  13.719   0.303   3.405
   89    HA   CYS  14           HA       CYS  14  16.086  -0.024   1.765
   90   1HB   CYS  14          2HB       CYS  14  16.027  -1.578   4.169
   91   2HB   CYS  14          1HB       CYS  14  17.049  -0.199   3.763
   92    H    HIS  15           H        HIS  15  13.503  -2.042   3.231
   93    HA   HIS  15           HA       HIS  15  14.331  -4.485   2.144
   94   1HB   HIS  15          2HB       HIS  15  11.495  -3.537   2.650
   95   2HB   HIS  15          1HB       HIS  15  11.986  -5.212   2.418
   96    HD1  HIS  15           1HD      HIS  15  14.058  -5.836   4.296
   97    HD2  HIS  15           2HD      HIS  15  11.171  -3.008   5.268
   98    HE1  HIS  15           1HE      HIS  15  14.080  -5.688   6.806
   99    HE2  HIS  15           2HE      HIS  15  12.299  -3.999   7.375
  100    H    ARG  16           H        ARG  16  11.378  -2.968   0.956
  101    HA   ARG  16           HA       ARG  16  12.134  -3.652  -1.785
  102   1HB   ARG  16          2HB       ARG  16   9.562  -2.802  -0.472
  103   2HB   ARG  16          1HB       ARG  16   9.751  -2.702  -2.215
  104   1HG   ARG  16          2HG       ARG  16   8.636  -4.734  -1.652
  105   2HG   ARG  16          1HG       ARG  16  10.243  -5.109  -2.269
  106   1HD   ARG  16          2HD       ARG  16  11.060  -5.418   0.004
  107   2HD   ARG  16          1HD       ARG  16   9.474  -4.990   0.646
  108    HE   ARG  16           HE       ARG  16   9.148  -7.135  -1.112
  109   1HH1  ARG  16          1HH1      ARG  16  10.649  -6.451   1.958
  110   2HH1  ARG  16          2HH1      ARG  16  10.461  -8.065   2.555
  111   1HH2  ARG  16          1HH2      ARG  16   8.893  -9.261  -0.332
  112   2HH2  ARG  16          2HH2      ARG  16   9.461  -9.663   1.254
  113    H    SER  17           H        SER  17  13.113  -2.126  -3.015
  114    HA   SER  17           HA       SER  17  13.250   0.596  -2.094
  115   1HB   SER  17          2HB       SER  17  14.223  -0.641  -4.686
  116   2HB   SER  17          1HB       SER  17  14.622   0.980  -4.115
  117    HG   SER  17           HG       SER  17  15.168  -0.764  -2.176
  118    H    LYS  18           H        LYS  18  10.667   0.292  -2.268
  119    HA   LYS  18           HA       LYS  18   9.934   1.942  -4.559
  120   1HB   LYS  18          2HB       LYS  18   8.017   0.507  -5.155
  121   2HB   LYS  18          1HB       LYS  18   9.561  -0.291  -5.419
  122   1HG   LYS  18          2HG       LYS  18   9.278  -1.509  -3.307
  123   2HG   LYS  18          1HG       LYS  18   7.709  -0.733  -3.085
  124   1HD   LYS  18          2HD       LYS  18   6.942  -1.741  -5.201
  125   2HD   LYS  18          1HD       LYS  18   8.498  -2.558  -5.355
  126   1HE   LYS  18          2HE       LYS  18   6.825  -4.066  -4.442
  127   2HE   LYS  18          1HE       LYS  18   8.085  -3.738  -3.253
  128   1HZ   LYS  18          1HZ       LYS  18   5.345  -3.401  -2.957
  129   2HZ   LYS  18          2HZ       LYS  18   6.014  -1.848  -2.976
  130   3HZ   LYS  18          3HZ       LYS  18   6.561  -2.990  -1.855
  131    H    CYS  19           H        CYS  19   8.536   3.491  -4.004
  132    HA   CYS  19           HA       CYS  19   6.917   3.091  -1.577
  133   1HB   CYS  19          2HB       CYS  19   8.383   5.597  -2.421
  134   2HB   CYS  19          1HB       CYS  19   7.220   5.524  -1.101
  135    H    GLY  20           H        GLY  20   4.799   3.435  -1.813
  136   1HA   GLY  20          2HA       GLY  20   3.698   5.425  -3.516
  137   2HA   GLY  20          1HA       GLY  20   3.567   3.840  -4.259
  138    H    MET  21           H        MET  21   1.317   3.859  -4.180
  139    HA   MET  21           HA       MET  21   0.040   4.025  -1.563
  140   1HB   MET  21          2HB       MET  21  -1.136   3.787  -4.336
  141   2HB   MET  21          1HB       MET  21  -2.074   3.941  -2.857
  142   1HG   MET  21          2HG       MET  21  -1.080   6.126  -2.443
  143   2HG   MET  21          1HG       MET  21  -0.121   5.972  -3.913
  144   1HE   MET  21          1HE       MET  21  -2.804   6.094  -6.718
  145   2HE   MET  21          2HE       MET  21  -2.297   4.602  -5.925
  146   3HE   MET  21          3HE       MET  21  -1.108   5.849  -6.301
  147    H    CYS  22           H        CYS  22  -0.736   2.339  -0.467
  148    HA   CYS  22           HA       CYS  22  -0.661  -0.304  -1.771
  149   1HB   CYS  22          2HB       CYS  22  -0.325  -1.192   0.581
  150   2HB   CYS  22          1HB       CYS  22   1.030  -0.294  -0.098
  151    H    CYS  23           H        CYS  23  -2.891   0.456  -2.411
  152    HA   CYS  23           HA       CYS  23  -4.960   0.747  -0.543
  153   1HB   CYS  23          2HB       CYS  23  -5.035  -0.172  -3.422
  154   2HB   CYS  23          1HB       CYS  23  -6.464   0.218  -2.473
  155    H    LYS  24           H        LYS  24  -6.107  -1.659  -2.529
  156    HA   LYS  24           HA       LYS  24  -6.736  -3.399  -0.445
  157   1HB   LYS  24          2HB       LYS  24  -7.222  -5.045  -2.349
  158   2HB   LYS  24          1HB       LYS  24  -8.117  -3.534  -2.324
  159   1HG   LYS  24          2HG       LYS  24  -7.500  -3.932  -4.565
  160   2HG   LYS  24          1HG       LYS  24  -6.461  -2.634  -3.978
  161   1HD   LYS  24          2HD       LYS  24  -4.661  -4.263  -3.603
  162   2HD   LYS  24          1HD       LYS  24  -5.702  -5.546  -4.222
  163   1HE   LYS  24          2HE       LYS  24  -4.778  -3.120  -5.758
  164   2HE   LYS  24          1HE       LYS  24  -4.134  -4.753  -5.925
  165   1HZ   LYS  24          1HZ       LYS  24  -6.911  -3.893  -6.535
  166   2HZ   LYS  24          2HZ       LYS  24  -6.348  -5.485  -6.632
  167   3HZ   LYS  24          3HZ       LYS  24  -5.720  -4.302  -7.665
  168    H    THR  25           H        THR  25  -6.025  -5.511   0.050
  169    HA   THR  25           HA       THR  25  -3.726  -6.709  -1.075
  170    HB   THR  25           HB       THR  25  -2.507  -4.885  -0.022
  171    HG1  THR  25           1HG      THR  25  -2.267  -7.424   1.237
  172   1HG2  THR  25          1HG2      THR  25  -2.544  -5.025   2.616
  173   2HG2  THR  25          2HG2      THR  25  -4.173  -5.635   2.332
  174   3HG2  THR  25          3HG2      THR  25  -3.713  -4.039   1.738
  Start of MODEL   15
    1   1H    ASP   1          1HT       ASP   1 -11.938  -4.041   4.049
    2   2H    ASP   1          2HT       ASP   1 -12.131  -3.336   2.524
    3   3H    ASP   1          3HT       ASP   1 -11.248  -2.532   3.720
    4    HA   ASP   1           HA       ASP   1  -9.398  -3.733   3.412
    5   1HB   ASP   1          2HB       ASP   1  -9.457  -6.130   2.795
    6   2HB   ASP   1          1HB       ASP   1 -10.463  -5.786   4.198
    7    H    THR   2           H        THR   2  -9.482  -5.788   1.072
    8    HA   THR   2           HA       THR   2  -8.455  -4.212  -0.933
    9    HB   THR   2           HB       THR   2  -9.979  -6.796  -1.294
   10    HG1  THR   2           1HG      THR   2  -8.311  -7.638  -0.308
   11   1HG2  THR   2          1HG2      THR   2  -7.733  -5.811  -3.028
   12   2HG2  THR   2          2HG2      THR   2  -9.402  -5.335  -3.347
   13   3HG2  THR   2          3HG2      THR   2  -8.949  -7.040  -3.378
   14    H    HIS   3           H        HIS   3 -11.812  -5.252  -0.498
   15    HA   HIS   3           HA       HIS   3 -12.943  -4.397  -2.850
   16   1HB   HIS   3          2HB       HIS   3 -14.127  -4.253  -0.073
   17   2HB   HIS   3          1HB       HIS   3 -15.050  -4.107  -1.565
   18    HD1  HIS   3           1HD      HIS   3 -12.538  -6.659  -0.242
   19    HD2  HIS   3           2HD      HIS   3 -16.243  -6.456  -2.113
   20    HE1  HIS   3           1HE      HIS   3 -13.265  -9.046  -0.555
   21    HE2  HIS   3           2HE      HIS   3 -15.543  -8.896  -1.621
   22    H    PHE   4           H        PHE   4 -12.568  -2.438   0.112
   23    HA   PHE   4           HA       PHE   4 -12.423  -0.043  -1.547
   24   1HB   PHE   4          2HB       PHE   4 -14.816  -0.293  -0.976
   25   2HB   PHE   4          1HB       PHE   4 -14.397  -0.303   0.733
   26    HD1  PHE   4           1HD      PHE   4 -15.223   1.622   1.678
   27    HD2  PHE   4           2HD      PHE   4 -13.247   1.856  -2.085
   28    HE1  PHE   4           1HE      PHE   4 -15.409   4.074   1.738
   29    HE2  PHE   4           2HE      PHE   4 -13.428   4.310  -2.031
   30    HZ   PHE   4           HZ       PHE   4 -14.510   5.421  -0.119
   31    HA   PRO   5           HA       PRO   5  -9.557  -0.005   2.100
   32   1HB   PRO   5          2HB       PRO   5  -7.228   0.118   0.782
   33   2HB   PRO   5          1HB       PRO   5  -8.074  -1.417   1.021
   34   1HG   PRO   5          2HG       PRO   5  -7.966   0.333  -1.402
   35   2HG   PRO   5          1HG       PRO   5  -7.883  -1.434  -1.292
   36   1HD   PRO   5          2HD       PRO   5 -10.157  -0.018  -1.938
   37   2HD   PRO   5          1HD       PRO   5 -10.155  -1.652  -1.246
   38    H    ILE   6           H        ILE   6  -7.183   1.523   1.572
   39    HA   ILE   6           HA       ILE   6  -8.219   4.166   0.836
   40    HB   ILE   6           HB       ILE   6  -6.988   5.151   2.778
   41   1HG1  ILE   6          2HG1      ILE   6  -6.880   2.261   3.681
   42   2HG1  ILE   6          1HG1      ILE   6  -5.497   3.264   3.255
   43   1HG2  ILE   6          1HG2      ILE   6  -8.873   3.563   4.248
   44   2HG2  ILE   6          2HG2      ILE   6  -9.524   3.965   2.660
   45   3HG2  ILE   6          3HG2      ILE   6  -8.985   5.248   3.742
   46   1HD1  ILE   6          1HD1      ILE   6  -6.731   2.942   5.773
   47   2HD1  ILE   6          2HD1      ILE   6  -6.986   4.610   5.262
   48   3HD1  ILE   6          3HD1      ILE   6  -5.352   3.954   5.346
   49    H    CYS   7           H        CYS   7  -5.443   2.120   1.532
   50    HA   CYS   7           HA       CYS   7  -3.316   2.073   0.761
   51   1HB   CYS   7          2HB       CYS   7  -4.672   1.944  -1.399
   52   2HB   CYS   7          1HB       CYS   7  -4.288   3.649  -1.617
   53    H    ILE   8           H        ILE   8  -3.505   3.900   2.634
   54    HA   ILE   8           HA       ILE   8  -2.946   6.566   2.041
   55    HB   ILE   8           HB       ILE   8  -1.957   6.712   4.289
   56   1HG1  ILE   8          2HG1      ILE   8  -2.309   3.702   4.302
   57   2HG1  ILE   8          1HG1      ILE   8  -0.777   4.566   4.315
   58   1HG2  ILE   8          1HG2      ILE   8  -4.583   5.470   3.745
   59   2HG2  ILE   8          2HG2      ILE   8  -4.188   6.993   4.542
   60   3HG2  ILE   8          3HG2      ILE   8  -4.040   5.473   5.423
   61   1HD1  ILE   8          1HD1      ILE   8  -1.554   5.596   6.502
   62   2HD1  ILE   8          2HD1      ILE   8  -1.128   3.885   6.523
   63   3HD1  ILE   8          3HD1      ILE   8  -2.822   4.373   6.496
   64    H    PHE   9           H        PHE   9  -1.038   7.758   1.980
   65    HA   PHE   9           HA       PHE   9   1.023   6.785   0.410
   66   1HB   PHE   9          2HB       PHE   9   0.542   9.192   0.793
   67   2HB   PHE   9          1HB       PHE   9   1.199   9.045   2.420
   68    HD1  PHE   9           1HD      PHE   9   2.314   8.014  -1.002
   69    HD2  PHE   9           2HD      PHE   9   3.257  10.007   2.642
   70    HE1  PHE   9           1HE      PHE   9   4.562   8.522  -1.862
   71    HE2  PHE   9           2HE      PHE   9   5.507  10.515   1.786
   72    HZ   PHE   9           HZ       PHE   9   6.163   9.772  -0.469
   73    H    CYS  10           H        CYS  10   2.770   5.589   0.774
   74    HA   CYS  10           HA       CYS  10   4.136   5.489   3.277
   75   1HB   CYS  10          2HB       CYS  10   2.697   3.983   4.181
   76   2HB   CYS  10          1HB       CYS  10   2.097   3.459   2.614
   77    H    CYS  11           H        CYS  11   6.204   4.913   2.975
   78    HA   CYS  11           HA       CYS  11   7.048   4.212   0.299
   79   1HB   CYS  11          2HB       CYS  11   8.288   5.919   1.511
   80   2HB   CYS  11          1HB       CYS  11   8.636   4.780   2.809
   81    H    GLY  12           H        GLY  12   7.692   2.260  -0.399
   82   1HA   GLY  12          2HA       GLY  12   7.356  -0.040   1.275
   83   2HA   GLY  12          1HA       GLY  12   7.962  -0.035  -0.379
   84    H    CYS  13           H        CYS  13   8.734  -0.230   2.908
   85    HA   CYS  13           HA       CYS  13  11.455   0.548   2.916
   86   1HB   CYS  13          2HB       CYS  13  11.554  -0.399   5.103
   87   2HB   CYS  13          1HB       CYS  13   9.946   0.291   4.934
   88    H    CYS  14           H        CYS  14   9.936  -2.606   2.965
   89    HA   CYS  14           HA       CYS  14  12.533  -3.794   2.334
   90   1HB   CYS  14          2HB       CYS  14  10.283  -5.083   3.839
   91   2HB   CYS  14          1HB       CYS  14  12.016  -5.417   3.930
   92    H    HIS  15           H        HIS  15   9.075  -4.792   2.143
   93    HA   HIS  15           HA       HIS  15   9.445  -6.757   0.211
   94   1HB   HIS  15          2HB       HIS  15   7.044  -4.942   0.578
   95   2HB   HIS  15          1HB       HIS  15   7.048  -6.432  -0.357
   96    HD1  HIS  15           1HD      HIS  15   5.024  -6.671   1.615
   97    HD2  HIS  15           2HD      HIS  15   8.991  -7.268   2.699
   98    HE1  HIS  15           1HE      HIS  15   4.945  -7.996   3.750
   99    HE2  HIS  15           2HE      HIS  15   7.353  -8.234   4.452
  100    H    ARG  16           H        ARG  16   7.892  -3.669  -0.551
  101    HA   ARG  16           HA       ARG  16   9.138  -3.693  -3.194
  102   1HB   ARG  16          2HB       ARG  16   6.863  -2.202  -1.930
  103   2HB   ARG  16          1HB       ARG  16   7.664  -1.509  -3.329
  104   1HG   ARG  16          2HG       ARG  16   5.685  -2.728  -3.981
  105   2HG   ARG  16          1HG       ARG  16   7.132  -3.492  -4.631
  106   1HD   ARG  16          2HD       ARG  16   5.871  -4.410  -2.064
  107   2HD   ARG  16          1HD       ARG  16   5.325  -5.007  -3.630
  108    HE   ARG  16           HE       ARG  16   8.119  -5.290  -3.436
  109   1HH1  ARG  16          1HH1      ARG  16   5.173  -6.628  -2.145
  110   2HH1  ARG  16          2HH1      ARG  16   5.861  -8.188  -1.842
  111   1HH2  ARG  16          1HH2      ARG  16   9.035  -7.342  -3.039
  112   2HH2  ARG  16          2HH2      ARG  16   8.057  -8.592  -2.347
  113    H    SER  17           H        SER  17  11.196  -2.880  -3.129
  114    HA   SER  17           HA       SER  17  12.001  -0.963  -1.165
  115   1HB   SER  17          2HB       SER  17  13.579  -2.623  -2.031
  116   2HB   SER  17          1HB       SER  17  13.440  -1.932  -3.647
  117    HG   SER  17           HG       SER  17  15.170  -0.911  -2.894
  118    H    LYS  18           H        LYS  18   9.937   0.290  -2.230
  119    HA   LYS  18           HA       LYS  18  11.177   2.580  -3.507
  120   1HB   LYS  18          2HB       LYS  18   9.362   2.701  -5.261
  121   2HB   LYS  18          1HB       LYS  18  10.584   1.463  -5.502
  122   1HG   LYS  18          2HG       LYS  18   8.006   0.802  -4.139
  123   2HG   LYS  18          1HG       LYS  18   8.102   0.888  -5.899
  124   1HD   LYS  18          2HD       LYS  18   9.863  -0.836  -4.157
  125   2HD   LYS  18          1HD       LYS  18   8.431  -1.405  -5.017
  126   1HE   LYS  18          2HE       LYS  18  10.893  -0.206  -6.283
  127   2HE   LYS  18          1HE       LYS  18  10.486  -1.921  -6.245
  128   1HZ   LYS  18          1HZ       LYS  18   8.795  -1.644  -7.752
  129   2HZ   LYS  18          2HZ       LYS  18   9.908  -0.501  -8.315
  130   3HZ   LYS  18          3HZ       LYS  18   8.576  -0.004  -7.397
  131    H    CYS  19           H        CYS  19  10.301   4.472  -2.882
  132    HA   CYS  19           HA       CYS  19   8.254   4.429  -0.875
  133   1HB   CYS  19          2HB       CYS  19   9.706   6.705  -2.233
  134   2HB   CYS  19          1HB       CYS  19   8.516   6.935  -0.956
  135    H    GLY  20           H        GLY  20   6.117   4.829  -1.077
  136   1HA   GLY  20          2HA       GLY  20   4.979   6.383  -3.161
  137   2HA   GLY  20          1HA       GLY  20   4.825   4.674  -3.541
  138    H    MET  21           H        MET  21   2.701   4.288  -3.237
  139    HA   MET  21           HA       MET  21   1.548   5.044  -0.633
  140   1HB   MET  21          2HB       MET  21   0.144   4.541  -3.265
  141   2HB   MET  21          1HB       MET  21  -0.658   4.913  -1.747
  142   1HG   MET  21          2HG       MET  21   0.368   7.098  -1.698
  143   2HG   MET  21          1HG       MET  21   1.282   6.729  -3.159
  144   1HE   MET  21          1HE       MET  21  -3.020   7.674  -2.470
  145   2HE   MET  21          2HE       MET  21  -2.057   6.464  -1.621
  146   3HE   MET  21          3HE       MET  21  -2.997   6.006  -3.042
  147    H    CYS  22           H        CYS  22   1.244   3.387   0.727
  148    HA   CYS  22           HA       CYS  22   1.294   0.672  -0.326
  149   1HB   CYS  22          2HB       CYS  22   1.293   1.697   2.521
  150   2HB   CYS  22          1HB       CYS  22   1.389  -0.002   2.069
  151    H    CYS  23           H        CYS  23  -0.512  -0.317  -0.869
  152    HA   CYS  23           HA       CYS  23  -3.063   0.670   0.054
  153   1HB   CYS  23          2HB       CYS  23  -2.370  -1.571  -1.856
  154   2HB   CYS  23          1HB       CYS  23  -4.001  -0.997  -1.526
  155    H    LYS  24           H        LYS  24  -3.670  -2.474  -0.455
  156    HA   LYS  24           HA       LYS  24  -4.401  -3.048   2.159
  157   1HB   LYS  24          2HB       LYS  24  -4.284  -5.521   1.205
  158   2HB   LYS  24          1HB       LYS  24  -5.538  -4.393   0.713
  159   1HG   LYS  24          2HG       LYS  24  -4.702  -5.527  -1.221
  160   2HG   LYS  24          1HG       LYS  24  -4.199  -3.839  -1.294
  161   1HD   LYS  24          2HD       LYS  24  -1.987  -4.514  -0.401
  162   2HD   LYS  24          1HD       LYS  24  -2.509  -6.199  -0.470
  163   1HE   LYS  24          2HE       LYS  24  -2.860  -5.962  -2.895
  164   2HE   LYS  24          1HE       LYS  24  -2.278  -4.300  -2.802
  165   1HZ   LYS  24          1HZ       LYS  24  -0.409  -5.458  -3.436
  166   2HZ   LYS  24          2HZ       LYS  24  -0.770  -6.809  -2.486
  167   3HZ   LYS  24          3HZ       LYS  24  -0.204  -5.392  -1.758
  168    H    THR  25           H        THR  25  -1.366  -3.633   0.508
  169    HA   THR  25           HA       THR  25   0.085  -3.880   2.904
  170    HB   THR  25           HB       THR  25  -0.964  -6.084   3.082
  171    HG1  THR  25           1HG      THR  25   1.337  -5.709   3.626
  172   1HG2  THR  25          1HG2      THR  25  -1.469  -7.140   1.173
  173   2HG2  THR  25          2HG2      THR  25   0.222  -7.638   1.129
  174   3HG2  THR  25          3HG2      THR  25  -0.299  -6.200   0.251
  Start of MODEL   16
    1   1H    ASP   1          1HT       ASP   1  -9.062  -9.845   0.462
    2   2H    ASP   1          2HT       ASP   1  -7.931 -10.546   1.507
    3   3H    ASP   1          3HT       ASP   1  -7.461 -10.054  -0.041
    4    HA   ASP   1           HA       ASP   1  -7.332  -8.595   2.299
    5   1HB   ASP   1          2HB       ASP   1  -6.416  -6.875   0.753
    6   2HB   ASP   1          1HB       ASP   1  -5.759  -8.480   0.452
    7    H    THR   2           H        THR   2  -7.934  -6.020   0.633
    8    HA   THR   2           HA       THR   2 -10.816  -5.918   1.243
    9    HB   THR   2           HB       THR   2  -8.801  -3.714   1.731
   10    HG1  THR   2           1HG      THR   2  -8.730  -4.451   3.716
   11   1HG2  THR   2          1HG2      THR   2 -11.780  -3.839   2.218
   12   2HG2  THR   2          2HG2      THR   2 -10.936  -2.782   1.086
   13   3HG2  THR   2          3HG2      THR   2 -10.715  -2.570   2.822
   14    H    HIS   3           H        HIS   3 -12.100  -5.084  -0.286
   15    HA   HIS   3           HA       HIS   3 -11.085  -4.576  -2.881
   16   1HB   HIS   3          2HB       HIS   3 -13.427  -4.005  -3.446
   17   2HB   HIS   3          1HB       HIS   3 -13.299  -5.530  -2.578
   18    HD1  HIS   3           1HD      HIS   3 -13.887  -1.885  -1.621
   19    HD2  HIS   3           2HD      HIS   3 -15.175  -5.714  -0.652
   20    HE1  HIS   3           1HE      HIS   3 -15.656  -1.573   0.140
   21    HE2  HIS   3           2HE      HIS   3 -16.487  -3.898   0.641
   22    H    PHE   4           H        PHE   4 -11.920  -2.538  -0.183
   23    HA   PHE   4           HA       PHE   4 -10.837  -0.236  -1.615
   24   1HB   PHE   4          2HB       PHE   4 -13.294  -0.127  -1.906
   25   2HB   PHE   4          1HB       PHE   4 -13.491  -0.160  -0.159
   26    HD1  PHE   4           1HD      PHE   4 -14.298   1.882   0.510
   27    HD2  PHE   4           2HD      PHE   4 -11.158   1.749  -2.358
   28    HE1  PHE   4           1HE      PHE   4 -14.140   4.336   0.575
   29    HE2  PHE   4           2HE      PHE   4 -10.994   4.201  -2.299
   30    HZ   PHE   4           HZ       PHE   4 -12.486   5.499  -0.830
   31    HA   PRO   5           HA       PRO   5  -9.282  -0.761   2.754
   32   1HB   PRO   5          2HB       PRO   5  -6.719  -0.034   1.520
   33   2HB   PRO   5          1HB       PRO   5  -7.124  -1.427   2.525
   34   1HG   PRO   5          2HG       PRO   5  -6.628  -1.641  -0.120
   35   2HG   PRO   5          1HG       PRO   5  -7.770  -2.702   0.726
   36   1HD   PRO   5          2HD       PRO   5  -8.309  -0.349  -1.034
   37   2HD   PRO   5          1HD       PRO   5  -9.192  -1.884  -0.897
   38    H    ILE   6           H        ILE   6  -7.008   0.916   3.227
   39    HA   ILE   6           HA       ILE   6  -8.372   3.462   3.469
   40    HB   ILE   6           HB       ILE   6  -6.364   4.104   4.827
   41   1HG1  ILE   6          2HG1      ILE   6  -5.639   1.202   4.352
   42   2HG1  ILE   6          1HG1      ILE   6  -4.723   2.608   3.821
   43   1HG2  ILE   6          1HG2      ILE   6  -7.661   3.454   6.504
   44   2HG2  ILE   6          2HG2      ILE   6  -7.070   1.802   6.330
   45   3HG2  ILE   6          3HG2      ILE   6  -8.493   2.328   5.432
   46   1HD1  ILE   6          1HD1      ILE   6  -5.257   2.065   6.720
   47   2HD1  ILE   6          2HD1      ILE   6  -4.038   3.117   6.001
   48   3HD1  ILE   6          3HD1      ILE   6  -3.882   1.366   5.866
   49    H    CYS   7           H        CYS   7  -5.611   2.093   1.787
   50    HA   CYS   7           HA       CYS   7  -4.315   2.854   0.090
   51   1HB   CYS   7          2HB       CYS   7  -6.564   4.849  -0.168
   52   2HB   CYS   7          1HB       CYS   7  -5.226   4.743  -1.305
   53    H    ILE   8           H        ILE   8  -3.438   3.558   2.545
   54    HA   ILE   8           HA       ILE   8  -2.869   6.386   2.663
   55    HB   ILE   8           HB       ILE   8  -1.497   5.819   4.637
   56   1HG1  ILE   8          2HG1      ILE   8  -2.423   2.984   4.120
   57   2HG1  ILE   8          1HG1      ILE   8  -0.784   3.570   3.859
   58   1HG2  ILE   8          1HG2      ILE   8  -4.306   4.743   4.545
   59   2HG2  ILE   8          2HG2      ILE   8  -3.781   6.359   5.018
   60   3HG2  ILE   8          3HG2      ILE   8  -3.393   4.973   6.037
   61   1HD1  ILE   8          1HD1      ILE   8  -0.280   3.524   6.051
   62   2HD1  ILE   8          2HD1      ILE   8  -1.582   2.334   6.092
   63   3HD1  ILE   8          3HD1      ILE   8  -1.902   4.008   6.548
   64    H    PHE   9           H        PHE   9  -0.895   7.375   2.415
   65    HA   PHE   9           HA       PHE   9   0.828   6.329   0.419
   66   1HB   PHE   9          2HB       PHE   9   0.476   8.735   0.677
   67   2HB   PHE   9          1HB       PHE   9   1.181   8.686   2.289
   68    HD1  PHE   9           1HD      PHE   9   2.219   7.367  -1.053
   69    HD2  PHE   9           2HD      PHE   9   3.215   9.723   2.348
   70    HE1  PHE   9           1HE      PHE   9   4.442   7.807  -2.013
   71    HE2  PHE   9           2HE      PHE   9   5.438  10.168   1.394
   72    HZ   PHE   9           HZ       PHE   9   6.053   9.211  -0.789
   73    H    CYS  10           H        CYS  10   2.779   5.311   0.577
   74    HA   CYS  10           HA       CYS  10   4.353   5.263   2.939
   75   1HB   CYS  10          2HB       CYS  10   3.594   3.472   4.043
   76   2HB   CYS  10          1HB       CYS  10   2.211   3.458   2.957
   77    H    CYS  11           H        CYS  11   6.371   4.261   2.631
   78    HA   CYS  11           HA       CYS  11   6.847   3.321  -0.121
   79   1HB   CYS  11          2HB       CYS  11   7.811   5.540   0.183
   80   2HB   CYS  11          1HB       CYS  11   8.676   4.990   1.614
   81    H    GLY  12           H        GLY  12   7.678   1.345  -0.297
   82   1HA   GLY  12          2HA       GLY  12   8.302  -0.212   2.004
   83   2HA   GLY  12          1HA       GLY  12   8.537  -0.697   0.329
   84    H    CYS  13           H        CYS  13  10.057  -0.043   3.158
   85    HA   CYS  13           HA       CYS  13  12.410   1.326   2.420
   86   1HB   CYS  13          2HB       CYS  13  12.251   1.284   4.703
   87   2HB   CYS  13          1HB       CYS  13  11.503  -0.309   4.726
   88    H    CYS  14           H        CYS  14  12.255  -1.906   3.565
   89    HA   CYS  14           HA       CYS  14  14.586  -2.635   2.008
   90   1HB   CYS  14          2HB       CYS  14  13.780  -4.494   4.048
   91   2HB   CYS  14          1HB       CYS  14  15.226  -3.487   3.968
   92    H    HIS  15           H        HIS  15  11.342  -3.878   2.826
   93    HA   HIS  15           HA       HIS  15  11.520  -6.252   1.322
   94   1HB   HIS  15          2HB       HIS  15   9.715  -5.748   2.981
   95   2HB   HIS  15          1HB       HIS  15   9.041  -4.585   1.847
   96    HD1  HIS  15           1HD      HIS  15   7.000  -6.452   2.415
   97    HD2  HIS  15           2HD      HIS  15  10.005  -7.516  -0.251
   98    HE1  HIS  15           1HE      HIS  15   6.062  -8.357   1.070
   99    HE2  HIS  15           2HE      HIS  15   7.930  -9.044  -0.473
  100    H    ARG  16           H        ARG  16   9.186  -3.831   0.310
  101    HA   ARG  16           HA       ARG  16  10.120  -4.131  -2.438
  102   1HB   ARG  16          2HB       ARG  16   8.043  -2.951  -3.072
  103   2HB   ARG  16          1HB       ARG  16   7.724  -4.391  -2.120
  104   1HG   ARG  16          2HG       ARG  16   7.826  -1.658  -0.884
  105   2HG   ARG  16          1HG       ARG  16   6.356  -2.312  -1.607
  106   1HD   ARG  16          2HD       ARG  16   7.929  -3.584   0.631
  107   2HD   ARG  16          1HD       ARG  16   6.438  -2.664   0.823
  108    HE   ARG  16           HE       ARG  16   6.642  -5.386   0.136
  109   1HH1  ARG  16          1HH1      ARG  16   4.834  -2.519  -0.687
  110   2HH1  ARG  16          2HH1      ARG  16   3.431  -3.395  -1.197
  111   1HH2  ARG  16          1HH2      ARG  16   4.798  -6.544  -0.536
  112   2HH2  ARG  16          2HH2      ARG  16   3.411  -5.682  -1.114
  113    H    SER  17           H        SER  17  11.848  -2.843  -2.777
  114    HA   SER  17           HA       SER  17  12.262  -0.331  -1.534
  115   1HB   SER  17          2HB       SER  17  14.163  -0.111  -3.100
  116   2HB   SER  17          1HB       SER  17  14.138  -1.691  -2.318
  117    HG   SER  17           HG       SER  17  12.710  -1.903  -4.523
  118    H    LYS  18           H        LYS  18   9.984   0.351  -2.163
  119    HA   LYS  18           HA       LYS  18  10.221   2.138  -4.458
  120   1HB   LYS  18          2HB       LYS  18   8.046   1.469  -5.392
  121   2HB   LYS  18          1HB       LYS  18   9.219   0.159  -5.441
  122   1HG   LYS  18          2HG       LYS  18   8.190  -0.835  -3.458
  123   2HG   LYS  18          1HG       LYS  18   7.009   0.476  -3.420
  124   1HD   LYS  18          2HD       LYS  18   6.203  -0.195  -5.636
  125   2HD   LYS  18          1HD       LYS  18   7.379  -1.511  -5.663
  126   1HE   LYS  18          2HE       LYS  18   5.175  -2.328  -5.026
  127   2HE   LYS  18          1HE       LYS  18   6.319  -2.500  -3.696
  128   1HZ   LYS  18          1HZ       LYS  18   4.112  -0.555  -3.982
  129   2HZ   LYS  18          2HZ       LYS  18   5.391  -0.277  -2.909
  130   3HZ   LYS  18          3HZ       LYS  18   4.409  -1.641  -2.718
  131    H    CYS  19           H        CYS  19   9.119   4.032  -4.264
  132    HA   CYS  19           HA       CYS  19   7.609   4.413  -1.767
  133   1HB   CYS  19          2HB       CYS  19   9.079   6.389  -3.522
  134   2HB   CYS  19          1HB       CYS  19   8.065   6.860  -2.162
  135    H    GLY  20           H        GLY  20   5.462   4.785  -1.873
  136   1HA   GLY  20          2HA       GLY  20   4.134   6.412  -3.666
  137   2HA   GLY  20          1HA       GLY  20   4.126   4.818  -4.402
  138    H    MET  21           H        MET  21   1.937   4.478  -4.259
  139    HA   MET  21           HA       MET  21   0.558   4.779  -1.733
  140   1HB   MET  21          2HB       MET  21  -0.384   3.694  -4.393
  141   2HB   MET  21          1HB       MET  21  -1.414   3.960  -2.992
  142   1HG   MET  21          2HG       MET  21  -0.954   6.342  -3.081
  143   2HG   MET  21          1HG       MET  21   0.129   6.095  -4.450
  144   1HE   MET  21          1HE       MET  21  -1.314   3.891  -6.045
  145   2HE   MET  21          2HE       MET  21  -0.794   5.315  -6.946
  146   3HE   MET  21          3HE       MET  21  -2.440   4.709  -7.127
  147    H    CYS  22           H        CYS  22  -0.093   3.179  -0.366
  148    HA   CYS  22           HA       CYS  22   0.719   0.434  -1.066
  149   1HB   CYS  22          2HB       CYS  22   0.816   1.725   1.668
  150   2HB   CYS  22          1HB       CYS  22   1.271   0.065   1.295
  151    H    CYS  23           H        CYS  23  -1.689   0.900  -1.841
  152    HA   CYS  23           HA       CYS  23  -3.581   0.264   0.293
  153   1HB   CYS  23          2HB       CYS  23  -3.920   2.117  -1.525
  154   2HB   CYS  23          1HB       CYS  23  -4.364   0.762  -2.559
  155    H    LYS  24           H        LYS  24  -3.101  -1.879   0.614
  156    HA   LYS  24           HA       LYS  24  -2.570  -3.911  -1.089
  157   1HB   LYS  24          2HB       LYS  24  -4.567  -4.168   1.164
  158   2HB   LYS  24          1HB       LYS  24  -3.559  -5.442   0.496
  159   1HG   LYS  24          2HG       LYS  24  -2.588  -3.032   2.017
  160   2HG   LYS  24          1HG       LYS  24  -2.709  -4.678   2.637
  161   1HD   LYS  24          2HD       LYS  24  -1.080  -5.422   0.960
  162   2HD   LYS  24          1HD       LYS  24  -0.953  -3.768   0.359
  163   1HE   LYS  24          2HE       LYS  24   0.897  -4.298   1.855
  164   2HE   LYS  24          1HE       LYS  24  -0.126  -3.034   2.538
  165   1HZ   LYS  24          1HZ       LYS  24  -0.721  -4.329   4.246
  166   2HZ   LYS  24          2HZ       LYS  24   0.658  -5.229   3.862
  167   3HZ   LYS  24          3HZ       LYS  24  -0.859  -5.725   3.299
  168    H    THR  25           H        THR  25  -3.513  -4.847  -2.781
  169    HA   THR  25           HA       THR  25  -6.350  -5.218  -2.969
  170    HB   THR  25           HB       THR  25  -5.051  -3.316  -4.934
  171    HG1  THR  25           1HG      THR  25  -7.127  -2.864  -3.030
  172   1HG2  THR  25          1HG2      THR  25  -6.656  -4.689  -6.080
  173   2HG2  THR  25          2HG2      THR  25  -7.379  -3.102  -5.816
  174   3HG2  THR  25          3HG2      THR  25  -7.839  -4.461  -4.792
  Start of MODEL   17
    1   1H    ASP   1          1HT       ASP   1  -8.119  -7.264   3.510
    2   2H    ASP   1          2HT       ASP   1  -6.447  -7.051   3.654
    3   3H    ASP   1          3HT       ASP   1  -7.079  -8.591   3.358
    4    HA   ASP   1           HA       ASP   1  -6.257  -6.683   1.505
    5   1HB   ASP   1          2HB       ASP   1  -6.018  -9.172   1.451
    6   2HB   ASP   1          1HB       ASP   1  -7.741  -9.295   1.110
    7    H    THR   2           H        THR   2  -8.297  -5.313   2.630
    8    HA   THR   2           HA       THR   2 -10.820  -5.591   1.425
    9    HB   THR   2           HB       THR   2 -11.201  -3.231   2.097
   10    HG1  THR   2           1HG      THR   2  -9.532  -2.087   3.054
   11   1HG2  THR   2          1HG2      THR   2  -9.805  -4.759   4.288
   12   2HG2  THR   2          2HG2      THR   2 -11.406  -5.185   3.683
   13   3HG2  THR   2          3HG2      THR   2 -11.140  -3.616   4.443
   14    H    HIS   3           H        HIS   3 -11.680  -4.864  -0.437
   15    HA   HIS   3           HA       HIS   3  -9.919  -4.144  -2.555
   16   1HB   HIS   3          2HB       HIS   3 -11.994  -4.033  -3.926
   17   2HB   HIS   3          1HB       HIS   3 -11.801  -5.546  -3.052
   18    HD1  HIS   3           1HD      HIS   3 -14.532  -5.260  -3.847
   19    HD2  HIS   3           2HD      HIS   3 -13.160  -3.268  -0.467
   20    HE1  HIS   3           1HE      HIS   3 -16.584  -4.753  -2.484
   21    HE2  HIS   3           2HE      HIS   3 -15.726  -3.594  -0.419
   22    H    PHE   4           H        PHE   4 -11.920  -2.302  -0.382
   23    HA   PHE   4           HA       PHE   4 -11.111   0.132  -1.825
   24   1HB   PHE   4          2HB       PHE   4 -13.495  -0.404  -2.288
   25   2HB   PHE   4          1HB       PHE   4 -13.824  -0.303  -0.562
   26    HD1  PHE   4           1HD      PHE   4 -11.826   1.865  -2.852
   27    HD2  PHE   4           2HD      PHE   4 -15.118   1.551  -0.174
   28    HE1  PHE   4           1HE      PHE   4 -12.231   4.280  -3.074
   29    HE2  PHE   4           2HE      PHE   4 -15.530   3.966  -0.392
   30    HZ   PHE   4           HZ       PHE   4 -14.086   5.335  -1.844
   31    HA   PRO   5           HA       PRO   5 -10.216   0.409   2.778
   32   1HB   PRO   5          2HB       PRO   5  -7.528   0.447   2.698
   33   2HB   PRO   5          1HB       PRO   5  -8.438  -1.066   2.713
   34   1HG   PRO   5          2HG       PRO   5  -7.146   0.346   0.419
   35   2HG   PRO   5          1HG       PRO   5  -7.208  -1.389   0.777
   36   1HD   PRO   5          2HD       PRO   5  -8.843  -0.121  -1.037
   37   2HD   PRO   5          1HD       PRO   5  -9.251  -1.637  -0.214
   38    H    ILE   6           H        ILE   6  -7.785   1.911   3.258
   39    HA   ILE   6           HA       ILE   6  -8.689   4.541   2.334
   40    HB   ILE   6           HB       ILE   6  -7.134   5.406   4.120
   41   1HG1  ILE   6          2HG1      ILE   6  -7.052   2.469   4.846
   42   2HG1  ILE   6          1HG1      ILE   6  -5.686   3.466   4.357
   43   1HG2  ILE   6          1HG2      ILE   6  -9.728   4.506   4.256
   44   2HG2  ILE   6          2HG2      ILE   6  -8.918   5.511   5.457
   45   3HG2  ILE   6          3HG2      ILE   6  -8.972   3.760   5.664
   46   1HD1  ILE   6          1HD1      ILE   6  -6.421   2.915   6.927
   47   2HD1  ILE   6          2HD1      ILE   6  -7.115   4.516   6.669
   48   3HD1  ILE   6          3HD1      ILE   6  -5.390   4.252   6.419
   49    H    CYS   7           H        CYS   7  -5.987   2.350   2.341
   50    HA   CYS   7           HA       CYS   7  -4.054   2.251   1.172
   51   1HB   CYS   7          2HB       CYS   7  -5.689   2.586  -0.708
   52   2HB   CYS   7          1HB       CYS   7  -5.297   4.301  -0.662
   53    H    ILE   8           H        ILE   8  -3.614   3.676   3.320
   54    HA   ILE   8           HA       ILE   8  -2.839   6.358   3.051
   55    HB   ILE   8           HB       ILE   8  -1.538   6.083   5.063
   56   1HG1  ILE   8          2HG1      ILE   8  -1.890   3.101   4.659
   57   2HG1  ILE   8          1HG1      ILE   8  -0.387   3.992   4.454
   58   1HG2  ILE   8          1HG2      ILE   8  -3.337   5.835   6.368
   59   2HG2  ILE   8          2HG2      ILE   8  -3.657   4.204   5.776
   60   3HG2  ILE   8          3HG2      ILE   8  -4.211   5.601   4.853
   61   1HD1  ILE   8          1HD1      ILE   8  -0.091   4.273   6.713
   62   2HD1  ILE   8          2HD1      ILE   8  -0.845   2.680   6.646
   63   3HD1  ILE   8          3HD1      ILE   8  -1.808   4.095   7.070
   64    H    PHE   9           H        PHE   9  -0.852   7.339   2.653
   65    HA   PHE   9           HA       PHE   9   0.719   6.215   0.622
   66   1HB   PHE   9          2HB       PHE   9   0.515   8.653   1.078
   67   2HB   PHE   9          1HB       PHE   9   1.491   8.439   2.526
   68    HD1  PHE   9           1HD      PHE   9   3.489   9.521   2.172
   69    HD2  PHE   9           2HD      PHE   9   1.891   7.075  -0.922
   70    HE1  PHE   9           1HE      PHE   9   5.529   9.876   0.844
   71    HE2  PHE   9           2HE      PHE   9   3.930   7.423  -2.255
   72    HZ   PHE   9           HZ       PHE   9   5.754   8.824  -1.372
   73    H    CYS  10           H        CYS  10   1.948   4.452   0.844
   74    HA   CYS  10           HA       CYS  10   3.542   4.153   3.299
   75   1HB   CYS  10          2HB       CYS  10   2.171   2.156   1.539
   76   2HB   CYS  10          1HB       CYS  10   3.593   1.669   2.450
   77    H    CYS  11           H        CYS  11   5.671   3.132   3.030
   78    HA   CYS  11           HA       CYS  11   6.799   3.578   0.346
   79   1HB   CYS  11          2HB       CYS  11   7.927   4.391   3.017
   80   2HB   CYS  11          1HB       CYS  11   8.949   4.200   1.601
   81    H    GLY  12           H        GLY  12   7.899   1.917  -0.487
   82   1HA   GLY  12          2HA       GLY  12   8.116  -0.552   0.938
   83   2HA   GLY  12          1HA       GLY  12   8.747  -0.220  -0.671
   84    H    CYS  13           H        CYS  13   9.355   0.047   2.752
   85    HA   CYS  13           HA       CYS  13  11.866   1.236   2.780
   86   1HB   CYS  13          2HB       CYS  13  10.983   1.107   4.898
   87   2HB   CYS  13          1HB       CYS  13  10.341  -0.513   4.649
   88    H    CYS  14           H        CYS  14  11.455  -1.996   3.822
   89    HA   CYS  14           HA       CYS  14  14.119  -2.669   2.957
   90   1HB   CYS  14          2HB       CYS  14  12.760  -4.598   4.610
   91   2HB   CYS  14          1HB       CYS  14  14.174  -3.610   4.974
   92    H    HIS  15           H        HIS  15  10.839  -4.105   2.762
   93    HA   HIS  15           HA       HIS  15  11.575  -6.395   1.324
   94   1HB   HIS  15          2HB       HIS  15   8.989  -4.821   1.151
   95   2HB   HIS  15          1HB       HIS  15   9.220  -6.467   0.568
   96    HD1  HIS  15           1HD      HIS  15  10.287  -8.044   2.729
   97    HD2  HIS  15           2HD      HIS  15   7.736  -4.864   3.531
   98    HE1  HIS  15           1HE      HIS  15   9.341  -8.501   5.014
   99    HE2  HIS  15           2HE      HIS  15   7.867  -6.519   5.513
  100    H    ARG  16           H        ARG  16   9.522  -4.162  -0.411
  101    HA   ARG  16           HA       ARG  16  11.365  -4.279  -2.674
  102   1HB   ARG  16          2HB       ARG  16   9.541  -3.325  -4.000
  103   2HB   ARG  16          1HB       ARG  16   8.993  -4.753  -3.138
  104   1HG   ARG  16          2HG       ARG  16   8.523  -1.976  -2.101
  105   2HG   ARG  16          1HG       ARG  16   7.416  -2.773  -3.218
  106   1HD   ARG  16          2HD       ARG  16   8.230  -3.792  -0.497
  107   2HD   ARG  16          1HD       ARG  16   6.692  -3.030  -0.897
  108    HE   ARG  16           HE       ARG  16   7.084  -5.234  -2.589
  109   1HH1  ARG  16          1HH1      ARG  16   6.448  -4.510   0.760
  110   2HH1  ARG  16          2HH1      ARG  16   5.609  -5.996   1.055
  111   1HH2  ARG  16          1HH2      ARG  16   5.976  -7.191  -2.210
  112   2HH2  ARG  16          2HH2      ARG  16   5.340  -7.519  -0.633
  113    H    SER  17           H        SER  17  12.729  -2.622  -3.078
  114    HA   SER  17           HA       SER  17  12.747  -0.327  -1.376
  115   1HB   SER  17          2HB       SER  17  14.833  -1.314  -2.210
  116   2HB   SER  17          1HB       SER  17  14.372  -0.911  -3.864
  117    HG   SER  17           HG       SER  17  14.719   1.186  -3.473
  118    H    LYS  18           H        LYS  18  10.356  -0.022  -2.278
  119    HA   LYS  18           HA       LYS  18  10.520   2.320  -3.988
  120   1HB   LYS  18          2HB       LYS  18   8.722   1.517  -5.500
  121   2HB   LYS  18          1HB       LYS  18  10.217   0.606  -5.652
  122   1HG   LYS  18          2HG       LYS  18   9.254  -1.163  -4.235
  123   2HG   LYS  18          1HG       LYS  18   7.742  -0.256  -4.168
  124   1HD   LYS  18          2HD       LYS  18   9.046  -1.301  -6.682
  125   2HD   LYS  18          1HD       LYS  18   7.681  -2.050  -5.852
  126   1HE   LYS  18          2HE       LYS  18   6.348  -0.031  -6.232
  127   2HE   LYS  18          1HE       LYS  18   7.713   0.713  -7.064
  128   1HZ   LYS  18          1HZ       LYS  18   7.498  -1.529  -8.448
  129   2HZ   LYS  18          2HZ       LYS  18   6.649  -0.124  -8.853
  130   3HZ   LYS  18          3HZ       LYS  18   5.880  -1.354  -7.982
  131    H    CYS  19           H        CYS  19   9.235   3.878  -3.196
  132    HA   CYS  19           HA       CYS  19   7.353   3.203  -1.108
  133   1HB   CYS  19          2HB       CYS  19   8.805   5.207  -0.918
  134   2HB   CYS  19          1HB       CYS  19   7.973   5.915  -2.301
  135    H    GLY  20           H        GLY  20   5.169   3.214  -1.223
  136   1HA   GLY  20          2HA       GLY  20   3.748   4.415  -3.419
  137   2HA   GLY  20          1HA       GLY  20   3.800   2.661  -3.513
  138    H    MET  21           H        MET  21   1.480   4.392  -3.174
  139    HA   MET  21           HA       MET  21   0.577   4.405  -0.512
  140   1HB   MET  21          2HB       MET  21  -1.044   4.276  -3.062
  141   2HB   MET  21          1HB       MET  21  -1.682   4.677  -1.474
  142   1HG   MET  21          2HG       MET  21  -1.406   6.718  -2.594
  143   2HG   MET  21          1HG       MET  21  -0.071   6.615  -1.449
  144   1HE   MET  21          1HE       MET  21  -0.404   4.713  -4.912
  145   2HE   MET  21          2HE       MET  21   0.324   5.904  -5.990
  146   3HE   MET  21          3HE       MET  21  -1.189   6.272  -5.162
  147    H    CYS  22           H        CYS  22   0.313   2.703   0.747
  148    HA   CYS  22           HA       CYS  22  -0.002   0.049  -0.269
  149   1HB   CYS  22          2HB       CYS  22  -0.261  -0.520   2.189
  150   2HB   CYS  22          1HB       CYS  22   1.246   0.271   1.738
  151    H    CYS  23           H        CYS  23  -1.963   0.245  -1.483
  152    HA   CYS  23           HA       CYS  23  -4.425   0.955  -0.263
  153   1HB   CYS  23          2HB       CYS  23  -3.777  -0.508  -2.820
  154   2HB   CYS  23          1HB       CYS  23  -5.426  -0.152  -2.317
  155    H    LYS  24           H        LYS  24  -5.071  -1.908  -1.849
  156    HA   LYS  24           HA       LYS  24  -6.280  -3.161   0.281
  157   1HB   LYS  24          2HB       LYS  24  -6.464  -5.107  -1.088
  158   2HB   LYS  24          1HB       LYS  24  -6.591  -3.710  -2.144
  159   1HG   LYS  24          2HG       LYS  24  -4.131  -5.408  -1.766
  160   2HG   LYS  24          1HG       LYS  24  -5.238  -5.480  -3.135
  161   1HD   LYS  24          2HD       LYS  24  -3.614  -3.063  -2.336
  162   2HD   LYS  24          1HD       LYS  24  -3.191  -4.190  -3.626
  163   1HE   LYS  24          2HE       LYS  24  -5.689  -2.505  -3.507
  164   2HE   LYS  24          1HE       LYS  24  -4.269  -2.165  -4.494
  165   1HZ   LYS  24          1HZ       LYS  24  -5.617  -3.237  -5.981
  166   2HZ   LYS  24          2HZ       LYS  24  -6.300  -4.260  -4.821
  167   3HZ   LYS  24          3HZ       LYS  24  -4.732  -4.550  -5.383
  168    H    THR  25           H        THR  25  -2.945  -3.469  -0.830
  169    HA   THR  25           HA       THR  25  -2.192  -5.678   0.713
  170    HB   THR  25           HB       THR  25   0.120  -4.875   0.476
  171    HG1  THR  25           1HG      THR  25  -0.384  -2.729  -1.093
  172   1HG2  THR  25          1HG2      THR  25  -0.779  -4.211  -2.203
  173   2HG2  THR  25          2HG2      THR  25  -1.618  -5.619  -1.552
  174   3HG2  THR  25          3HG2      THR  25   0.144  -5.603  -1.638
  Start of MODEL   18
    1   1H    ASP   1          1HT       ASP   1  -9.122  -2.591   2.738
    2   2H    ASP   1          2HT       ASP   1  -8.082  -2.972   4.015
    3   3H    ASP   1          3HT       ASP   1  -9.745  -3.232   4.176
    4    HA   ASP   1           HA       ASP   1  -7.828  -4.697   2.466
    5   1HB   ASP   1          2HB       ASP   1  -9.742  -5.546   4.655
    6   2HB   ASP   1          1HB       ASP   1  -8.675  -6.625   3.762
    7    H    THR   2           H        THR   2  -9.780  -3.147   1.176
    8    HA   THR   2           HA       THR   2 -11.461  -5.273   0.043
    9    HB   THR   2           HB       THR   2 -13.350  -3.700  -0.189
   10    HG1  THR   2           1HG      THR   2 -11.785  -2.001   1.485
   11   1HG2  THR   2          1HG2      THR   2 -13.948  -4.835   1.650
   12   2HG2  THR   2          2HG2      THR   2 -13.455  -3.397   2.545
   13   3HG2  THR   2          3HG2      THR   2 -12.328  -4.740   2.340
   14    H    HIS   3           H        HIS   3 -12.779  -3.178  -1.650
   15    HA   HIS   3           HA       HIS   3 -10.922  -3.266  -3.821
   16   1HB   HIS   3          2HB       HIS   3 -13.590  -1.870  -3.559
   17   2HB   HIS   3          1HB       HIS   3 -12.684  -2.031  -5.059
   18    HD1  HIS   3           1HD      HIS   3 -13.893  -4.472  -2.386
   19    HD2  HIS   3           2HD      HIS   3 -13.679  -4.068  -6.517
   20    HE1  HIS   3           1HE      HIS   3 -14.940  -6.559  -3.322
   21    HE2  HIS   3           2HE      HIS   3 -14.850  -6.268  -5.823
   22    H    PHE   4           H        PHE   4 -12.247  -0.669  -1.792
   23    HA   PHE   4           HA       PHE   4  -9.895   0.943  -2.403
   24   1HB   PHE   4          2HB       PHE   4 -11.617   1.603  -4.063
   25   2HB   PHE   4          1HB       PHE   4 -12.704   2.018  -2.743
   26    HD1  PHE   4           1HD      PHE   4 -12.954   4.278  -2.535
   27    HD2  PHE   4           2HD      PHE   4  -9.107   2.723  -3.484
   28    HE1  PHE   4           1HE      PHE   4 -12.025   6.556  -2.487
   29    HE2  PHE   4           2HE      PHE   4  -8.172   4.997  -3.435
   30    HZ   PHE   4           HZ       PHE   4  -9.630   6.918  -2.936
   31    HA   PRO   5           HA       PRO   5 -11.406   0.998   2.070
   32   1HB   PRO   5          2HB       PRO   5  -8.996   0.278   3.137
   33   2HB   PRO   5          1HB       PRO   5 -10.244  -0.886   2.676
   34   1HG   PRO   5          2HG       PRO   5  -7.808  -0.022   1.163
   35   2HG   PRO   5          1HG       PRO   5  -8.464  -1.654   1.387
   36   1HD   PRO   5          2HD       PRO   5  -8.860  -0.270  -0.880
   37   2HD   PRO   5          1HD       PRO   5 -10.102  -1.352  -0.217
   38    H    ILE   6           H        ILE   6  -8.714   1.629   3.505
   39    HA   ILE   6           HA       ILE   6  -8.964   4.480   3.263
   40    HB   ILE   6           HB       ILE   6  -7.039   4.499   4.924
   41   1HG1  ILE   6          2HG1      ILE   6  -6.529   2.017   4.198
   42   2HG1  ILE   6          1HG1      ILE   6  -6.184   2.566   5.825
   43   1HG2  ILE   6          1HG2      ILE   6  -8.465   4.015   6.768
   44   2HG2  ILE   6          2HG2      ILE   6  -9.476   2.975   5.771
   45   3HG2  ILE   6          3HG2      ILE   6  -9.448   4.714   5.482
   46   1HD1  ILE   6          1HD1      ILE   6  -8.870   1.517   5.590
   47   2HD1  ILE   6          2HD1      ILE   6  -7.566   1.055   6.683
   48   3HD1  ILE   6          3HD1      ILE   6  -7.658   0.343   5.072
   49    H    CYS   7           H        CYS   7  -6.719   2.002   2.249
   50    HA   CYS   7           HA       CYS   7  -4.938   2.012   0.857
   51   1HB   CYS   7          2HB       CYS   7  -6.303   4.521  -0.099
   52   2HB   CYS   7          1HB       CYS   7  -4.877   3.845  -0.883
   53    H    ILE   8           H        ILE   8  -4.276   2.704   3.310
   54    HA   ILE   8           HA       ILE   8  -3.068   5.146   3.803
   55    HB   ILE   8           HB       ILE   8  -1.678   4.005   5.450
   56   1HG1  ILE   8          2HG1      ILE   8  -2.675   1.455   4.144
   57   2HG1  ILE   8          1HG1      ILE   8  -1.023   2.062   4.110
   58   1HG2  ILE   8          1HG2      ILE   8  -4.359   2.649   5.475
   59   2HG2  ILE   8          2HG2      ILE   8  -4.179   4.382   5.760
   60   3HG2  ILE   8          3HG2      ILE   8  -3.401   3.224   6.841
   61   1HD1  ILE   8          1HD1      ILE   8  -2.544   0.975   6.454
   62   2HD1  ILE   8          2HD1      ILE   8  -1.030   1.864   6.623
   63   3HD1  ILE   8          3HD1      ILE   8  -1.069   0.352   5.718
   64    H    PHE   9           H        PHE   9  -1.242   6.130   3.139
   65    HA   PHE   9           HA       PHE   9   0.237   5.038   0.953
   66   1HB   PHE   9          2HB       PHE   9  -0.159   7.444   1.125
   67   2HB   PHE   9          1HB       PHE   9   0.737   7.504   2.638
   68    HD1  PHE   9           1HD      PHE   9   2.612   8.787   2.260
   69    HD2  PHE   9           2HD      PHE   9   1.524   5.827  -0.599
   70    HE1  PHE   9           1HE      PHE   9   4.686   9.233   1.014
   71    HE2  PHE   9           2HE      PHE   9   3.598   6.269  -1.850
   72    HZ   PHE   9           HZ       PHE   9   5.181   7.975  -1.043
   73    H    CYS  10           H        CYS  10   2.201   4.035   0.932
   74    HA   CYS  10           HA       CYS  10   3.869   4.074   3.309
   75   1HB   CYS  10          2HB       CYS  10   3.970   1.637   3.518
   76   2HB   CYS  10          1HB       CYS  10   2.323   2.211   3.753
   77    H    CYS  11           H        CYS  11   5.838   4.493   2.566
   78    HA   CYS  11           HA       CYS  11   6.517   3.886  -0.168
   79   1HB   CYS  11          2HB       CYS  11   7.217   6.016   0.872
   80   2HB   CYS  11          1HB       CYS  11   8.226   5.118   2.002
   81    H    GLY  12           H        GLY  12   7.652   2.203  -0.892
   82   1HA   GLY  12          2HA       GLY  12   8.252   0.003   0.767
   83   2HA   GLY  12          1HA       GLY  12   8.812   0.219  -0.888
   84    H    CYS  13           H        CYS  13   9.599   0.337   2.408
   85    HA   CYS  13           HA       CYS  13  11.876   1.964   2.457
   86   1HB   CYS  13          2HB       CYS  13  11.157   1.485   4.588
   87   2HB   CYS  13          1HB       CYS  13  10.764  -0.186   4.196
   88    H    CYS  14           H        CYS  14  12.029  -1.386   3.152
   89    HA   CYS  14           HA       CYS  14  14.696  -1.533   2.055
   90   1HB   CYS  14          2HB       CYS  14  13.836  -3.790   3.610
   91   2HB   CYS  14          1HB       CYS  14  15.064  -2.580   3.982
   92    H    HIS  15           H        HIS  15  11.727  -3.565   2.048
   93    HA   HIS  15           HA       HIS  15  12.690  -5.518   0.290
   94   1HB   HIS  15          2HB       HIS  15   9.860  -4.464   0.575
   95   2HB   HIS  15          1HB       HIS  15  10.303  -5.957  -0.248
   96    HD1  HIS  15           1HD      HIS  15  11.007  -4.513   3.215
   97    HD2  HIS  15           2HD      HIS  15   9.850  -8.056   1.378
   98    HE1  HIS  15           1HE      HIS  15  10.691  -6.167   5.083
   99    HE2  HIS  15           2HE      HIS  15  10.058  -8.322   3.942
  100    H    ARG  16           H        ARG  16  10.163  -3.320  -0.809
  101    HA   ARG  16           HA       ARG  16  11.543  -3.041  -3.371
  102   1HB   ARG  16          2HB       ARG  16   8.753  -2.459  -2.415
  103   2HB   ARG  16          1HB       ARG  16   9.355  -1.714  -3.887
  104   1HG   ARG  16          2HG       ARG  16   8.101  -3.672  -4.435
  105   2HG   ARG  16          1HG       ARG  16   9.802  -3.948  -4.801
  106   1HD   ARG  16          2HD       ARG  16  10.059  -5.205  -2.730
  107   2HD   ARG  16          1HD       ARG  16   8.374  -4.895  -2.318
  108    HE   ARG  16           HE       ARG  16   9.322  -6.971  -3.949
  109   1HH1  ARG  16          1HH1      ARG  16   6.765  -4.602  -3.853
  110   2HH1  ARG  16          2HH1      ARG  16   5.670  -5.559  -4.794
  111   1HH2  ARG  16          1HH2      ARG  16   7.885  -8.234  -5.185
  112   2HH2  ARG  16          2HH2      ARG  16   6.307  -7.623  -5.550
  113    H    SER  17           H        SER  17  12.951  -1.370  -3.520
  114    HA   SER  17           HA       SER  17  12.842   0.836  -1.685
  115   1HB   SER  17          2HB       SER  17  14.785   1.696  -2.962
  116   2HB   SER  17          1HB       SER  17  15.000   0.010  -2.491
  117    HG   SER  17           HG       SER  17  14.866  -0.596  -4.530
  118    H    LYS  18           H        LYS  18  10.441   0.964  -2.698
  119    HA   LYS  18           HA       LYS  18  10.497   3.396  -4.303
  120   1HB   LYS  18          2HB       LYS  18   8.815   2.496  -5.906
  121   2HB   LYS  18          1HB       LYS  18  10.398   1.742  -6.035
  122   1HG   LYS  18          2HG       LYS  18   9.547  -0.147  -4.662
  123   2HG   LYS  18          1HG       LYS  18   7.946   0.593  -4.719
  124   1HD   LYS  18          2HD       LYS  18   8.130  -1.135  -6.414
  125   2HD   LYS  18          1HD       LYS  18   7.990   0.449  -7.176
  126   1HE   LYS  18          2HE       LYS  18   9.683  -0.943  -8.273
  127   2HE   LYS  18          1HE       LYS  18  10.390   0.505  -7.555
  128   1HZ   LYS  18          1HZ       LYS  18  10.747  -1.119  -5.548
  129   2HZ   LYS  18          2HZ       LYS  18  11.844  -1.074  -6.833
  130   3HZ   LYS  18          3HZ       LYS  18  10.682  -2.300  -6.758
  131    H    CYS  19           H        CYS  19   8.953   4.808  -3.724
  132    HA   CYS  19           HA       CYS  19   7.202   4.186  -1.548
  133   1HB   CYS  19          2HB       CYS  19   7.345   6.641  -3.312
  134   2HB   CYS  19          1HB       CYS  19   6.399   6.513  -1.834
  135    H    GLY  20           H        GLY  20   4.992   3.851  -1.538
  136   1HA   GLY  20          2HA       GLY  20   3.385   4.291  -3.871
  137   2HA   GLY  20          1HA       GLY  20   3.779   2.593  -3.673
  138    H    MET  21           H        MET  21   1.228   4.236  -3.465
  139    HA   MET  21           HA       MET  21   0.394   4.091  -0.744
  140   1HB   MET  21          2HB       MET  21  -1.263   4.248  -3.271
  141   2HB   MET  21          1HB       MET  21  -1.880   4.471  -1.642
  142   1HG   MET  21          2HG       MET  21  -1.604   6.620  -2.562
  143   2HG   MET  21          1HG       MET  21  -0.288   6.397  -1.410
  144   1HE   MET  21          1HE       MET  21  -0.849   6.814  -5.582
  145   2HE   MET  21          2HE       MET  21  -1.173   5.252  -4.830
  146   3HE   MET  21          3HE       MET  21   0.278   5.477  -5.808
  147    H    CYS  22           H        CYS  22  -0.540   2.461   0.365
  148    HA   CYS  22           HA       CYS  22  -1.121  -0.019  -1.113
  149   1HB   CYS  22          2HB       CYS  22  -0.532  -1.152   1.123
  150   2HB   CYS  22          1HB       CYS  22   0.790  -0.548   0.131
  151    H    CYS  23           H        CYS  23  -3.146  -0.695  -1.008
  152    HA   CYS  23           HA       CYS  23  -4.937   0.494   0.969
  153   1HB   CYS  23          2HB       CYS  23  -5.638  -1.220  -1.419
  154   2HB   CYS  23          1HB       CYS  23  -6.750  -0.269  -0.443
  155    H    LYS  24           H        LYS  24  -4.568  -2.754  -0.469
  156    HA   LYS  24           HA       LYS  24  -5.759  -3.960   1.859
  157   1HB   LYS  24          2HB       LYS  24  -5.302  -6.108   0.638
  158   2HB   LYS  24          1HB       LYS  24  -6.316  -4.961  -0.224
  159   1HG   LYS  24          2HG       LYS  24  -4.908  -5.710  -1.880
  160   2HG   LYS  24          1HG       LYS  24  -4.105  -4.231  -1.358
  161   1HD   LYS  24          2HD       LYS  24  -2.404  -5.856  -1.564
  162   2HD   LYS  24          1HD       LYS  24  -2.701  -5.688   0.166
  163   1HE   LYS  24          2HE       LYS  24  -3.867  -7.849  -1.586
  164   2HE   LYS  24          1HE       LYS  24  -2.444  -8.041  -0.566
  165   1HZ   LYS  24          1HZ       LYS  24  -4.141  -7.176   1.241
  166   2HZ   LYS  24          2HZ       LYS  24  -4.019  -8.814   0.843
  167   3HZ   LYS  24          3HZ       LYS  24  -5.261  -7.875   0.181
  168    H    THR  25           H        THR  25  -4.788  -5.118   3.451
  169    HA   THR  25           HA       THR  25  -2.077  -4.533   4.042
  170    HB   THR  25           HB       THR  25  -2.364  -6.053   5.972
  171    HG1  THR  25           1HG      THR  25  -4.673  -6.823   6.168
  172   1HG2  THR  25          1HG2      THR  25  -4.679  -4.170   5.501
  173   2HG2  THR  25          2HG2      THR  25  -3.103  -3.738   6.164
  174   3HG2  THR  25          3HG2      THR  25  -4.179  -4.803   7.070
  Start of MODEL   19
    1   1H    ASP   1          1HT       ASP   1  -4.910  -6.952  -0.126
    2   2H    ASP   1          2HT       ASP   1  -6.248  -6.021   0.325
    3   3H    ASP   1          3HT       ASP   1  -5.195  -5.460  -0.873
    4    HA   ASP   1           HA       ASP   1  -6.365  -6.435  -2.437
    5   1HB   ASP   1          2HB       ASP   1  -6.573  -8.931  -2.399
    6   2HB   ASP   1          1HB       ASP   1  -4.935  -8.347  -2.127
    7    H    THR   2           H        THR   2  -7.468  -7.356   0.789
    8    HA   THR   2           HA       THR   2 -10.247  -7.305  -0.189
    9    HB   THR   2           HB       THR   2  -9.149  -8.541   2.346
   10    HG1  THR   2           1HG      THR   2  -9.786  -9.536  -0.205
   11   1HG2  THR   2          1HG2      THR   2 -11.601  -9.612   2.055
   12   2HG2  THR   2          2HG2      THR   2 -11.893  -8.011   1.374
   13   3HG2  THR   2          3HG2      THR   2 -11.285  -8.171   3.022
   14    H    HIS   3           H        HIS   3  -8.198  -6.293   2.522
   15    HA   HIS   3           HA       HIS   3 -10.180  -4.585   3.669
   16   1HB   HIS   3          2HB       HIS   3  -7.193  -4.708   4.144
   17   2HB   HIS   3          1HB       HIS   3  -8.347  -3.827   5.140
   18    HD1  HIS   3           1HD      HIS   3 -10.419  -5.636   5.958
   19    HD2  HIS   3           2HD      HIS   3  -6.568  -7.053   5.302
   20    HE1  HIS   3           1HE      HIS   3 -10.271  -7.798   7.235
   21    HE2  HIS   3           2HE      HIS   3  -7.947  -8.662   6.786
   22    H    PHE   4           H        PHE   4 -10.627  -3.481   1.557
   23    HA   PHE   4           HA       PHE   4  -8.871  -1.832   0.207
   24   1HB   PHE   4          2HB       PHE   4 -11.830  -1.674   0.682
   25   2HB   PHE   4          1HB       PHE   4 -11.008  -0.394  -0.200
   26    HD1  PHE   4           1HD      PHE   4 -10.177  -4.009  -0.379
   27    HD2  PHE   4           2HD      PHE   4 -11.998  -0.675  -2.302
   28    HE1  PHE   4           1HE      PHE   4 -10.367  -5.312  -2.453
   29    HE2  PHE   4           2HE      PHE   4 -12.188  -1.975  -4.380
   30    HZ   PHE   4           HZ       PHE   4 -11.373  -4.297  -4.459
   31    HA   PRO   5           HA       PRO   5  -8.199   1.155   3.514
   32   1HB   PRO   5          2HB       PRO   5  -5.761   1.929   2.761
   33   2HB   PRO   5          1HB       PRO   5  -6.028   0.332   3.470
   34   1HG   PRO   5          2HG       PRO   5  -5.604   1.099   0.621
   35   2HG   PRO   5          1HG       PRO   5  -5.032  -0.331   1.497
   36   1HD   PRO   5          2HD       PRO   5  -7.271  -0.215  -0.178
   37   2HD   PRO   5          1HD       PRO   5  -6.911  -1.499   0.991
   38    H    ILE   6           H        ILE   6  -6.325   3.260   2.482
   39    HA   ILE   6           HA       ILE   6  -8.095   4.740   0.667
   40    HB   ILE   6           HB       ILE   6  -7.298   6.786   2.117
   41   1HG1  ILE   6          2HG1      ILE   6  -7.351   4.527   4.126
   42   2HG1  ILE   6          1HG1      ILE   6  -5.932   5.453   3.649
   43   1HG2  ILE   6          1HG2      ILE   6  -9.540   6.792   2.062
   44   2HG2  ILE   6          2HG2      ILE   6  -9.433   6.034   3.651
   45   3HG2  ILE   6          3HG2      ILE   6  -9.641   5.037   2.211
   46   1HD1  ILE   6          1HD1      ILE   6  -7.723   5.988   5.737
   47   2HD1  ILE   6          2HD1      ILE   6  -7.975   7.244   4.525
   48   3HD1  ILE   6          3HD1      ILE   6  -6.366   6.972   5.191
   49    H    CYS   7           H        CYS   7  -5.682   3.352   0.107
   50    HA   CYS   7           HA       CYS   7  -3.676   3.588  -0.914
   51   1HB   CYS   7          2HB       CYS   7  -5.068   6.144  -1.643
   52   2HB   CYS   7          1HB       CYS   7  -3.428   5.822  -2.198
   53    H    ILE   8           H        ILE   8  -3.903   4.412   1.907
   54    HA   ILE   8           HA       ILE   8  -2.502   6.651   2.637
   55    HB   ILE   8           HB       ILE   8  -1.637   5.343   4.583
   56   1HG1  ILE   8          2HG1      ILE   8  -3.099   3.048   3.255
   57   2HG1  ILE   8          1HG1      ILE   8  -1.347   3.200   3.363
   58   1HG2  ILE   8          1HG2      ILE   8  -3.829   4.916   5.559
   59   2HG2  ILE   8          2HG2      ILE   8  -4.560   4.967   3.956
   60   3HG2  ILE   8          3HG2      ILE   8  -3.826   6.419   4.636
   61   1HD1  ILE   8          1HD1      ILE   8  -3.294   2.328   5.363
   62   2HD1  ILE   8          2HD1      ILE   8  -2.063   3.437   5.970
   63   3HD1  ILE   8          3HD1      ILE   8  -1.585   1.931   5.186
   64    H    PHE   9           H        PHE   9  -0.406   7.299   2.720
   65    HA   PHE   9           HA       PHE   9   1.447   6.199   0.891
   66   1HB   PHE   9          2HB       PHE   9   1.361   8.594   1.572
   67   2HB   PHE   9          1HB       PHE   9   1.966   8.137   3.159
   68    HD1  PHE   9           1HD      PHE   9   2.889   7.563  -0.417
   69    HD2  PHE   9           2HD      PHE   9   4.187   8.518   3.522
   70    HE1  PHE   9           1HE      PHE   9   5.197   7.797  -1.236
   71    HE2  PHE   9           2HE      PHE   9   6.497   8.752   2.707
   72    HZ   PHE   9           HZ       PHE   9   7.006   8.387   0.324
   73    H    CYS  10           H        CYS  10   3.105   4.773   1.150
   74    HA   CYS  10           HA       CYS  10   4.164   4.150   3.747
   75   1HB   CYS  10          2HB       CYS  10   3.352   2.038   4.108
   76   2HB   CYS  10          1HB       CYS  10   1.958   2.745   3.302
   77    H    CYS  11           H        CYS  11   6.216   3.442   3.615
   78    HA   CYS  11           HA       CYS  11   7.433   3.367   1.010
   79   1HB   CYS  11          2HB       CYS  11   8.528   3.170   3.809
   80   2HB   CYS  11          1HB       CYS  11   9.547   2.971   2.388
   81    H    GLY  12           H        GLY  12   8.097   1.672  -0.130
   82   1HA   GLY  12          2HA       GLY  12   7.363  -0.986   0.705
   83   2HA   GLY  12          1HA       GLY  12   8.141  -0.542  -0.811
   84    H    CYS  13           H        CYS  13   8.720  -0.879   2.639
   85    HA   CYS  13           HA       CYS  13  11.525  -0.789   2.664
   86   1HB   CYS  13          2HB       CYS  13  11.360  -1.682   4.900
   87   2HB   CYS  13          1HB       CYS  13  10.020  -0.566   4.661
   88    H    CYS  14           H        CYS  14   9.334  -3.480   2.849
   89    HA   CYS  14           HA       CYS  14  11.565  -5.313   2.460
   90   1HB   CYS  14          2HB       CYS  14   8.914  -5.866   3.756
   91   2HB   CYS  14          1HB       CYS  14  10.463  -6.673   4.020
   92    H    HIS  15           H        HIS  15   8.140  -4.825   1.574
   93    HA   HIS  15           HA       HIS  15   8.044  -7.053  -0.199
   94   1HB   HIS  15          2HB       HIS  15   6.381  -4.513  -0.181
   95   2HB   HIS  15          1HB       HIS  15   6.009  -5.960  -1.111
   96    HD1  HIS  15           1HD      HIS  15   3.778  -5.325   0.565
   97    HD2  HIS  15           2HD      HIS  15   7.052  -7.323   2.165
   98    HE1  HIS  15           1HE      HIS  15   2.926  -6.456   2.643
   99    HE2  HIS  15           2HE      HIS  15   4.909  -7.713   3.558
  100    H    ARG  16           H        ARG  16   7.094  -4.280  -1.924
  101    HA   ARG  16           HA       ARG  16   9.269  -4.638  -3.782
  102   1HB   ARG  16          2HB       ARG  16   8.093  -2.466  -4.776
  103   2HB   ARG  16          1HB       ARG  16   7.418  -4.070  -5.010
  104   1HG   ARG  16          2HG       ARG  16   5.642  -2.603  -4.432
  105   2HG   ARG  16          1HG       ARG  16   5.933  -3.659  -3.053
  106   1HD   ARG  16          2HD       ARG  16   7.164  -1.896  -1.932
  107   2HD   ARG  16          1HD       ARG  16   6.976  -0.843  -3.332
  108    HE   ARG  16           HE       ARG  16   4.950  -0.254  -2.491
  109   1HH1  ARG  16          1HH1      ARG  16   5.712  -3.445  -1.310
  110   2HH1  ARG  16          2HH1      ARG  16   4.259  -3.585  -0.380
  111   1HH2  ARG  16          1HH2      ARG  16   3.036  -0.435  -1.267
  112   2HH2  ARG  16          2HH2      ARG  16   2.740  -1.877  -0.353
  113    H    SER  17           H        SER  17  11.136  -3.484  -3.824
  114    HA   SER  17           HA       SER  17  11.776  -1.801  -1.619
  115   1HB   SER  17          2HB       SER  17  13.458  -3.238  -2.681
  116   2HB   SER  17          1HB       SER  17  13.321  -2.308  -4.173
  117    HG   SER  17           HG       SER  17  15.099  -1.648  -2.870
  118    H    LYS  18           H        LYS  18   9.730  -0.454  -2.419
  119    HA   LYS  18           HA       LYS  18  10.851   2.015  -3.456
  120   1HB   LYS  18          2HB       LYS  18   9.060   2.298  -5.154
  121   2HB   LYS  18          1HB       LYS  18  10.172   0.987  -5.522
  122   1HG   LYS  18          2HG       LYS  18   8.553  -0.637  -4.723
  123   2HG   LYS  18          1HG       LYS  18   7.441   0.663  -4.298
  124   1HD   LYS  18          2HD       LYS  18   8.466   0.205  -7.095
  125   2HD   LYS  18          1HD       LYS  18   6.974  -0.507  -6.483
  126   1HE   LYS  18          2HE       LYS  18   6.432   1.487  -7.703
  127   2HE   LYS  18          1HE       LYS  18   6.144   1.779  -5.990
  128   1HZ   LYS  18          1HZ       LYS  18   7.819   3.276  -5.871
  129   2HZ   LYS  18          2HZ       LYS  18   7.467   3.468  -7.513
  130   3HZ   LYS  18          3HZ       LYS  18   8.771   2.501  -7.036
  131    H    CYS  19           H        CYS  19   9.964   3.782  -2.520
  132    HA   CYS  19           HA       CYS  19   7.691   3.332  -0.728
  133   1HB   CYS  19          2HB       CYS  19   9.780   4.420   0.151
  134   2HB   CYS  19          1HB       CYS  19   9.454   5.783  -0.916
  135    H    GLY  20           H        GLY  20   5.711   4.173  -1.102
  136   1HA   GLY  20          2HA       GLY  20   5.194   6.557  -2.506
  137   2HA   GLY  20          1HA       GLY  20   5.030   5.212  -3.622
  138    H    MET  21           H        MET  21   2.789   5.884  -3.805
  139    HA   MET  21           HA       MET  21   1.029   5.779  -1.573
  140   1HB   MET  21          2HB       MET  21   0.442   5.553  -4.532
  141   2HB   MET  21          1HB       MET  21  -0.771   5.774  -3.278
  142   1HG   MET  21          2HG       MET  21   0.240   7.922  -2.687
  143   2HG   MET  21          1HG       MET  21   1.439   7.700  -3.959
  144   1HE   MET  21          1HE       MET  21  -2.825   8.688  -3.871
  145   2HE   MET  21          2HE       MET  21  -2.137   7.176  -3.276
  146   3HE   MET  21          3HE       MET  21  -2.862   7.243  -4.882
  147    H    CYS  22           H        CYS  22   0.010   4.091  -0.652
  148    HA   CYS  22           HA       CYS  22   0.308   1.469  -1.966
  149   1HB   CYS  22          2HB       CYS  22   0.118   1.986   1.005
  150   2HB   CYS  22          1HB       CYS  22   0.525   0.468   0.208
  151    H    CYS  23           H        CYS  23  -1.553   0.685  -2.681
  152    HA   CYS  23           HA       CYS  23  -3.996   1.183  -1.134
  153   1HB   CYS  23          2HB       CYS  23  -4.076   0.820  -4.111
  154   2HB   CYS  23          1HB       CYS  23  -5.254   1.589  -3.054
  155    H    LYS  24           H        LYS  24  -4.420  -0.694  -0.227
  156    HA   LYS  24           HA       LYS  24  -3.700  -3.220  -1.350
  157   1HB   LYS  24          2HB       LYS  24  -5.428  -2.506   1.023
  158   2HB   LYS  24          1HB       LYS  24  -4.979  -4.150   0.591
  159   1HG   LYS  24          2HG       LYS  24  -2.646  -3.649   0.946
  160   2HG   LYS  24          1HG       LYS  24  -3.029  -1.957   1.266
  161   1HD   LYS  24          2HD       LYS  24  -2.663  -3.154   3.351
  162   2HD   LYS  24          1HD       LYS  24  -4.346  -2.641   3.225
  163   1HE   LYS  24          2HE       LYS  24  -4.199  -4.918   4.073
  164   2HE   LYS  24          1HE       LYS  24  -4.976  -4.889   2.491
  165   1HZ   LYS  24          1HZ       LYS  24  -2.449  -5.270   1.778
  166   2HZ   LYS  24          2HZ       LYS  24  -3.518  -6.541   2.097
  167   3HZ   LYS  24          3HZ       LYS  24  -2.427  -6.036   3.287
  168    H    THR  25           H        THR  25  -5.285  -1.892  -3.210
  169    HA   THR  25           HA       THR  25  -8.018  -2.626  -3.092
  170    HB   THR  25           HB       THR  25  -8.082  -2.088  -5.493
  171    HG1  THR  25           1HG      THR  25  -5.258  -2.007  -5.170
  172   1HG2  THR  25          1HG2      THR  25  -8.328  -0.195  -4.121
  173   2HG2  THR  25          2HG2      THR  25  -7.089   0.265  -5.289
  174   3HG2  THR  25          3HG2      THR  25  -6.627  -0.206  -3.654
  Start of MODEL   20
    1   1H    ASP   1          1HT       ASP   1  -3.582  -8.643  -2.515
    2   2H    ASP   1          2HT       ASP   1  -4.918  -9.021  -3.480
    3   3H    ASP   1          3HT       ASP   1  -4.397 -10.109  -2.296
    4    HA   ASP   1           HA       ASP   1  -6.217  -9.136  -1.302
    5   1HB   ASP   1          2HB       ASP   1  -4.214  -9.094   0.119
    6   2HB   ASP   1          1HB       ASP   1  -3.799  -7.499  -0.502
    7    H    THR   2           H        THR   2  -7.790  -7.607  -1.315
    8    HA   THR   2           HA       THR   2  -7.223  -5.028  -2.580
    9    HB   THR   2           HB       THR   2  -9.303  -5.120  -3.873
   10    HG1  THR   2           1HG      THR   2  -9.471  -7.834  -3.009
   11   1HG2  THR   2          1HG2      THR   2  -8.030  -7.673  -4.669
   12   2HG2  THR   2          2HG2      THR   2  -6.977  -6.262  -4.568
   13   3HG2  THR   2          3HG2      THR   2  -8.386  -6.236  -5.628
   14    H    HIS   3           H        HIS   3  -7.268  -5.138  -0.005
   15    HA   HIS   3           HA       HIS   3  -9.934  -4.657   1.049
   16   1HB   HIS   3          2HB       HIS   3  -8.280  -5.931   2.381
   17   2HB   HIS   3          1HB       HIS   3  -7.242  -4.509   2.428
   18    HD1  HIS   3           1HD      HIS   3 -10.884  -5.212   3.322
   19    HD2  HIS   3           2HD      HIS   3  -7.541  -3.219   4.777
   20    HE1  HIS   3           1HE      HIS   3 -11.604  -4.199   5.509
   21    HE2  HIS   3           2HE      HIS   3  -9.556  -3.025   6.388
   22    H    PHE   4           H        PHE   4 -10.248  -2.785  -0.398
   23    HA   PHE   4           HA       PHE   4  -8.798  -0.492  -0.528
   24   1HB   PHE   4          2HB       PHE   4 -11.142   0.670  -0.654
   25   2HB   PHE   4          1HB       PHE   4 -10.649  -0.469  -1.899
   26    HD1  PHE   4           1HD      PHE   4 -12.064  -2.180  -2.484
   27    HD2  PHE   4           2HD      PHE   4 -12.525  -0.348   1.329
   28    HE1  PHE   4           1HE      PHE   4 -14.105  -3.499  -2.101
   29    HE2  PHE   4           2HE      PHE   4 -14.564  -1.667   1.720
   30    HZ   PHE   4           HZ       PHE   4 -15.356  -3.246   0.005
   31    HA   PRO   5           HA       PRO   5  -9.077   0.862   3.763
   32   1HB   PRO   5          2HB       PRO   5  -6.549   1.680   3.974
   33   2HB   PRO   5          1HB       PRO   5  -6.942  -0.042   3.914
   34   1HG   PRO   5          2HG       PRO   5  -5.716   1.688   1.851
   35   2HG   PRO   5          1HG       PRO   5  -5.559  -0.058   2.094
   36   1HD   PRO   5          2HD       PRO   5  -7.282   1.329   0.263
   37   2HD   PRO   5          1HD       PRO   5  -7.129  -0.422   0.509
   38    H    ILE   6           H        ILE   6  -7.347   3.026   4.422
   39    HA   ILE   6           HA       ILE   6  -8.941   5.246   3.593
   40    HB   ILE   6           HB       ILE   6  -7.109   6.569   4.826
   41   1HG1  ILE   6          2HG1      ILE   6  -6.346   3.740   5.578
   42   2HG1  ILE   6          1HG1      ILE   6  -5.340   4.909   4.730
   43   1HG2  ILE   6          1HG2      ILE   6  -8.614   6.517   6.458
   44   2HG2  ILE   6          2HG2      ILE   6  -8.111   4.890   6.918
   45   3HG2  ILE   6          3HG2      ILE   6  -9.356   5.114   5.689
   46   1HD1  ILE   6          1HD1      ILE   6  -5.624   6.352   6.843
   47   2HD1  ILE   6          2HD1      ILE   6  -4.530   4.968   6.894
   48   3HD1  ILE   6          3HD1      ILE   6  -6.139   4.848   7.608
   49    H    CYS   7           H        CYS   7  -6.316   3.621   2.309
   50    HA   CYS   7           HA       CYS   7  -5.057   3.897   0.455
   51   1HB   CYS   7          2HB       CYS   7  -7.259   4.827  -0.422
   52   2HB   CYS   7          1HB       CYS   7  -6.592   6.428  -0.118
   53    H    ILE   8           H        ILE   8  -4.022   4.835   2.862
   54    HA   ILE   8           HA       ILE   8  -2.830   7.432   2.421
   55    HB   ILE   8           HB       ILE   8  -1.547   6.929   4.508
   56   1HG1  ILE   8          2HG1      ILE   8  -3.284   4.449   4.549
   57   2HG1  ILE   8          1HG1      ILE   8  -1.545   4.468   4.277
   58   1HG2  ILE   8          1HG2      ILE   8  -3.562   8.194   4.662
   59   2HG2  ILE   8          2HG2      ILE   8  -3.556   7.031   5.988
   60   3HG2  ILE   8          3HG2      ILE   8  -4.551   6.737   4.561
   61   1HD1  ILE   8          1HD1      ILE   8  -3.001   4.440   6.740
   62   2HD1  ILE   8          2HD1      ILE   8  -1.948   5.852   6.671
   63   3HD1  ILE   8          3HD1      ILE   8  -1.273   4.236   6.457
   64    H    PHE   9           H        PHE   9  -0.764   7.888   1.853
   65    HA   PHE   9           HA       PHE   9   0.645   6.124   0.187
   66   1HB   PHE   9          2HB       PHE   9   0.791   8.586   0.063
   67   2HB   PHE   9          1HB       PHE   9   1.650   8.606   1.598
   68    HD1  PHE   9           1HD      PHE   9   3.811   9.252   1.245
   69    HD2  PHE   9           2HD      PHE   9   2.020   6.511  -1.472
   70    HE1  PHE   9           1HE      PHE   9   5.948   9.053   0.042
   71    HE2  PHE   9           2HE      PHE   9   4.154   6.304  -2.678
   72    HZ   PHE   9           HZ       PHE   9   6.121   7.579  -1.919
   73    H    CYS  10           H        CYS  10   2.510   4.906   0.463
   74    HA   CYS  10           HA       CYS  10   3.847   4.812   3.029
   75   1HB   CYS  10          2HB       CYS  10   3.364   2.454   3.468
   76   2HB   CYS  10          1HB       CYS  10   1.874   3.389   3.427
   77    H    CYS  11           H        CYS  11   5.942   4.730   2.456
   78    HA   CYS  11           HA       CYS  11   6.724   3.539  -0.066
   79   1HB   CYS  11          2HB       CYS  11   8.278   4.979   2.082
   80   2HB   CYS  11          1HB       CYS  11   9.049   4.253   0.678
   81    H    GLY  12           H        GLY  12   7.348   1.496  -0.322
   82   1HA   GLY  12          2HA       GLY  12   7.507  -0.328   1.848
   83   2HA   GLY  12          1HA       GLY  12   7.983  -0.660   0.187
   84    H    CYS  13           H        CYS  13   9.028  -0.342   3.283
   85    HA   CYS  13           HA       CYS  13  11.505   0.935   3.178
   86   1HB   CYS  13          2HB       CYS  13  11.946  -0.086   5.296
   87   2HB   CYS  13          1HB       CYS  13  10.223   0.270   5.236
   88    H    CYS  14           H        CYS  14  10.782  -2.494   3.061
   89    HA   CYS  14           HA       CYS  14  13.597  -2.984   2.463
   90   1HB   CYS  14          2HB       CYS  14  11.617  -4.807   3.792
   91   2HB   CYS  14          1HB       CYS  14  13.382  -4.842   3.895
   92    H    HIS  15           H        HIS  15  11.721  -5.792   2.361
   93    HA   HIS  15           HA       HIS  15  12.518  -6.611  -0.120
   94   1HB   HIS  15          2HB       HIS  15   9.882  -7.265   1.221
   95   2HB   HIS  15          1HB       HIS  15  10.597  -8.176  -0.104
   96    HD1  HIS  15           1HD      HIS  15  13.274  -8.899   0.622
   97    HD2  HIS  15           2HD      HIS  15  10.366  -8.499   3.563
   98    HE1  HIS  15           1HE      HIS  15  14.125 -10.210   2.592
   99    HE2  HIS  15           2HE      HIS  15  12.385  -9.891   4.386
  100    H    ARG  16           H        ARG  16   9.589  -4.839   0.703
  101    HA   ARG  16           HA       ARG  16   8.914  -4.499  -2.110
  102   1HB   ARG  16          2HB       ARG  16   7.166  -5.009  -0.391
  103   2HB   ARG  16          1HB       ARG  16   7.508  -3.458   0.360
  104   1HG   ARG  16          2HG       ARG  16   6.853  -2.352  -1.766
  105   2HG   ARG  16          1HG       ARG  16   6.371  -3.933  -2.384
  106   1HD   ARG  16          2HD       ARG  16   4.803  -4.164  -0.502
  107   2HD   ARG  16          1HD       ARG  16   5.259  -2.555   0.055
  108    HE   ARG  16           HE       ARG  16   3.788  -1.711  -1.459
  109   1HH1  ARG  16          1HH1      ARG  16   4.795  -4.858  -2.577
  110   2HH1  ARG  16          2HH1      ARG  16   3.773  -4.828  -3.975
  111   1HH2  ARG  16          1HH2      ARG  16   2.442  -1.669  -3.297
  112   2HH2  ARG  16          2HH2      ARG  16   2.435  -3.018  -4.383
  113    H    SER  17           H        SER  17  11.329  -3.368  -1.551
  114    HA   SER  17           HA       SER  17  11.409  -0.739  -0.633
  115   1HB   SER  17          2HB       SER  17  13.544  -0.568  -1.868
  116   2HB   SER  17          1HB       SER  17  13.428  -2.071  -0.953
  117    HG   SER  17           HG       SER  17  12.412  -2.438  -3.403
  118    H    LYS  18           H        LYS  18   9.280  -0.213  -1.703
  119    HA   LYS  18           HA       LYS  18   9.834   1.488  -3.987
  120   1HB   LYS  18          2HB       LYS  18   7.896   0.627  -5.288
  121   2HB   LYS  18          1HB       LYS  18   9.214  -0.529  -5.141
  122   1HG   LYS  18          2HG       LYS  18   7.991  -1.669  -3.340
  123   2HG   LYS  18          1HG       LYS  18   6.659  -0.532  -3.546
  124   1HD   LYS  18          2HD       LYS  18   7.701  -2.372  -5.698
  125   2HD   LYS  18          1HD       LYS  18   6.288  -2.699  -4.693
  126   1HE   LYS  18          2HE       LYS  18   5.217  -0.670  -5.556
  127   2HE   LYS  18          1HE       LYS  18   6.627  -0.358  -6.567
  128   1HZ   LYS  18          1HZ       LYS  18   5.851  -2.946  -7.123
  129   2HZ   LYS  18          2HZ       LYS  18   5.656  -1.589  -8.114
  130   3HZ   LYS  18          3HZ       LYS  18   4.413  -2.055  -7.066
  131    H    CYS  19           H        CYS  19   8.774   3.383  -3.810
  132    HA   CYS  19           HA       CYS  19   6.989   3.795  -1.609
  133   1HB   CYS  19          2HB       CYS  19   8.011   5.565  -3.814
  134   2HB   CYS  19          1HB       CYS  19   6.759   6.117  -2.709
  135    H    GLY  20           H        GLY  20   4.814   3.887  -1.578
  136   1HA   GLY  20          2HA       GLY  20   3.135   4.460  -3.751
  137   2HA   GLY  20          1HA       GLY  20   3.313   2.713  -3.652
  138    H    MET  21           H        MET  21   1.019   4.643  -3.121
  139    HA   MET  21           HA       MET  21   0.458   4.640  -0.367
  140   1HB   MET  21          2HB       MET  21  -1.460   4.675  -2.703
  141   2HB   MET  21          1HB       MET  21  -1.889   5.047  -1.041
  142   1HG   MET  21          2HG       MET  21  -1.632   7.111  -2.130
  143   2HG   MET  21          1HG       MET  21  -0.192   6.903  -1.138
  144   1HE   MET  21          1HE       MET  21  -0.202   5.857  -5.595
  145   2HE   MET  21          2HE       MET  21  -1.435   7.002  -5.065
  146   3HE   MET  21          3HE       MET  21  -1.383   5.380  -4.376
  147    H    CYS  22           H        CYS  22  -0.449   3.184   0.987
  148    HA   CYS  22           HA       CYS  22  -0.547   0.433   0.186
  149   1HB   CYS  22          2HB       CYS  22  -1.067   1.882   2.770
  150   2HB   CYS  22          1HB       CYS  22  -1.445   0.174   2.607
  151    H    CYS  23           H        CYS  23  -2.433   1.844  -1.323
  152    HA   CYS  23           HA       CYS  23  -5.041   1.424  -0.140
  153   1HB   CYS  23          2HB       CYS  23  -4.599   2.090  -3.032
  154   2HB   CYS  23          1HB       CYS  23  -5.927   2.554  -1.973
  155    H    LYS  24           H        LYS  24  -4.561  -0.951   0.135
  156    HA   LYS  24           HA       LYS  24  -4.208  -2.770  -1.908
  157   1HB   LYS  24          2HB       LYS  24  -5.916  -3.058   0.570
  158   2HB   LYS  24          1HB       LYS  24  -5.423  -4.393  -0.463
  159   1HG   LYS  24          2HG       LYS  24  -3.542  -2.584   1.040
  160   2HG   LYS  24          1HG       LYS  24  -4.046  -4.193   1.560
  161   1HD   LYS  24          2HD       LYS  24  -3.074  -5.136  -0.498
  162   2HD   LYS  24          1HD       LYS  24  -2.530  -3.523  -0.964
  163   1HE   LYS  24          2HE       LYS  24  -1.142  -3.409   1.044
  164   2HE   LYS  24          1HE       LYS  24  -1.699  -5.010   1.526
  165   1HZ   LYS  24          1HZ       LYS  24  -0.767  -5.772  -0.693
  166   2HZ   LYS  24          2HZ       LYS  24   0.353  -5.365   0.508
  167   3HZ   LYS  24          3HZ       LYS  24   0.036  -4.284  -0.754
  168    H    THR  25           H        THR  25  -5.261  -2.766  -3.779
  169    HA   THR  25           HA       THR  25  -8.051  -3.377  -3.893
  170    HB   THR  25           HB       THR  25  -7.180  -0.670  -4.937
  171    HG1  THR  25           1HG      THR  25  -9.123  -1.322  -2.955
  172   1HG2  THR  25          1HG2      THR  25  -9.994  -1.026  -5.020
  173   2HG2  THR  25          2HG2      THR  25  -9.254  -2.416  -5.815
  174   3HG2  THR  25          3HG2      THR  25  -8.882  -0.783  -6.367