*HEADER    STRUCTURAL PROTEIN                      18-FEB-05   1YWI              
*TITLE     STRUCTURE OF THE FBP11WW1 DOMAIN COMPLEXED TO THE PEPTIDE             
*TITLE    2 APPTPPPLPP                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FORMIN-BINDING PROTEIN 3;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW1 DOMAIN;                                                
*COMPND   5 SYNONYM: FORMIN BINDING PROTEIN 11;                                  
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: FORMIN;                                                    
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2TK;                                 
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 SYNTHETIC: YES;                                                      
*SOURCE  11 OTHER_DETAILS: AUTOMATED SOLID PHASE SYNTHESIS ON                    
*SOURCE  12 CHLORTRITYL RESIN USING FMOC STRATEGY                                
*KEYWDS    WW DOMAIN, CLASS II, PROLINE-RICH PEPTIDES, PROTEIN-PROTEIN           
*KEYWDS   2 INTERACTIONS                                                         
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    J.R.PIRES, C.PARTHIER, R.AIDO-MACHADO, U.WIEDEMANN, L.OTTE,           
*AUTHOR   2 G.BOEHM, R.RUDOLPH, H.OSCHKINAT                                      
*REVDAT   1   12-APR-05 1YWI    0                                                

!WW domain residues 4 - 44
!Ligand residues 101-110 (APPTPPPLPP)

! Unambiguous Distance Restrints

 ASSI {    1}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HE1 ))
      1.100     1.100     4.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.31333E+00 ppm1      7.360 ppm2     10.023 CV     1
 ASSI {    4}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HE22))
      1.900     1.900     4.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.48044E-01 ppm1      2.361 ppm2      7.021 CV     1
 OR {    4}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {    7}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      3.889 ppm2      8.419 CV     1
 ASSI {   16}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     2.800     3.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.39828E-02 ppm1      1.592 ppm2      8.874 CV     1
 ASSI {   26}
   (( segid "    " and resid 107   and name HA  ))
   (( segid "    " and resid 108   and name HN  ))
      2.200     0.600     0.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.30776E-02 ppm1      4.389 ppm2      8.181 CV     1
 ASSI {   27}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      2.200     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.30498E-02 ppm1      6.597 ppm2      6.994 CV     1
 ASSI {   29}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     2.200     3.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.36347E-02 ppm1      4.969 ppm2      8.875 CV     1
 ASSI {   30}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.100     0.500     0.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.29940E-02 ppm1      4.856 ppm2      8.692 CV     1
 ASSI {   31}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 28   and name HD% )
      2.000     0.500     0.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.31194E-02 ppm1      6.273 ppm2      6.824 CV     1
 ASSI {   32}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     2.700     3.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.26181E-02 ppm1      2.740 ppm2      7.830 CV     1
 ASSI {   33}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.300     2.300     3.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      2.699 ppm2      6.992 CV     1
 ASSI {   41}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.29802E-02 ppm1      4.531 ppm2      8.873 CV     1
 ASSI {   45}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      1.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.29384E-02 ppm1      5.242 ppm2      9.637 CV     1
 ASSI {   53}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 39   and name HH2 ))
      2.000     0.500     0.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.32308E-02 ppm1      6.922 ppm2      7.089 CV     1
 ASSI {   58}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.15179E-02 ppm1      4.468 ppm2      8.412 CV     1
 ASSI {   61}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 29   and name HE% )
      2.400     2.400     3.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.11391E-01 ppm1      2.895 ppm2      6.713 CV     1
 ASSI {   64}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.000     0.500     0.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      5.728 ppm2      8.191 CV     1
 ASSI {   65}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 39   and name HE3 ))
      2.100     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.27434E-02 ppm1      6.921 ppm2      8.123 CV     1
 ASSI {   66}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 28   and name HD% )
      1.800     1.800     4.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.36347E-01 ppm1      2.633 ppm2      6.826 CV     1
 ASSI {   67}
   (( segid "    " and resid 108   and name HG  ))
   (( segid "    " and resid 108   and name HN  ))
      2.900     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.86061E-03 ppm1      1.531 ppm2      8.181 CV     1
 OR {   67}
   (( segid "    " and resid 108   and name HB2 ))
   (( segid "    " and resid 108   and name HN  ))
 ASSI {   68}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.600     1.600     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      2.694 ppm2      6.106 CV     1
 ASSI {   69}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HE3 ))
      3.300     1.400     1.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19357E-02 ppm1      1.185 ppm2      7.382 CV     1
 ASSI {   70}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HE1 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.16711E-02 ppm1      7.347 ppm2     10.404 CV     1
 ASSI {   73}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
      3.500     3.500     2.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.18243E-02 ppm1      2.698 ppm2      6.696 CV     1
 ASSI {   75}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.11809E-02 ppm1      4.447 ppm2      8.330 CV     1
 ASSI {   79}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.18521E-02 ppm1      6.124 ppm2      9.440 CV     1
 ASSI {   81}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      3.179 ppm2      7.362 CV     1
 OR {   81}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {   84}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      2.716 ppm2      6.848 CV     1
 ASSI {   87}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.20053E-02 ppm1      0.925 ppm2      8.875 CV     1
 ASSI {   88}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10152E-02 ppm1      4.544 ppm2      8.255 CV     1
 ASSI {   91}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      4.268 ppm2      8.695 CV     1
 ASSI {   94}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.66564E-03 ppm1      1.322 ppm2      8.263 CV     1
 ASSI {   96}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 28   and name HE% )
      2.900     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      1.165 ppm2      6.273 CV     1
 ASSI {   99}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      1.995 ppm2      7.823 CV     1
 ASSI {  100}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      4.533 ppm2      7.827 CV     1
 ASSI {  106}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.500     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.20610E-03 ppm1      3.916 ppm2      8.244 CV     1
 ASSI {  118}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HH2 ))
      3.000     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.11447E-02 ppm1      1.185 ppm2      7.013 CV     1
 ASSI {  120}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
      2.400     2.400     3.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.19775E-02 ppm1      1.838 ppm2      6.708 CV     1
 ASSI {  121}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 28   and name HE% )
      2.300     2.300     3.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15875E-02 ppm1      4.966 ppm2      6.273 CV     1
 ASSI {  123}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      2.900 ppm2      7.382 CV     1
 ASSI {  124}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.54727E-03 ppm1      1.989 ppm2      6.921 CV     1
 ASSI {  125}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.000     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12868E-02 ppm1      2.713 ppm2      7.381 CV     1
 ASSI {  127}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      1.985 ppm2      8.873 CV     1
 ASSI {  128}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 29   and name HE% )
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.71718E-03 ppm1      4.464 ppm2      6.696 CV     1
 ASSI {  130}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.91492E-03 ppm1      8.209 ppm2      8.673 CV     1
 ASSI {  132}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10458E-02 ppm1      1.185 ppm2      9.441 CV     1
 ASSI {  133}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.73248E-03 ppm1      1.746 ppm2      7.023 CV     1
 OR {  133}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HE22))
 ASSI {  134}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.12784E-02 ppm1      4.179 ppm2      8.491 CV     1
 ASSI {  136}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 29   and name HE% )
      3.000     3.000     3.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      2.051 ppm2      6.713 CV     1
 ASSI {  137}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HE21))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.71020E-03 ppm1      2.319 ppm2      7.592 CV     1
 ASSI {  139}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      4.853 ppm2      9.437 CV     1
 ASSI {  143}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      3.400     3.400     2.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.91492E-03 ppm1      0.987 ppm2      7.765 CV     1
 ASSI {  146}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.58213E-03 ppm1      4.472 ppm2      8.579 CV     1
 ASSI {  148}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.11725E-02 ppm1      4.193 ppm2      9.638 CV     1
 ASSI {  149}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak   149 spectrum    1 weight  0.10000E+01 volume  0.56818E-03 ppm1      4.613 ppm2      8.332 CV     1
 ASSI {  151}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      5.397 ppm2      6.850 CV     1
 ASSI {  152}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.96787E-03 ppm1      5.226 ppm2      7.382 CV     1
 OR {  152}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  163}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak   163 spectrum    1 weight  0.10000E+01 volume  0.13884E-02 ppm1      3.689 ppm2      8.673 CV     1
 ASSI {  164}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 6    and name HE  ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      1.994 ppm2      7.208 CV     1
 ASSI {  165}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   165 spectrum    1 weight  0.10000E+01 volume  0.83136E-03 ppm1      4.673 ppm2      7.913 CV     1
 ASSI {  166}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.47487E-03 ppm1      4.557 ppm2      8.697 CV     1
 ASSI {  170}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   170 spectrum    1 weight  0.10000E+01 volume  0.49158E-03 ppm1      7.914 ppm2      8.333 CV     1
 ASSI {  173}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak   173 spectrum    1 weight  0.10000E+01 volume  0.81883E-03 ppm1      2.960 ppm2      7.916 CV     1
 ASSI {  174}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.89820E-03 ppm1      7.764 ppm2      7.939 CV     1
 ASSI {  180}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.93584E-03 ppm1      2.901 ppm2      9.466 CV     1
 ASSI {  181}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      2.200     2.200     3.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.13550E-02 ppm1      4.193 ppm2      6.823 CV     1
 ASSI {  182}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name HH2 ))
      2.100     0.600     0.600 peak   182 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      4.193 ppm2      7.088 CV     1
 ASSI {  183}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.89684E-03 ppm1      1.164 ppm2      8.579 CV     1
 ASSI {  190}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.41639E-03 ppm1      2.715 ppm2      9.014 CV     1
 ASSI {  193}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.42613E-03 ppm1      4.674 ppm2      8.333 CV     1
 ASSI {  194}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     6.000     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.89406E-06 ppm1      7.333 ppm2      8.342 CV     1
 ASSI {  196}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.95251E-03 ppm1      4.273 ppm2      9.436 CV     1
 ASSI {  205}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 6    and name HE  ))
      2.600     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.43727E-03 ppm1      1.583 ppm2      7.208 CV     1
 ASSI {  206}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.46373E-03 ppm1      3.682 ppm2      6.123 CV     1
 OR {  206}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  207}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.73809E-03 ppm1      2.655 ppm2      8.579 CV     1
 ASSI {  208}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name HZ3 ))
      2.200     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.11391E-02 ppm1      4.193 ppm2      6.922 CV     1
 ASSI {  212}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.72556E-03 ppm1      5.132 ppm2      8.672 CV     1
 ASSI {  216}
   (( segid "    " and resid 107   and name HB1 ))
   (( segid "    " and resid 108   and name HN  ))
      4.500     2.600     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.30219E-03 ppm1      2.230 ppm2      8.180 CV     1
 ASSI {  217}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.62947E-03 ppm1      2.073 ppm2      7.763 CV     1
 ASSI {  218}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.54868E-03 ppm1      0.053 ppm2      8.189 CV     1
 ASSI {  219}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.65175E-03 ppm1      2.964 ppm2      8.242 CV     1
 ASSI {  222}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.82580E-03 ppm1      0.925 ppm2      8.579 CV     1
 ASSI {  224}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.63361E-03 ppm1      5.236 ppm2      8.323 CV     1
 ASSI {  225}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 39   and name HH2 ))
      3.800     1.800     1.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.41499E-03 ppm1      2.007 ppm2      7.087 CV     1
 ASSI {  226}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.800     1.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.76452E-03 ppm1      5.243 ppm2      8.875 CV     1
 ASSI {  227}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.400     1.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.36347E-03 ppm1      1.585 ppm2      7.823 CV     1
 ASSI {  228}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      2.300     2.300     3.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.77427E-03 ppm1      6.823 ppm2      9.638 CV     1
 ASSI {  233}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HE% )
      3.800     1.800     1.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.88011E-03 ppm1      5.395 ppm2      6.698 CV     1
 ASSI {  234}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.74501E-03 ppm1      2.900 ppm2      9.013 CV     1
 ASSI {  235}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      3.076 ppm2      9.431 CV     1
 ASSI {  240}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.95671E-03 ppm1      7.399 ppm2      8.673 CV     1
 ASSI {  241}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 39   and name HH2 ))
      2.900     1.100     1.100 peak   241 spectrum    1 weight  0.10000E+01 volume  0.70045E-03 ppm1      4.617 ppm2      7.088 CV     1
 ASSI {  244}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak   244 spectrum    1 weight  0.10000E+01 volume  0.65589E-03 ppm1      5.399 ppm2      9.015 CV     1
 ASSI {  245}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 28   and name HD% )
      6.000     6.000     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.10040E-04 ppm1      4.616 ppm2      6.824 CV     1
 ASSI {  246}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.700     2.800     1.300 peak   246 spectrum    1 weight  0.10000E+01 volume  0.27852E-03 ppm1      2.298 ppm2      7.395 CV     1
 ASSI {  247}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.39132E-03 ppm1      5.398 ppm2      8.581 CV     1
 ASSI {  248}
   (( segid "    " and resid 35   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.68237E-03 ppm1      1.218 ppm2      6.597 CV     1
 ASSI {  251}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.35651E-03 ppm1      3.880 ppm2      8.332 CV     1
 ASSI {  254}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.29662E-03 ppm1      4.110 ppm2      7.765 CV     1
 ASSI {  255}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      3.600     3.600     2.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.80771E-03 ppm1      0.987 ppm2      7.941 CV     1
 ASSI {  257}
   (( segid "    " and resid 110   and name HD2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     2.900     3.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.30219E-03 ppm1      3.612 ppm2      8.506 CV     1
 ASSI {  259}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.49716E-03 ppm1      5.242 ppm2      6.825 CV     1
 ASSI {  260}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 39   and name HE1 ))
      3.100     1.200     1.200 peak   260 spectrum    1 weight  0.10000E+01 volume  0.66842E-03 ppm1      1.789 ppm2     10.022 CV     1
 ASSI {  261}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.65872E-03 ppm1      6.126 ppm2      8.506 CV     1
 ASSI {  264}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      5.600     3.900     0.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.46652E-04 ppm1      4.970 ppm2      8.338 CV     1
 ASSI {  265}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 29   and name HD% )
      4.500     2.500     1.500 peak   265 spectrum    1 weight  0.10000E+01 volume  0.18521E-03 ppm1      2.051 ppm2      6.849 CV     1
 ASSI {  267}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HE21))
      4.700     2.800     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.45120E-03 ppm1      2.042 ppm2      7.625 CV     1
 ASSI {  269}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.21864E-03 ppm1      4.179 ppm2      8.201 CV     1
 ASSI {  271}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.45538E-03 ppm1      4.619 ppm2      9.638 CV     1
 ASSI {  278}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.77012E-03 ppm1      2.698 ppm2      6.592 CV     1
 ASSI {  279}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak   279 spectrum    1 weight  0.10000E+01 volume  0.74223E-03 ppm1      4.113 ppm2      7.941 CV     1
 ASSI {  280}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.73248E-03 ppm1      1.184 ppm2      9.015 CV     1
 ASSI {  281}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.33979E-03 ppm1      7.821 ppm2      9.637 CV     1
 ASSI {  284}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.63083E-03 ppm1      1.403 ppm2      9.635 CV     1
 ASSI {  287}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.77705E-03 ppm1      5.131 ppm2      8.212 CV     1
 ASSI {  289}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   289 spectrum    1 weight  0.10000E+01 volume  0.43867E-03 ppm1      8.154 ppm2      8.329 CV     1
 ASSI {  291}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.71303E-03 ppm1      5.132 ppm2      9.015 CV     1
 ASSI {  293}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   293 spectrum    1 weight  0.10000E+01 volume  0.45259E-03 ppm1      2.294 ppm2      7.763 CV     1
 ASSI {  294}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.38575E-03 ppm1      6.125 ppm2      8.192 CV     1
 ASSI {  297}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 39   and name HZ2 ))
      5.200     3.400     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.10751E-03 ppm1      3.635 ppm2      7.360 CV     1
 ASSI {  301}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.24092E-03 ppm1      6.271 ppm2      6.991 CV     1
 ASSI {  302}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
      5.200     3.400     0.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.23396E-03 ppm1      3.656 ppm2      7.822 CV     1
 ASSI {  303}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.700     2.800     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.21446E-03 ppm1      6.102 ppm2      7.359 CV     1
 ASSI {  314}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.500     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.12352E-03 ppm1      2.950 ppm2      8.331 CV     1
 ASSI {  318}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.36207E-03 ppm1      4.967 ppm2      8.580 CV     1
 ASSI {  319}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.18243E-03 ppm1      3.683 ppm2      9.442 CV     1
 OR {  319}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  320}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13452E-03 ppm1      4.369 ppm2      8.529 CV     1
 ASSI {  321}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      5.100     3.200     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.18243E-03 ppm1      5.395 ppm2      7.383 CV     1
 ASSI {  322}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.35511E-03 ppm1      1.186 ppm2      8.675 CV     1
 ASSI {  325}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.87592E-03 ppm1      2.303 ppm2      7.940 CV     1
 ASSI {  328}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      4.500     2.500     1.500 peak   328 spectrum    1 weight  0.10000E+01 volume  0.25763E-03 ppm1      2.301 ppm2      8.327 CV     1
 ASSI {  332}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      5.500     3.800     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.17547E-03 ppm1      1.600 ppm2      8.335 CV     1
 ASSI {  333}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 36   and name HE21))
      3.700     1.700     1.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.58491E-03 ppm1      0.992 ppm2      7.627 CV     1
 ASSI {  338}
   (  segid "    " and resid 108   and name HD2%)
   (( segid "    " and resid 39   and name HH2 ))
      4.300     2.300     1.700 peak   338 spectrum    1 weight  0.11000E+01 volume  0.30637E-03 ppm1      0.851 ppm2      7.089 CV     1
 ASSI {  339}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      4.900     3.000     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.14761E-03 ppm1      4.342 ppm2      7.822 CV     1
 ASSI {  344}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD1 ))
      4.300     2.300     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.35511E-03 ppm1      5.131 ppm2      7.399 CV     1
 ASSI {  345}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 39   and name HE3 ))
      5.200     3.300     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.14483E-03 ppm1      4.203 ppm2      8.128 CV     1
 ASSI {  348}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.59880E-03 ppm1      1.972 ppm2      8.686 CV     1
 ASSI {  353}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.23396E-03 ppm1      3.076 ppm2      8.149 CV     1
 ASSI {  356}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.19079E-03 ppm1      1.712 ppm2      5.240 CV     1
 ASSI {  358}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      4.100     2.100     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.18800E-03 ppm1      1.186 ppm2      6.125 CV     1
 ASSI {  359}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10194E-03 ppm1      2.315 ppm2      8.505 CV     1
 ASSI {  360}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      5.000     3.200     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.14901E-03 ppm1      2.146 ppm2      7.935 CV     1
 ASSI {  362}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.600     1.600     1.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.78680E-03 ppm1      7.086 ppm2      8.122 CV     1
 ASSI {  364}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      4.900     3.000     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.22838E-03 ppm1      6.597 ppm2      7.940 CV     1
 ASSI {  365}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 26   and name HN  ))
      5.800     4.200     0.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.89406E-04 ppm1      7.206 ppm2      7.821 CV     1
 ASSI {  368}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      5.500     3.800     0.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.93442E-04 ppm1      2.563 ppm2      8.246 CV     1
 ASSI {  370}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 29   and name HN  ))
      4.900     2.900     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.26181E-03 ppm1      6.716 ppm2      9.013 CV     1
 ASSI {  371}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.72415E-03 ppm1      3.180 ppm2      9.433 CV     1
 ASSI {  375}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      4.600     2.700     1.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.95251E-04 ppm1      6.125 ppm2      6.824 CV     1
 ASSI {  376}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 39   and name HH2 ))
      4.700     2.800     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.10013E-03 ppm1      4.533 ppm2      7.080 CV     1
 ASSI {  378}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      5.300     3.500     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.88431E-04 ppm1      4.967 ppm2      7.917 CV     1
 ASSI {  384}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      2.200     0.600     0.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.27434E-02 ppm1      4.620 ppm2      6.923 CV     1
 ASSI {  389}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HE21))
      4.500     2.500     1.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.71581E-04 ppm1      4.254 ppm2      7.608 CV     1
 ASSI {  392}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.47209E-05 ppm1      3.994 ppm2      9.633 CV     1
 ASSI {  401}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.49994E-03 ppm1      7.353 ppm2      8.565 CV     1
 ASSI {  402}
   (  segid "    " and resid 108   and name HD1%)
   (( segid "    " and resid 39   and name HH2 ))
      4.100     2.100     1.900 peak   402 spectrum    1 weight  0.11000E+01 volume  0.23952E-03 ppm1      0.924 ppm2      7.090 CV     1
 ASSI {  405}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.27852E-04 ppm1      0.925 ppm2      9.637 CV     1
 ASSI {  406}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HE  ))
      3.200     1.300     1.300 peak   406 spectrum    1 weight  0.10000E+01 volume  0.63922E-03 ppm1      4.531 ppm2      7.207 CV     1
 ASSI {  408}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.300     2.300     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.97762E-04 ppm1      0.055 ppm2      7.383 CV     1
 ASSI {  409}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.35790E-03 ppm1      2.529 ppm2      8.565 CV     1
 ASSI {  410}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      5.200     3.400     0.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.76729E-04 ppm1      1.401 ppm2      8.872 CV     1
 ASSI {  411}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      5.300     3.500     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.63644E-04 ppm1      8.298 ppm2      8.689 CV     1
 ASSI {  412}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.700     1.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.19357E-03 ppm1      7.821 ppm2      8.871 CV     1
 ASSI {  413}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.300     3.500     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.72693E-04 ppm1      8.497 ppm2      9.451 CV     1
 ASSI {  414}
   (( segid "    " and resid 110   and name HB1 ))
   (( segid "    " and resid 39   and name HE1 ))
      5.700     4.100     0.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.71859E-04 ppm1      2.286 ppm2     10.023 CV     1
 ASSI {  415}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.400     3.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.76037E-04 ppm1      8.331 ppm2      9.635 CV     1
 ASSI {  416}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.000     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.85227E-04 ppm1      4.208 ppm2      8.254 CV     1
 ASSI {  417}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 26   and name HN  ))
      5.200     3.400     0.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.11447E-03 ppm1      6.918 ppm2      7.826 CV     1
 ASSI {  421}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.800     1.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.16293E-03 ppm1      4.037 ppm2      8.566 CV     1
 ASSI {  423}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.200     0.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.12868E-03 ppm1      1.614 ppm2      7.939 CV     1
 ASSI {  425}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 29   and name HE% )
      6.000     6.000     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.39411E-04 ppm1      5.129 ppm2      6.711 CV     1
 ASSI {  428}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.200     1.200     1.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.66286E-03 ppm1      5.726 ppm2      7.388 CV     1
 ASSI {  432}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17965E-03 ppm1      1.989 ppm2      9.644 CV     1
 ASSI {  434}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     6.000     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.55287E-06 ppm1      2.951 ppm2      7.824 CV     1
 ASSI {  437}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 39   and name HE3 ))
      5.000     3.100     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.66286E-04 ppm1      1.592 ppm2      8.127 CV     1
 ASSI {  439}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     4.400     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.72273E-04 ppm1      3.176 ppm2     10.409 CV     1
 ASSI {  441}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.79933E-03 ppm1      6.920 ppm2      8.875 CV     1
 ASSI {  443}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.16572E-03 ppm1      4.194 ppm2      7.824 CV     1
 ASSI {  445}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.800     1.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.48184E-03 ppm1      8.245 ppm2      8.567 CV     1
 ASSI {  446}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.800     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.40942E-03 ppm1      3.093 ppm2      8.313 CV     1
 ASSI {  447}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 39   and name HE3 ))
      4.800     2.900     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.82161E-04 ppm1      7.207 ppm2      8.126 CV     1
 ASSI {  448}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      5.200     3.400     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.73390E-04 ppm1      6.271 ppm2      8.580 CV     1
 ASSI {  452}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 32   and name HN  ))
      5.500     3.800     0.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.78821E-04 ppm1      7.346 ppm2      8.311 CV     1
 OR {  452}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  453}
   (( segid "    " and resid 39   and name HH2 ))
   (( segid "    " and resid 39   and name HE1 ))
      6.000     4.700     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.53196E-04 ppm1      7.096 ppm2     10.022 CV     1
 ASSI {  454}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.700     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.80771E-04 ppm1      2.295 ppm2      5.717 CV     1
 ASSI {  458}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.98176E-04 ppm1      4.446 ppm2      6.596 CV     1
 ASSI {  462}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.300     3.600     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.93862E-04 ppm1      7.023 ppm2      7.765 CV     1
 ASSI {  465}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10138E-03 ppm1      0.818 ppm2      8.241 CV     1
 ASSI {  471}
   (  segid "    " and resid 108   and name HD1%)
   (  segid "    " and resid 28   and name HE% )
      4.800     2.900     1.200 peak   471 spectrum    1 weight  0.11000E+01 volume  0.16711E-03 ppm1      0.922 ppm2      6.274 CV     1
 ASSI {  473}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      5.900     4.300     0.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.51665E-04 ppm1      3.924 ppm2      8.150 CV     1
 ASSI {  475}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.58071E-04 ppm1      4.111 ppm2      7.024 CV     1
 ASSI {  477}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.800     2.900     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.11016E-03 ppm1      5.239 ppm2      7.821 CV     1
 ASSI {  478}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE1 ))
      5.900     4.300     0.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.51246E-04 ppm1      8.145 ppm2     10.410 CV     1
 ASSI {  480}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.37461E-04 ppm1      0.925 ppm2      9.020 CV     1
 ASSI {  483}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      5.600     3.900     0.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.73112E-04 ppm1      1.469 ppm2      8.252 CV     1
 ASSI {  485}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HE1 ))
      4.800     2.900     1.200 peak   485 spectrum    1 weight  0.10000E+01 volume  0.51943E-04 ppm1      4.342 ppm2     10.409 CV     1
 ASSI {  486}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      5.300     3.500     0.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.97065E-04 ppm1      4.849 ppm2      6.848 CV     1
 ASSI {  487}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 29   and name HE% )
      4.900     3.000     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.10333E-03 ppm1      4.027 ppm2      6.713 CV     1
 ASSI {  493}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      6.000     5.600     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.32447E-04 ppm1      5.729 ppm2      6.593 CV     1
 ASSI {  498}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.800     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.10180E-03 ppm1      8.876 ppm2      9.642 CV     1
 ASSI {  499}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      4.800     2.900     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10027E-03 ppm1      4.290 ppm2      7.763 CV     1
 ASSI {  503}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 39   and name HH2 ))
      6.000     4.600     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50273E-04 ppm1      4.967 ppm2      7.090 CV     1
 ASSI {  507}
   (( segid "    " and resid 108   and name HG  ))
   (( segid "    " and resid 39   and name HZ2 ))
      2.500     5.200     0.200 peak   507 spectrum    1 weight  0.11000E+01 volume  0.34119E-04 ppm1      1.475 ppm2      7.354 CV     1
 ASSI {  508}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HZ3 ))
      3.400     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.18800E-02 ppm1      5.134 ppm2      6.922 CV     1
 ASSI {  510}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.600     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.16433E-03 ppm1      1.045 ppm2      8.243 CV     1
 ASSI {  511}
   (( segid "    " and resid 109   and name HG1 ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     1.200     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.30219E-03 ppm1      1.859 ppm2      9.442 CV     1
 OR {  511}
   (( segid "    " and resid 109   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  512}
   (( segid "    " and resid 110   and name HD1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     3.700     2.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.63502E-04 ppm1      3.801 ppm2      8.517 CV     1
 ASSI {  517}
   (  segid "    " and resid 108   and name HD2%)
   (  segid "    " and resid 28   and name HD% )
      5.000     3.100     1.000 peak   517 spectrum    1 weight  0.11000E+01 volume  0.14344E-03 ppm1      0.849 ppm2      6.827 CV     1
 ASSI {  520}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 37   and name HN  ))
      5.800     4.300     0.200 peak   520 spectrum    1 weight  0.10000E+01 volume  0.34954E-04 ppm1      6.596 ppm2      8.503 CV     1
 ASSI {  525}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.400     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.28548E-04 ppm1      4.195 ppm2      7.914 CV     1
 ASSI {  531}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.900     3.000     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.69767E-04 ppm1      2.377 ppm2      9.441 CV     1
 ASSI {  535}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
      4.900     3.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      0.782 ppm2      7.353 CV     1
 OR {  535}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 17   and name HE3 ))
 ASSI {  536}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.57374E-05 ppm1      6.919 ppm2      9.635 CV     1
 ASSI {  542}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.200     2.200     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.12060E-03 ppm1      1.589 ppm2      6.921 CV     1
 ASSI {  545}
   (  segid "    " and resid 108   and name HD1%)
   (( segid "    " and resid 39   and name HZ2 ))
      4.300     2.300     1.700 peak   545 spectrum    1 weight  0.11000E+01 volume  0.20610E-03 ppm1      0.922 ppm2      7.358 CV     1
 ASSI {  546}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.100     2.100     3.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18800E-01 ppm1      3.682 ppm2      5.708 CV     1
 OR {  546}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  549}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      5.000     3.200     1.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.61694E-04 ppm1      1.396 ppm2      7.827 CV     1
 ASSI {  551}
   (  segid "    " and resid 108   and name HD2%)
   (( segid "    " and resid 108   and name HN  ))
      4.800     2.900     1.200 peak   551 spectrum    1 weight  0.10000E+01 volume  0.49716E-04 ppm1      0.853 ppm2      8.181 CV     1
 ASSI {  552}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 29   and name HE% )
      3.500     1.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.67539E-03 ppm1      0.812 ppm2      6.715 CV     1
 ASSI {  554}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      6.000     4.900     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.77846E-04 ppm1      4.036 ppm2      7.349 CV     1
 ASSI {  558}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
      5.000     3.100     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.63225E-04 ppm1      0.404 ppm2      7.378 CV     1
 OR {  558}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 17   and name HE3 ))
 ASSI {  564}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
      6.000     5.000     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.43449E-04 ppm1      3.070 ppm2     10.408 CV     1
 ASSI {  566}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HD1 ))
      6.000     6.000     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.12742E-05 ppm1      4.846 ppm2      7.397 CV     1
 OR {  566}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HZ2 ))
 ASSI {  567}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     6.000     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.13104E-04 ppm1      3.995 ppm2      7.915 CV     1
 ASSI {  571}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak   571 spectrum    1 weight  0.10000E+01 volume  0.92745E-03 ppm1      4.290 ppm2      7.938 CV     1
 ASSI {  575}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17129E-03 ppm1      4.454 ppm2      7.829 CV     1
 ASSI {  576}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 39   and name HZ3 ))
      5.600     4.000     0.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.24370E-04 ppm1      6.808 ppm2      6.931 CV     1
 ASSI {  578}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      5.900     4.400     0.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.40664E-04 ppm1      1.211 ppm2      7.760 CV     1
 ASSI {  588}
   (( segid "    " and resid 107   and name HD2 ))
   (  segid "    " and resid 30   and name HE% )
      2.200     2.500     0.100 peak   588 spectrum    1 weight  0.10000E+01 volume  0.35929E-04 ppm1      3.535 ppm2      6.597 CV     1
 ASSI {  589}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.20332E-04 ppm1      1.615 ppm2      9.639 CV     1
 ASSI {  591}
   (( segid "    " and resid 107   and name HD2 ))
   (  segid "    " and resid 30   and name HD% )
      2.200     4.100     0.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.85647E-05 ppm1      3.533 ppm2      6.990 CV     1
 ASSI {  592}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 17   and name HE1 ))
      4.700     2.800     1.300 peak   592 spectrum    1 weight  0.11000E+01 volume  0.22560E-03 ppm1      1.213 ppm2     10.409 CV     1
 ASSI {    1}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 108   and name HD2%)
      4.500     2.600     1.500 peak     1 spectrum    1 weight  0.11000E+01 volume  0.40525E-03 ppm1      4.618 ppm2      0.853 CV     1
 ASSI {    2}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 108   and name HD2%)
      4.200     2.200     1.800 peak     2 spectrum    1 weight  0.11000E+01 volume  0.27852E-03 ppm1      4.193 ppm2      0.850 CV     1
 ASSI {    3}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 108   and name HD2%)
      4.700     4.700     1.300 peak     3 spectrum    1 weight  0.11000E+01 volume  0.33144E-03 ppm1      3.642 ppm2      0.847 CV     1
 ASSI {    4}
   (  segid "    " and resid 108   and name HD1%)
   (( segid "    " and resid 39   and name HE1 ))
      6.000     6.000     0.000 peak     4 spectrum    1 weight  0.11000E+01 volume  0.55985E-04 ppm1      0.926 ppm2     10.010 CV     1
 ASSI {    5}
   (  segid "    " and resid 108   and name HD2%)
   (( segid "    " and resid 39   and name HE1 ))
      6.000     6.000     0.000 peak     5 spectrum    1 weight  0.11000E+01 volume  0.18800E-04 ppm1      0.855 ppm2     10.012 CV     1
 ASSI {    6}
   (  segid "    " and resid 108   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     3.100     2.900 peak     6 spectrum    1 weight  0.11000E+01 volume  0.20889E-03 ppm1      0.925 ppm2      9.637 CV     1
 ASSI {    7}
   (  segid "    " and resid 108   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.800     4.800     1.200 peak     7 spectrum    1 weight  0.11000E+01 volume  0.14205E-04 ppm1      0.854 ppm2      9.637 CV     1
 ASSI {   11}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 108   and name HD2%)
      3.100     3.100     2.900 peak    11 spectrum    1 weight  0.11000E+01 volume  0.60299E-02 ppm1      4.966 ppm2      0.851 CV     1
 ASSI {   12}
   (( segid "    " and resid 108   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     2.300     3.700 peak    12 spectrum    1 weight  0.11000E+01 volume  0.11795E-02 ppm1      1.537 ppm2      9.637 CV     1
 ASSI {   13}
   (( segid "    " and resid 23   and name HD2 ))
   (  segid "    " and resid 108   and name HD1%)
      2.900     1.100     1.100 peak    13 spectrum    1 weight  0.11000E+01 volume  0.68656E-03 ppm1      3.913 ppm2      0.923 CV     1
 ASSI {    2}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.87551E-03 ppm1      4.180 ppm2      1.946 CV     1
 ASSI {   14}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.81398E-03 ppm1      0.947 ppm2      2.023 CV     1
 ASSI {   17}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.31828E-02 ppm1      4.440 ppm2      1.192 CV     1
 ASSI {   18}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.34503E-02 ppm1      4.427 ppm2      2.472 CV     1
 ASSI {   20}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.41635E-02 ppm1      2.124 ppm2      3.632 CV     1
 ASSI {   21}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.33522E-02 ppm1      2.042 ppm2      3.631 CV     1
 ASSI {   25}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      5.500     3.800     0.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12927E-03 ppm1      4.293 ppm2      2.346 CV     1
 ASSI {   26}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     2.300     3.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.32720E-02 ppm1      1.913 ppm2      4.453 CV     1
 ASSI {   27}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10788E-02 ppm1      2.743 ppm2      4.575 CV     1
 ASSI {   32}
   (( segid "    " and resid 33   and name HG1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.800     1.800     1.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.59289E-03 ppm1      2.290 ppm2      4.287 CV     1
 ASSI {   34}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      5.400     3.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.52423E-04 ppm1      2.382 ppm2      4.453 CV     1
 ASSI {   37}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.200     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.21040E-02 ppm1      2.025 ppm2      4.436 CV     1
 ASSI {   38}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.16850E-02 ppm1      6.102 ppm2      6.993 CV     1
 ASSI {   39}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.100     0.600     0.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.60890E-02 ppm1      6.103 ppm2      3.620 CV     1
 ASSI {   42}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.28797E-02 ppm1      5.377 ppm2      2.896 CV     1
 ASSI {   45}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.72748E-02 ppm1      5.234 ppm2      3.095 CV     1
 ASSI {   46}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.61249E-02 ppm1      5.726 ppm2      6.987 CV     1
 ASSI {   47}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.56611E-02 ppm1      5.727 ppm2      2.692 CV     1
 ASSI {   48}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HE3 ))
      2.300     0.600     0.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.61694E-02 ppm1      5.143 ppm2      8.134 CV     1
 ASSI {   51}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.99854E-03 ppm1      5.143 ppm2      3.165 CV     1
 ASSI {   53}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.43240E-02 ppm1      5.148 ppm2      1.682 CV     1
 ASSI {   55}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.53049E-03 ppm1      3.653 ppm2      6.982 CV     1
 ASSI {   58}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 109   and name HA  ))
      2.500     1.800     1.000 peak    58 spectrum    1 weight  0.11000E+01 volume  0.89153E-03 ppm1      3.649 ppm2      4.621 CV     1
 ASSI {   59}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 109   and name HG1 ))
      2.500     2.900     1.000 peak    59 spectrum    1 weight  0.11000E+01 volume  0.14443E-02 ppm1      3.649 ppm2      1.904 CV     1
 ASSI {   60}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.73284E-03 ppm1      3.579 ppm2      6.963 CV     1
 ASSI {   61}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.28529E-02 ppm1      3.579 ppm2      6.101 CV     1
 ASSI {   62}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 109   and name HA  ))
      3.000     1.500     1.000 peak    62 spectrum    1 weight  0.11000E+01 volume  0.66418E-03 ppm1      3.575 ppm2      4.626 CV     1
 ASSI {   63}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 109   and name HG1 ))
      2.500     2.700     1.000 peak    63 spectrum    1 weight  0.11000E+01 volume  0.80327E-03 ppm1      3.579 ppm2      1.890 CV     1
 ASSI {   64}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.51084E-03 ppm1      3.668 ppm2      6.985 CV     1
 ASSI {   65}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      2.300     2.300     3.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.60446E-02 ppm1      3.670 ppm2      6.581 CV     1
 ASSI {   66}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      2.200     0.600     0.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.92720E-02 ppm1      3.670 ppm2      4.270 CV     1
 ASSI {   68}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      3.600     1.600     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.50907E-03 ppm1      4.157 ppm2      2.097 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      6.000     4.700     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.33522E-04 ppm1      4.159 ppm2      0.928 CV     1
 ASSI {   70}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.100     0.600     0.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.87819E-02 ppm1      3.931 ppm2      1.172 CV     1
 ASSI {   71}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      5.100     3.300     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.23002E-03 ppm1      3.934 ppm2      0.399 CV     1
 ASSI {   72}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HG2%)
      2.700     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.40654E-02 ppm1      4.087 ppm2      0.959 CV     1
 ASSI {   73}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.40387E-02 ppm1      4.246 ppm2      4.838 CV     1
 ASSI {   76}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.600     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      4.254 ppm2      1.193 CV     1
 ASSI {   77}
   (( segid "    " and resid 27   and name HB  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.22378E-02 ppm1      4.029 ppm2      4.939 CV     1
 ASSI {   78}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
      2.100     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.13195E-01 ppm1      4.030 ppm2      0.918 CV     1
 ASSI {   79}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.800     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.14086E-02 ppm1      4.214 ppm2      2.330 CV     1
 ASSI {   80}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 10   and name HG1%)
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.54474E-02 ppm1      4.215 ppm2      0.962 CV     1
 ASSI {   84}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      2.600     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.39406E-02 ppm1      3.630 ppm2      6.582 CV     1
 ASSI {   85}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.100     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10074E-01 ppm1      3.631 ppm2      2.068 CV     1
 OR {   85}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {   86}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.48678E-02 ppm1      3.629 ppm2      1.191 CV     1
 ASSI {   88}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HD1 ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.43775E-02 ppm1      2.913 ppm2      2.509 CV     1
 ASSI {   90}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.300     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.48411E-02 ppm1      2.916 ppm2      1.304 CV     1
 ASSI {   93}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.900     1.900     1.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      4.025 ppm2      4.593 CV     1
 ASSI {   95}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.54742E-02 ppm1      4.025 ppm2      2.108 CV     1
 ASSI {   97}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      3.929 ppm2      4.594 CV     1
 ASSI {  101}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.300     1.400     1.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.91831E-03 ppm1      2.512 ppm2      1.190 CV     1
 ASSI {  102}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HG1 ))
      3.100     1.200     1.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.72036E-03 ppm1      2.512 ppm2      0.783 CV     1
 ASSI {  103}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.700     1.700     1.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.82913E-03 ppm1      2.512 ppm2      0.382 CV     1
 ASSI {  104}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.900     1.900     1.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.88350E-03 ppm1      2.325 ppm2      1.195 CV     1
 ASSI {  105}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.500     1.500     1.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.30312E-03 ppm1      2.323 ppm2      0.379 CV     1
 ASSI {  106}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.400     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.40476E-02 ppm1      2.319 ppm2      2.910 CV     1
 ASSI {  112}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.800     1.800     1.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.29153E-03 ppm1      4.435 ppm2      7.382 CV     1
 ASSI {  114}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.19168E-02 ppm1      4.436 ppm2      0.047 CV     1
 ASSI {  115}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      2.400     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.52867E-02 ppm1      4.938 ppm2      0.917 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 39   and name HE3 ))
      3.300     1.300     1.300 peak   120 spectrum    1 weight  0.10000E+01 volume  0.96287E-03 ppm1      4.984 ppm2      8.131 CV     1
 ASSI {  122}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.300     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.59910E-02 ppm1      4.987 ppm2      2.701 CV     1
 ASSI {  123}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.47252E-02 ppm1      4.987 ppm2      2.384 CV     1
 ASSI {  124}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.700     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.39495E-02 ppm1      4.571 ppm2      2.816 CV     1
 ASSI {  128}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      1.700     0.400     0.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.78366E-02 ppm1      2.700 ppm2      2.384 CV     1
 ASSI {  130}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 26   and name HB1 ))
      4.800     2.900     1.200 peak   130 spectrum    1 weight  0.10000E+01 volume  0.18812E-03 ppm1      2.702 ppm2      1.933 CV     1
 ASSI {  132}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      2.400     0.700     0.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.32987E-02 ppm1      2.384 ppm2      6.842 CV     1
 ASSI {  141}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HZ3 ))
      4.400     2.400     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.65084E-03 ppm1      2.293 ppm2      7.024 CV     1
 OR {  141}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 17   and name HH2 ))
 ASSI {  143}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      5.300     3.500     0.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16137E-03 ppm1      2.306 ppm2      1.725 CV     1
 ASSI {  144}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   144 spectrum    1 weight  0.10000E+01 volume  0.11679E-02 ppm1      2.300 ppm2      4.447 CV     1
 ASSI {  145}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.600     0.300     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.18633E-01 ppm1      2.299 ppm2      0.048 CV     1
 ASSI {  148}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 27   and name HG2%)
      2.700     0.900     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.28440E-02 ppm1      2.109 ppm2      0.921 CV     1
 ASSI {  149}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.800     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18098E-04 ppm1      1.774 ppm2      4.310 CV     1
 ASSI {  150}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   150 spectrum    1 weight  0.10000E+01 volume  0.14978E-02 ppm1      1.360 ppm2      2.905 CV     1
 ASSI {  151}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 28   and name HE% )
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.62052E-03 ppm1      2.658 ppm2      6.249 CV     1
 ASSI {  152}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.24339E-02 ppm1      2.656 ppm2      4.440 CV     1
 ASSI {  153}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.600     0.300     0.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.18009E-01 ppm1      2.657 ppm2      1.180 CV     1
 ASSI {  159}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.32987E-02 ppm1      3.056 ppm2      7.366 CV     1
 OR {  159}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
 ASSI {  163}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HE3 ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.12482E-03 ppm1      3.155 ppm2      8.127 CV     1
 ASSI {  164}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      1.600     0.300     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.19257E-01 ppm1      3.167 ppm2      3.668 CV     1
 ASSI {  165}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.66418E-03 ppm1      3.675 ppm2      8.142 CV     1
 ASSI {  166}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HD1 ))
      4.400     2.400     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.57950E-03 ppm1      3.670 ppm2      7.372 CV     1
 ASSI {  167}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22467E-02 ppm1      3.670 ppm2      5.143 CV     1
 ASSI {  169}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      4.200     2.300     1.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.44042E-03 ppm1      1.608 ppm2      5.155 CV     1
 ASSI {  170}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.18098E-02 ppm1      1.603 ppm2      3.639 CV     1
 ASSI {  171}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.47965E-02 ppm1      2.079 ppm2      4.293 CV     1
 ASSI {  173}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      5.100     3.200     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.26211E-03 ppm1      2.047 ppm2      6.585 CV     1
 ASSI {  178}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.21040E-02 ppm1      1.604 ppm2      4.506 CV     1
 ASSI {  179}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     3.400     2.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25855E-02 ppm1      1.649 ppm2      2.691 CV     1
 ASSI {  182}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.300     0.700     0.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.69540E-02 ppm1      1.617 ppm2      2.528 CV     1
 ASSI {  184}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HD2 ))
      3.400     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.92720E-03 ppm1      0.775 ppm2      2.324 CV     1
 ASSI {  185}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB1 ))
      2.600     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.19346E-02 ppm1      0.770 ppm2      1.169 CV     1
 ASSI {  186}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.000     0.500     0.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.46717E-02 ppm1      0.775 ppm2      0.380 CV     1
 ASSI {  189}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.200     1.300     1.300 peak   189 spectrum    1 weight  0.10000E+01 volume  0.20238E-02 ppm1      0.386 ppm2      1.169 CV     1
 ASSI {  193}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HE1 ))
      3.400     1.400     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.63477E-03 ppm1      1.193 ppm2      2.944 CV     1
 ASSI {  194}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.100     0.500     0.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.12214E-01 ppm1      1.190 ppm2      2.082 CV     1
 OR {  194}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  195}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.900     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.34414E-03 ppm1      1.447 ppm2      4.323 CV     1
 ASSI {  198}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.11233E-02 ppm1      1.379 ppm2      5.152 CV     1
 ASSI {  199}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.900     1.900     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.33879E-03 ppm1      1.381 ppm2      4.938 CV     1
 ASSI {  200}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 42   and name HD2 ))
      3.500     1.600     1.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.24072E-03 ppm1      1.031 ppm2      2.322 CV     1
 ASSI {  202}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      1.025 ppm2      2.898 CV     1
 ASSI {  205}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HD2 ))
      3.900     1.900     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.51534E-03 ppm1      0.799 ppm2      2.319 CV     1
 ASSI {  206}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.14443E-02 ppm1      0.807 ppm2      2.894 CV     1
 ASSI {  208}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 30   and name HD% )
      2.900     2.900     3.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.36018E-02 ppm1      1.384 ppm2      6.975 CV     1
 ASSI {  210}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.600     1.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17028E-03 ppm1      1.385 ppm2      5.248 CV     1
 ASSI {  212}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.300     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.56879E-02 ppm1      1.383 ppm2      4.272 CV     1
 ASSI {  213}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.62942E-02 ppm1      1.385 ppm2      3.667 CV     1
 ASSI {  217}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      5.500     3.800     0.500 peak   217 spectrum    1 weight  0.10000E+01 volume  0.92720E-04 ppm1      1.317 ppm2      5.222 CV     1
 ASSI {  218}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.73552E-02 ppm1      1.319 ppm2      4.844 CV     1
 ASSI {  220}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.500     0.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.14889E-01 ppm1      1.319 ppm2      4.244 CV     1
 ASSI {  222}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 109   and name HB1 ))
      3.600     3.600     2.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.12482E-02 ppm1      0.936 ppm2      2.143 CV     1
 ASSI {  224}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HZ3 ))
      2.400     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.43329E-02 ppm1      1.194 ppm2      7.034 CV     1
 OR {  224}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 17   and name HH2 ))
 ASSI {  232}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.13551E-02 ppm1      2.526 ppm2      1.937 CV     1
 ASSI {  237}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.19346E-02 ppm1      2.688 ppm2      6.667 CV     1
 ASSI {  240}
   (( segid "    " and resid 35   and name HE1 ))
   (( segid "    " and resid 35   and name HD1 ))
      3.100     1.200     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.14443E-02 ppm1      2.960 ppm2      1.584 CV     1
 ASSI {  243}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HG1 ))
      4.600     2.600     1.400 peak   243 spectrum    1 weight  0.10000E+01 volume  0.30223E-03 ppm1      2.922 ppm2      1.376 CV     1
 ASSI {  245}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      2.714 ppm2      5.376 CV     1
 ASSI {  246}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.22378E-02 ppm1      2.720 ppm2      1.192 CV     1
 ASSI {  249}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     3.200     2.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.42170E-02 ppm1      1.944 ppm2      4.494 CV     1
 ASSI {  250}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      1.833 ppm2      4.502 CV     1
 ASSI {  251}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      3.200     3.200     2.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.81307E-03 ppm1      4.593 ppm2      6.841 CV     1
 ASSI {  252}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.400     1.400     1.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.74355E-03 ppm1      4.598 ppm2      2.092 CV     1
 ASSI {  262}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      1.600     0.300     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.10074E-01 ppm1      4.181 ppm2      4.589 CV     1
 ASSI {  264}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HA2 ))
      1.600     0.300     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.30402E-01 ppm1      4.335 ppm2      3.634 CV     1
 ASSI {  266}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 21   and name HB1 ))
      4.500     2.500     1.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.48767E-03 ppm1      4.345 ppm2      1.694 CV     1
 ASSI {  278}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.13908E-02 ppm1      2.067 ppm2      4.400 CV     1
 ASSI {  280}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.36821E-02 ppm1      1.850 ppm2      4.455 CV     1
 ASSI {  286}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG1 ))
      2.000     0.500     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.97176E-02 ppm1      2.042 ppm2      1.191 CV     1
 ASSI {  287}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.26390E-03 ppm1      2.113 ppm2      6.587 CV     1
 ASSI {  288}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HG1 ))
      2.300     2.300     3.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.13373E-01 ppm1      2.128 ppm2      1.194 CV     1
 ASSI {  289}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HG1 ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.73107E-02 ppm1      1.699 ppm2      1.414 CV     1
 ASSI {  291}
   (( segid "    " and resid 20   and name HE1 ))
   (( segid "    " and resid 18   and name HB  ))
      5.800     4.200     0.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.11590E-03 ppm1      8.632 ppm2      4.240 CV     1
 ASSI {  298}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      6.837 ppm2      3.640 CV     1
 ASSI {  299}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB1 ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.24963E-02 ppm1      6.844 ppm2      2.902 CV     1
 ASSI {  310}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
      4.500     2.600     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.23893E-03 ppm1      7.331 ppm2      4.310 CV     1
 ASSI {  317}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     1.800     1.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.21219E-03 ppm1      7.003 ppm2      0.050 CV     1
 ASSI {  318}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 30   and name HA  ))
      4.700     2.800     1.300 peak   318 spectrum    1 weight  0.10000E+01 volume  0.11233E-03 ppm1      7.002 ppm2      5.729 CV     1
 ASSI {  320}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     6.000     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.12838E-04 ppm1      6.999 ppm2      2.717 CV     1
 ASSI {  321}
   (( segid "    " and resid 17   and name HZ3 ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     1.100     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      7.004 ppm2      1.192 CV     1
 ASSI {  323}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 28   and name HB1 ))
      2.900     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.72480E-03 ppm1      6.895 ppm2      2.689 CV     1
 ASSI {  325}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 28   and name HB2 ))
      5.200     3.300     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28618E-03 ppm1      6.884 ppm2      2.385 CV     1
 ASSI {  327}
   (( segid "    " and resid 39   and name HZ3 ))
   (( segid "    " and resid 26   and name HG1 ))
      5.500     3.800     0.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.91831E-04 ppm1      6.898 ppm2      1.657 CV     1
 ASSI {  331}
   (( segid "    " and resid 39   and name HE3 ))
   (( segid "    " and resid 26   and name HB1 ))
      4.600     2.600     1.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.17296E-03 ppm1      8.128 ppm2      1.925 CV     1
 ASSI {  332}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HZ3 ))
      2.300     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.45558E-02 ppm1      7.388 ppm2      7.001 CV     1
 ASSI {  333}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.29777E-02 ppm1      7.387 ppm2      5.237 CV     1
 ASSI {  334}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.40030E-02 ppm1      7.386 ppm2      3.077 CV     1
 ASSI {  339}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
      4.700     2.800     1.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.13730E-03 ppm1      6.674 ppm2      5.398 CV     1
 ASSI {  342}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.95393E-03 ppm1      6.674 ppm2      1.176 CV     1
 ASSI {  347}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.34235E-03 ppm1      6.245 ppm2      4.189 CV     1
 ASSI {  348}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.34948E-03 ppm1      6.244 ppm2      3.659 CV     1
 ASSI {  359}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 27   and name HG2%)
      2.900     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      6.688 ppm2      0.916 CV     1
 ASSI {  362}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HH2 ))
      2.200     0.600     0.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.65705E-02 ppm1      7.350 ppm2      7.089 CV     1
 ASSI {  364}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 22   and name HB2 ))
      5.700     4.100     0.300 peak   364 spectrum    1 weight  0.10000E+01 volume  0.14710E-03 ppm1      7.355 ppm2      4.163 CV     1
 ASSI {  365}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 109   and name HD2 ))
      3.000     1.600     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.35662E-03 ppm1      7.346 ppm2      3.471 CV     1
 ASSI {  366}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 109   and name HB2 ))
      4.000     2.700     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.14889E-03 ppm1      7.350 ppm2      1.873 CV     1
 ASSI {  369}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
      5.400     3.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.13730E-03 ppm1      0.775 ppm2      7.340 CV     1
 ASSI {  370}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 17   and name HE3 ))
      5.000     3.100     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14354E-03 ppm1      0.384 ppm2      7.409 CV     1
 ASSI {  371}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 18   and name HB  ))
      5.200     3.300     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.55722E-04 ppm1      6.673 ppm2      4.245 CV     1
 ASSI {  372}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 106   and name HG1 ))
      2.200     3.500     0.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.87193E-04 ppm1      6.678 ppm2      1.832 CV     1
 ASSI {  378}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.700     0.700 peak   378 spectrum    1 weight  0.11000E+01 volume  0.56076E-02 ppm1      4.442 ppm2      5.234 CV     1
 ASSI {  380}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 17   and name HH2 ))
      3.500     1.600     1.600 peak   380 spectrum    1 weight  0.11000E+01 volume  0.41724E-03 ppm1      0.045 ppm2      7.026 CV     1
 ASSI {  381}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   381 spectrum    1 weight  0.11000E+01 volume  0.55813E-02 ppm1      5.376 ppm2      4.584 CV     1
 ASSI {  382}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   382 spectrum    1 weight  0.11000E+01 volume  0.45736E-02 ppm1      4.939 ppm2      5.163 CV     1
 ASSI {  386}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 29   and name HD% )
      5.300     3.500     0.700 peak   386 spectrum    1 weight  0.11000E+01 volume  0.39139E-04 ppm1      3.165 ppm2      6.819 CV     1
 ASSI {  387}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 29   and name HD% )
      5.400     5.400     0.600 peak   387 spectrum    1 weight  0.11000E+01 volume  0.12125E-03 ppm1      3.080 ppm2      6.836 CV     1
 ASSI {  388}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 29   and name HD% )
      3.200     3.200     2.800 peak   388 spectrum    1 weight  0.11000E+01 volume  0.41992E-03 ppm1      2.512 ppm2      6.846 CV     1
 ASSI {  389}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 29   and name HD% )
      4.600     2.700     1.400 peak   389 spectrum    1 weight  0.11000E+01 volume  0.46182E-04 ppm1      2.319 ppm2      6.843 CV     1
 ASSI {  390}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      2.000     0.500     0.500 peak   390 spectrum    1 weight  0.11000E+01 volume  0.55186E-02 ppm1      6.102 ppm2      5.718 CV     1
 ASSI {  393}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 31   and name HB2 ))
      5.000     5.000     1.000 peak   393 spectrum    1 weight  0.11000E+01 volume  0.80241E-04 ppm1      7.506 ppm2     -0.010 CV     1
 ASSI {  395}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.100     1.200     1.200 peak   395 spectrum    1 weight  0.11000E+01 volume  0.75694E-03 ppm1      2.697 ppm2      8.130 CV     1
 ASSI {  396}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 39   and name HE3 ))
      4.200     2.200     1.800 peak   396 spectrum    1 weight  0.11000E+01 volume  0.35751E-03 ppm1      2.387 ppm2      8.140 CV     1
 ASSI {  398}
   (( segid "    " and resid 20   and name HE1 ))
   (( segid "    " and resid 105   and name HG1 ))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.11000E+01 volume  0.55095E-04 ppm1      8.629 ppm2      1.910 CV     1
 ASSI {  399}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 106   and name HG1 ))
      3.000     3.900     1.000 peak   399 spectrum    1 weight  0.11000E+01 volume  0.54474E-03 ppm1      6.978 ppm2      1.902 CV     1
 ASSI {  400}
   (  segid "    " and resid 28   and name HE% )
   (  segid "    " and resid 108   and name HD2%)
      3.800     1.800     1.800 peak   400 spectrum    1 weight  0.11000E+01 volume  0.60890E-03 ppm1      6.242 ppm2      0.865 CV     1
 ASSI {  402}
   (( segid "    " and resid 39   and name HZ2 ))
   (  segid "    " and resid 108   and name HD2%)
      4.700     2.800     1.300 peak   402 spectrum    1 weight  0.11000E+01 volume  0.22734E-03 ppm1      7.352 ppm2      0.871 CV     1
 ASSI {  404}
   (( segid "    " and resid 23   and name HD1 ))
   (  segid "    " and resid 108   and name HD2%)
      3.700     1.700     1.700 peak   404 spectrum    1 weight  0.11000E+01 volume  0.52155E-03 ppm1      4.026 ppm2      0.876 CV     1
 ASSI {  405}
   (( segid "    " and resid 23   and name HD2 ))
   (  segid "    " and resid 108   and name HD2%)
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.11000E+01 volume  0.41635E-03 ppm1      3.931 ppm2      0.881 CV     1
 ASSI {  406}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 109   and name HG1 ))
      3.100     3.100     2.900 peak   406 spectrum    1 weight  0.11000E+01 volume  0.25587E-02 ppm1      6.244 ppm2      1.852 CV     1
 ASSI {    1}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      1.900     1.900     4.100 peak     1 spectrum    1 weight  0.10000E+01 volume  0.22105E-01 ppm1      8.326 ppm2      3.618 CV     1
 ASSI {    3}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.000     0.500     0.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.20924E-01 ppm1      8.408 ppm2      4.434 CV     1
 ASSI {    4}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      1.900     0.500     0.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17380E-01 ppm1      8.184 ppm2      4.451 CV     1
 ASSI {    5}
   (( segid "    " and resid 36   and name HE21))
   (( segid "    " and resid 36   and name HE22))
      1.600     0.300     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.16672E-01 ppm1      7.575 ppm2      6.956 CV     1
 ASSI {    6}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      1.900     0.400     0.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15828E-01 ppm1      9.454 ppm2      5.361 CV     1
 ASSI {    7}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      1.900     0.400     0.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.14039E-01 ppm1      8.217 ppm2      4.429 CV     1
 ASSI {    9}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.000     0.500     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.11812E-01 ppm1      7.909 ppm2      3.620 CV     1
 ASSI {   10}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 12   and name HA  ))
      2.800     2.800     3.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11727E-01 ppm1      6.629 ppm2      4.496 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.000     0.500     0.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.11323E-01 ppm1      9.013 ppm2      4.956 CV     1
 ASSI {   15}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10918E-01 ppm1      8.880 ppm2      4.008 CV     1
 ASSI {   16}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.10799E-01 ppm1      8.327 ppm2      4.315 CV     1
 ASSI {   18}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HD1 ))
      2.200     0.600     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10377E-01 ppm1      9.988 ppm2      7.354 CV     1
 OR {   18}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HZ2 ))
 ASSI {   19}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.000     0.500     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.97868E-02 ppm1      8.543 ppm2      4.559 CV     1
 ASSI {   20}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.200     0.600     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.95004E-02 ppm1      8.696 ppm2      1.809 CV     1
 ASSI {   21}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.100     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.91290E-02 ppm1      9.402 ppm2      5.212 CV     1
 ASSI {   22}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.100     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.88759E-02 ppm1      8.489 ppm2      4.412 CV     1
 ASSI {   23}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.000     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.88082E-02 ppm1      8.891 ppm2      4.931 CV     1
 ASSI {   24}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.200     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.81165E-02 ppm1      8.146 ppm2      2.052 CV     1
 ASSI {   25}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.100     0.500     0.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.78634E-02 ppm1      9.455 ppm2      2.670 CV     1
 ASSI {   26}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.76270E-02 ppm1      8.880 ppm2      4.494 CV     1
 ASSI {   27}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.74415E-02 ppm1      7.751 ppm2      8.123 CV     1
 ASSI {   28}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.74244E-02 ppm1      8.317 ppm2      4.428 CV     1
 ASSI {   30}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.66145E-02 ppm1      8.649 ppm2      3.162 CV     1
 ASSI {   34}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.700     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.55010E-02 ppm1      9.404 ppm2      1.321 CV     1
 ASSI {   35}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.54671E-02 ppm1      9.013 ppm2      2.361 CV     1
 ASSI {   37}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.51635E-02 ppm1      8.487 ppm2      4.507 CV     1
 ASSI {   38}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.51635E-02 ppm1      7.909 ppm2      6.984 CV     1
 ASSI {   40}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.45898E-02 ppm1      8.184 ppm2      0.928 CV     1
 ASSI {   41}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.200     0.600     0.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.44548E-02 ppm1      7.751 ppm2      2.058 CV     1
 ASSI {   42}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.39823E-02 ppm1      8.326 ppm2      7.821 CV     1
 ASSI {   44}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.37798E-02 ppm1      8.215 ppm2      4.307 CV     1
 ASSI {   45}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35605E-02 ppm1      8.318 ppm2      1.368 CV     1
 ASSI {   47}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.31555E-02 ppm1      8.115 ppm2      5.205 CV     1
 ASSI {   48}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.000     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.30373E-02 ppm1      8.408 ppm2      1.684 CV     1
 ASSI {   49}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA1 ))
      2.800     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      8.465 ppm2      4.006 CV     1
 ASSI {   50}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.28180E-02 ppm1      8.314 ppm2      4.315 CV     1
 ASSI {   52}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.26830E-02 ppm1      8.489 ppm2      2.014 CV     1
 ASSI {   53}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      3.200     1.300     1.300 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26492E-02 ppm1      7.751 ppm2      0.954 CV     1
 ASSI {   56}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.400     1.400     1.400 peak    56 spectrum    1 weight  0.10000E+01 volume  0.22611E-02 ppm1      7.791 ppm2      1.601 CV     1
 ASSI {   57}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.21937E-02 ppm1      6.998 ppm2      3.620 CV     1
 ASSI {   58}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.300     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      8.543 ppm2      2.080 CV     1
 ASSI {   62}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.900     1.900     1.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.16284E-02 ppm1      8.210 ppm2      2.343 CV     1
 ASSI {   63}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.600     2.600     3.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.16047E-02 ppm1      7.839 ppm2      1.179 CV     1
 ASSI {   64}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak    64 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      8.207 ppm2      1.858 CV     1
 ASSI {   65}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
      3.100     1.200     1.200 peak    65 spectrum    1 weight  0.10000E+01 volume  0.14394E-02 ppm1      7.895 ppm2      3.921 CV     1
 ASSI {   66}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.300     2.300     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      8.696 ppm2      2.092 CV     1
 ASSI {   67}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HB1 ))
      4.300     2.300     1.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12639E-02 ppm1     10.348 ppm2      1.179 CV     1
 ASSI {   69}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.400     2.500     1.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      8.216 ppm2      1.878 CV     1
 ASSI {   70}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.700     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.98884E-03 ppm1      8.231 ppm2      1.789 CV     1
 ASSI {   71}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     2.800     3.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.94665E-03 ppm1      7.843 ppm2      4.516 CV     1
 ASSI {   72}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.400     1.500     1.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.94493E-03 ppm1      8.696 ppm2      4.247 CV     1
 ASSI {   73}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.200     1.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.89431E-03 ppm1      6.629 ppm2      0.031 CV     1
 ASSI {   75}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.83697E-03 ppm1      8.489 ppm2      3.602 CV     1
 ASSI {   76}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.76947E-03 ppm1      8.166 ppm2      2.282 CV     1
 ASSI {   77}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      3.500     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.74754E-03 ppm1      8.184 ppm2      2.092 CV     1
 ASSI {   82}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 110   and name HA  ))
      2.500     1.700     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.69353E-03 ppm1      9.985 ppm2      4.382 CV     1
 ASSI {   84}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.64968E-03 ppm1      6.998 ppm2      1.713 CV     1
 ASSI {   86}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.500     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.63614E-03 ppm1      8.880 ppm2      1.615 CV     1
 ASSI {   87}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.200     1.300     1.300 peak    87 spectrum    1 weight  0.10000E+01 volume  0.62436E-03 ppm1      8.408 ppm2      2.649 CV     1
 ASSI {   88}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.800     1.800     1.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.59733E-03 ppm1      8.114 ppm2      7.337 CV     1
 ASSI {   93}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.57541E-03 ppm1      9.612 ppm2      4.918 CV     1
 ASSI {   94}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.900     1.900     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.57036E-03 ppm1      9.611 ppm2      1.669 CV     1
 ASSI {   96}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.300     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.56359E-03 ppm1      8.892 ppm2      6.813 CV     1
 ASSI {   97}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.600     1.600     1.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.54671E-03 ppm1      7.000 ppm2      4.418 CV     1
 ASSI {   98}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.54166E-03 ppm1      8.486 ppm2      1.821 CV     1
 ASSI {   99}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.52984E-03 ppm1      8.113 ppm2      4.488 CV     1
 ASSI {  102}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.300     2.300     1.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.51635E-03 ppm1      8.696 ppm2      1.311 CV     1
 ASSI {  105}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      4.200     2.200     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.49779E-03 ppm1      8.408 ppm2      1.377 CV     1
 ASSI {  106}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.800     1.800     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.49273E-03 ppm1      7.909 ppm2      1.180 CV     1
 ASSI {  111}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.500     2.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.44379E-03 ppm1      7.840 ppm2      2.757 CV     1
 ASSI {  115}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.900     1.900     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.41173E-03 ppm1      8.486 ppm2      2.365 CV     1
 ASSI {  117}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.37967E-03 ppm1      8.318 ppm2      3.660 CV     1
 ASSI {  118}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      5.100     3.300     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.34761E-03 ppm1      8.217 ppm2      2.340 CV     1
 ASSI {  119}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.34423E-03 ppm1      8.167 ppm2      4.440 CV     1
 ASSI {  120}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.800     2.900     1.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.34255E-03 ppm1      8.211 ppm2      8.644 CV     1
 ASSI {  122}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.32905E-03 ppm1      8.231 ppm2      1.416 CV     1
 ASSI {  125}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.300     3.600     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.31555E-03 ppm1      8.543 ppm2      1.804 CV     1
 ASSI {  129}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      5.200     3.400     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.30205E-03 ppm1      8.318 ppm2      2.038 CV     1
 ASSI {  131}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.200     3.300     0.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.29361E-03 ppm1      9.401 ppm2      3.077 CV     1
 ASSI {  134}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.27674E-03 ppm1      8.412 ppm2      5.188 CV     1
 ASSI {  135}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.400     2.400     1.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.26830E-03 ppm1      8.216 ppm2      1.796 CV     1
 ASSI {  137}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 109   and name HG1 ))
      3.500     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.26492E-03 ppm1      9.442 ppm2      1.819 CV     1
 ASSI {  138}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      5.700     4.000     0.300 peak   138 spectrum    1 weight  0.10000E+01 volume  0.25480E-03 ppm1      8.325 ppm2      1.644 CV     1
 ASSI {  144}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.100     3.300     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.24130E-03 ppm1      8.489 ppm2      1.716 CV     1
 ASSI {  145}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      4.600     2.600     1.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.22442E-03 ppm1      8.213 ppm2      1.437 CV     1
 ASSI {  148}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      5.700     4.000     0.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.22105E-03 ppm1      8.145 ppm2      0.959 CV     1
 ASSI {  151}
   (( segid "    " and resid 36   and name HE22))
   (( segid "    " and resid 36   and name HG1 ))
      5.400     3.700     0.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.21262E-03 ppm1      6.964 ppm2      2.318 CV     1
 ASSI {  152}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      4.400     2.400     1.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.21093E-03 ppm1      7.791 ppm2      3.618 CV     1
 ASSI {  154}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      5.500     3.700     0.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.20924E-03 ppm1      8.166 ppm2      2.668 CV     1
 ASSI {  158}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      5.100     3.300     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.18055E-03 ppm1      7.895 ppm2      4.404 CV     1
 ASSI {  160}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.900     4.400     0.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17718E-03 ppm1      6.998 ppm2      0.033 CV     1
 ASSI {  161}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.700     4.000     0.300 peak   161 spectrum    1 weight  0.10000E+01 volume  0.17718E-03 ppm1      8.208 ppm2      3.168 CV     1
 ASSI {  164}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
      5.100     3.200     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16840E-03 ppm1      8.461 ppm2      0.912 CV     1
 ASSI {  167}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.900     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16284E-03 ppm1      7.751 ppm2      3.622 CV     1
 ASSI {  169}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.300     3.600     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.15929E-03 ppm1      9.401 ppm2      4.451 CV     1
 ASSI {  170}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.600     2.700     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.15389E-03 ppm1      9.455 ppm2      7.363 CV     1
 ASSI {  171}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.900     3.000     1.100 peak   171 spectrum    1 weight  0.10000E+01 volume  0.15136E-03 ppm1      9.402 ppm2      7.360 CV     1
 ASSI {  173}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 15   and name HA  ))
      5.300     3.600     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.15086E-03 ppm1     10.349 ppm2      4.485 CV     1
 ASSI {  174}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      5.500     3.700     0.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.14967E-03 ppm1      9.408 ppm2      8.676 CV     1
 ASSI {  176}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      4.700     2.800     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.14934E-03 ppm1      9.453 ppm2      6.662 CV     1
 ASSI {  177}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      5.200     3.400     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14782E-03 ppm1      7.909 ppm2      0.941 CV     1
 ASSI {  179}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      6.000     5.300     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.14630E-03 ppm1      8.326 ppm2      1.947 CV     1
 ASSI {  183}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      5.300     3.500     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.13347E-03 ppm1      8.890 ppm2      2.659 CV     1
 ASSI {  186}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 33   and name HB1 ))
      5.900     4.400     0.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.13196E-03 ppm1      6.631 ppm2      2.042 CV     1
 ASSI {  187}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.900     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.12639E-03 ppm1      8.407 ppm2      1.146 CV     1
 ASSI {  190}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 31   and name HD21))
      5.100     3.200     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.12014E-03 ppm1     10.350 ppm2      6.618 CV     1
 ASSI {  194}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.900     3.000     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.11171E-03 ppm1      9.403 ppm2      2.668 CV     1
 ASSI {  197}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HH2 ))
      6.000     5.000     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10816E-03 ppm1     10.349 ppm2      7.020 CV     1
 ASSI {  198}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.500     3.800     0.500 peak   198 spectrum    1 weight  0.10000E+01 volume  0.10496E-03 ppm1      8.184 ppm2      3.838 CV     1
 ASSI {  199}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.200     2.200     1.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.10462E-03 ppm1      8.209 ppm2      5.117 CV     1
 ASSI {  204}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.400     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.92301E-04 ppm1      7.750 ppm2      0.014 CV     1
 ASSI {  207}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.900     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.85046E-04 ppm1      8.114 ppm2      1.821 CV     1
 ASSI {  208}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.800     4.200     0.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.80322E-04 ppm1      9.612 ppm2      8.386 CV     1
 ASSI {  214}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      5.700     4.100     0.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.68343E-04 ppm1      8.146 ppm2      1.368 CV     1
 ASSI {  215}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 34   and name HB  ))
      5.900     4.300     0.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.66655E-04 ppm1      6.629 ppm2      4.213 CV     1
 ASSI {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.600     4.000     0.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.66317E-04 ppm1      9.441 ppm2      5.735 CV     1
 ASSI {  222}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      6.000     4.700     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.56864E-04 ppm1      8.154 ppm2      1.193 CV     1
 ASSI {  224}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      5.500     3.800     0.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.48598E-04 ppm1      8.165 ppm2      7.394 CV     1
 ASSI {  225}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.800     4.200     0.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.47754E-04 ppm1      8.210 ppm2      3.641 CV     1
 ASSI {  232}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     6.000     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.39992E-04 ppm1      8.165 ppm2      1.719 CV     1
 ASSI {  233}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     6.000     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.39654E-04 ppm1      8.165 ppm2      3.616 CV     1
 OR {  233}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  234}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.39317E-04 ppm1      8.318 ppm2      0.024 CV     1
 ASSI {  237}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 110   and name HD2 ))
      3.500     5.500     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.33580E-04 ppm1      9.987 ppm2      3.628 CV     1
 ASSI {  238}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     5.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.31386E-04 ppm1      6.629 ppm2      1.811 CV     1
 ASSI {  241}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      6.000     5.000     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.26999E-04 ppm1      8.166 ppm2      1.997 CV     1
 ASSI {  242}
   (( segid "    " and resid 39   and name HE1 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     6.000     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.24299E-04 ppm1      9.987 ppm2      3.183 CV     1
 ASSI {  246}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     6.000     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.92978E-05 ppm1      9.403 ppm2      4.276 CV     1
!!!!!!!!! 
 ASSI {   14}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19775E-03 ppm1      1.675 ppm2      7.823 CV     1
 ASSI {   15}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.100     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.58768E-02 ppm1      4.440 ppm2      8.183 CV     1
 ASSI {   24}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      1.900     0.500     0.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.10166E-01 ppm1      3.653 ppm2      7.017 CV     1
  ASSI {   25}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.34397E-02 ppm1      4.459 ppm2      8.237 CV     1
 ASSI {   28}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.23535E-02 ppm1      4.550 ppm2      8.573 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.19496E-02 ppm1      3.978 ppm2      8.196 CV     1
 ASSI {   37}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      4.334 ppm2      8.251 CV     1
 ASSI {   38}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.100     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.33979E-02 ppm1      3.652 ppm2      7.941 CV     1
 ASSI {   47}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.10361E-02 ppm1      2.061 ppm2      8.165 CV     1
 ASSI {   48}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.91492E-02 ppm1      4.006 ppm2      8.225 CV     1
 ASSI {   49}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.16154E-02 ppm1      1.865 ppm2      8.245 CV     1
 ASSI {   55}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      4.343 ppm2      8.333 CV     1
 ASSI {   56}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.20332E-02 ppm1      3.190 ppm2      7.396 CV     1
 ASSI {   62}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      1.833 ppm2      8.696 CV     1
 ASSI {   72}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11907E-02 ppm1      4.525 ppm2      8.317 CV     1
 ASSI {   76}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.12074E-02 ppm1      4.322 ppm2      8.406 CV     1
 ASSI {   77}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      2.700 ppm2      9.468 CV     1
 ASSI {   86}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.200     1.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.60299E-03 ppm1      1.390 ppm2      8.242 CV     1
 ASSI {   89}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12589E-02 ppm1      1.842 ppm2      8.568 CV     1
 ASSI {   90}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.11893E-02 ppm1      5.133 ppm2      8.122 CV     1
 ASSI {   93}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HE3 ))
      2.800     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      3.690 ppm2      8.127 CV     1
 ASSI {   97}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HE22))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.12060E-02 ppm1      2.308 ppm2      7.019 CV     1
 ASSI {  105}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.10862E-03 ppm1      4.290 ppm2      8.165 CV     1
 ASSI {  111}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   111 spectrum    1 weight  0.10000E+01 volume  0.80908E-03 ppm1      4.369 ppm2      8.434 CV     1
 ASSI {  140}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      4.968 ppm2      9.638 CV     1
 ASSI {  141}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.66706E-03 ppm1      2.306 ppm2      8.199 CV     1
 ASSI {  150}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.000     2.000     2.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.59602E-03 ppm1      7.013 ppm2      7.385 CV     1
 ASSI {  153}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.14344E-02 ppm1      1.216 ppm2      7.941 CV     1
 ASSI {  154}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.65033E-03 ppm1      3.184 ppm2      8.144 CV     1
 ASSI {  157}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.30219E-03 ppm1      2.062 ppm2      7.022 CV     1
 ASSI {  158}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.34258E-03 ppm1      1.796 ppm2      8.253 CV     1
 ASSI {  175}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.53059E-03 ppm1      2.051 ppm2      8.575 CV     1
 ASSI {  176}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.45399E-03 ppm1      4.509 ppm2      8.689 CV     1
 ASSI {  189}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      8.148 ppm2      8.564 CV     1
 ASSI {  192}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43309E-03 ppm1      4.450 ppm2      7.023 CV     1
 ASSI {  195}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HD1 ))
      3.900     1.900     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.85925E-03 ppm1      3.688 ppm2      7.400 CV     1
 ASSI {  210}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.14901E-02 ppm1      5.727 ppm2      9.460 CV     1
 ASSI {  211}
   (( segid "    " and resid 30   and name HD% ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.13244E-02 ppm1      7.004 ppm2      9.449 CV     1
 ASSI {  215}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.29662E-03 ppm1      8.213 ppm2      8.492 CV     1
 ASSI {  221}
   (( segid "    " and resid 32   and name HG2%))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.19496E-03 ppm1      1.403 ppm2      8.328 CV     1
 ASSI {  250}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HE3 ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.29105E-03 ppm1      7.353 ppm2      8.149 CV     1
 ASSI {  263}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.46652E-03 ppm1      7.942 ppm2      8.166 CV     1
 ASSI {  282}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.700     2.700     1.300 peak   282 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      2.062 ppm2      7.938 CV     1
 ASSI {  290}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      5.800     4.200     0.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.38853E-04 ppm1      2.607 ppm2      8.196 CV     1
 ASSI {  295}
   (( segid "    " and resid 10   and name HG1%))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.24788E-03 ppm1      0.956 ppm2      8.202 CV     1
 ASSI {  312}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.900     1.100     1.100 peak   312 spectrum    1 weight  0.10000E+01 volume  0.47209E-03 ppm1      6.922 ppm2      7.362 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HE  ))
      4.100     2.100     1.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.14065E-03 ppm1      1.675 ppm2      7.210 CV     1
 ASSI {  342}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 25   and name HN  ))
      5.200     3.400     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.13745E-03 ppm1      1.705 ppm2      8.331 CV     1
 ASSI {  357}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.900     3.000     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10653E-03 ppm1      8.691 ppm2      9.433 CV     1
 ASSI {  379}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.10375E-03 ppm1      1.404 ppm2      5.244 CV     1
 ASSI {  390}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.14901E-03 ppm1      3.681 ppm2      8.506 CV     1
 ASSI {  395}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      5.000     3.100     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.10640E-03 ppm1      4.516 ppm2      5.245 CV     1
 ASSI {  396}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HE1 ))
      4.400     2.400     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.29802E-03 ppm1      4.536 ppm2     10.408 CV     1
 ASSI {  397}
   (( segid "    " and resid 8    and name HB% ))
   (( segid "    " and resid 6    and name HN  ))
      4.800     2.900     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.52781E-04 ppm1      1.404 ppm2      8.563 CV     1
 ASSI {  403}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      5.200     3.400     0.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.94973E-04 ppm1      1.849 ppm2      8.332 CV     1
 ASSI {  431}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HE1 ))
      5.100     3.200     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.13160E-03 ppm1      3.187 ppm2     10.017 CV     1
 ASSI {  482}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.100     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.29244E-04 ppm1      8.120 ppm2      8.671 CV     1
 ASSI {  484}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.800     0.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.54449E-04 ppm1      1.701 ppm2      8.249 CV     1
 ASSI {  496}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.37879E-04 ppm1      8.197 ppm2      9.447 CV     1
 ASSI {  529}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.23396E-04 ppm1      8.232 ppm2      8.421 CV     1
 ASSI {  540}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HE  ))
      5.200     3.400     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.22003E-04 ppm1      3.206 ppm2      7.232 CV     1
 ASSI {  547}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HE1 ))
      6.000     6.000     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.47766E-04 ppm1      3.672 ppm2     10.024 CV     1
 ASSI {  555}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      5.500     3.800     0.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.10862E-03 ppm1      4.194 ppm2      8.334 CV     1
 ASSI {  557}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      5.200     3.400     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.67403E-04 ppm1      5.249 ppm2      8.578 CV     1
 ASSI {  568}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     3.300     2.700 peak   568 spectrum    1 weight  0.10000E+01 volume  0.34119E-03 ppm1      1.852 ppm2      8.423 CV     1
 ASSI {  584}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 39   and name HE3 ))
      6.000     6.000     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.48741E-05 ppm1      7.392 ppm2      8.133 CV     1
 ASSI {  586}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.400     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.74365E-04 ppm1      0.793 ppm2      8.198 CV     1
 ASSI {   31}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HE1 ))
      2.600     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.35573E-02 ppm1      1.598 ppm2      2.954 CV     1
 ASSI {   43}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      5.377 ppm2      2.713 CV     1
 ASSI {   49}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HZ3 ))
      4.300     2.300     1.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.55010E-03 ppm1      5.142 ppm2      6.867 CV     1
 ASSI {   92}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.800     1.800     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      2.914 ppm2      0.807 CV     1
 ASSI {  107}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG1 ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.34592E-02 ppm1      2.321 ppm2      0.790 CV     1
 ASSI {  111}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB% ))
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.50907E-02 ppm1      4.312 ppm2      1.401 CV     1
 ASSI {  161}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.42081E-02 ppm1      3.173 ppm2      7.361 CV     1
 ASSI {  295}
   (( segid "    " and resid 28   and name HD% ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.18633E-02 ppm1      6.841 ppm2      4.972 CV     1
 ASSI {  300}
   (( segid "    " and resid 28   and name HD% ))
   (( segid "    " and resid 28   and name HB1 ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.56257E-02 ppm1      6.841 ppm2      2.708 CV     1
 ASSI {  312}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      7.363 ppm2      3.163 CV     1
 ASSI {  341}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.000     1.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.28797E-02 ppm1      6.676 ppm2      2.680 CV     1
 ASSI {   17}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HD% ))
      2.200     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10479E-01 ppm1      9.013 ppm2      6.813 CV     1
 ASSI {   31}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.300     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.65301E-02 ppm1      6.998 ppm2      2.298 CV     1
 ASSI {   36}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.52140E-02 ppm1      9.013 ppm2      2.683 CV     1
 ASSI {   39}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB% ))
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.48766E-02 ppm1      8.397 ppm2      1.387 CV     1
 ASSI {   54}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.24467E-02 ppm1      8.150 ppm2      4.270 CV     1
 ASSI {   59}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.19405E-02 ppm1      8.649 ppm2      8.181 CV     1
 ASSI {   68}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak    68 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      8.232 ppm2      4.292 CV     1
 ASSI {   74}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2%))
      4.000     2.000     2.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.89264E-03 ppm1      8.890 ppm2      0.904 CV     1
 ASSI {   89}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.59567E-03 ppm1      7.794 ppm2      4.484 CV     1
 ASSI {   90}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.59395E-03 ppm1      6.998 ppm2      2.027 CV     1
 ASSI {   91}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.58218E-03 ppm1      8.414 ppm2      4.316 CV     1
 ASSI {   95}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.57036E-03 ppm1      7.910 ppm2      2.058 CV     1
 ASSI {  156}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      4.800     2.900     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.19405E-03 ppm1      8.541 ppm2      6.705 CV     1
 ASSI {  165}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      5.100     3.300     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.16604E-03 ppm1      8.528 ppm2      4.349 CV     1
 ASSI {  180}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      5.500     3.800     0.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.14140E-03 ppm1      8.882 ppm2      7.756 CV     1
 ASSI {  227}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD21))
      6.000     5.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.46404E-04 ppm1      8.165 ppm2      6.606 CV     1
 ASSI {  243}
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     5.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.21599E-04 ppm1      6.631 ppm2      2.305 CV     1

! Ambiguous Distance Restraints

 ASSI {   13}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      2.400     2.400     3.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.69363E-02 ppm1      0.962 ppm2      4.193 CV     1
 OR {   13}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
ASSI {  110}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 107   and name HG1 ))
      3.000     3.000     3.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.30847E-02 ppm1      4.457 ppm2      1.886 CV     1
 OR {  110}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 106   and name HB2 ))
 ASSI {  118}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 39   and name HZ3 ))
      5.000     3.100     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.82555E-04 ppm1      4.592 ppm2      6.875 CV     1
 OR {  118}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 28   and name HD% )
 ASSI {  121}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
      3.000     1.100     1.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.23002E-02 ppm1      4.987 ppm2      6.851 CV     1
 OR {  121}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
 ASSI {  127}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
      5.000     3.100     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.28351E-03 ppm1      2.703 ppm2      3.649 CV     1
 OR {  127}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  134}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 109   and name HD1 ))
      4.300     2.300     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.24517E-03 ppm1      2.391 ppm2      3.706 CV     1
 OR {  134}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  136}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 109   and name HB2 ))
      4.500     2.500     1.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.56167E-03 ppm1      2.393 ppm2      1.907 CV     1
 OR {  136}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  142}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     1.900     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.66064E-03 ppm1      2.304 ppm2      2.070 CV     1
 OR {  142}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
 OR {  142}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  211}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.700     3.700     2.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.31917E-03 ppm1      1.384 ppm2      4.494 CV     1
 OR {  211}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  230}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 36   and name HG1 ))
      3.800     1.800     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.29153E-03 ppm1      1.197 ppm2      2.274 CV     1
 OR {  230}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
ASSI {  267}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HG1 ))
      4.400     2.400     1.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.38336E-03 ppm1      4.315 ppm2      1.622 CV     1
 OR {  267}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 21   and name HD1 ))
 ASSI {  269}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.400     1.400     1.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.79614E-03 ppm1      3.656 ppm2      1.658 CV     1
 OR {  269}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {  296}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.500     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.92720E-03 ppm1      6.842 ppm2      4.593 CV     1
 OR {  296}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  301}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 19   and name HG1 ))
      5.700     4.000     0.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.84252E-04 ppm1      6.845 ppm2      2.105 CV     1
 OR {  301}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 109   and name HB1 ))
 OR {  301}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 106   and name HB1 ))
 ASSI {  302}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 109   and name HG1 ))
      3.300     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.84429E-03 ppm1      6.842 ppm2      1.855 CV     1
 OR {  302}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 106   and name HB2 ))
 OR {  302}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
 OR {  302}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 109   and name HB2 ))
 ASSI {  303}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10877E-02 ppm1      6.844 ppm2      1.187 CV     1
 OR {  303}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  303}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  304}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 27   and name HG2%)
      5.100     3.200     0.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13195E-03 ppm1      6.843 ppm2      0.884 CV     1
 OR {  304}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 27   and name HG2%)
 OR {  304}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 108   and name HD1%)
 ASSI {  313}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 6    and name HB1 ))
      4.900     3.000     1.100 peak   313 spectrum    1 weight  0.10000E+01 volume  0.14354E-03 ppm1      7.374 ppm2      1.836 CV     1
 OR {  313}
   (( segid "    " and resid 39   and name HD1 ))
   (( segid "    " and resid 109   and name HG1 ))
 ASSI {  340}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.600     2.600     1.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.18098E-03 ppm1      6.675 ppm2      4.609 CV     1
 OR {  340}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 105   and name HA  ))
 ASSI {  349}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.30580E-02 ppm1      6.244 ppm2      2.680 CV     1
 OR {  349}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 28   and name HB1 ))
 OR {  349}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  352}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 32   and name HA  ))
      2.300     2.300     3.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.76851E-02 ppm1      6.581 ppm2      3.650 CV     1
 OR {  352}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  353}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      6.581 ppm2      2.027 CV     1
 OR {  353}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  363}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 109   and name HA  ))
      5.300     3.500     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.24696E-03 ppm1      7.349 ppm2      4.621 CV     1
 OR {  363}
   (( segid "    " and resid 39   and name HZ2 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {   85}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.64629E-03 ppm1      8.166 ppm2      6.978 CV     1
 OR {   85}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 OR {   85}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI {  116}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 109   and name HG1 ))
      4.700     2.800     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.39317E-03 ppm1      8.649 ppm2      1.822 CV     1
 OR {  116}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  157}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.500     2.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.19068E-03 ppm1      8.146 ppm2      3.640 CV     1
 OR {  157}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  178}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      4.800     2.900     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.14647E-03 ppm1      8.314 ppm2      6.963 CV     1
 OR {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  188}
   (( segid "    " and resid 31   and name HD21))
   (  segid "    " and resid 34   and name HG2%)
      5.500     3.800     0.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.12420E-03 ppm1      6.631 ppm2      0.954 CV     1
 OR {  188}
   (( segid "    " and resid 31   and name HD21))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  200}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.800     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.10192E-03 ppm1      8.313 ppm2      2.297 CV     1
 OR {  200}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  203}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.700     4.000     0.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.94160E-04 ppm1      9.441 ppm2      2.688 CV     1
 OR {  203}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  205}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 109   and name HG1 ))
      6.000     4.700     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.91457E-04 ppm1      9.013 ppm2      1.820 CV     1
 OR {  205}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  205}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  209}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      5.300     3.500     0.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.76947E-04 ppm1      6.999 ppm2      1.180 CV     1
 OR {  209}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  221}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 34   and name HG2%)
      6.000     4.600     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.58385E-04 ppm1      6.994 ppm2      0.951 CV     1
 OR {  221}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  236}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 17   and name HZ3 ))
      6.000     5.200     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.34930E-04 ppm1      9.441 ppm2      6.964 CV     1
 OR {  236}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HE22))
 ASSI {  239}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.900     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.30205E-04 ppm1      7.751 ppm2      2.296 CV     1
 OR {  239}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG1 ))

!Dihedral Restraints

!Model dihedral restraints for ligand in PPII helix conformation

assign ( resid 101  and name  c  )
       ( resid 102  and name  n  )  
       ( resid 102  and name  ca )
       ( resid 102  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 102  and name  n  )
       ( resid 102  and name  ca  )  
       ( resid 102  and name  c )
       ( resid 103  and name  n  )   2.0 149.0 0.0 2

assign ( resid 102  and name  c  )
       ( resid 103  and name  n  )  
       ( resid 103  and name  ca )
       ( resid 103  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 103  and name  n  )
       ( resid 103  and name  ca  )  
       ( resid 103  and name  c )
       ( resid 104  and name  n  )   2.0 149.0 0.0 2

assign ( resid 103  and name  c  )
       ( resid 104  and name  n  )  
       ( resid 104  and name  ca )
       ( resid 104  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 104  and name  n  )
       ( resid 104  and name  ca  )  
       ( resid 104  and name  c )
       ( resid 105  and name  n  )   2.0 149.0 0.0 2

assign ( resid 104  and name  c  )
       ( resid 105  and name  n  )  
       ( resid 105  and name  ca )
       ( resid 105  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 105  and name  n  )
       ( resid 105  and name  ca  )  
       ( resid 105  and name  c )
       ( resid 106  and name  n  )   2.0 149.0 0.0 2

assign ( resid 105  and name  c  )
       ( resid 106  and name  n  )  
       ( resid 106  and name  ca )
       ( resid 106  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 106  and name  n  )
       ( resid 106  and name  ca  )  
       ( resid 106  and name  c )
       ( resid 107  and name  n  )   2.0 149.0 0.0 2
       
assign ( resid 106  and name  c  )
       ( resid 107  and name  n  )  
       ( resid 107  and name  ca )
       ( resid 107  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 107  and name  n  )
       ( resid 107  and name  ca  )  
       ( resid 107  and name  c )
       ( resid 108  and name  n  )   2.0 149.0 0.0 2
       
assign ( resid 107  and name  c  )
       ( resid 108  and name  n  )  
       ( resid 108  and name  ca )
       ( resid 108  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 108  and name  n  )
       ( resid 108  and name  ca  )  
       ( resid 108  and name  c )
       ( resid 109  and name  n  )   2.0 149.0 0.0 2
       
assign ( resid 108  and name  c  )
       ( resid 109  and name  n  )  
       ( resid 109  and name  ca )
       ( resid 109  and name  c  )   2.0 -78.0 0.0 2

assign ( resid 109  and name  n  )
       ( resid 109  and name  ca  )  
       ( resid 109  and name  c )
       ( resid 110  and name  n  )   2.0 149.0 0.0 2
       
! Dihedral restraints from chemical shifts
! CSI restraints, converted by ARIA
! Phi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid 16 and name C)
       (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 17 and name C)
       (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 18 and name C)
       (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 25 and name C)
       (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 26 and name C)
       (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 27 and name C)
       (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 28 and name C)
       (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 29 and name C)
       (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 35 and name C)
       (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 36 and name C)
       (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 37 and name C)
       (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 38 and name C)
       (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       1.0 -135  30 2



! Psi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       (resid 18 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       (resid 19 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       (resid 20 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       (resid 27 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       (resid 28 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       (resid 29 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       (resid 30 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       (resid 31 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       (resid 37 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       (resid 38 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       (resid 39 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       (resid 40 and name N)
       1.0 135  30 2

!Hydrogen Bonds

assign (resid 32 and name HN) (resid 16 and name O) 1.8 0.3 0.3
assign (resid 32 and name  N) (resid 16 and name O) 2.8 0.3 0.3
assign (resid 18 and name HN) (resid 30 and name O) 1.8 0.3 0.3
assign (resid 18 and name  N) (resid 30 and name O) 2.8 0.3 0.3
assign (resid 30 and name HN) (resid 18 and name O) 1.8 0.3 0.3
assign (resid 30 and name  N) (resid 18 and name O) 2.8 0.3 0.3
assign (resid 20 and name HN) (resid 28 and name O) 1.8 0.3 0.3
assign (resid 20 and name  N) (resid 28 and name O) 2.8 0.3 0.3
assign (resid 28 and name HN) (resid 20 and name O) 1.8 0.3 0.3
assign (resid 28 and name  N) (resid 20 and name O) 2.8 0.3 0.3
assign (resid 26 and name HN) (resid 22 and name O) 1.8 0.3 0.3
assign (resid 26 and name  N) (resid 22 and name O) 2.8 0.3 0.3
assign (resid 22 and name HN) (resid 26 and name O) 1.8 0.3 0.3
assign (resid 22 and name  N) (resid 26 and name O) 2.8 0.3 0.3
assign (resid 36 and name HN) (resid 31 and name O) 1.8 0.3 0.3
assign (resid 36 and name  N) (resid 31 and name O) 2.8 0.3 0.3
assign (resid 31 and name HN) (resid 36 and name O) 1.8 0.3 0.3
assign (resid 31 and name  N) (resid 36 and name O) 2.8 0.3 0.3
assign (resid 29 and name HN) (resid 38 and name O) 1.8 0.3 0.3
assign (resid 29 and name  N) (resid 38 and name O) 2.8 0.3 0.3
assign (resid 38 and name HN) (resid 29 and name O) 1.8 0.3 0.3
assign (resid 38 and name  N) (resid 29 and name O) 2.8 0.3 0.3
assign (resid 37 and name HG)(resid 107 and name O) 1.9 0.5 0.1
assign (resid 39 and name HE1)(resid 110 and name OT1) 1.9 0.5 0.1
assign (resid 28 and name HH)(resid 106 and name O) 1.9 0.5 0.1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER  15           H        SER  15  -8.637  -5.247   1.756
    2    HA   SER  15           HA       SER  15  -8.569  -6.683  -0.682
    3   1HB   SER  15          2HB       SER  15 -10.936  -6.429  -1.344
    4   2HB   SER  15          1HB       SER  15 -10.754  -7.506   0.039
    5    HG   SER  15           HG       SER  15 -11.099  -5.326   1.216
    6    H    MET  16           H        MET  16  -8.998  -5.337  -2.548
    7    HA   MET  16           HA       MET  16  -8.730  -3.428  -3.742
    8   1HB   MET  16          2HB       MET  16 -10.506  -2.663  -1.508
    9   2HB   MET  16          1HB       MET  16  -9.738  -1.333  -2.358
   10   1HG   MET  16          2HG       MET  16 -11.918  -1.815  -3.291
   11   2HG   MET  16          1HG       MET  16 -10.646  -2.142  -4.467
   12   1HE   MET  16          1HE       MET  16 -13.261  -4.874  -5.402
   13   2HE   MET  16          2HE       MET  16 -12.262  -3.541  -5.982
   14   3HE   MET  16          3HE       MET  16 -13.598  -3.224  -4.877
   15    H    TRP  17           H        TRP  17  -6.456  -3.514  -3.556
   16    HA   TRP  17           HA       TRP  17  -5.346  -1.368  -1.875
   17   1HB   TRP  17          2HB       TRP  17  -3.936  -3.982  -2.435
   18   2HB   TRP  17          1HB       TRP  17  -3.385  -2.682  -1.385
   19    HD1  TRP  17           HD       TRP  17  -6.065  -5.447  -1.533
   20    HE1  TRP  17           1HE      TRP  17  -6.760  -6.020   0.877
   21    HE3  TRP  17           3HE      TRP  17  -3.443  -1.821   0.958
   22    HZ2  TRP  17           2HZ      TRP  17  -6.264  -5.068   3.485
   23    HZ3  TRP  17           3HZ      TRP  17  -3.609  -1.730   3.410
   24    HH2  TRP  17           HH       TRP  17  -4.991  -3.318   4.646
   25    H    THR  18           H        THR  18  -3.259  -0.550  -2.668
   26    HA   THR  18           HA       THR  18  -2.905  -0.924  -5.571
   27    HB   THR  18           HB       THR  18  -2.476   1.397  -5.901
   28    HG1  THR  18           1HG      THR  18  -2.453   2.856  -4.129
   29   1HG2  THR  18          1HG2      THR  18  -4.855   0.798  -5.810
   30   2HG2  THR  18          2HG2      THR  18  -4.583   2.445  -5.241
   31   3HG2  THR  18          3HG2      THR  18  -4.874   1.149  -4.081
   32    H    GLU  19           H        GLU  19  -0.794  -1.016  -6.301
   33    HA   GLU  19           HA       GLU  19   1.232  -1.227  -4.185
   34   1HB   GLU  19          2HB       GLU  19   0.842  -3.243  -5.557
   35   2HB   GLU  19          1HB       GLU  19   1.283  -2.335  -6.996
   36   1HG   GLU  19          2HG       GLU  19   3.528  -1.973  -6.037
   37   2HG   GLU  19          1HG       GLU  19   3.072  -2.982  -4.664
   38    H    HIS  20           H        HIS  20   2.694   0.302  -3.995
   39    HA   HIS  20           HA       HIS  20   3.716   1.654  -6.368
   40   1HB   HIS  20          2HB       HIS  20   2.370   3.030  -4.054
   41   2HB   HIS  20          1HB       HIS  20   3.575   3.859  -5.034
   42    HD1  HIS  20           1HD      HIS  20   2.958   4.210  -7.588
   43    HD2  HIS  20           2HD      HIS  20  -0.144   2.873  -5.165
   44    HE1  HIS  20           1HE      HIS  20   0.856   4.595  -8.913
   45    HE2  HIS  20           2HE      HIS  20  -1.004   3.735  -7.449
   46    H    LYS  21           H        LYS  21   5.766   2.696  -6.021
   47    HA   LYS  21           HA       LYS  21   7.234   1.449  -3.808
   48   1HB   LYS  21          2HB       LYS  21   8.033   0.924  -6.056
   49   2HB   LYS  21          1HB       LYS  21   8.238   2.635  -6.397
   50   1HG   LYS  21          2HG       LYS  21   9.940   2.774  -4.636
   51   2HG   LYS  21          1HG       LYS  21   9.749   1.045  -4.334
   52   1HD   LYS  21          2HD       LYS  21  10.482   0.545  -6.594
   53   2HD   LYS  21          1HD       LYS  21  10.598   2.266  -6.959
   54   1HE   LYS  21          2HE       LYS  21  12.317   2.498  -5.212
   55   2HE   LYS  21          1HE       LYS  21  12.222   0.764  -4.908
   56   1HZ   LYS  21          1HZ       LYS  21  14.077   1.300  -6.348
   57   2HZ   LYS  21          2HZ       LYS  21  13.042   2.033  -7.466
   58   3HZ   LYS  21          3HZ       LYS  21  12.941   0.368  -7.184
   59    H    SER  22           H        SER  22   7.298   2.754  -2.087
   60    HA   SER  22           HA       SER  22   7.077   5.435  -1.852
   61   1HB   SER  22          2HB       SER  22   7.222   4.074   0.114
   62   2HB   SER  22          1HB       SER  22   8.853   3.554  -0.274
   63    HG   SER  22           HG       SER  22   9.016   5.164   1.240
   64    HA   PRO  23           HA       PRO  23  10.321   7.326  -4.236
   65   1HB   PRO  23          2HB       PRO  23  10.137   9.356  -2.054
   66   2HB   PRO  23          1HB       PRO  23  10.127   9.583  -3.808
   67   1HG   PRO  23          2HG       PRO  23   7.868   9.746  -2.426
   68   2HG   PRO  23          1HG       PRO  23   7.902   8.945  -4.009
   69   1HD   PRO  23          2HD       PRO  23   7.770   7.747  -1.280
   70   2HD   PRO  23          1HD       PRO  23   7.021   7.199  -2.793
   71    H    ASP  24           H        ASP  24  10.602   7.184  -0.697
   72    HA   ASP  24           HA       ASP  24  13.330   7.731  -0.492
   73   1HB   ASP  24          2HB       ASP  24  11.666   5.890   1.241
   74   2HB   ASP  24          1HB       ASP  24  13.232   6.567   1.677
   75    H    GLY  25           H        GLY  25  11.642   4.872  -1.483
   76   1HA   GLY  25          2HA       GLY  25  12.965   3.425  -3.013
   77   2HA   GLY  25          1HA       GLY  25  14.232   3.480  -1.794
   78    H    ARG  26           H        ARG  26  10.775   3.154  -1.223
   79    HA   ARG  26           HA       ARG  26  11.242   0.404  -0.258
   80   1HB   ARG  26          2HB       ARG  26   9.224   2.151   1.079
   81   2HB   ARG  26          1HB       ARG  26  10.108   0.778   1.725
   82   1HG   ARG  26          2HG       ARG  26  11.309   3.474   1.138
   83   2HG   ARG  26          1HG       ARG  26  10.759   2.938   2.725
   84   1HD   ARG  26          2HD       ARG  26  12.934   1.653   1.076
   85   2HD   ARG  26          1HD       ARG  26  13.175   2.679   2.488
   86    HE   ARG  26           HE       ARG  26  11.526   0.374   2.985
   87   1HH1  ARG  26          1HH1      ARG  26  14.785   1.604   2.869
   88   2HH1  ARG  26          2HH1      ARG  26  15.415   0.399   3.942
   89   1HH2  ARG  26          1HH2      ARG  26  12.349  -1.219   4.397
   90   2HH2  ARG  26          2HH2      ARG  26  14.031  -1.207   4.807
   91    H    THR  27           H        THR  27   9.147  -0.824  -0.001
   92    HA   THR  27           HA       THR  27   7.374  -0.187  -2.264
   93    HB   THR  27           HB       THR  27   7.783  -2.840  -0.867
   94    HG1  THR  27           1HG      THR  27   9.102  -1.591  -2.923
   95   1HG2  THR  27          1HG2      THR  27   6.223  -2.125  -3.353
   96   2HG2  THR  27          2HG2      THR  27   5.545  -2.639  -1.808
   97   3HG2  THR  27          3HG2      THR  27   6.510  -3.762  -2.766
   98    H    TYR  28           H        TYR  28   5.681   0.977  -1.509
   99    HA   TYR  28           HA       TYR  28   4.376   0.036   0.956
  100   1HB   TYR  28          2HB       TYR  28   3.787   2.210   1.501
  101   2HB   TYR  28          1HB       TYR  28   5.366   2.441   0.759
  102    HD1  TYR  28           1HD      TYR  28   1.776   3.029   0.448
  103    HD2  TYR  28           2HD      TYR  28   5.552   3.473  -1.461
  104    HE1  TYR  28           1HE      TYR  28   0.789   4.654  -1.113
  105    HE2  TYR  28           2HE      TYR  28   4.576   5.099  -3.026
  106    HH   TYR  28           HH       TYR  28   1.506   6.497  -2.560
  107    H    TYR  29           H        TYR  29   2.027   0.310   1.068
  108    HA   TYR  29           HA       TYR  29   0.711   0.092  -1.555
  109   1HB   TYR  29          2HB       TYR  29   0.300  -1.682   0.858
  110   2HB   TYR  29          1HB       TYR  29  -0.791  -1.644  -0.523
  111    HD1  TYR  29           1HD      TYR  29   2.724  -2.349   0.455
  112    HD2  TYR  29           2HD      TYR  29  -0.349  -2.942  -2.426
  113    HE1  TYR  29           1HE      TYR  29   4.119  -4.028  -0.678
  114    HE2  TYR  29           2HE      TYR  29   1.036  -4.623  -3.568
  115    HH   TYR  29           HH       TYR  29   3.352  -5.264  -3.779
  116    H    TYR  30           H        TYR  30  -1.409   0.866  -1.666
  117    HA   TYR  30           HA       TYR  30  -2.305   2.390   0.694
  118   1HB   TYR  30          2HB       TYR  30  -1.589   3.975  -0.949
  119   2HB   TYR  30          1HB       TYR  30  -2.440   3.126  -2.232
  120    HD1  TYR  30           1HD      TYR  30  -2.731   5.540   0.482
  121    HD2  TYR  30           2HD      TYR  30  -4.895   3.277  -2.402
  122    HE1  TYR  30           1HE      TYR  30  -4.682   6.997   0.808
  123    HE2  TYR  30           2HE      TYR  30  -6.853   4.731  -2.081
  124    HH   TYR  30           HH       TYR  30  -7.775   6.234  -0.385
  125    H    ASN  31           H        ASN  31  -4.178   1.752   1.501
  126    HA   ASN  31           HA       ASN  31  -5.807  -0.171   0.115
  127   1HB   ASN  31          2HB       ASN  31  -5.396  -0.253   2.575
  128   2HB   ASN  31          1HB       ASN  31  -6.337   1.224   2.746
  129   1HD2  ASN  31          1HD2      ASN  31  -6.452  -2.161   1.919
  130   2HD2  ASN  31          2HD2      ASN  31  -8.154  -2.356   2.129
  131    H    THR  32           H        THR  32  -7.236   0.402  -1.375
  132    HA   THR  32           HA       THR  32  -8.376   3.084  -1.344
  133    HB   THR  32           HB       THR  32  -7.487   2.321  -3.470
  134    HG1  THR  32           1HG      THR  32  -9.605   3.539  -3.266
  135   1HG2  THR  32          1HG2      THR  32  -7.798  -0.095  -3.141
  136   2HG2  THR  32          2HG2      THR  32  -8.468   0.444  -4.680
  137   3HG2  THR  32          3HG2      THR  32  -9.541   0.112  -3.322
  138    H    GLU  33           H        GLU  33  -9.153   0.419   0.221
  139    HA   GLU  33           HA       GLU  33 -12.003   0.358  -0.399
  140   1HB   GLU  33          2HB       GLU  33 -10.802  -1.762   0.015
  141   2HB   GLU  33          1HB       GLU  33 -10.413  -1.216   1.639
  142   1HG   GLU  33          2HG       GLU  33 -12.261  -2.753   1.710
  143   2HG   GLU  33          1HG       GLU  33 -12.806  -1.140   2.171
  144    H    THR  34           H        THR  34  -9.781   1.485   2.022
  145    HA   THR  34           HA       THR  34 -12.018   2.690   3.519
  146    HB   THR  34           HB       THR  34  -9.332   1.835   4.623
  147    HG1  THR  34           1HG      THR  34 -11.343   0.568   5.788
  148   1HG2  THR  34          1HG2      THR  34 -10.378   2.302   6.821
  149   2HG2  THR  34          2HG2      THR  34 -11.778   2.970   5.981
  150   3HG2  THR  34          3HG2      THR  34 -10.203   3.745   5.825
  151    H    LYS  35           H        LYS  35  -9.239   3.146   1.683
  152    HA   LYS  35           HA       LYS  35  -8.192   4.996   0.897
  153   1HB   LYS  35          2HB       LYS  35 -10.077   6.618   2.616
  154   2HB   LYS  35          1HB       LYS  35  -9.104   7.208   1.275
  155   1HG   LYS  35          2HG       LYS  35 -10.390   5.788  -0.263
  156   2HG   LYS  35          1HG       LYS  35 -11.385   5.250   1.091
  157   1HD   LYS  35          2HD       LYS  35 -11.106   8.116   0.183
  158   2HD   LYS  35          1HD       LYS  35 -12.445   7.048  -0.243
  159   1HE   LYS  35          2HE       LYS  35 -11.671   7.871   2.554
  160   2HE   LYS  35          1HE       LYS  35 -13.013   8.537   1.624
  161   1HZ   LYS  35          1HZ       LYS  35 -14.057   6.381   1.607
  162   2HZ   LYS  35          2HZ       LYS  35 -13.717   6.823   3.204
  163   3HZ   LYS  35          3HZ       LYS  35 -12.744   5.687   2.417
  164    H    GLN  36           H        GLN  36  -6.698   3.802   2.470
  165    HA   GLN  36           HA       GLN  36  -5.498   5.846   4.184
  166   1HB   GLN  36          2HB       GLN  36  -5.080   4.156   5.956
  167   2HB   GLN  36          1HB       GLN  36  -6.788   4.512   5.734
  168   1HG   GLN  36          2HG       GLN  36  -7.051   2.469   4.429
  169   2HG   GLN  36          1HG       GLN  36  -5.335   2.113   4.638
  170   1HE2  GLN  36          1HE2      GLN  36  -7.717   0.601   5.453
  171   2HE2  GLN  36          2HE2      GLN  36  -7.565   0.368   7.158
  172    H    SER  37           H        SER  37  -3.250   5.314   4.763
  173    HA   SER  37           HA       SER  37  -1.965   3.817   2.584
  174   1HB   SER  37          2HB       SER  37  -0.731   5.884   4.422
  175   2HB   SER  37          1HB       SER  37  -0.002   5.186   2.976
  176    HG   SER  37           HG       SER  37  -0.852   7.150   2.403
  177    H    THR  38           H        THR  38  -0.568   2.162   3.002
  178    HA   THR  38           HA       THR  38   0.088   1.570   5.796
  179    HB   THR  38           HB       THR  38  -1.973   0.301   5.209
  180    HG1  THR  38           1HG      THR  38   0.024  -0.506   6.524
  181   1HG2  THR  38          1HG2      THR  38  -0.154  -1.039   3.200
  182   2HG2  THR  38          2HG2      THR  38  -1.570  -0.052   2.838
  183   3HG2  THR  38          3HG2      THR  38  -1.761  -1.603   3.651
  184    H    TRP  39           H        TRP  39   1.842   0.099   6.080
  185    HA   TRP  39           HA       TRP  39   3.703   0.073   3.797
  186   1HB   TRP  39          2HB       TRP  39   4.117   0.058   6.781
  187   2HB   TRP  39          1HB       TRP  39   5.389  -0.456   5.683
  188    HD1  TRP  39           HD       TRP  39   3.987   2.585   7.276
  189    HE1  TRP  39           1HE      TRP  39   5.137   4.686   6.327
  190    HE3  TRP  39           3HE      TRP  39   6.350   0.463   3.275
  191    HZ2  TRP  39           2HZ      TRP  39   6.830   5.347   4.155
  192    HZ3  TRP  39           3HZ      TRP  39   7.714   1.895   1.811
  193    HH2  TRP  39           HH       TRP  39   7.953   4.278   2.245
  194    H    GLU  40           H        GLU  40   4.695  -1.765   3.134
  195    HA   GLU  40           HA       GLU  40   5.028  -3.973   2.747
  196   1HB   GLU  40          2HB       GLU  40   5.845  -3.896   5.105
  197   2HB   GLU  40          1HB       GLU  40   4.234  -4.363   5.635
  198   1HG   GLU  40          2HG       GLU  40   5.686  -6.282   5.604
  199   2HG   GLU  40          1HG       GLU  40   4.438  -6.453   4.369
  200    H    LYS  41           H        LYS  41   3.949  -5.799   2.112
  201    HA   LYS  41           HA       LYS  41   1.304  -5.634   1.396
  202   1HB   LYS  41          2HB       LYS  41   2.876  -8.154   1.958
  203   2HB   LYS  41          1HB       LYS  41   1.393  -8.070   1.020
  204   1HG   LYS  41          2HG       LYS  41   2.467  -6.777  -0.685
  205   2HG   LYS  41          1HG       LYS  41   3.931  -6.628   0.289
  206   1HD   LYS  41          2HD       LYS  41   2.812  -9.253  -0.689
  207   2HD   LYS  41          1HD       LYS  41   4.068  -8.340  -1.529
  208   1HE   LYS  41          2HE       LYS  41   5.481  -8.489   0.486
  209   2HE   LYS  41          1HE       LYS  41   4.235  -9.458   1.269
  210   1HZ   LYS  41          1HZ       LYS  41   4.509 -11.132  -0.454
  211   2HZ   LYS  41          2HZ       LYS  41   5.975 -10.845   0.340
  212   3HZ   LYS  41          3HZ       LYS  41   5.708 -10.201  -1.202
  213    HA   PRO  42           HA       PRO  42  -0.766  -6.405   5.276
  214   1HB   PRO  42          2HB       PRO  42  -3.297  -6.299   4.412
  215   2HB   PRO  42          1HB       PRO  42  -2.280  -4.854   4.472
  216   1HG   PRO  42          2HG       PRO  42  -2.994  -6.574   2.133
  217   2HG   PRO  42          1HG       PRO  42  -2.893  -4.808   2.234
  218   1HD   PRO  42          2HD       PRO  42  -0.917  -6.419   1.196
  219   2HD   PRO  42          1HD       PRO  42  -0.639  -4.799   1.865
  220    HA   PRO   5           HA       PRO   5  -1.756   8.072  -7.333
  221   1HB   PRO   5          2HB       PRO   5   0.259   9.839  -6.224
  222   2HB   PRO   5          1HB       PRO   5   0.387   8.754  -7.610
  223   1HG   PRO   5          2HG       PRO   5   0.413  11.474  -7.820
  224   2HG   PRO   5          1HG       PRO   5  -0.160  10.397  -9.108
  225   1HD   PRO   5          2HD       PRO   5  -1.740  11.970  -7.105
  226   2HD   PRO   5          1HD       PRO   5  -2.058  11.698  -8.834
  227    HA   PRO   6           HA       PRO   6  -2.922   8.116  -3.046
  228   1HB   PRO   6          2HB       PRO   6  -1.783   5.838  -2.219
  229   2HB   PRO   6          1HB       PRO   6  -3.140   5.836  -3.351
  230   1HG   PRO   6          2HG       PRO   6  -0.214   5.533  -3.902
  231   2HG   PRO   6          1HG       PRO   6  -1.577   4.615  -4.570
  232   1HD   PRO   6          2HD       PRO   6  -0.349   6.677  -5.886
  233   2HD   PRO   6          1HD       PRO   6  -2.046   6.224  -6.138
  234    HA   PRO   7           HA       PRO   7   0.534   9.850  -0.853
  235   1HB   PRO   7          2HB       PRO   7  -0.854   9.588   1.657
  236   2HB   PRO   7          1HB       PRO   7  -0.637  11.036   0.674
  237   1HG   PRO   7          2HG       PRO   7  -3.053   9.795   1.084
  238   2HG   PRO   7          1HG       PRO   7  -2.680  10.821  -0.310
  239   1HD   PRO   7          2HD       PRO   7  -2.725   7.834  -0.105
  240   2HD   PRO   7          1HD       PRO   7  -3.255   8.889  -1.437
  241    H    LEU   8           H        LEU   8   2.242   9.235   0.452
  242    HA   LEU   8           HA       LEU   8   2.510   6.412   0.927
  243   1HB   LEU   8          2HB       LEU   8   4.396   7.625   0.094
  244   2HB   LEU   8          1HB       LEU   8   4.294   8.798   1.393
  245    HG   LEU   8           HG       LEU   8   4.775   6.677   2.897
  246   1HD1  LEU   8          1HD1      LEU   8   6.601   5.488   1.304
  247   2HD1  LEU   8          2HD1      LEU   8   5.301   5.794   0.152
  248   3HD1  LEU   8          3HD1      LEU   8   4.988   4.853   1.612
  249   1HD2  LEU   8          1HD2      LEU   8   7.174   7.190   2.719
  250   2HD2  LEU   8          2HD2      LEU   8   6.185   8.648   2.790
  251   3HD2  LEU   8          3HD2      LEU   8   6.855   8.112   1.250
  252    HA   PRO   9           HA       PRO   9   1.342   6.541   5.229
  253   1HB   PRO   9          2HB       PRO   9   2.705   4.070   5.759
  254   2HB   PRO   9          1HB       PRO   9   0.981   4.332   5.515
  255   1HG   PRO   9          2HG       PRO   9   2.610   2.948   3.779
  256   2HG   PRO   9          1HG       PRO   9   1.078   3.713   3.328
  257   1HD   PRO   9          2HD       PRO   9   3.873   4.681   2.925
  258   2HD   PRO   9          1HD       PRO   9   2.462   4.825   1.856
  259    HA   PRO  10           HA       PRO  10   4.903   8.081   7.386
  260   1HB   PRO  10          2HB       PRO  10   3.588   7.396   9.920
  261   2HB   PRO  10          1HB       PRO  10   4.001   8.983   9.270
  262   1HG   PRO  10          2HG       PRO  10   1.452   8.128   9.441
  263   2HG   PRO  10          1HG       PRO  10   2.010   9.183   8.129
  264   1HD   PRO  10          2HD       PRO  10   1.531   6.226   8.109
  265   2HD   PRO  10          1HD       PRO  10   1.133   7.440   6.874
  Start of MODEL    2
    1    H    SER  15           H        SER  15  -9.957  -7.580  -2.338
    2    HA   SER  15           HA       SER  15  -7.085  -7.262  -2.864
    3   1HB   SER  15          2HB       SER  15  -7.921  -9.059  -4.317
    4   2HB   SER  15          1HB       SER  15  -9.187  -7.991  -4.921
    5    HG   SER  15           HG       SER  15  -7.139  -8.225  -6.186
    6    H    MET  16           H        MET  16  -8.076  -5.275  -1.635
    7    HA   MET  16           HA       MET  16  -8.793  -3.283  -3.683
    8   1HB   MET  16          2HB       MET  16  -9.602  -3.303  -0.768
    9   2HB   MET  16          1HB       MET  16 -10.002  -2.052  -1.934
   10   1HG   MET  16          2HG       MET  16 -10.902  -4.920  -2.048
   11   2HG   MET  16          1HG       MET  16 -11.881  -3.545  -1.539
   12   1HE   MET  16          1HE       MET  16 -13.778  -4.188  -3.247
   13   2HE   MET  16          2HE       MET  16 -12.846  -5.589  -3.774
   14   3HE   MET  16          3HE       MET  16 -13.505  -4.469  -4.966
   15    H    TRP  17           H        TRP  17  -6.249  -3.553  -3.599
   16    HA   TRP  17           HA       TRP  17  -5.271  -1.330  -1.948
   17   1HB   TRP  17          2HB       TRP  17  -3.673  -3.857  -2.368
   18   2HB   TRP  17          1HB       TRP  17  -3.289  -2.507  -1.308
   19    HD1  TRP  17           HD       TRP  17  -5.828  -5.411  -1.583
   20    HE1  TRP  17           1HE      TRP  17  -6.603  -6.018   0.795
   21    HE3  TRP  17           3HE      TRP  17  -3.428  -1.721   1.020
   22    HZ2  TRP  17           2HZ      TRP  17  -6.241  -5.065   3.425
   23    HZ3  TRP  17           3HZ      TRP  17  -3.693  -1.644   3.466
   24    HH2  TRP  17           HH       TRP  17  -5.069  -3.281   4.638
   25    H    THR  18           H        THR  18  -3.374  -0.297  -2.774
   26    HA   THR  18           HA       THR  18  -2.932  -0.775  -5.648
   27    HB   THR  18           HB       THR  18  -2.455   1.569  -5.948
   28    HG1  THR  18           1HG      THR  18  -1.809   1.590  -3.466
   29   1HG2  THR  18          1HG2      THR  18  -4.804   0.971  -6.078
   30   2HG2  THR  18          2HG2      THR  18  -4.634   2.574  -5.362
   31   3HG2  THR  18          3HG2      THR  18  -4.981   1.182  -4.337
   32    H    GLU  19           H        GLU  19  -0.817  -0.787  -6.398
   33    HA   GLU  19           HA       GLU  19   1.206  -1.053  -4.287
   34   1HB   GLU  19          2HB       GLU  19   0.805  -3.018  -5.743
   35   2HB   GLU  19          1HB       GLU  19   1.294  -2.061  -7.135
   36   1HG   GLU  19          2HG       GLU  19   3.514  -1.753  -6.078
   37   2HG   GLU  19          1HG       GLU  19   3.008  -2.843  -4.787
   38    H    HIS  20           H        HIS  20   2.717   0.409  -4.068
   39    HA   HIS  20           HA       HIS  20   3.710   1.884  -6.376
   40   1HB   HIS  20          2HB       HIS  20   2.482   3.164  -3.937
   41   2HB   HIS  20          1HB       HIS  20   3.599   4.025  -4.990
   42    HD1  HIS  20           1HD      HIS  20   2.756   4.605  -7.389
   43    HD2  HIS  20           2HD      HIS  20  -0.096   2.840  -4.934
   44    HE1  HIS  20           1HE      HIS  20   0.555   4.966  -8.549
   45    HE2  HIS  20           2HE      HIS  20  -1.159   3.895  -7.043
   46    H    LYS  21           H        LYS  21   5.681   3.236  -5.695
   47    HA   LYS  21           HA       LYS  21   7.166   1.713  -3.658
   48   1HB   LYS  21          2HB       LYS  21   8.168   2.915  -6.240
   49   2HB   LYS  21          1HB       LYS  21   9.207   2.217  -5.003
   50   1HG   LYS  21          2HG       LYS  21   8.107   0.057  -5.294
   51   2HG   LYS  21          1HG       LYS  21   7.062   0.756  -6.533
   52   1HD   LYS  21          2HD       LYS  21   9.009   1.242  -7.917
   53   2HD   LYS  21          1HD       LYS  21  10.073   0.591  -6.668
   54   1HE   LYS  21          2HE       LYS  21   9.038  -1.603  -6.919
   55   2HE   LYS  21          1HE       LYS  21   7.948  -0.959  -8.145
   56   1HZ   LYS  21          1HZ       LYS  21   9.867  -0.471  -9.536
   57   2HZ   LYS  21          2HZ       LYS  21   9.812  -2.115  -9.147
   58   3HZ   LYS  21          3HZ       LYS  21  10.909  -1.098  -8.358
   59    H    SER  22           H        SER  22   7.522   2.857  -1.912
   60    HA   SER  22           HA       SER  22   7.282   5.555  -1.518
   61   1HB   SER  22          2HB       SER  22   7.456   4.010   0.339
   62   2HB   SER  22          1HB       SER  22   9.109   3.596  -0.109
   63    HG   SER  22           HG       SER  22   9.814   5.432   0.713
   64    HA   PRO  23           HA       PRO  23  10.637   7.527  -3.585
   65   1HB   PRO  23          2HB       PRO  23  10.718   9.454  -1.349
   66   2HB   PRO  23          1HB       PRO  23  10.377   9.729  -3.059
   67   1HG   PRO  23          2HG       PRO  23   8.431   9.858  -1.234
   68   2HG   PRO  23          1HG       PRO  23   8.138   9.162  -2.840
   69   1HD   PRO  23          2HD       PRO  23   8.639   7.766  -0.234
   70   2HD   PRO  23          1HD       PRO  23   7.436   7.398  -1.486
   71    H    ASP  24           H        ASP  24  10.937   6.437  -0.323
   72    HA   ASP  24           HA       ASP  24  13.773   7.014  -0.169
   73   1HB   ASP  24          2HB       ASP  24  12.236   7.074   1.832
   74   2HB   ASP  24          1HB       ASP  24  12.117   5.321   1.712
   75    H    GLY  25           H        GLY  25  12.307   5.060  -2.092
   76   1HA   GLY  25          2HA       GLY  25  13.121   3.254  -3.293
   77   2HA   GLY  25          1HA       GLY  25  14.448   3.129  -2.145
   78    H    ARG  26           H        ARG  26  10.988   3.107  -1.424
   79    HA   ARG  26           HA       ARG  26  11.277   0.306  -0.535
   80   1HB   ARG  26          2HB       ARG  26   9.286   2.002   0.854
   81   2HB   ARG  26          1HB       ARG  26  10.303   0.716   1.485
   82   1HG   ARG  26          2HG       ARG  26  11.313   3.458   0.785
   83   2HG   ARG  26          1HG       ARG  26  10.785   2.981   2.398
   84   1HD   ARG  26          2HD       ARG  26  12.996   1.652   0.833
   85   2HD   ARG  26          1HD       ARG  26  13.236   2.850   2.103
   86    HE   ARG  26           HE       ARG  26  11.673   0.693   3.059
   87   1HH1  ARG  26          1HH1      ARG  26  14.941   1.544   2.196
   88   2HH1  ARG  26          2HH1      ARG  26  15.661   0.405   3.283
   89   1HH2  ARG  26          1HH2      ARG  26  12.612  -0.809   4.493
   90   2HH2  ARG  26          2HH2      ARG  26  14.337  -0.933   4.590
   91    H    THR  27           H        THR  27   9.114  -0.801  -0.302
   92    HA   THR  27           HA       THR  27   7.345   0.031  -2.509
   93    HB   THR  27           HB       THR  27   7.760  -2.750  -1.384
   94    HG1  THR  27           1HG      THR  27   9.082  -3.072  -3.060
   95   1HG2  THR  27          1HG2      THR  27   6.112  -1.778  -3.723
   96   2HG2  THR  27          2HG2      THR  27   5.495  -2.457  -2.217
   97   3HG2  THR  27          3HG2      THR  27   6.417  -3.469  -3.330
   98    H    TYR  28           H        TYR  28   5.642   1.088  -1.660
   99    HA   TYR  28           HA       TYR  28   4.436  -0.001   0.795
  100   1HB   TYR  28          2HB       TYR  28   3.771   2.146   1.429
  101   2HB   TYR  28          1HB       TYR  28   5.371   2.401   0.743
  102    HD1  TYR  28           1HD      TYR  28   1.791   3.010   0.341
  103    HD2  TYR  28           2HD      TYR  28   5.633   3.546  -1.407
  104    HE1  TYR  28           1HE      TYR  28   0.857   4.710  -1.171
  105    HE2  TYR  28           2HE      TYR  28   4.711   5.248  -2.925
  106    HH   TYR  28           HH       TYR  28   1.568   6.576  -2.519
  107    H    TYR  29           H        TYR  29   2.058   0.351   0.996
  108    HA   TYR  29           HA       TYR  29   0.682   0.144  -1.596
  109   1HB   TYR  29          2HB       TYR  29   0.318  -1.665   0.799
  110   2HB   TYR  29          1HB       TYR  29  -0.773  -1.628  -0.582
  111    HD1  TYR  29           1HD      TYR  29  -0.302  -2.882  -2.514
  112    HD2  TYR  29           2HD      TYR  29   2.745  -2.296   0.395
  113    HE1  TYR  29           1HE      TYR  29   1.122  -4.511  -3.685
  114    HE2  TYR  29           2HE      TYR  29   4.178  -3.920  -0.766
  115    HH   TYR  29           HH       TYR  29   3.952  -5.803  -2.309
  116    H    TYR  30           H        TYR  30  -1.580   0.670  -1.539
  117    HA   TYR  30           HA       TYR  30  -2.368   2.263   0.814
  118   1HB   TYR  30          2HB       TYR  30  -1.706   3.838  -0.869
  119   2HB   TYR  30          1HB       TYR  30  -2.633   2.997  -2.101
  120    HD1  TYR  30           1HD      TYR  30  -2.726   5.464   0.554
  121    HD2  TYR  30           2HD      TYR  30  -5.116   3.119  -2.071
  122    HE1  TYR  30           1HE      TYR  30  -4.637   6.943   0.984
  123    HE2  TYR  30           2HE      TYR  30  -7.039   4.593  -1.644
  124    HH   TYR  30           HH       TYR  30  -6.741   7.599  -0.090
  125    H    ASN  31           H        ASN  31  -4.267   1.733   1.648
  126    HA   ASN  31           HA       ASN  31  -5.919  -0.253   0.375
  127   1HB   ASN  31          2HB       ASN  31  -5.435  -0.096   2.871
  128   2HB   ASN  31          1HB       ASN  31  -6.537   1.276   2.906
  129   1HD2  ASN  31          1HD2      ASN  31  -6.745  -1.283   4.249
  130   2HD2  ASN  31          2HD2      ASN  31  -8.232  -1.990   3.721
  131    H    THR  32           H        THR  32  -7.446   0.228  -1.072
  132    HA   THR  32           HA       THR  32  -8.435   2.947  -1.289
  133    HB   THR  32           HB       THR  32  -7.822   1.747  -3.338
  134    HG1  THR  32           1HG      THR  32  -9.302   3.125  -3.998
  135   1HG2  THR  32          1HG2      THR  32 -10.114  -0.085  -2.618
  136   2HG2  THR  32          2HG2      THR  32  -8.408  -0.521  -2.699
  137   3HG2  THR  32          3HG2      THR  32  -9.273  -0.073  -4.167
  138    H    GLU  33           H        GLU  33  -9.467  -0.058   0.032
  139    HA   GLU  33           HA       GLU  33 -12.282   0.481  -0.058
  140   1HB   GLU  33          2HB       GLU  33 -11.410  -1.815   0.075
  141   2HB   GLU  33          1HB       GLU  33 -10.727  -1.465   1.659
  142   1HG   GLU  33          2HG       GLU  33 -12.793  -2.714   1.861
  143   2HG   GLU  33          1HG       GLU  33 -12.965  -1.101   2.552
  144    H    THR  34           H        THR  34  -9.798   0.621   2.479
  145    HA   THR  34           HA       THR  34 -11.644   1.929   4.306
  146    HB   THR  34           HB       THR  34  -8.707   1.329   4.711
  147    HG1  THR  34           1HG      THR  34 -10.798  -0.351   4.572
  148   1HG2  THR  34          1HG2      THR  34 -10.930   1.920   6.671
  149   2HG2  THR  34          2HG2      THR  34  -9.593   2.993   6.257
  150   3HG2  THR  34          3HG2      THR  34  -9.277   1.477   7.100
  151    H    LYS  35           H        LYS  35  -9.240   2.730   2.014
  152    HA   LYS  35           HA       LYS  35  -8.447   4.702   1.223
  153   1HB   LYS  35          2HB       LYS  35 -10.398   6.010   3.130
  154   2HB   LYS  35          1HB       LYS  35  -9.586   6.786   1.776
  155   1HG   LYS  35          2HG       LYS  35 -10.773   5.323   0.222
  156   2HG   LYS  35          1HG       LYS  35 -11.585   4.543   1.580
  157   1HD   LYS  35          2HD       LYS  35 -12.614   6.677   2.193
  158   2HD   LYS  35          1HD       LYS  35 -11.791   7.463   0.844
  159   1HE   LYS  35          2HE       LYS  35 -14.104   6.955   0.275
  160   2HE   LYS  35          1HE       LYS  35 -12.990   6.029  -0.729
  161   1HZ   LYS  35          1HZ       LYS  35 -13.350   4.118   0.723
  162   2HZ   LYS  35          2HZ       LYS  35 -14.803   4.650   0.041
  163   3HZ   LYS  35          3HZ       LYS  35 -14.445   5.011   1.654
  164    H    GLN  36           H        GLN  36  -6.637   3.749   2.563
  165    HA   GLN  36           HA       GLN  36  -5.521   5.885   4.175
  166   1HB   GLN  36          2HB       GLN  36  -4.908   4.313   6.015
  167   2HB   GLN  36          1HB       GLN  36  -6.635   4.625   5.894
  168   1HG   GLN  36          2HG       GLN  36  -6.967   2.509   4.767
  169   2HG   GLN  36          1HG       GLN  36  -5.232   2.200   4.795
  170   1HE2  GLN  36          1HE2      GLN  36  -4.909   3.306   7.475
  171   2HE2  GLN  36          2HE2      GLN  36  -5.561   2.131   8.562
  172    H    SER  37           H        SER  37  -3.213   5.409   4.741
  173    HA   SER  37           HA       SER  37  -1.969   3.917   2.534
  174   1HB   SER  37          2HB       SER  37  -0.707   6.006   4.329
  175   2HB   SER  37          1HB       SER  37  -0.022   5.319   2.855
  176    HG   SER  37           HG       SER  37  -1.507   6.398   1.652
  177    H    THR  38           H        THR  38  -0.636   2.222   2.924
  178    HA   THR  38           HA       THR  38   0.090   1.648   5.713
  179    HB   THR  38           HB       THR  38  -1.903   0.336   5.243
  180    HG1  THR  38           1HG      THR  38  -0.200  -1.764   5.059
  181   1HG2  THR  38          1HG2      THR  38  -1.772   0.229   2.821
  182   2HG2  THR  38          2HG2      THR  38  -1.868  -1.402   3.487
  183   3HG2  THR  38          3HG2      THR  38  -0.323  -0.769   2.918
  184    H    TRP  39           H        TRP  39   1.849   0.207   6.004
  185    HA   TRP  39           HA       TRP  39   3.728   0.167   3.735
  186   1HB   TRP  39          2HB       TRP  39   4.126   0.104   6.726
  187   2HB   TRP  39          1HB       TRP  39   5.409  -0.330   5.604
  188    HD1  TRP  39           HD       TRP  39   3.803   2.640   7.215
  189    HE1  TRP  39           1HE      TRP  39   4.912   4.795   6.333
  190    HE3  TRP  39           3HE      TRP  39   6.459   0.641   3.347
  191    HZ2  TRP  39           2HZ      TRP  39   6.685   5.538   4.246
  192    HZ3  TRP  39           3HZ      TRP  39   7.837   2.128   1.964
  193    HH2  TRP  39           HH       TRP  39   7.951   4.522   2.413
  194    H    GLU  40           H        GLU  40   5.176  -1.736   3.623
  195    HA   GLU  40           HA       GLU  40   5.558  -3.965   3.409
  196   1HB   GLU  40          2HB       GLU  40   5.471  -3.933   5.879
  197   2HB   GLU  40          1HB       GLU  40   3.739  -4.224   5.811
  198   1HG   GLU  40          2HG       GLU  40   4.153  -6.374   4.714
  199   2HG   GLU  40          1HG       GLU  40   5.889  -6.084   4.819
  200    H    LYS  41           H        LYS  41   4.772  -5.548   2.141
  201    HA   LYS  41           HA       LYS  41   2.255  -5.201   0.903
  202   1HB   LYS  41          2HB       LYS  41   2.781  -7.333  -0.253
  203   2HB   LYS  41          1HB       LYS  41   4.096  -6.168  -0.326
  204   1HG   LYS  41          2HG       LYS  41   5.275  -7.350   1.434
  205   2HG   LYS  41          1HG       LYS  41   3.937  -8.490   1.586
  206   1HD   LYS  41          2HD       LYS  41   4.306  -9.240  -0.707
  207   2HD   LYS  41          1HD       LYS  41   5.624  -8.081  -0.884
  208   1HE   LYS  41          2HE       LYS  41   6.458 -10.337  -0.424
  209   2HE   LYS  41          1HE       LYS  41   6.878  -9.211   0.865
  210   1HZ   LYS  41          1HZ       LYS  41   4.635 -11.159   0.926
  211   2HZ   LYS  41          2HZ       LYS  41   5.024 -10.073   2.163
  212   3HZ   LYS  41          3HZ       LYS  41   6.102 -11.310   1.757
  213    HA   PRO  42           HA       PRO  42  -0.208  -7.548   3.783
  214   1HB   PRO  42          2HB       PRO  42  -2.520  -7.592   2.418
  215   2HB   PRO  42          1HB       PRO  42  -1.900  -6.106   3.146
  216   1HG   PRO  42          2HG       PRO  42  -1.770  -7.017   0.298
  217   2HG   PRO  42          1HG       PRO  42  -2.129  -5.405   0.943
  218   1HD   PRO  42          2HD       PRO  42   0.323  -6.149  -0.026
  219   2HD   PRO  42          1HD       PRO  42   0.086  -4.879   1.190
  220    HA   PRO   5           HA       PRO   5  -2.208   7.585  -7.377
  221   1HB   PRO   5          2HB       PRO   5   0.010   8.933  -6.646
  222   2HB   PRO   5          1HB       PRO   5  -0.372   8.602  -8.340
  223   1HG   PRO   5          2HG       PRO   5  -0.788  11.112  -6.762
  224   2HG   PRO   5          1HG       PRO   5  -0.171  10.918  -8.414
  225   1HD   PRO   5          2HD       PRO   5  -2.744  11.620  -7.850
  226   2HD   PRO   5          1HD       PRO   5  -2.277  10.727  -9.310
  227    HA   PRO   6           HA       PRO   6  -3.082   7.919  -3.045
  228   1HB   PRO   6          2HB       PRO   6  -1.429   5.602  -2.531
  229   2HB   PRO   6          1HB       PRO   6  -3.186   5.731  -2.554
  230   1HG   PRO   6          2HG       PRO   6  -1.779   4.337  -4.411
  231   2HG   PRO   6          1HG       PRO   6  -3.340   5.106  -4.748
  232   1HD   PRO   6          2HD       PRO   6  -0.576   6.090  -5.374
  233   2HD   PRO   6          1HD       PRO   6  -2.035   6.111  -6.390
  234    HA   PRO   7           HA       PRO   7   0.429   9.790  -1.070
  235   1HB   PRO   7          2HB       PRO   7  -0.895   9.619   1.486
  236   2HB   PRO   7          1HB       PRO   7  -0.721  11.026   0.437
  237   1HG   PRO   7          2HG       PRO   7  -3.111   9.791   0.957
  238   2HG   PRO   7          1HG       PRO   7  -2.777  10.729  -0.509
  239   1HD   PRO   7          2HD       PRO   7  -2.751   7.756  -0.110
  240   2HD   PRO   7          1HD       PRO   7  -3.367   8.710  -1.480
  241    H    LEU   8           H        LEU   8   2.177   9.261   0.261
  242    HA   LEU   8           HA       LEU   8   2.497   6.457   0.806
  243   1HB   LEU   8          2HB       LEU   8   4.375   7.677  -0.033
  244   2HB   LEU   8          1HB       LEU   8   4.229   8.892   1.224
  245    HG   LEU   8           HG       LEU   8   4.724   6.805   2.795
  246   1HD1  LEU   8          1HD1      LEU   8   6.652   5.659   1.309
  247   2HD1  LEU   8          2HD1      LEU   8   5.418   5.919   0.079
  248   3HD1  LEU   8          3HD1      LEU   8   5.042   4.978   1.524
  249   1HD2  LEU   8          1HD2      LEU   8   7.091   7.428   2.713
  250   2HD2  LEU   8          2HD2      LEU   8   6.042   8.846   2.691
  251   3HD2  LEU   8          3HD2      LEU   8   6.809   8.293   1.203
  252    HA   PRO   9           HA       PRO   9   1.279   6.666   5.086
  253   1HB   PRO   9          2HB       PRO   9   2.645   4.230   5.712
  254   2HB   PRO   9          1HB       PRO   9   0.930   4.463   5.392
  255   1HG   PRO   9          2HG       PRO   9   2.673   3.072   3.758
  256   2HG   PRO   9          1HG       PRO   9   1.119   3.750   3.247
  257   1HD   PRO   9          2HD       PRO   9   3.878   4.805   2.844
  258   2HD   PRO   9          1HD       PRO   9   2.468   4.888   1.771
  259    HA   PRO  10           HA       PRO  10   4.829   8.220   7.250
  260   1HB   PRO  10          2HB       PRO  10   3.853   8.353   9.759
  261   2HB   PRO  10          1HB       PRO  10   3.306   9.445   8.480
  262   1HG   PRO  10          2HG       PRO  10   2.001   6.971   9.549
  263   2HG   PRO  10          1HG       PRO  10   1.268   8.531   9.133
  264   1HD   PRO  10          2HD       PRO  10   1.195   6.348   7.493
  265   2HD   PRO  10          1HD       PRO  10   1.153   8.020   6.898
  Start of MODEL    3
    1    H    SER  15           H        SER  15  -9.398  -6.591   0.346
    2    HA   SER  15           HA       SER  15  -7.902  -7.145  -2.073
    3   1HB   SER  15          2HB       SER  15 -10.929  -7.157  -2.087
    4   2HB   SER  15          1HB       SER  15  -9.903  -7.186  -3.522
    5    HG   SER  15           HG       SER  15  -9.083  -9.185  -2.816
    6    H    MET  16           H        MET  16  -8.799  -5.504  -3.853
    7    HA   MET  16           HA       MET  16  -8.911  -3.342  -4.531
    8   1HB   MET  16          2HB       MET  16 -10.249  -2.827  -1.873
    9   2HB   MET  16          1HB       MET  16 -10.333  -1.812  -3.304
   10   1HG   MET  16          2HG       MET  16 -11.457  -3.680  -4.493
   11   2HG   MET  16          1HG       MET  16 -11.488  -4.567  -2.969
   12   1HE   MET  16          1HE       MET  16 -15.235  -3.553  -3.346
   13   2HE   MET  16          2HE       MET  16 -14.107  -4.871  -3.023
   14   3HE   MET  16          3HE       MET  16 -14.119  -4.087  -4.603
   15    H    TRP  17           H        TRP  17  -6.515  -3.627  -4.124
   16    HA   TRP  17           HA       TRP  17  -5.601  -1.532  -2.263
   17   1HB   TRP  17          2HB       TRP  17  -4.335  -4.213  -2.834
   18   2HB   TRP  17          1HB       TRP  17  -3.468  -2.891  -2.064
   19    HD1  TRP  17           HD       TRP  17  -6.439  -5.264  -1.426
   20    HE1  TRP  17           1HE      TRP  17  -6.779  -5.453   1.118
   21    HE3  TRP  17           3HE      TRP  17  -3.031  -1.774   0.114
   22    HZ2  TRP  17           2HZ      TRP  17  -5.739  -4.281   3.466
   23    HZ3  TRP  17           3HZ      TRP  17  -2.767  -1.372   2.523
   24    HH2  TRP  17           HH       TRP  17  -4.093  -2.598   4.164
   25    H    THR  18           H        THR  18  -3.447  -0.643  -2.857
   26    HA   THR  18           HA       THR  18  -2.950  -0.721  -5.760
   27    HB   THR  18           HB       THR  18  -2.457   1.679  -5.748
   28    HG1  THR  18           1HG      THR  18  -2.497   2.838  -3.935
   29   1HG2  THR  18          1HG2      THR  18  -4.755   2.524  -5.421
   30   2HG2  THR  18          2HG2      THR  18  -5.177   1.009  -4.622
   31   3HG2  THR  18          3HG2      THR  18  -4.719   1.008  -6.324
   32    H    GLU  19           H        GLU  19  -0.826  -0.789  -6.370
   33    HA   GLU  19           HA       GLU  19   1.125  -1.015  -4.185
   34   1HB   GLU  19          2HB       GLU  19   0.865  -3.009  -5.567
   35   2HB   GLU  19          1HB       GLU  19   1.226  -2.075  -7.013
   36   1HG   GLU  19          2HG       GLU  19   3.479  -1.638  -6.152
   37   2HG   GLU  19          1HG       GLU  19   3.111  -2.608  -4.726
   38    H    HIS  20           H        HIS  20   2.738   0.378  -3.975
   39    HA   HIS  20           HA       HIS  20   3.711   1.900  -6.260
   40   1HB   HIS  20          2HB       HIS  20   2.487   3.163  -3.808
   41   2HB   HIS  20          1HB       HIS  20   3.604   4.028  -4.856
   42    HD1  HIS  20           1HD      HIS  20   2.749   4.690  -7.211
   43    HD2  HIS  20           2HD      HIS  20  -0.085   2.800  -4.833
   44    HE1  HIS  20           1HE      HIS  20   0.547   5.064  -8.366
   45    HE2  HIS  20           2HE      HIS  20  -1.164   3.999  -6.853
   46    H    LYS  21           H        LYS  21   5.729   3.111  -5.710
   47    HA   LYS  21           HA       LYS  21   7.180   1.730  -3.547
   48   1HB   LYS  21          2HB       LYS  21   8.262   2.680  -6.203
   49   2HB   LYS  21          1HB       LYS  21   9.215   1.940  -4.921
   50   1HG   LYS  21          2HG       LYS  21   7.926  -0.121  -5.147
   51   2HG   LYS  21          1HG       LYS  21   6.963   0.621  -6.426
   52   1HD   LYS  21          2HD       LYS  21   8.631  -0.729  -7.470
   53   2HD   LYS  21          1HD       LYS  21   9.089   0.957  -7.709
   54   1HE   LYS  21          2HE       LYS  21  11.030  -0.368  -7.102
   55   2HE   LYS  21          1HE       LYS  21  10.653   0.788  -5.825
   56   1HZ   LYS  21          1HZ       LYS  21   9.572  -0.988  -4.590
   57   2HZ   LYS  21          2HZ       LYS  21  11.181  -1.390  -4.923
   58   3HZ   LYS  21          3HZ       LYS  21   9.932  -2.095  -5.818
   59    H    SER  22           H        SER  22   7.489   3.083  -1.915
   60    HA   SER  22           HA       SER  22   7.419   5.833  -1.916
   61   1HB   SER  22          2HB       SER  22   7.391   4.368   0.107
   62   2HB   SER  22          1HB       SER  22   9.121   4.118  -0.099
   63    HG   SER  22           HG       SER  22   9.433   6.336   0.208
   64    HA   PRO  23           HA       PRO  23  11.034   7.308  -3.962
   65   1HB   PRO  23          2HB       PRO  23  11.162   9.383  -1.850
   66   2HB   PRO  23          1HB       PRO  23  11.028   9.565  -3.603
   67   1HG   PRO  23          2HG       PRO  23   8.936  10.035  -2.018
   68   2HG   PRO  23          1HG       PRO  23   8.732   9.244  -3.593
   69   1HD   PRO  23          2HD       PRO  23   8.756   8.036  -0.853
   70   2HD   PRO  23          1HD       PRO  23   7.716   7.656  -2.240
   71    H    ASP  24           H        ASP  24  11.075   6.535  -0.584
   72    HA   ASP  24           HA       ASP  24  13.922   6.860  -0.282
   73   1HB   ASP  24          2HB       ASP  24  11.878   5.503   1.494
   74   2HB   ASP  24          1HB       ASP  24  13.564   5.774   1.926
   75    H    GLY  25           H        GLY  25  12.422   4.898  -2.209
   76   1HA   GLY  25          2HA       GLY  25  13.166   2.987  -3.281
   77   2HA   GLY  25          1HA       GLY  25  14.455   2.863  -2.092
   78    H    ARG  26           H        ARG  26  11.051   3.123  -1.305
   79    HA   ARG  26           HA       ARG  26  11.149   0.362  -0.277
   80   1HB   ARG  26          2HB       ARG  26   9.673   2.742   0.821
   81   2HB   ARG  26          1HB       ARG  26   9.488   1.098   1.408
   82   1HG   ARG  26          2HG       ARG  26  11.859   2.909   1.629
   83   2HG   ARG  26          1HG       ARG  26  10.949   2.094   2.892
   84   1HD   ARG  26          2HD       ARG  26  11.783  -0.081   1.998
   85   2HD   ARG  26          1HD       ARG  26  12.827   0.835   0.913
   86    HE   ARG  26           HE       ARG  26  13.270   1.723   3.529
   87   1HH1  ARG  26          1HH1      ARG  26  13.759  -1.120   1.572
   88   2HH1  ARG  26          2HH1      ARG  26  15.149  -1.648   2.461
   89   1HH2  ARG  26          1HH2      ARG  26  15.099   1.031   4.705
   90   2HH2  ARG  26          2HH2      ARG  26  15.909  -0.429   4.240
   91    H    THR  27           H        THR  27   8.965  -0.661  -0.078
   92    HA   THR  27           HA       THR  27   7.260   0.124  -2.354
   93    HB   THR  27           HB       THR  27   7.563  -2.654  -1.191
   94    HG1  THR  27           1HG      THR  27   9.375  -1.539  -2.511
   95   1HG2  THR  27          1HG2      THR  27   5.399  -2.202  -2.282
   96   2HG2  THR  27          2HG2      THR  27   6.360  -3.375  -3.181
   97   3HG2  THR  27          3HG2      THR  27   6.253  -1.708  -3.743
   98    H    TYR  28           H        TYR  28   5.601   1.241  -1.482
   99    HA   TYR  28           HA       TYR  28   4.337   0.149   0.939
  100   1HB   TYR  28          2HB       TYR  28   3.642   2.305   1.536
  101   2HB   TYR  28          1HB       TYR  28   5.268   2.546   0.907
  102    HD1  TYR  28           1HD      TYR  28   5.597   3.620  -1.293
  103    HD2  TYR  28           2HD      TYR  28   1.725   3.227   0.428
  104    HE1  TYR  28           1HE      TYR  28   4.738   5.320  -2.849
  105    HE2  TYR  28           2HE      TYR  28   0.856   4.923  -1.125
  106    HH   TYR  28           HH       TYR  28   1.623   6.737  -2.499
  107    H    TYR  29           H        TYR  29   1.991   0.307   1.096
  108    HA   TYR  29           HA       TYR  29   0.663   0.172  -1.529
  109   1HB   TYR  29          2HB       TYR  29   0.292  -1.711   0.809
  110   2HB   TYR  29          1HB       TYR  29  -0.745  -1.678  -0.614
  111    HD1  TYR  29           1HD      TYR  29  -0.217  -2.996  -2.458
  112    HD2  TYR  29           2HD      TYR  29   2.818  -2.122   0.392
  113    HE1  TYR  29           1HE      TYR  29   1.304  -4.552  -3.607
  114    HE2  TYR  29           2HE      TYR  29   4.345  -3.673  -0.747
  115    HH   TYR  29           HH       TYR  29   3.704  -4.951  -3.836
  116    H    TYR  30           H        TYR  30  -1.568   0.707  -1.548
  117    HA   TYR  30           HA       TYR  30  -2.542   2.116   0.846
  118   1HB   TYR  30          2HB       TYR  30  -1.717   3.817  -0.641
  119   2HB   TYR  30          1HB       TYR  30  -2.548   3.096  -2.011
  120    HD1  TYR  30           1HD      TYR  30  -5.068   3.179  -2.079
  121    HD2  TYR  30           2HD      TYR  30  -2.788   5.407   0.734
  122    HE1  TYR  30           1HE      TYR  30  -7.002   4.649  -1.686
  123    HE2  TYR  30           2HE      TYR  30  -4.712   6.879   1.140
  124    HH   TYR  30           HH       TYR  30  -7.846   6.144   0.090
  125    H    ASN  31           H        ASN  31  -4.485   1.428   1.460
  126    HA   ASN  31           HA       ASN  31  -6.019  -0.320  -0.272
  127   1HB   ASN  31          2HB       ASN  31  -5.735  -0.910   2.095
  128   2HB   ASN  31          1HB       ASN  31  -6.532   0.585   2.572
  129   1HD2  ASN  31          1HD2      ASN  31  -8.170  -0.453   3.659
  130   2HD2  ASN  31          2HD2      ASN  31  -9.417  -1.336   2.852
  131    H    THR  32           H        THR  32  -7.856   0.199  -1.327
  132    HA   THR  32           HA       THR  32  -8.711   2.990  -1.190
  133    HB   THR  32           HB       THR  32  -8.312   2.315  -3.420
  134    HG1  THR  32           1HG      THR  32 -10.137   3.494  -3.507
  135   1HG2  THR  32          1HG2      THR  32  -9.516   0.367  -4.434
  136   2HG2  THR  32          2HG2      THR  32 -10.020  -0.092  -2.807
  137   3HG2  THR  32          3HG2      THR  32  -8.308  -0.068  -3.226
  138    H    GLU  33           H        GLU  33  -9.647   0.004   0.065
  139    HA   GLU  33           HA       GLU  33 -12.478   0.321   0.005
  140   1HB   GLU  33          2HB       GLU  33 -10.574  -1.410   1.539
  141   2HB   GLU  33          1HB       GLU  33 -12.247  -1.301   2.067
  142   1HG   GLU  33          2HG       GLU  33 -12.969  -2.021  -0.176
  143   2HG   GLU  33          1HG       GLU  33 -11.276  -2.207  -0.631
  144    H    THR  34           H        THR  34 -10.247   0.502   2.771
  145    HA   THR  34           HA       THR  34 -12.122   2.170   4.224
  146    HB   THR  34           HB       THR  34  -9.389   1.142   5.019
  147    HG1  THR  34           1HG      THR  34 -10.547  -0.415   6.145
  148   1HG2  THR  34          1HG2      THR  34 -11.529   2.506   6.652
  149   2HG2  THR  34          2HG2      THR  34  -9.920   3.130   6.289
  150   3HG2  THR  34          3HG2      THR  34 -10.102   1.714   7.322
  151    H    LYS  35           H        LYS  35  -9.489   2.538   2.134
  152    HA   LYS  35           HA       LYS  35  -8.446   4.359   1.265
  153   1HB   LYS  35          2HB       LYS  35 -10.227   6.029   3.045
  154   2HB   LYS  35          1HB       LYS  35  -9.336   6.577   1.632
  155   1HG   LYS  35          2HG       LYS  35 -10.726   5.235   0.185
  156   2HG   LYS  35          1HG       LYS  35 -11.566   4.553   1.579
  157   1HD   LYS  35          2HD       LYS  35 -11.535   7.485   0.857
  158   2HD   LYS  35          1HD       LYS  35 -12.832   6.364   0.440
  159   1HE   LYS  35          2HE       LYS  35 -13.277   5.949   2.782
  160   2HE   LYS  35          1HE       LYS  35 -11.908   6.956   3.250
  161   1HZ   LYS  35          1HZ       LYS  35 -13.025   8.871   2.307
  162   2HZ   LYS  35          2HZ       LYS  35 -14.012   8.132   3.464
  163   3HZ   LYS  35          3HZ       LYS  35 -14.329   7.909   1.818
  164    H    GLN  36           H        GLN  36  -6.608   3.486   2.483
  165    HA   GLN  36           HA       GLN  36  -5.511   5.536   4.209
  166   1HB   GLN  36          2HB       GLN  36  -5.040   4.124   6.084
  167   2HB   GLN  36          1HB       GLN  36  -6.761   4.002   5.743
  168   1HG   GLN  36          2HG       GLN  36  -4.889   2.006   4.568
  169   2HG   GLN  36          1HG       GLN  36  -5.357   1.870   6.263
  170   1HE2  GLN  36          1HE2      GLN  36  -6.490  -0.016   5.993
  171   2HE2  GLN  36          2HE2      GLN  36  -7.987  -0.102   5.134
  172    H    SER  37           H        SER  37  -3.226   5.171   4.690
  173    HA   SER  37           HA       SER  37  -1.925   3.630   2.545
  174   1HB   SER  37          2HB       SER  37  -0.720   5.891   4.159
  175   2HB   SER  37          1HB       SER  37  -0.095   5.180   2.669
  176    HG   SER  37           HG       SER  37  -1.188   7.157   2.291
  177    H    THR  38           H        THR  38  -0.338   2.149   3.039
  178    HA   THR  38           HA       THR  38   0.489   1.873   5.827
  179    HB   THR  38           HB       THR  38  -1.529   0.450   5.541
  180    HG1  THR  38           1HG      THR  38  -0.493  -1.439   6.398
  181   1HG2  THR  38          1HG2      THR  38  -1.182  -0.105   3.158
  182   2HG2  THR  38          2HG2      THR  38  -1.421  -1.540   4.154
  183   3HG2  THR  38          3HG2      THR  38   0.198  -1.105   3.609
  184    H    TRP  39           H        TRP  39   2.242   0.324   6.124
  185    HA   TRP  39           HA       TRP  39   4.042   0.279   3.792
  186   1HB   TRP  39          2HB       TRP  39   4.562   0.192   6.771
  187   2HB   TRP  39          1HB       TRP  39   5.806  -0.144   5.573
  188    HD1  TRP  39           HD       TRP  39   4.086   2.707   7.320
  189    HE1  TRP  39           1HE      TRP  39   5.057   4.938   6.465
  190    HE3  TRP  39           3HE      TRP  39   6.740   0.942   3.339
  191    HZ2  TRP  39           2HZ      TRP  39   6.735   5.822   4.361
  192    HZ3  TRP  39           3HZ      TRP  39   7.994   2.529   1.958
  193    HH2  TRP  39           HH       TRP  39   8.002   4.918   2.460
  194    H    GLU  40           H        GLU  40   5.530  -1.631   3.701
  195    HA   GLU  40           HA       GLU  40   5.905  -3.862   3.498
  196   1HB   GLU  40          2HB       GLU  40   5.794  -3.897   5.949
  197   2HB   GLU  40          1HB       GLU  40   4.048  -4.084   5.875
  198   1HG   GLU  40          2HG       GLU  40   4.315  -6.243   4.777
  199   2HG   GLU  40          1HG       GLU  40   6.068  -6.056   4.827
  200    H    LYS  41           H        LYS  41   5.123  -5.452   2.224
  201    HA   LYS  41           HA       LYS  41   2.671  -5.031   0.883
  202   1HB   LYS  41          2HB       LYS  41   3.190  -7.035  -0.358
  203   2HB   LYS  41          1HB       LYS  41   4.662  -6.098  -0.143
  204   1HG   LYS  41          2HG       LYS  41   5.359  -7.578   1.659
  205   2HG   LYS  41          1HG       LYS  41   3.868  -8.506   1.483
  206   1HD   LYS  41          2HD       LYS  41   4.533  -8.996  -0.870
  207   2HD   LYS  41          1HD       LYS  41   6.078  -8.205  -0.547
  208   1HE   LYS  41          2HE       LYS  41   6.313 -10.603  -0.313
  209   2HE   LYS  41          1HE       LYS  41   6.505  -9.823   1.256
  210   1HZ   LYS  41          1HZ       LYS  41   4.058 -11.188   0.272
  211   2HZ   LYS  41          2HZ       LYS  41   4.197 -10.395   1.759
  212   3HZ   LYS  41          3HZ       LYS  41   5.125 -11.775   1.448
  213    HA   PRO  42           HA       PRO  42   0.024  -7.427   3.545
  214   1HB   PRO  42          2HB       PRO  42  -2.244  -7.229   2.160
  215   2HB   PRO  42          1HB       PRO  42  -1.505  -5.801   2.897
  216   1HG   PRO  42          2HG       PRO  42  -1.487  -6.690   0.049
  217   2HG   PRO  42          1HG       PRO  42  -1.616  -5.053   0.712
  218   1HD   PRO  42          2HD       PRO  42   0.717  -6.237  -0.266
  219   2HD   PRO  42          1HD       PRO  42   0.642  -4.800   0.770
  220    HA   PRO   5           HA       PRO   5  -1.988   7.656  -7.262
  221   1HB   PRO   5          2HB       PRO   5   0.135   9.037  -6.363
  222   2HB   PRO   5          1HB       PRO   5  -0.116   8.723  -8.083
  223   1HG   PRO   5          2HG       PRO   5  -0.674  11.204  -6.509
  224   2HG   PRO   5          1HG       PRO   5   0.036  11.038  -8.125
  225   1HD   PRO   5          2HD       PRO   5  -2.590  11.679  -7.667
  226   2HD   PRO   5          1HD       PRO   5  -2.009  10.874  -9.138
  227    HA   PRO   6           HA       PRO   6  -3.135   7.926  -2.977
  228   1HB   PRO   6          2HB       PRO   6  -1.466   5.630  -2.407
  229   2HB   PRO   6          1HB       PRO   6  -3.224   5.723  -2.522
  230   1HG   PRO   6          2HG       PRO   6  -1.689   4.384  -4.317
  231   2HG   PRO   6          1HG       PRO   6  -3.246   5.121  -4.728
  232   1HD   PRO   6          2HD       PRO   6  -0.475   6.173  -5.198
  233   2HD   PRO   6          1HD       PRO   6  -1.881   6.174  -6.288
  234    HA   PRO   7           HA       PRO   7   0.279   9.857  -0.905
  235   1HB   PRO   7          2HB       PRO   7  -1.041   9.609   1.645
  236   2HB   PRO   7          1HB       PRO   7  -0.920  11.033   0.611
  237   1HG   PRO   7          2HG       PRO   7  -3.260   9.691   1.118
  238   2HG   PRO   7          1HG       PRO   7  -2.969  10.678  -0.324
  239   1HD   PRO   7          2HD       PRO   7  -2.845   7.701  -0.001
  240   2HD   PRO   7          1HD       PRO   7  -3.475   8.671  -1.355
  241    H    LEU   8           H        LEU   8   2.045   9.363   0.394
  242    HA   LEU   8           HA       LEU   8   2.453   6.568   0.934
  243   1HB   LEU   8          2HB       LEU   8   4.273   7.864   0.057
  244   2HB   LEU   8          1HB       LEU   8   4.132   9.042   1.350
  245    HG   LEU   8           HG       LEU   8   4.718   6.946   2.860
  246   1HD1  LEU   8          1HD1      LEU   8   5.382   6.134   0.095
  247   2HD1  LEU   8          2HD1      LEU   8   4.923   5.153   1.489
  248   3HD1  LEU   8          3HD1      LEU   8   6.564   5.779   1.350
  249   1HD2  LEU   8          1HD2      LEU   8   6.023   9.011   2.692
  250   2HD2  LEU   8          2HD2      LEU   8   6.756   8.426   1.199
  251   3HD2  LEU   8          3HD2      LEU   8   7.065   7.589   2.720
  252    HA   PRO   9           HA       PRO   9   1.281   6.741   5.229
  253   1HB   PRO   9          2HB       PRO   9   2.806   4.374   5.824
  254   2HB   PRO   9          1HB       PRO   9   1.065   4.523   5.593
  255   1HG   PRO   9          2HG       PRO   9   2.743   3.187   3.879
  256   2HG   PRO   9          1HG       PRO   9   1.176   3.872   3.415
  257   1HD   PRO   9          2HD       PRO   9   3.926   4.960   2.989
  258   2HD   PRO   9          1HD       PRO   9   2.516   4.999   1.909
  259    HA   PRO  10           HA       PRO  10   4.854   8.385   7.302
  260   1HB   PRO  10          2HB       PRO  10   3.819   8.870   9.716
  261   2HB   PRO  10          1HB       PRO  10   3.268   9.763   8.295
  262   1HG   PRO  10          2HG       PRO  10   1.980   7.460   9.702
  263   2HG   PRO  10          1HG       PRO  10   1.233   8.924   9.038
  264   1HD   PRO  10          2HD       PRO  10   1.290   6.470   7.766
  265   2HD   PRO  10          1HD       PRO  10   1.080   8.028   6.944
  Start of MODEL    4
    1    H    SER  15           H        SER  15  -8.019  -5.813   1.746
    2    HA   SER  15           HA       SER  15  -8.133  -7.333  -0.697
    3   1HB   SER  15          2HB       SER  15 -10.699  -6.426   0.630
    4   2HB   SER  15          1HB       SER  15 -10.576  -7.046  -1.016
    5    HG   SER  15           HG       SER  15 -11.188  -8.677   0.459
    6    H    MET  16           H        MET  16  -8.506  -6.039  -2.533
    7    HA   MET  16           HA       MET  16  -8.275  -4.151  -3.784
    8   1HB   MET  16          2HB       MET  16  -9.714  -2.812  -1.486
    9   2HB   MET  16          1HB       MET  16  -9.582  -2.206  -3.133
   10   1HG   MET  16          2HG       MET  16 -11.014  -4.715  -2.287
   11   2HG   MET  16          1HG       MET  16 -11.772  -3.178  -2.701
   12   1HE   MET  16          1HE       MET  16 -12.501  -6.051  -4.065
   13   2HE   MET  16          2HE       MET  16 -12.739  -5.485  -5.718
   14   3HE   MET  16          3HE       MET  16 -13.328  -4.522  -4.363
   15    H    TRP  17           H        TRP  17  -6.087  -3.854  -3.796
   16    HA   TRP  17           HA       TRP  17  -5.061  -1.839  -1.922
   17   1HB   TRP  17          2HB       TRP  17  -3.624  -4.388  -2.682
   18   2HB   TRP  17          1HB       TRP  17  -2.951  -3.085  -1.706
   19    HD1  TRP  17           HD       TRP  17  -5.460  -5.968  -1.535
   20    HE1  TRP  17           1HE      TRP  17  -6.006  -6.428   0.937
   21    HE3  TRP  17           3HE      TRP  17  -3.053  -1.985   0.579
   22    HZ2  TRP  17           2HZ      TRP  17  -5.482  -5.257   3.451
   23    HZ3  TRP  17           3HZ      TRP  17  -3.127  -1.730   3.023
   24    HH2  TRP  17           HH       TRP  17  -4.316  -3.331   4.425
   25    H    THR  18           H        THR  18  -3.521  -0.463  -2.717
   26    HA   THR  18           HA       THR  18  -3.069  -0.557  -5.607
   27    HB   THR  18           HB       THR  18  -2.346   1.842  -3.992
   28    HG1  THR  18           1HG      THR  18  -4.596   2.508  -4.140
   29   1HG2  THR  18          1HG2      THR  18  -3.691   1.422  -6.656
   30   2HG2  THR  18          2HG2      THR  18  -1.988   1.799  -6.397
   31   3HG2  THR  18          3HG2      THR  18  -3.228   2.983  -5.981
   32    H    GLU  19           H        GLU  19  -0.991  -0.675  -6.413
   33    HA   GLU  19           HA       GLU  19   1.114  -1.079  -4.402
   34   1HB   GLU  19          2HB       GLU  19   0.639  -2.970  -5.920
   35   2HB   GLU  19          1HB       GLU  19   1.048  -1.952  -7.295
   36   1HG   GLU  19          2HG       GLU  19   3.331  -1.721  -6.430
   37   2HG   GLU  19          1HG       GLU  19   2.913  -2.777  -5.081
   38    H    HIS  20           H        HIS  20   2.602   0.410  -4.141
   39    HA   HIS  20           HA       HIS  20   3.602   1.921  -6.421
   40   1HB   HIS  20          2HB       HIS  20   2.398   3.211  -3.967
   41   2HB   HIS  20          1HB       HIS  20   3.427   4.066  -5.111
   42    HD1  HIS  20           1HD      HIS  20   2.439   4.495  -7.497
   43    HD2  HIS  20           2HD      HIS  20  -0.222   2.816  -4.781
   44    HE1  HIS  20           1HE      HIS  20   0.165   4.748  -8.540
   45    HE2  HIS  20           2HE      HIS  20  -1.436   3.776  -6.854
   46    H    LYS  21           H        LYS  21   5.574   3.234  -5.773
   47    HA   LYS  21           HA       LYS  21   7.037   1.769  -3.674
   48   1HB   LYS  21          2HB       LYS  21   8.032   2.867  -6.300
   49   2HB   LYS  21          1HB       LYS  21   9.093   2.276  -5.029
   50   1HG   LYS  21          2HG       LYS  21   8.026   0.068  -5.193
   51   2HG   LYS  21          1HG       LYS  21   7.015   0.674  -6.508
   52   1HD   LYS  21          2HD       LYS  21   8.986   1.107  -7.857
   53   2HD   LYS  21          1HD       LYS  21  10.031   0.594  -6.532
   54   1HE   LYS  21          2HE       LYS  21   9.795  -1.178  -8.186
   55   2HE   LYS  21          1HE       LYS  21   9.076  -1.652  -6.648
   56   1HZ   LYS  21          1HZ       LYS  21   7.569  -0.612  -8.985
   57   2HZ   LYS  21          2HZ       LYS  21   6.900  -1.141  -7.526
   58   3HZ   LYS  21          3HZ       LYS  21   7.679  -2.242  -8.545
   59    H    SER  22           H        SER  22   7.391   2.988  -1.952
   60    HA   SER  22           HA       SER  22   7.233   5.726  -1.723
   61   1HB   SER  22          2HB       SER  22   7.311   4.132   0.187
   62   2HB   SER  22          1HB       SER  22   9.029   3.900  -0.113
   63    HG   SER  22           HG       SER  22   9.453   5.892   0.592
   64    HA   PRO  23           HA       PRO  23  10.755   7.377  -3.816
   65   1HB   PRO  23          2HB       PRO  23  10.812   9.439  -1.694
   66   2HB   PRO  23          1HB       PRO  23  10.623   9.625  -3.440
   67   1HG   PRO  23          2HG       PRO  23   8.551   9.978  -1.799
   68   2HG   PRO  23          1HG       PRO  23   8.344   9.182  -3.372
   69   1HD   PRO  23          2HD       PRO  23   8.542   7.961  -0.641
   70   2HD   PRO  23          1HD       PRO  23   7.448   7.546  -1.976
   71    H    ASP  24           H        ASP  24  10.849   6.505  -0.478
   72    HA   ASP  24           HA       ASP  24  13.688   6.971  -0.190
   73   1HB   ASP  24          2HB       ASP  24  12.010   7.142   1.705
   74   2HB   ASP  24          1HB       ASP  24  11.895   5.386   1.654
   75    H    GLY  25           H        GLY  25  12.230   4.961  -2.095
   76   1HA   GLY  25          2HA       GLY  25  13.064   3.094  -3.188
   77   2HA   GLY  25          1HA       GLY  25  14.327   2.981  -1.970
   78    H    ARG  26           H        ARG  26  10.826   3.050  -1.434
   79    HA   ARG  26           HA       ARG  26  11.013   0.270  -0.450
   80   1HB   ARG  26          2HB       ARG  26   9.059   2.178   0.762
   81   2HB   ARG  26          1HB       ARG  26   9.785   0.739   1.457
   82   1HG   ARG  26          2HG       ARG  26  11.201   3.347   0.985
   83   2HG   ARG  26          1HG       ARG  26  10.549   2.801   2.529
   84   1HD   ARG  26          2HD       ARG  26  12.029   0.751   2.257
   85   2HD   ARG  26          1HD       ARG  26  12.826   1.629   0.952
   86    HE   ARG  26           HE       ARG  26  12.730   3.222   3.285
   87   1HH1  ARG  26          1HH1      ARG  26  14.361   0.455   1.933
   88   2HH1  ARG  26          2HH1      ARG  26  15.798   0.683   2.873
   89   1HH2  ARG  26          1HH2      ARG  26  14.615   3.526   4.526
   90   2HH2  ARG  26          2HH2      ARG  26  15.942   2.428   4.348
   91    H    THR  27           H        THR  27   8.853  -0.802  -0.306
   92    HA   THR  27           HA       THR  27   7.132   0.045  -2.545
   93    HB   THR  27           HB       THR  27   7.485  -2.758  -1.450
   94    HG1  THR  27           1HG      THR  27   8.314  -2.753  -3.879
   95   1HG2  THR  27          1HG2      THR  27   6.008  -1.746  -3.883
   96   2HG2  THR  27          2HG2      THR  27   5.268  -2.361  -2.407
   97   3HG2  THR  27          3HG2      THR  27   6.214  -3.439  -3.434
   98    H    TYR  28           H        TYR  28   5.474   1.133  -1.648
   99    HA   TYR  28           HA       TYR  28   4.229   0.007   0.768
  100   1HB   TYR  28          2HB       TYR  28   3.537   2.173   1.386
  101   2HB   TYR  28          1HB       TYR  28   5.190   2.373   0.807
  102    HD1  TYR  28           1HD      TYR  28   5.556   3.302  -1.508
  103    HD2  TYR  28           2HD      TYR  28   1.742   3.325   0.378
  104    HE1  TYR  28           1HE      TYR  28   4.800   5.045  -3.069
  105    HE2  TYR  28           2HE      TYR  28   0.976   5.066  -1.179
  106    HH   TYR  28           HH       TYR  28   1.903   6.795  -2.610
  107    H    TYR  29           H        TYR  29   1.825   0.382   0.938
  108    HA   TYR  29           HA       TYR  29   0.536   0.203  -1.703
  109   1HB   TYR  29          2HB       TYR  29   0.063  -1.641   0.646
  110   2HB   TYR  29          1HB       TYR  29  -0.936  -1.596  -0.803
  111    HD1  TYR  29           1HD      TYR  29  -0.290  -2.748  -2.763
  112    HD2  TYR  29           2HD      TYR  29   2.476  -2.317   0.440
  113    HE1  TYR  29           1HE      TYR  29   1.221  -4.347  -3.861
  114    HE2  TYR  29           2HE      TYR  29   3.995  -3.916  -0.649
  115    HH   TYR  29           HH       TYR  29   3.879  -5.746  -2.283
  116    H    TYR  30           H        TYR  30  -1.714   0.717  -1.744
  117    HA   TYR  30           HA       TYR  30  -2.574   2.404   0.516
  118   1HB   TYR  30          2HB       TYR  30  -2.049   3.701  -1.518
  119   2HB   TYR  30          1HB       TYR  30  -3.216   2.745  -2.423
  120    HD1  TYR  30           1HD      TYR  30  -5.668   2.847  -1.645
  121    HD2  TYR  30           2HD      TYR  30  -2.716   5.655  -0.421
  122    HE1  TYR  30           1HE      TYR  30  -7.443   4.435  -1.033
  123    HE2  TYR  30           2HE      TYR  30  -4.483   7.247   0.204
  124    HH   TYR  30           HH       TYR  30  -7.751   6.368   0.455
  125    H    ASN  31           H        ASN  31  -4.131   1.401   1.622
  126    HA   ASN  31           HA       ASN  31  -5.764  -0.661   0.514
  127   1HB   ASN  31          2HB       ASN  31  -5.047  -0.390   2.957
  128   2HB   ASN  31          1HB       ASN  31  -6.310   0.829   3.082
  129   1HD2  ASN  31          1HD2      ASN  31  -6.139  -1.629   4.524
  130   2HD2  ASN  31          2HD2      ASN  31  -7.535  -2.560   4.110
  131    H    THR  32           H        THR  32  -7.650  -0.483  -0.552
  132    HA   THR  32           HA       THR  32  -8.835   2.174  -0.806
  133    HB   THR  32           HB       THR  32  -9.542   1.584  -2.851
  134    HG1  THR  32           1HG      THR  32 -10.365  -0.832  -1.614
  135   1HG2  THR  32          1HG2      THR  32  -8.259  -0.091  -3.967
  136   2HG2  THR  32          2HG2      THR  32  -7.964  -0.952  -2.460
  137   3HG2  THR  32          3HG2      THR  32  -7.220   0.623  -2.732
  138    H    GLU  33           H        GLU  33  -9.389  -0.744   0.888
  139    HA   GLU  33           HA       GLU  33 -12.223  -0.599   1.084
  140   1HB   GLU  33          2HB       GLU  33 -10.170  -1.968   2.828
  141   2HB   GLU  33          1HB       GLU  33 -11.908  -2.149   3.031
  142   1HG   GLU  33          2HG       GLU  33 -10.348  -2.897   0.566
  143   2HG   GLU  33          1HG       GLU  33 -10.914  -4.016   1.805
  144    H    THR  34           H        THR  34  -9.626   0.264   3.365
  145    HA   THR  34           HA       THR  34 -11.539   1.772   4.978
  146    HB   THR  34           HB       THR  34  -8.594   1.374   5.513
  147    HG1  THR  34           1HG      THR  34 -10.596  -0.128   6.801
  148   1HG2  THR  34          1HG2      THR  34  -9.600   3.175   6.797
  149   2HG2  THR  34          2HG2      THR  34  -9.262   1.803   7.852
  150   3HG2  THR  34          3HG2      THR  34 -10.911   2.109   7.304
  151    H    LYS  35           H        LYS  35  -9.443   2.270   2.421
  152    HA   LYS  35           HA       LYS  35  -8.676   4.102   1.329
  153   1HB   LYS  35          2HB       LYS  35 -10.480   5.693   3.160
  154   2HB   LYS  35          1HB       LYS  35  -9.856   6.194   1.595
  155   1HG   LYS  35          2HG       LYS  35 -11.167   4.449   0.504
  156   2HG   LYS  35          1HG       LYS  35 -11.781   3.930   2.077
  157   1HD   LYS  35          2HD       LYS  35 -12.839   6.098   2.399
  158   2HD   LYS  35          1HD       LYS  35 -12.180   6.668   0.865
  159   1HE   LYS  35          2HE       LYS  35 -14.520   6.012   0.634
  160   2HE   LYS  35          1HE       LYS  35 -13.468   4.974  -0.327
  161   1HZ   LYS  35          1HZ       LYS  35 -14.562   4.284   2.348
  162   2HZ   LYS  35          2HZ       LYS  35 -13.616   3.281   1.367
  163   3HZ   LYS  35          3HZ       LYS  35 -15.172   3.722   0.873
  164    H    GLN  36           H        GLN  36  -6.745   3.392   2.678
  165    HA   GLN  36           HA       GLN  36  -5.597   5.779   3.848
  166   1HB   GLN  36          2HB       GLN  36  -4.891   4.681   5.917
  167   2HB   GLN  36          1HB       GLN  36  -6.645   4.721   5.789
  168   1HG   GLN  36          2HG       GLN  36  -6.766   2.429   5.284
  169   2HG   GLN  36          1HG       GLN  36  -5.033   2.328   4.976
  170   1HE2  GLN  36          1HE2      GLN  36  -3.598   2.344   6.733
  171   2HE2  GLN  36          2HE2      GLN  36  -4.123   1.965   8.334
  172    H    SER  37           H        SER  37  -3.257   5.436   4.377
  173    HA   SER  37           HA       SER  37  -2.070   3.655   2.364
  174   1HB   SER  37          2HB       SER  37  -0.850   6.050   3.762
  175   2HB   SER  37          1HB       SER  37  -0.128   5.135   2.439
  176    HG   SER  37           HG       SER  37  -1.324   7.169   1.935
  177    H    THR  38           H        THR  38  -0.528   2.150   2.914
  178    HA   THR  38           HA       THR  38   0.362   2.030   5.697
  179    HB   THR  38           HB       THR  38  -1.660   0.655   5.634
  180    HG1  THR  38           1HG      THR  38   0.622  -0.040   6.585
  181   1HG2  THR  38          1HG2      THR  38  -0.198  -0.916   3.505
  182   2HG2  THR  38          2HG2      THR  38  -1.657   0.048   3.276
  183   3HG2  THR  38          3HG2      THR  38  -1.707  -1.401   4.279
  184    H    TRP  39           H        TRP  39   2.010   0.361   6.057
  185    HA   TRP  39           HA       TRP  39   3.851   0.189   3.765
  186   1HB   TRP  39          2HB       TRP  39   4.296   0.052   6.755
  187   2HB   TRP  39          1HB       TRP  39   5.551  -0.299   5.574
  188    HD1  TRP  39           HD       TRP  39   3.932   2.544   7.397
  189    HE1  TRP  39           1HE      TRP  39   4.995   4.765   6.636
  190    HE3  TRP  39           3HE      TRP  39   6.526   0.844   3.342
  191    HZ2  TRP  39           2HZ      TRP  39   6.705   5.672   4.573
  192    HZ3  TRP  39           3HZ      TRP  39   7.843   2.443   2.028
  193    HH2  TRP  39           HH       TRP  39   7.938   4.807   2.631
  194    H    GLU  40           H        GLU  40   5.241  -1.785   3.724
  195    HA   GLU  40           HA       GLU  40   5.533  -4.030   3.559
  196   1HB   GLU  40          2HB       GLU  40   5.402  -3.982   6.014
  197   2HB   GLU  40          1HB       GLU  40   3.654  -4.148   5.925
  198   1HG   GLU  40          2HG       GLU  40   4.670  -6.268   6.457
  199   2HG   GLU  40          1HG       GLU  40   3.926  -6.337   4.861
  200    H    LYS  41           H        LYS  41   4.725  -5.596   2.298
  201    HA   LYS  41           HA       LYS  41   2.199  -5.185   1.048
  202   1HB   LYS  41          2HB       LYS  41   2.753  -7.228  -0.226
  203   2HB   LYS  41          1HB       LYS  41   4.073  -6.066  -0.221
  204   1HG   LYS  41          2HG       LYS  41   5.231  -7.354   1.480
  205   2HG   LYS  41          1HG       LYS  41   3.890  -8.496   1.550
  206   1HD   LYS  41          2HD       LYS  41   5.387  -9.585   0.163
  207   2HD   LYS  41          1HD       LYS  41   4.332  -8.772  -0.996
  208   1HE   LYS  41          2HE       LYS  41   6.981  -7.702  -0.025
  209   2HE   LYS  41          1HE       LYS  41   6.743  -8.571  -1.540
  210   1HZ   LYS  41          1HZ       LYS  41   5.145  -6.809  -2.178
  211   2HZ   LYS  41          2HZ       LYS  41   6.729  -6.250  -1.992
  212   3HZ   LYS  41          3HZ       LYS  41   5.581  -5.948  -0.788
  213    HA   PRO  42           HA       PRO  42  -0.138  -7.696   3.917
  214   1HB   PRO  42          2HB       PRO  42  -2.533  -7.556   2.708
  215   2HB   PRO  42          1HB       PRO  42  -1.824  -6.162   3.534
  216   1HG   PRO  42          2HG       PRO  42  -1.905  -6.793   0.611
  217   2HG   PRO  42          1HG       PRO  42  -2.171  -5.244   1.429
  218   1HD   PRO  42          2HD       PRO  42   0.190  -5.951   0.229
  219   2HD   PRO  42          1HD       PRO  42   0.069  -4.795   1.570
  220    HA   PRO   5           HA       PRO   5  -1.224   7.949  -7.416
  221   1HB   PRO   5          2HB       PRO   5   0.814   9.647  -6.264
  222   2HB   PRO   5          1HB       PRO   5   0.973   8.457  -7.558
  223   1HG   PRO   5          2HG       PRO   5   1.221  11.154  -7.936
  224   2HG   PRO   5          1HG       PRO   5   0.703  10.025  -9.200
  225   1HD   PRO   5          2HD       PRO   5  -0.949  11.838  -7.483
  226   2HD   PRO   5          1HD       PRO   5  -1.119  11.454  -9.211
  227    HA   PRO   6           HA       PRO   6  -2.693   8.414  -3.242
  228   1HB   PRO   6          2HB       PRO   6  -1.334   5.980  -2.484
  229   2HB   PRO   6          1HB       PRO   6  -3.054   6.239  -2.774
  230   1HG   PRO   6          2HG       PRO   6  -1.471   4.716  -4.374
  231   2HG   PRO   6          1HG       PRO   6  -2.929   5.548  -4.941
  232   1HD   PRO   6          2HD       PRO   6  -0.055   6.356  -5.229
  233   2HD   PRO   6          1HD       PRO   6  -1.380   6.462  -6.409
  234    HA   PRO   7           HA       PRO   7   0.729  10.064  -0.972
  235   1HB   PRO   7          2HB       PRO   7  -0.366  10.318   1.466
  236   2HB   PRO   7          1HB       PRO   7  -0.905  11.306   0.104
  237   1HG   PRO   7          2HG       PRO   7  -2.163   8.868   1.292
  238   2HG   PRO   7          1HG       PRO   7  -2.931  10.362   0.721
  239   1HD   PRO   7          2HD       PRO   7  -2.807   8.027  -0.733
  240   2HD   PRO   7          1HD       PRO   7  -2.979   9.644  -1.450
  241    H    LEU   8           H        LEU   8   2.388   9.451   0.414
  242    HA   LEU   8           HA       LEU   8   2.578   6.634   0.944
  243   1HB   LEU   8          2HB       LEU   8   4.489   7.940   0.143
  244   2HB   LEU   8          1HB       LEU   8   4.439   8.927   1.594
  245    HG   LEU   8           HG       LEU   8   4.850   6.695   2.846
  246   1HD1  LEU   8          1HD1      LEU   8   5.812   4.938   1.631
  247   2HD1  LEU   8          2HD1      LEU   8   6.003   5.927   0.186
  248   3HD1  LEU   8          3HD1      LEU   8   4.397   5.413   0.697
  249   1HD2  LEU   8          1HD2      LEU   8   6.469   8.526   2.687
  250   2HD2  LEU   8          2HD2      LEU   8   7.004   7.917   1.121
  251   3HD2  LEU   8          3HD2      LEU   8   7.259   6.953   2.575
  252    HA   PRO   9           HA       PRO   9   1.253   6.815   5.191
  253   1HB   PRO   9          2HB       PRO   9   2.634   4.361   5.806
  254   2HB   PRO   9          1HB       PRO   9   0.911   4.607   5.526
  255   1HG   PRO   9          2HG       PRO   9   2.564   3.205   3.843
  256   2HG   PRO   9          1HG       PRO   9   1.054   3.980   3.341
  257   1HD   PRO   9          2HD       PRO   9   3.871   4.915   3.009
  258   2HD   PRO   9          1HD       PRO   9   2.495   5.053   1.894
  259    HA   PRO  10           HA       PRO  10   4.820   8.219   7.447
  260   1HB   PRO  10          2HB       PRO  10   3.693   8.726   9.822
  261   2HB   PRO  10          1HB       PRO  10   3.289   9.683   8.392
  262   1HG   PRO  10          2HG       PRO  10   1.749   7.482   9.697
  263   2HG   PRO  10          1HG       PRO  10   1.161   8.988   8.973
  264   1HD   PRO  10          2HD       PRO  10   1.146   6.503   7.733
  265   2HD   PRO  10          1HD       PRO  10   1.044   8.064   6.895
  Start of MODEL    5
    1    H    SER  15           H        SER  15 -10.196  -7.859  -0.053
    2    HA   SER  15           HA       SER  15  -7.480  -7.896  -1.190
    3   1HB   SER  15          2HB       SER  15 -10.054  -8.967  -2.373
    4   2HB   SER  15          1HB       SER  15  -8.475  -9.010  -3.159
    5    HG   SER  15           HG       SER  15  -7.861 -10.158  -1.076
    6    H    MET  16           H        MET  16  -7.990  -5.483  -0.634
    7    HA   MET  16           HA       MET  16  -8.663  -4.223  -3.182
    8   1HB   MET  16          2HB       MET  16  -9.817  -3.341  -0.527
    9   2HB   MET  16          1HB       MET  16 -10.006  -2.494  -2.052
   10   1HG   MET  16          2HG       MET  16 -11.016  -5.266  -1.476
   11   2HG   MET  16          1HG       MET  16 -11.986  -3.796  -1.433
   12   1HE   MET  16          1HE       MET  16 -12.714  -2.419  -3.560
   13   2HE   MET  16          2HE       MET  16 -12.018  -2.676  -5.161
   14   3HE   MET  16          3HE       MET  16 -10.999  -2.111  -3.836
   15    H    TRP  17           H        TRP  17  -6.234  -4.250  -3.027
   16    HA   TRP  17           HA       TRP  17  -5.317  -1.824  -1.632
   17   1HB   TRP  17          2HB       TRP  17  -3.670  -4.340  -1.931
   18   2HB   TRP  17          1HB       TRP  17  -3.225  -2.880  -1.058
   19    HD1  TRP  17           HD       TRP  17  -5.737  -5.808  -0.814
   20    HE1  TRP  17           1HE      TRP  17  -6.292  -6.169   1.673
   21    HE3  TRP  17           3HE      TRP  17  -3.179  -1.851   1.178
   22    HZ2  TRP  17           2HZ      TRP  17  -5.723  -4.948   4.147
   23    HZ3  TRP  17           3HZ      TRP  17  -3.236  -1.525   3.616
   24    HH2  TRP  17           HH       TRP  17  -4.483  -3.040   5.067
   25    H    THR  18           H        THR  18  -3.610  -0.689  -2.624
   26    HA   THR  18           HA       THR  18  -3.173  -1.380  -5.458
   27    HB   THR  18           HB       THR  18  -2.760   1.004  -5.873
   28    HG1  THR  18           1HG      THR  18  -2.058   1.789  -3.933
   29   1HG2  THR  18          1HG2      THR  18  -5.040   0.145  -6.133
   30   2HG2  THR  18          2HG2      THR  18  -5.050   1.820  -5.583
   31   3HG2  THR  18          3HG2      THR  18  -5.374   0.515  -4.441
   32    H    GLU  19           H        GLU  19  -1.048  -1.078  -6.311
   33    HA   GLU  19           HA       GLU  19   1.015  -1.304  -4.234
   34   1HB   GLU  19          2HB       GLU  19   0.634  -3.166  -5.923
   35   2HB   GLU  19          1HB       GLU  19   1.291  -2.078  -7.135
   36   1HG   GLU  19          2HG       GLU  19   2.791  -2.836  -4.647
   37   2HG   GLU  19          1HG       GLU  19   2.883  -3.763  -6.143
   38    H    HIS  20           H        HIS  20   2.587   0.115  -4.026
   39    HA   HIS  20           HA       HIS  20   3.396   1.839  -6.216
   40   1HB   HIS  20          2HB       HIS  20   2.049   2.833  -3.726
   41   2HB   HIS  20          1HB       HIS  20   3.258   3.827  -4.531
   42    HD1  HIS  20           1HD      HIS  20   2.692   4.318  -7.160
   43    HD2  HIS  20           2HD      HIS  20  -0.457   3.120  -4.729
   44    HE1  HIS  20           1HE      HIS  20   0.604   4.996  -8.384
   45    HE2  HIS  20           2HE      HIS  20  -1.287   4.331  -6.858
   46    H    LYS  21           H        LYS  21   5.340   3.205  -5.516
   47    HA   LYS  21           HA       LYS  21   6.884   1.704  -3.505
   48   1HB   LYS  21          2HB       LYS  21   7.836   2.777  -6.159
   49   2HB   LYS  21          1HB       LYS  21   8.899   2.134  -4.916
   50   1HG   LYS  21          2HG       LYS  21   7.660  -0.022  -5.066
   51   2HG   LYS  21          1HG       LYS  21   6.768   0.646  -6.434
   52   1HD   LYS  21          2HD       LYS  21   9.771   0.398  -6.315
   53   2HD   LYS  21          1HD       LYS  21   8.705  -0.774  -7.089
   54   1HE   LYS  21          2HE       LYS  21   7.894   0.972  -8.603
   55   2HE   LYS  21          1HE       LYS  21   8.964   2.140  -7.827
   56   1HZ   LYS  21          1HZ       LYS  21  10.860   0.823  -8.542
   57   2HZ   LYS  21          2HZ       LYS  21   9.922   1.287  -9.871
   58   3HZ   LYS  21          3HZ       LYS  21   9.832  -0.298  -9.287
   59    H    SER  22           H        SER  22   7.333   2.920  -1.821
   60    HA   SER  22           HA       SER  22   7.128   5.650  -1.574
   61   1HB   SER  22          2HB       SER  22   7.347   4.049   0.319
   62   2HB   SER  22          1HB       SER  22   9.055   3.868  -0.068
   63    HG   SER  22           HG       SER  22   9.464   5.801   0.725
   64    HA   PRO  23           HA       PRO  23  10.471   7.460  -3.812
   65   1HB   PRO  23          2HB       PRO  23  10.648   9.412  -1.588
   66   2HB   PRO  23          1HB       PRO  23  10.359   9.688  -3.311
   67   1HG   PRO  23          2HG       PRO  23   8.380   9.930  -1.546
   68   2HG   PRO  23          1HG       PRO  23   8.094   9.208  -3.141
   69   1HD   PRO  23          2HD       PRO  23   8.442   7.863  -0.486
   70   2HD   PRO  23          1HD       PRO  23   7.295   7.494  -1.788
   71    H    ASP  24           H        ASP  24  10.832   6.596  -0.457
   72    HA   ASP  24           HA       ASP  24  13.674   7.033  -0.388
   73   1HB   ASP  24          2HB       ASP  24  11.865   5.500   1.495
   74   2HB   ASP  24          1HB       ASP  24  13.557   5.881   1.803
   75    H    GLY  25           H        GLY  25  12.059   5.018  -2.209
   76   1HA   GLY  25          2HA       GLY  25  12.856   3.207  -3.428
   77   2HA   GLY  25          1HA       GLY  25  14.212   3.090  -2.318
   78    H    ARG  26           H        ARG  26  10.799   3.120  -1.425
   79    HA   ARG  26           HA       ARG  26  11.105   0.324  -0.523
   80   1HB   ARG  26          2HB       ARG  26   9.149   2.125   0.819
   81   2HB   ARG  26          1HB       ARG  26  10.050   0.765   1.472
   82   1HG   ARG  26          2HG       ARG  26  11.214   3.459   0.820
   83   2HG   ARG  26          1HG       ARG  26  10.738   2.916   2.428
   84   1HD   ARG  26          2HD       ARG  26  12.406   1.212   2.434
   85   2HD   ARG  26          1HD       ARG  26  12.763   1.474   0.728
   86    HE   ARG  26           HE       ARG  26  13.252   3.877   1.986
   87   1HH1  ARG  26          1HH1      ARG  26  14.448   0.611   2.216
   88   2HH1  ARG  26          2HH1      ARG  26  16.035   1.094   2.713
   89   1HH2  ARG  26          1HH2      ARG  26  15.336   4.518   2.635
   90   2HH2  ARG  26          2HH2      ARG  26  16.541   3.313   2.951
   91    H    THR  27           H        THR  27   8.980  -0.815  -0.261
   92    HA   THR  27           HA       THR  27   7.177  -0.069  -2.471
   93    HB   THR  27           HB       THR  27   7.621  -2.804  -1.251
   94    HG1  THR  27           1HG      THR  27   9.393  -2.283  -2.504
   95   1HG2  THR  27          1HG2      THR  27   5.361  -2.559  -2.112
   96   2HG2  THR  27          2HG2      THR  27   6.300  -3.602  -3.181
   97   3HG2  THR  27          3HG2      THR  27   5.986  -1.927  -3.635
   98    H    TYR  28           H        TYR  28   5.503   1.040  -1.602
   99    HA   TYR  28           HA       TYR  28   4.292  -0.039   0.854
  100   1HB   TYR  28          2HB       TYR  28   3.680   2.101   1.521
  101   2HB   TYR  28          1HB       TYR  28   5.249   2.373   0.772
  102    HD1  TYR  28           1HD      TYR  28   1.684   3.059   0.619
  103    HD2  TYR  28           2HD      TYR  28   5.377   3.452  -1.461
  104    HE1  TYR  28           1HE      TYR  28   0.683   4.783  -0.820
  105    HE2  TYR  28           2HE      TYR  28   4.384   5.176  -2.906
  106    HH   TYR  28           HH       TYR  28   1.416   6.675  -2.226
  107    H    TYR  29           H        TYR  29   1.901   0.278   1.039
  108    HA   TYR  29           HA       TYR  29   0.603   0.028  -1.595
  109   1HB   TYR  29          2HB       TYR  29   0.115  -1.693   0.841
  110   2HB   TYR  29          1HB       TYR  29  -0.877  -1.719  -0.612
  111    HD1  TYR  29           1HD      TYR  29   2.541  -2.369   0.667
  112    HD2  TYR  29           2HD      TYR  29  -0.243  -2.999  -2.488
  113    HE1  TYR  29           1HE      TYR  29   4.053  -4.035  -0.325
  114    HE2  TYR  29           2HE      TYR  29   1.261  -4.669  -3.488
  115    HH   TYR  29           HH       TYR  29   3.907  -5.981  -1.842
  116    H    TYR  30           H        TYR  30  -1.413   0.898  -1.819
  117    HA   TYR  30           HA       TYR  30  -2.396   2.470   0.474
  118   1HB   TYR  30          2HB       TYR  30  -1.695   3.958  -1.273
  119   2HB   TYR  30          1HB       TYR  30  -2.535   3.019  -2.497
  120    HD1  TYR  30           1HD      TYR  30  -2.828   5.650  -0.013
  121    HD2  TYR  30           2HD      TYR  30  -5.020   3.099  -2.619
  122    HE1  TYR  30           1HE      TYR  30  -4.789   7.108   0.220
  123    HE2  TYR  30           2HE      TYR  30  -6.990   4.554  -2.391
  124    HH   TYR  30           HH       TYR  30  -7.893   6.204  -0.804
  125    H    ASN  31           H        ASN  31  -4.016   1.421   1.399
  126    HA   ASN  31           HA       ASN  31  -5.674  -0.475   0.134
  127   1HB   ASN  31          2HB       ASN  31  -5.251  -0.342   2.594
  128   2HB   ASN  31          1HB       ASN  31  -6.266   1.094   2.652
  129   1HD2  ASN  31          1HD2      ASN  31  -6.180  -2.340   2.346
  130   2HD2  ASN  31          2HD2      ASN  31  -7.881  -2.605   2.474
  131    H    THR  32           H        THR  32  -7.305  -0.183  -1.220
  132    HA   THR  32           HA       THR  32  -8.372   2.479  -1.652
  133    HB   THR  32           HB       THR  32  -7.821   1.243  -3.635
  134    HG1  THR  32           1HG      THR  32 -10.272   0.954  -4.335
  135   1HG2  THR  32          1HG2      THR  32  -9.009  -0.850  -4.226
  136   2HG2  THR  32          2HG2      THR  32  -9.722  -0.869  -2.614
  137   3HG2  THR  32          3HG2      THR  32  -7.979  -1.029  -2.807
  138    H    GLU  33           H        GLU  33  -9.195  -0.115   0.307
  139    HA   GLU  33           HA       GLU  33 -12.065   0.174   0.070
  140   1HB   GLU  33          2HB       GLU  33 -11.044  -2.011   0.622
  141   2HB   GLU  33          1HB       GLU  33 -10.434  -1.333   2.125
  142   1HG   GLU  33          2HG       GLU  33 -12.692  -0.980   2.919
  143   2HG   GLU  33          1HG       GLU  33 -13.343  -1.560   1.386
  144    H    THR  34           H        THR  34 -10.040   0.323   2.984
  145    HA   THR  34           HA       THR  34 -11.784   2.136   4.302
  146    HB   THR  34           HB       THR  34  -8.898   1.563   5.007
  147    HG1  THR  34           1HG      THR  34 -11.039   0.220   6.228
  148   1HG2  THR  34          1HG2      THR  34  -9.629   2.087   7.291
  149   2HG2  THR  34          2HG2      THR  34 -11.244   2.457   6.688
  150   3HG2  THR  34          3HG2      THR  34  -9.873   3.455   6.206
  151    H    LYS  35           H        LYS  35  -9.336   2.488   2.000
  152    HA   LYS  35           HA       LYS  35  -8.490   4.275   0.892
  153   1HB   LYS  35          2HB       LYS  35 -10.277   5.999   2.616
  154   2HB   LYS  35          1HB       LYS  35  -9.515   6.454   1.098
  155   1HG   LYS  35          2HG       LYS  35 -10.881   4.820  -0.090
  156   2HG   LYS  35          1HG       LYS  35 -11.639   4.345   1.433
  157   1HD   LYS  35          2HD       LYS  35 -12.464   6.658   1.705
  158   2HD   LYS  35          1HD       LYS  35 -11.765   7.069   0.137
  159   1HE   LYS  35          2HE       LYS  35 -13.202   5.383  -0.926
  160   2HE   LYS  35          1HE       LYS  35 -13.914   5.013   0.644
  161   1HZ   LYS  35          1HZ       LYS  35 -14.694   7.316   0.766
  162   2HZ   LYS  35          2HZ       LYS  35 -15.327   6.509  -0.578
  163   3HZ   LYS  35          3HZ       LYS  35 -14.065   7.616  -0.777
  164    H    GLN  36           H        GLN  36  -6.689   3.435   2.355
  165    HA   GLN  36           HA       GLN  36  -5.425   5.763   3.535
  166   1HB   GLN  36          2HB       GLN  36  -4.915   4.682   5.650
  167   2HB   GLN  36          1HB       GLN  36  -6.659   4.753   5.422
  168   1HG   GLN  36          2HG       GLN  36  -6.761   2.449   4.860
  169   2HG   GLN  36          1HG       GLN  36  -5.003   2.329   4.772
  170   1HE2  GLN  36          1HE2      GLN  36  -3.804   2.377   6.706
  171   2HE2  GLN  36          2HE2      GLN  36  -4.531   2.004   8.228
  172    H    SER  37           H        SER  37  -3.123   5.268   4.123
  173    HA   SER  37           HA       SER  37  -2.058   3.272   2.246
  174   1HB   SER  37          2HB       SER  37  -1.081   5.939   3.161
  175   2HB   SER  37          1HB       SER  37   0.103   4.724   2.683
  176    HG   SER  37           HG       SER  37  -0.347   5.274   0.720
  177    H    THR  38           H        THR  38  -0.237   2.010   2.873
  178    HA   THR  38           HA       THR  38   0.401   1.914   5.708
  179    HB   THR  38           HB       THR  38  -1.611   0.462   5.394
  180    HG1  THR  38           1HG      THR  38   0.806  -0.244   6.478
  181   1HG2  THR  38          1HG2      THR  38  -1.133  -0.319   3.121
  182   2HG2  THR  38          2HG2      THR  38  -1.336  -1.679   4.226
  183   3HG2  THR  38          3HG2      THR  38   0.281  -1.196   3.710
  184    H    TRP  39           H        TRP  39   2.154   0.379   6.184
  185    HA   TRP  39           HA       TRP  39   4.086   0.271   3.965
  186   1HB   TRP  39          2HB       TRP  39   4.404   0.267   6.971
  187   2HB   TRP  39          1HB       TRP  39   5.727  -0.121   5.881
  188    HD1  TRP  39           HD       TRP  39   4.016   2.767   7.499
  189    HE1  TRP  39           1HE      TRP  39   5.056   4.972   6.667
  190    HE3  TRP  39           3HE      TRP  39   6.734   0.941   3.579
  191    HZ2  TRP  39           2HZ      TRP  39   6.804   5.818   4.613
  192    HZ3  TRP  39           3HZ      TRP  39   8.060   2.507   2.232
  193    HH2  TRP  39           HH       TRP  39   8.099   4.896   2.739
  194    H    GLU  40           H        GLU  40   5.498  -1.600   3.832
  195    HA   GLU  40           HA       GLU  40   5.936  -3.821   3.672
  196   1HB   GLU  40          2HB       GLU  40   6.019  -3.689   6.134
  197   2HB   GLU  40          1HB       GLU  40   4.295  -4.024   6.203
  198   1HG   GLU  40          2HG       GLU  40   5.552  -6.020   6.694
  199   2HG   GLU  40          1HG       GLU  40   4.686  -6.211   5.171
  200    H    LYS  41           H        LYS  41   5.138  -5.464   2.502
  201    HA   LYS  41           HA       LYS  41   2.539  -5.283   1.423
  202   1HB   LYS  41          2HB       LYS  41   3.068  -7.457   0.350
  203   2HB   LYS  41          1HB       LYS  41   4.335  -6.258   0.133
  204   1HG   LYS  41          2HG       LYS  41   5.627  -7.310   1.929
  205   2HG   LYS  41          1HG       LYS  41   4.360  -8.522   2.118
  206   1HD   LYS  41          2HD       LYS  41   4.724  -9.259  -0.190
  207   2HD   LYS  41          1HD       LYS  41   5.994  -8.046  -0.375
  208   1HE   LYS  41          2HE       LYS  41   6.007 -10.341   1.582
  209   2HE   LYS  41          1HE       LYS  41   6.927 -10.261   0.081
  210   1HZ   LYS  41          1HZ       LYS  41   8.295  -9.677   1.979
  211   2HZ   LYS  41          2HZ       LYS  41   7.232  -8.429   2.398
  212   3HZ   LYS  41          3HZ       LYS  41   8.110  -8.341   0.956
  213    HA   PRO  42           HA       PRO  42   0.376  -7.405   4.712
  214   1HB   PRO  42          2HB       PRO  42  -2.059  -7.519   3.542
  215   2HB   PRO  42          1HB       PRO  42  -1.402  -6.026   4.222
  216   1HG   PRO  42          2HG       PRO  42  -1.476  -6.937   1.371
  217   2HG   PRO  42          1HG       PRO  42  -1.825  -5.333   2.041
  218   1HD   PRO  42          2HD       PRO  42   0.547  -5.959   0.880
  219   2HD   PRO  42          1HD       PRO  42   0.402  -4.774   2.194
  220    HA   PRO   5           HA       PRO   5  -1.547   8.740  -7.351
  221   1HB   PRO   5          2HB       PRO   5   0.669  10.109  -6.076
  222   2HB   PRO   5          1HB       PRO   5   0.674   9.149  -7.556
  223   1HG   PRO   5          2HG       PRO   5   1.078  11.842  -7.521
  224   2HG   PRO   5          1HG       PRO   5   0.366  10.979  -8.897
  225   1HD   PRO   5          2HD       PRO   5  -0.997  12.546  -6.733
  226   2HD   PRO   5          1HD       PRO   5  -1.323  12.520  -8.480
  227    HA   PRO   6           HA       PRO   6  -2.793   8.611  -3.083
  228   1HB   PRO   6          2HB       PRO   6  -1.362   6.104  -2.710
  229   2HB   PRO   6          1HB       PRO   6  -3.100   6.387  -2.803
  230   1HG   PRO   6          2HG       PRO   6  -1.730   5.069  -4.729
  231   2HG   PRO   6          1HG       PRO   6  -3.170   6.043  -5.070
  232   1HD   PRO   6          2HD       PRO   6  -0.278   6.769  -5.421
  233   2HD   PRO   6          1HD       PRO   6  -1.653   7.064  -6.511
  234    HA   PRO   7           HA       PRO   7   0.696  10.066  -0.796
  235   1HB   PRO   7          2HB       PRO   7  -0.362  10.213   1.657
  236   2HB   PRO   7          1HB       PRO   7  -0.917  11.260   0.344
  237   1HG   PRO   7          2HG       PRO   7  -2.172   8.790   1.459
  238   2HG   PRO   7          1HG       PRO   7  -2.939  10.302   0.940
  239   1HD   PRO   7          2HD       PRO   7  -2.805   7.990  -0.578
  240   2HD   PRO   7          1HD       PRO   7  -3.048   9.624  -1.235
  241    H    LEU   8           H        LEU   8   2.366   9.412   0.508
  242    HA   LEU   8           HA       LEU   8   2.595   6.589   1.004
  243   1HB   LEU   8          2HB       LEU   8   4.482   7.910   0.184
  244   2HB   LEU   8          1HB       LEU   8   4.428   8.916   1.621
  245    HG   LEU   8           HG       LEU   8   4.902   6.717   2.903
  246   1HD1  LEU   8          1HD1      LEU   8   5.998   5.926   0.220
  247   2HD1  LEU   8          2HD1      LEU   8   4.449   5.348   0.831
  248   3HD1  LEU   8          3HD1      LEU   8   5.934   4.970   1.699
  249   1HD2  LEU   8          1HD2      LEU   8   6.992   7.977   1.127
  250   2HD2  LEU   8          2HD2      LEU   8   7.309   7.010   2.569
  251   3HD2  LEU   8          3HD2      LEU   8   6.483   8.563   2.710
  252    HA   PRO   9           HA       PRO   9   1.295   6.793   5.261
  253   1HB   PRO   9          2HB       PRO   9   2.700   4.405   5.983
  254   2HB   PRO   9          1HB       PRO   9   0.987   4.587   5.611
  255   1HG   PRO   9          2HG       PRO   9   2.832   3.211   4.063
  256   2HG   PRO   9          1HG       PRO   9   1.255   3.793   3.508
  257   1HD   PRO   9          2HD       PRO   9   3.964   4.933   3.067
  258   2HD   PRO   9          1HD       PRO   9   2.534   4.971   2.016
  259    HA   PRO  10           HA       PRO  10   4.795   8.400   7.480
  260   1HB   PRO  10          2HB       PRO  10   3.697   8.766   9.899
  261   2HB   PRO  10          1HB       PRO  10   3.204   9.736   8.507
  262   1HG   PRO  10          2HG       PRO  10   1.849   7.373   9.742
  263   2HG   PRO  10          1HG       PRO  10   1.139   8.885   9.148
  264   1HD   PRO  10          2HD       PRO  10   1.169   6.533   7.729
  265   2HD   PRO  10          1HD       PRO  10   1.081   8.142   6.986
  Start of MODEL    6
    1    H    SER  15           H        SER  15  -9.025  -7.785   0.025
    2    HA   SER  15           HA       SER  15  -7.421  -7.414  -2.420
    3   1HB   SER  15          2HB       SER  15 -10.434  -7.552  -2.129
    4   2HB   SER  15          1HB       SER  15  -9.564  -7.293  -3.642
    5    HG   SER  15           HG       SER  15  -9.038  -9.548  -2.033
    6    H    MET  16           H        MET  16  -8.554  -5.489  -3.746
    7    HA   MET  16           HA       MET  16  -8.856  -3.248  -3.947
    8   1HB   MET  16          2HB       MET  16  -9.984  -3.735  -1.220
    9   2HB   MET  16          1HB       MET  16  -9.742  -2.080  -1.759
   10   1HG   MET  16          2HG       MET  16 -12.011  -2.838  -2.184
   11   2HG   MET  16          1HG       MET  16 -11.161  -2.478  -3.686
   12   1HE   MET  16          1HE       MET  16 -12.949  -3.717  -5.083
   13   2HE   MET  16          2HE       MET  16 -13.883  -4.172  -3.656
   14   3HE   MET  16          3HE       MET  16 -13.437  -5.396  -4.845
   15    H    TRP  17           H        TRP  17  -6.350  -3.804  -3.830
   16    HA   TRP  17           HA       TRP  17  -5.186  -1.782  -2.039
   17   1HB   TRP  17          2HB       TRP  17  -4.108  -4.548  -2.591
   18   2HB   TRP  17          1HB       TRP  17  -3.145  -3.262  -1.882
   19    HD1  TRP  17           HD       TRP  17  -6.040  -5.625  -1.070
   20    HE1  TRP  17           1HE      TRP  17  -6.361  -5.677   1.482
   21    HE3  TRP  17           3HE      TRP  17  -2.792  -1.899   0.229
   22    HZ2  TRP  17           2HZ      TRP  17  -5.363  -4.321   3.749
   23    HZ3  TRP  17           3HZ      TRP  17  -2.531  -1.344   2.607
   24    HH2  TRP  17           HH       TRP  17  -3.790  -2.528   4.330
   25    H    THR  18           H        THR  18  -3.622  -0.506  -2.916
   26    HA   THR  18           HA       THR  18  -2.986  -0.967  -5.757
   27    HB   THR  18           HB       THR  18  -2.425   1.511  -5.775
   28    HG1  THR  18           1HG      THR  18  -4.116   1.999  -3.665
   29   1HG2  THR  18          1HG2      THR  18  -4.478   0.673  -6.773
   30   2HG2  THR  18          2HG2      THR  18  -4.787   2.206  -5.956
   31   3HG2  THR  18          3HG2      THR  18  -5.275   0.689  -5.200
   32    H    GLU  19           H        GLU  19  -0.851  -0.863  -6.436
   33    HA   GLU  19           HA       GLU  19   1.117  -1.025  -4.262
   34   1HB   GLU  19          2HB       GLU  19   0.927  -3.017  -5.659
   35   2HB   GLU  19          1HB       GLU  19   1.254  -2.059  -7.097
   36   1HG   GLU  19          2HG       GLU  19   3.485  -1.518  -6.170
   37   2HG   GLU  19          1HG       GLU  19   3.145  -2.598  -4.819
   38    H    HIS  20           H        HIS  20   2.694   0.387  -4.050
   39    HA   HIS  20           HA       HIS  20   3.643   1.947  -6.316
   40   1HB   HIS  20          2HB       HIS  20   2.319   3.137  -3.889
   41   2HB   HIS  20          1HB       HIS  20   3.530   4.039  -4.793
   42    HD1  HIS  20           1HD      HIS  20   2.899   4.726  -7.246
   43    HD2  HIS  20           2HD      HIS  20  -0.190   3.013  -5.054
   44    HE1  HIS  20           1HE      HIS  20   0.796   5.253  -8.520
   45    HE2  HIS  20           2HE      HIS  20  -1.047   4.125  -7.226
   46    H    LYS  21           H        LYS  21   5.718   2.983  -5.869
   47    HA   LYS  21           HA       LYS  21   7.121   1.585  -3.691
   48   1HB   LYS  21          2HB       LYS  21   7.720   1.144  -6.154
   49   2HB   LYS  21          1HB       LYS  21   8.468   2.735  -6.117
   50   1HG   LYS  21          2HG       LYS  21  10.028   2.057  -4.464
   51   2HG   LYS  21          1HG       LYS  21   9.166   0.542  -4.182
   52   1HD   LYS  21          2HD       LYS  21   9.669  -0.091  -6.546
   53   2HD   LYS  21          1HD       LYS  21  10.679   1.353  -6.662
   54   1HE   LYS  21          2HE       LYS  21  11.058  -0.948  -4.747
   55   2HE   LYS  21          1HE       LYS  21  12.034  -0.610  -6.177
   56   1HZ   LYS  21          1HZ       LYS  21  12.704   1.489  -5.158
   57   2HZ   LYS  21          2HZ       LYS  21  13.133   0.170  -4.191
   58   3HZ   LYS  21          3HZ       LYS  21  11.798   1.122  -3.777
   59    H    SER  22           H        SER  22   7.337   2.887  -2.005
   60    HA   SER  22           HA       SER  22   7.311   5.589  -1.805
   61   1HB   SER  22          2HB       SER  22   7.358   4.203   0.165
   62   2HB   SER  22          1HB       SER  22   8.973   3.624  -0.213
   63    HG   SER  22           HG       SER  22   9.276   6.165  -0.156
   64    HA   PRO  23           HA       PRO  23  10.741   7.194  -4.129
   65   1HB   PRO  23          2HB       PRO  23  10.718   9.275  -1.997
   66   2HB   PRO  23          1HB       PRO  23  10.684   9.461  -3.756
   67   1HG   PRO  23          2HG       PRO  23   8.480   9.824  -2.310
   68   2HG   PRO  23          1HG       PRO  23   8.411   9.020  -3.888
   69   1HD   PRO  23          2HD       PRO  23   8.255   7.842  -1.150
   70   2HD   PRO  23          1HD       PRO  23   7.415   7.362  -2.638
   71    H    ASP  24           H        ASP  24  10.917   7.034  -0.593
   72    HA   ASP  24           HA       ASP  24  13.660   7.399  -0.281
   73   1HB   ASP  24          2HB       ASP  24  12.079   7.340   1.605
   74   2HB   ASP  24          1HB       ASP  24  11.826   5.617   1.343
   75    H    GLY  25           H        GLY  25  11.838   4.670  -1.403
   76   1HA   GLY  25          2HA       GLY  25  13.129   3.186  -2.925
   77   2HA   GLY  25          1HA       GLY  25  14.356   3.139  -1.666
   78    H    ARG  26           H        ARG  26  10.883   3.018  -1.136
   79    HA   ARG  26           HA       ARG  26  11.158   0.201  -0.301
   80   1HB   ARG  26          2HB       ARG  26   9.220   1.975   1.104
   81   2HB   ARG  26          1HB       ARG  26  10.062   0.555   1.699
   82   1HG   ARG  26          2HG       ARG  26  11.336   3.237   1.221
   83   2HG   ARG  26          1HG       ARG  26  10.767   2.652   2.784
   84   1HD   ARG  26          2HD       ARG  26  12.893   1.341   1.093
   85   2HD   ARG  26          1HD       ARG  26  13.190   2.346   2.510
   86    HE   ARG  26           HE       ARG  26  11.557   0.415   3.461
   87   1HH1  ARG  26          1HH1      ARG  26  14.522   0.339   1.629
   88   2HH1  ARG  26          2HH1      ARG  26  15.043  -1.174   2.289
   89   1HH2  ARG  26          1HH2      ARG  26  12.236  -1.578   4.336
   90   2HH2  ARG  26          2HH2      ARG  26  13.743  -2.264   3.827
   91    H    THR  27           H        THR  27   8.995  -0.906  -0.148
   92    HA   THR  27           HA       THR  27   7.284   0.004  -2.363
   93    HB   THR  27           HB       THR  27   7.434  -2.782  -1.196
   94    HG1  THR  27           1HG      THR  27   9.238  -1.578  -2.672
   95   1HG2  THR  27          1HG2      THR  27   6.248  -1.749  -3.775
   96   2HG2  THR  27          2HG2      THR  27   5.333  -2.242  -2.349
   97   3HG2  THR  27          3HG2      THR  27   6.275  -3.431  -3.248
   98    H    TYR  28           H        TYR  28   5.657   1.191  -1.511
   99    HA   TYR  28           HA       TYR  28   4.335   0.173   0.911
  100   1HB   TYR  28          2HB       TYR  28   3.738   2.346   1.486
  101   2HB   TYR  28          1HB       TYR  28   5.331   2.567   0.771
  102    HD1  TYR  28           1HD      TYR  28   5.588   3.723  -1.349
  103    HD2  TYR  28           2HD      TYR  28   1.730   3.128   0.344
  104    HE1  TYR  28           1HE      TYR  28   4.658   5.398  -2.891
  105    HE2  TYR  28           2HE      TYR  28   0.790   4.798  -1.195
  106    HH   TYR  28           HH       TYR  28   1.529   6.706  -2.524
  107    H    TYR  29           H        TYR  29   1.949   0.520   1.026
  108    HA   TYR  29           HA       TYR  29   0.689   0.323  -1.623
  109   1HB   TYR  29          2HB       TYR  29   0.165  -1.532   0.707
  110   2HB   TYR  29          1HB       TYR  29  -0.737  -1.521  -0.806
  111    HD1  TYR  29           1HD      TYR  29   0.065  -2.679  -2.704
  112    HD2  TYR  29           2HD      TYR  29   2.612  -2.129   0.660
  113    HE1  TYR  29           1HE      TYR  29   1.692  -4.242  -3.684
  114    HE2  TYR  29           2HE      TYR  29   4.243  -3.689  -0.309
  115    HH   TYR  29           HH       TYR  29   4.093  -4.737  -3.535
  116    H    TYR  30           H        TYR  30  -1.553   0.826  -1.684
  117    HA   TYR  30           HA       TYR  30  -2.481   2.411   0.622
  118   1HB   TYR  30          2HB       TYR  30  -1.821   3.938  -1.133
  119   2HB   TYR  30          1HB       TYR  30  -2.740   3.033  -2.326
  120    HD1  TYR  30           1HD      TYR  30  -2.851   5.605   0.213
  121    HD2  TYR  30           2HD      TYR  30  -5.233   3.091  -2.256
  122    HE1  TYR  30           1HE      TYR  30  -4.787   7.062   0.610
  123    HE2  TYR  30           2HE      TYR  30  -7.180   4.543  -1.866
  124    HH   TYR  30           HH       TYR  30  -7.958   6.166  -0.180
  125    H    ASN  31           H        ASN  31  -4.177   1.458   1.514
  126    HA   ASN  31           HA       ASN  31  -5.778  -0.456   0.090
  127   1HB   ASN  31          2HB       ASN  31  -5.184  -0.587   2.548
  128   2HB   ASN  31          1HB       ASN  31  -6.325   0.723   2.819
  129   1HD2  ASN  31          1HD2      ASN  31  -7.625  -0.551   4.120
  130   2HD2  ASN  31          2HD2      ASN  31  -8.629  -1.803   3.478
  131    H    THR  32           H        THR  32  -7.451   0.028  -1.172
  132    HA   THR  32           HA       THR  32  -8.625   2.684  -1.038
  133    HB   THR  32           HB       THR  32  -8.151   1.883  -3.254
  134    HG1  THR  32           1HG      THR  32 -10.096   3.088  -3.009
  135   1HG2  THR  32          1HG2      THR  32  -8.191  -0.513  -2.862
  136   2HG2  THR  32          2HG2      THR  32  -9.284  -0.103  -4.186
  137   3HG2  THR  32          3HG2      THR  32  -9.933  -0.462  -2.586
  138    H    GLU  33           H        GLU  33  -9.245  -0.393   0.223
  139    HA   GLU  33           HA       GLU  33 -12.101  -0.266   0.304
  140   1HB   GLU  33          2HB       GLU  33 -10.611  -2.348   0.525
  141   2HB   GLU  33          1HB       GLU  33 -10.364  -1.850   2.192
  142   1HG   GLU  33          2HG       GLU  33 -13.062  -2.372   0.969
  143   2HG   GLU  33          1HG       GLU  33 -12.131  -3.567   1.873
  144    H    THR  34           H        THR  34  -9.574   0.184   2.776
  145    HA   THR  34           HA       THR  34 -11.479   1.423   4.583
  146    HB   THR  34           HB       THR  34  -8.494   1.096   4.939
  147    HG1  THR  34           1HG      THR  34  -9.676  -0.919   4.665
  148   1HG2  THR  34          1HG2      THR  34  -9.008   1.319   7.329
  149   2HG2  THR  34          2HG2      THR  34 -10.708   1.577   6.938
  150   3HG2  THR  34          3HG2      THR  34  -9.499   2.755   6.428
  151    H    LYS  35           H        LYS  35  -9.135   2.297   2.249
  152    HA   LYS  35           HA       LYS  35  -8.614   4.278   1.278
  153   1HB   LYS  35          2HB       LYS  35 -10.565   5.526   3.210
  154   2HB   LYS  35          1HB       LYS  35  -9.870   6.300   1.793
  155   1HG   LYS  35          2HG       LYS  35 -10.970   4.607   0.373
  156   2HG   LYS  35          1HG       LYS  35 -11.731   3.934   1.818
  157   1HD   LYS  35          2HD       LYS  35 -13.357   5.361   0.917
  158   2HD   LYS  35          1HD       LYS  35 -12.618   6.296   2.219
  159   1HE   LYS  35          2HE       LYS  35 -11.186   7.428   0.578
  160   2HE   LYS  35          1HE       LYS  35 -11.962   6.516  -0.716
  161   1HZ   LYS  35          1HZ       LYS  35 -12.918   8.710  -0.534
  162   2HZ   LYS  35          2HZ       LYS  35 -13.293   8.458   1.095
  163   3HZ   LYS  35          3HZ       LYS  35 -14.074   7.553  -0.101
  164    H    GLN  36           H        GLN  36  -6.660   3.536   2.580
  165    HA   GLN  36           HA       GLN  36  -5.542   5.880   3.813
  166   1HB   GLN  36          2HB       GLN  36  -4.885   4.756   5.907
  167   2HB   GLN  36          1HB       GLN  36  -6.631   4.906   5.755
  168   1HG   GLN  36          2HG       GLN  36  -6.870   2.612   5.215
  169   2HG   GLN  36          1HG       GLN  36  -5.133   2.420   5.016
  170   1HE2  GLN  36          1HE2      GLN  36  -6.412   4.316   7.580
  171   2HE2  GLN  36          2HE2      GLN  36  -6.048   3.228   8.869
  172    H    SER  37           H        SER  37  -3.215   5.522   4.374
  173    HA   SER  37           HA       SER  37  -2.031   3.653   2.436
  174   1HB   SER  37          2HB       SER  37  -0.677   6.012   3.756
  175   2HB   SER  37          1HB       SER  37  -0.143   5.120   2.331
  176    HG   SER  37           HG       SER  37  -1.269   7.214   2.002
  177    H    THR  38           H        THR  38  -0.420   2.220   3.051
  178    HA   THR  38           HA       THR  38   0.554   2.242   5.779
  179    HB   THR  38           HB       THR  38  -1.648   1.049   5.887
  180    HG1  THR  38           1HG      THR  38  -0.328   0.426   7.496
  181   1HG2  THR  38          1HG2      THR  38  -0.199  -0.992   4.192
  182   2HG2  THR  38          2HG2      THR  38  -1.590  -0.028   3.697
  183   3HG2  THR  38          3HG2      THR  38  -1.762  -1.230   4.974
  184    H    TRP  39           H        TRP  39   2.095   0.470   6.200
  185    HA   TRP  39           HA       TRP  39   3.684  -0.128   3.788
  186   1HB   TRP  39          2HB       TRP  39   4.443  -0.109   6.724
  187   2HB   TRP  39          1HB       TRP  39   5.530  -0.499   5.399
  188    HD1  TRP  39           HD       TRP  39   4.093   2.445   7.280
  189    HE1  TRP  39           1HE      TRP  39   5.152   4.610   6.354
  190    HE3  TRP  39           3HE      TRP  39   6.380   0.497   3.172
  191    HZ2  TRP  39           2HZ      TRP  39   6.762   5.370   4.139
  192    HZ3  TRP  39           3HZ      TRP  39   7.648   1.983   1.703
  193    HH2  TRP  39           HH       TRP  39   7.849   4.367   2.176
  194    H    GLU  40           H        GLU  40   2.960  -2.098   3.041
  195    HA   GLU  40           HA       GLU  40   3.723  -4.490   4.145
  196   1HB   GLU  40          2HB       GLU  40   2.194  -4.082   6.004
  197   2HB   GLU  40          1HB       GLU  40   0.859  -3.847   4.884
  198   1HG   GLU  40          2HG       GLU  40   0.740  -6.032   5.904
  199   2HG   GLU  40          1HG       GLU  40   1.048  -6.178   4.173
  200    H    LYS  41           H        LYS  41   3.559  -6.030   2.628
  201    HA   LYS  41           HA       LYS  41   1.995  -5.423   0.249
  202   1HB   LYS  41          2HB       LYS  41   3.264  -7.320  -0.761
  203   2HB   LYS  41          1HB       LYS  41   4.284  -6.022  -0.157
  204   1HG   LYS  41          2HG       LYS  41   4.852  -7.306   1.793
  205   2HG   LYS  41          1HG       LYS  41   3.713  -8.573   1.336
  206   1HD   LYS  41          2HD       LYS  41   5.955  -9.260   0.757
  207   2HD   LYS  41          1HD       LYS  41   5.034  -8.965  -0.718
  208   1HE   LYS  41          2HE       LYS  41   7.290  -8.047  -0.885
  209   2HE   LYS  41          1HE       LYS  41   6.075  -6.770  -0.940
  210   1HZ   LYS  41          1HZ       LYS  41   7.918  -6.159   0.486
  211   2HZ   LYS  41          2HZ       LYS  41   7.678  -7.535   1.441
  212   3HZ   LYS  41          3HZ       LYS  41   6.502  -6.320   1.400
  213    HA   PRO  42           HA       PRO  42  -1.115  -8.366   1.539
  214   1HB   PRO  42          2HB       PRO  42  -2.735  -8.174  -0.599
  215   2HB   PRO  42          1HB       PRO  42  -2.605  -6.872   0.591
  216   1HG   PRO  42          2HG       PRO  42  -1.315  -7.116  -2.099
  217   2HG   PRO  42          1HG       PRO  42  -2.080  -5.703  -1.350
  218   1HD   PRO  42          2HD       PRO  42   0.624  -6.111  -1.404
  219   2HD   PRO  42          1HD       PRO  42  -0.204  -5.176  -0.144
  220    HA   PRO   5           HA       PRO   5  -2.130   8.003  -7.267
  221   1HB   PRO   5          2HB       PRO   5   0.151   9.219  -6.501
  222   2HB   PRO   5          1HB       PRO   5  -0.243   8.941  -8.202
  223   1HG   PRO   5          2HG       PRO   5  -0.490  11.440  -6.580
  224   2HG   PRO   5          1HG       PRO   5   0.062  11.234  -8.253
  225   1HD   PRO   5          2HD       PRO   5  -2.459  12.071  -7.562
  226   2HD   PRO   5          1HD       PRO   5  -2.070  11.248  -9.084
  227    HA   PRO   6           HA       PRO   6  -2.981   8.232  -2.922
  228   1HB   PRO   6          2HB       PRO   6  -1.816   5.979  -2.078
  229   2HB   PRO   6          1HB       PRO   6  -3.233   5.948  -3.135
  230   1HG   PRO   6          2HG       PRO   6  -0.340   5.627  -3.841
  231   2HG   PRO   6          1HG       PRO   6  -1.733   4.664  -4.376
  232   1HD   PRO   6          2HD       PRO   6  -0.623   6.659  -5.873
  233   2HD   PRO   6          1HD       PRO   6  -2.338   6.212  -5.971
  234    HA   PRO   7           HA       PRO   7   0.566  10.008  -0.916
  235   1HB   PRO   7          2HB       PRO   7  -0.389  10.209   1.579
  236   2HB   PRO   7          1HB       PRO   7  -1.045  11.189   0.263
  237   1HG   PRO   7          2HG       PRO   7  -2.140   8.695   1.497
  238   2HG   PRO   7          1HG       PRO   7  -2.995  10.168   1.001
  239   1HD   PRO   7          2HD       PRO   7  -2.888   7.860  -0.493
  240   2HD   PRO   7          1HD       PRO   7  -3.157   9.479  -1.173
  241    H    LEU   8           H        LEU   8   2.316   9.420   0.414
  242    HA   LEU   8           HA       LEU   8   2.607   6.595   0.843
  243   1HB   LEU   8          2HB       LEU   8   4.502   7.834   0.073
  244   2HB   LEU   8          1HB       LEU   8   4.360   8.988   1.386
  245    HG   LEU   8           HG       LEU   8   4.825   6.838   2.866
  246   1HD1  LEU   8          1HD1      LEU   8   5.210   5.028   1.632
  247   2HD1  LEU   8          2HD1      LEU   8   6.741   5.787   1.198
  248   3HD1  LEU   8          3HD1      LEU   8   5.340   5.972   0.147
  249   1HD2  LEU   8          1HD2      LEU   8   7.190   7.419   2.829
  250   2HD2  LEU   8          2HD2      LEU   8   6.188   8.869   2.799
  251   3HD2  LEU   8          3HD2      LEU   8   6.963   8.301   1.319
  252    HA   PRO   9           HA       PRO   9   1.343   6.569   5.115
  253   1HB   PRO   9          2HB       PRO   9   2.819   4.120   5.562
  254   2HB   PRO   9          1HB       PRO   9   1.078   4.338   5.376
  255   1HG   PRO   9          2HG       PRO   9   2.638   3.051   3.545
  256   2HG   PRO   9          1HG       PRO   9   1.137   3.896   3.130
  257   1HD   PRO   9          2HD       PRO   9   3.971   4.820   2.848
  258   2HD   PRO   9          1HD       PRO   9   2.610   4.999   1.720
  259    HA   PRO  10           HA       PRO  10   4.880   7.998   7.396
  260   1HB   PRO  10          2HB       PRO  10   3.793   8.270   9.827
  261   2HB   PRO  10          1HB       PRO  10   3.299   9.304   8.483
  262   1HG   PRO  10          2HG       PRO  10   1.933   6.900   9.625
  263   2HG   PRO  10          1HG       PRO  10   1.230   8.440   9.097
  264   1HD   PRO  10          2HD       PRO  10   1.251   6.139   7.580
  265   2HD   PRO  10          1HD       PRO  10   1.136   7.779   6.910
  Start of MODEL    7
    1    H    SER  15           H        SER  15 -10.238  -8.243  -1.491
    2    HA   SER  15           HA       SER  15  -7.503  -7.495  -2.017
    3   1HB   SER  15          2HB       SER  15  -8.002  -8.218  -4.337
    4   2HB   SER  15          1HB       SER  15  -8.440  -9.444  -3.147
    5    HG   SER  15           HG       SER  15 -10.047  -7.931  -4.820
    6    H    MET  16           H        MET  16  -8.252  -5.247  -1.174
    7    HA   MET  16           HA       MET  16  -8.854  -3.596  -3.536
    8   1HB   MET  16          2HB       MET  16  -9.641  -2.802  -0.739
    9   2HB   MET  16          1HB       MET  16 -10.219  -2.148  -2.266
   10   1HG   MET  16          2HG       MET  16 -10.834  -4.872  -1.147
   11   2HG   MET  16          1HG       MET  16 -11.927  -3.492  -1.211
   12   1HE   MET  16          1HE       MET  16 -11.344  -2.250  -4.042
   13   2HE   MET  16          2HE       MET  16 -12.983  -2.530  -3.457
   14   3HE   MET  16          3HE       MET  16 -12.512  -3.089  -5.063
   15    H    TRP  17           H        TRP  17  -6.410  -3.805  -3.540
   16    HA   TRP  17           HA       TRP  17  -5.265  -1.612  -1.944
   17   1HB   TRP  17          2HB       TRP  17  -3.862  -4.217  -2.562
   18   2HB   TRP  17          1HB       TRP  17  -3.220  -2.878  -1.621
   19    HD1  TRP  17           HD       TRP  17  -5.868  -5.678  -1.389
   20    HE1  TRP  17           1HE      TRP  17  -6.311  -6.140   1.104
   21    HE3  TRP  17           3HE      TRP  17  -3.100  -1.891   0.646
   22    HZ2  TRP  17           2HZ      TRP  17  -5.583  -5.045   3.600
   23    HZ3  TRP  17           3HZ      TRP  17  -3.033  -1.670   3.090
   24    HH2  TRP  17           HH       TRP  17  -4.244  -3.213   4.539
   25    H    THR  18           H        THR  18  -3.324  -0.677  -2.841
   26    HA   THR  18           HA       THR  18  -2.982  -1.115  -5.736
   27    HB   THR  18           HB       THR  18  -2.641   1.244  -6.107
   28    HG1  THR  18           1HG      THR  18  -2.147   2.516  -4.500
   29   1HG2  THR  18          1HG2      THR  18  -4.956   0.481  -6.198
   30   2HG2  THR  18          2HG2      THR  18  -4.872   2.132  -5.583
   31   3HG2  THR  18          3HG2      THR  18  -5.138   0.790  -4.470
   32    H    GLU  19           H        GLU  19  -0.844  -0.897  -6.516
   33    HA   GLU  19           HA       GLU  19   1.178  -1.114  -4.394
   34   1HB   GLU  19          2HB       GLU  19   1.048  -3.067  -5.803
   35   2HB   GLU  19          1HB       GLU  19   1.186  -2.084  -7.254
   36   1HG   GLU  19          2HG       GLU  19   3.460  -1.452  -6.604
   37   2HG   GLU  19          1HG       GLU  19   3.320  -2.458  -5.163
   38    H    HIS  20           H        HIS  20   2.688   0.352  -4.136
   39    HA   HIS  20           HA       HIS  20   3.608   1.977  -6.366
   40   1HB   HIS  20          2HB       HIS  20   2.288   3.107  -3.904
   41   2HB   HIS  20          1HB       HIS  20   3.420   4.051  -4.868
   42    HD1  HIS  20           1HD      HIS  20   2.674   4.572  -7.358
   43    HD2  HIS  20           2HD      HIS  20  -0.267   2.946  -4.913
   44    HE1  HIS  20           1HE      HIS  20   0.501   4.990  -8.551
   45    HE2  HIS  20           2HE      HIS  20  -1.257   3.937  -7.085
   46    H    LYS  21           H        LYS  21   5.562   3.314  -5.683
   47    HA   LYS  21           HA       LYS  21   7.061   1.794  -3.650
   48   1HB   LYS  21          2HB       LYS  21   8.118   3.105  -6.156
   49   2HB   LYS  21          1HB       LYS  21   9.097   2.286  -4.949
   50   1HG   LYS  21          2HG       LYS  21   8.875   0.646  -6.528
   51   2HG   LYS  21          1HG       LYS  21   7.525   0.266  -5.458
   52   1HD   LYS  21          2HD       LYS  21   6.535   0.163  -7.545
   53   2HD   LYS  21          1HD       LYS  21   6.171   1.816  -7.049
   54   1HE   LYS  21          2HE       LYS  21   8.453   0.974  -8.835
   55   2HE   LYS  21          1HE       LYS  21   6.940   1.698  -9.379
   56   1HZ   LYS  21          1HZ       LYS  21   8.958   2.985  -7.620
   57   2HZ   LYS  21          2HZ       LYS  21   7.487   3.680  -8.084
   58   3HZ   LYS  21          3HZ       LYS  21   8.672   3.353  -9.246
   59    H    SER  22           H        SER  22   7.462   2.909  -1.888
   60    HA   SER  22           HA       SER  22   7.175   5.613  -1.463
   61   1HB   SER  22          2HB       SER  22   7.357   4.023   0.376
   62   2HB   SER  22          1HB       SER  22   9.027   3.672  -0.063
   63    HG   SER  22           HG       SER  22   9.474   5.232   1.268
   64    HA   PRO  23           HA       PRO  23  10.539   7.624  -3.482
   65   1HB   PRO  23          2HB       PRO  23  10.652   9.457  -1.159
   66   2HB   PRO  23          1HB       PRO  23  10.349   9.814  -2.862
   67   1HG   PRO  23          2HG       PRO  23   8.370   9.918  -1.081
   68   2HG   PRO  23          1HG       PRO  23   8.095   9.273  -2.713
   69   1HD   PRO  23          2HD       PRO  23   8.519   7.794  -0.137
   70   2HD   PRO  23          1HD       PRO  23   7.335   7.483  -1.423
   71    H    ASP  24           H        ASP  24  10.826   6.409  -0.268
   72    HA   ASP  24           HA       ASP  24  13.678   6.892  -0.099
   73   1HB   ASP  24          2HB       ASP  24  11.848   5.267   1.686
   74   2HB   ASP  24          1HB       ASP  24  13.528   5.663   2.036
   75    H    GLY  25           H        GLY  25  12.143   5.084  -2.108
   76   1HA   GLY  25          2HA       GLY  25  12.837   3.296  -3.390
   77   2HA   GLY  25          1HA       GLY  25  14.218   3.113  -2.318
   78    H    ARG  26           H        ARG  26  10.823   3.115  -1.335
   79    HA   ARG  26           HA       ARG  26  11.156   0.282  -0.563
   80   1HB   ARG  26          2HB       ARG  26   9.215   2.071   0.846
   81   2HB   ARG  26          1HB       ARG  26  10.030   0.630   1.434
   82   1HG   ARG  26          2HG       ARG  26  11.299   3.318   0.986
   83   2HG   ARG  26          1HG       ARG  26  10.836   2.636   2.544
   84   1HD   ARG  26          2HD       ARG  26  12.410   0.787   2.196
   85   2HD   ARG  26          1HD       ARG  26  12.886   1.491   0.651
   86    HE   ARG  26           HE       ARG  26  13.209   3.347   2.781
   87   1HH1  ARG  26          1HH1      ARG  26  14.657   0.556   1.281
   88   2HH1  ARG  26          2HH1      ARG  26  16.260   0.947   1.803
   89   1HH2  ARG  26          1HH2      ARG  26  15.318   3.870   3.473
   90   2HH2  ARG  26          2HH2      ARG  26  16.638   2.829   3.050
   91    H    THR  27           H        THR  27   9.040  -0.896  -0.343
   92    HA   THR  27           HA       THR  27   7.241  -0.087  -2.532
   93    HB   THR  27           HB       THR  27   7.635  -2.859  -1.379
   94    HG1  THR  27           1HG      THR  27   9.101  -3.157  -2.902
   95   1HG2  THR  27          1HG2      THR  27   5.405  -2.497  -2.325
   96   2HG2  THR  27          2HG2      THR  27   6.348  -3.601  -3.326
   97   3HG2  THR  27          3HG2      THR  27   6.131  -1.923  -3.826
   98    H    TYR  28           H        TYR  28   5.582   1.009  -1.642
   99    HA   TYR  28           HA       TYR  28   4.354  -0.108   0.789
  100   1HB   TYR  28          2HB       TYR  28   3.725   2.033   1.461
  101   2HB   TYR  28          1HB       TYR  28   5.321   2.290   0.760
  102    HD1  TYR  28           1HD      TYR  28   5.517   3.350  -1.487
  103    HD2  TYR  28           2HD      TYR  28   1.785   3.044   0.533
  104    HE1  TYR  28           1HE      TYR  28   4.587   5.092  -2.953
  105    HE2  TYR  28           2HE      TYR  28   0.842   4.782  -0.928
  106    HH   TYR  28           HH       TYR  28   1.599   6.626  -2.329
  107    H    TYR  29           H        TYR  29   1.954   0.266   0.964
  108    HA   TYR  29           HA       TYR  29   0.655   0.080  -1.672
  109   1HB   TYR  29          2HB       TYR  29   0.078  -1.735   0.680
  110   2HB   TYR  29          1HB       TYR  29  -0.744  -1.763  -0.876
  111    HD1  TYR  29           1HD      TYR  29   2.494  -2.386   0.801
  112    HD2  TYR  29           2HD      TYR  29   0.175  -2.935  -2.722
  113    HE1  TYR  29           1HE      TYR  29   4.161  -3.986  -0.039
  114    HE2  TYR  29           2HE      TYR  29   1.835  -4.538  -3.572
  115    HH   TYR  29           HH       TYR  29   4.326  -5.819  -1.613
  116    H    TYR  30           H        TYR  30  -1.486   0.777  -1.779
  117    HA   TYR  30           HA       TYR  30  -2.372   2.351   0.551
  118   1HB   TYR  30          2HB       TYR  30  -1.848   3.766  -1.373
  119   2HB   TYR  30          1HB       TYR  30  -2.919   2.814  -2.389
  120    HD1  TYR  30           1HD      TYR  30  -2.691   5.544  -0.028
  121    HD2  TYR  30           2HD      TYR  30  -5.387   2.887  -1.972
  122    HE1  TYR  30           1HE      TYR  30  -4.563   7.022   0.559
  123    HE2  TYR  30           2HE      TYR  30  -7.267   4.365  -1.397
  124    HH   TYR  30           HH       TYR  30  -7.801   6.090   0.294
  125    H    ASN  31           H        ASN  31  -4.161   1.710   1.528
  126    HA   ASN  31           HA       ASN  31  -5.771  -0.413   0.391
  127   1HB   ASN  31          2HB       ASN  31  -5.020  -0.129   2.872
  128   2HB   ASN  31          1HB       ASN  31  -6.366   0.998   2.980
  129   1HD2  ASN  31          1HD2      ASN  31  -7.878  -0.638   0.975
  130   2HD2  ASN  31          2HD2      ASN  31  -8.478  -1.985   1.878
  131    H    THR  32           H        THR  32  -7.306   0.133  -1.043
  132    HA   THR  32           HA       THR  32  -8.518   2.758  -0.983
  133    HB   THR  32           HB       THR  32  -8.023   1.878  -3.157
  134    HG1  THR  32           1HG      THR  32  -9.863   2.586  -3.950
  135   1HG2  THR  32          1HG2      THR  32  -9.191  -0.149  -4.013
  136   2HG2  THR  32          2HG2      THR  32  -9.764  -0.458  -2.372
  137   3HG2  THR  32          3HG2      THR  32  -8.037  -0.489  -2.723
  138    H    GLU  33           H        GLU  33  -9.166  -0.232   0.437
  139    HA   GLU  33           HA       GLU  33 -12.039  -0.002   0.471
  140   1HB   GLU  33          2HB       GLU  33 -10.949  -2.205   0.556
  141   2HB   GLU  33          1HB       GLU  33 -10.197  -1.777   2.086
  142   1HG   GLU  33          2HG       GLU  33 -12.117  -3.210   2.435
  143   2HG   GLU  33          1HG       GLU  33 -12.396  -1.614   3.129
  144    H    THR  34           H        THR  34  -9.599   0.000   3.079
  145    HA   THR  34           HA       THR  34 -11.390   1.297   4.910
  146    HB   THR  34           HB       THR  34  -8.405   0.936   5.225
  147    HG1  THR  34           1HG      THR  34  -9.218  -1.105   4.903
  148   1HG2  THR  34          1HG2      THR  34  -8.951   0.930   7.631
  149   2HG2  THR  34          2HG2      THR  34 -10.640   1.252   7.234
  150   3HG2  THR  34          3HG2      THR  34  -9.400   2.447   6.852
  151    H    LYS  35           H        LYS  35  -9.307   2.313   2.455
  152    HA   LYS  35           HA       LYS  35  -8.708   4.343   1.655
  153   1HB   LYS  35          2HB       LYS  35 -10.521   5.499   3.768
  154   2HB   LYS  35          1HB       LYS  35  -9.946   6.308   2.316
  155   1HG   LYS  35          2HG       LYS  35 -11.168   4.667   0.948
  156   2HG   LYS  35          1HG       LYS  35 -11.790   3.930   2.428
  157   1HD   LYS  35          2HD       LYS  35 -13.503   5.365   1.733
  158   2HD   LYS  35          1HD       LYS  35 -12.661   6.259   2.999
  159   1HE   LYS  35          2HE       LYS  35 -11.428   7.514   1.319
  160   2HE   LYS  35          1HE       LYS  35 -12.216   6.597   0.037
  161   1HZ   LYS  35          1HZ       LYS  35 -13.555   8.420   1.961
  162   2HZ   LYS  35          2HZ       LYS  35 -14.348   7.500   0.785
  163   3HZ   LYS  35          3HZ       LYS  35 -13.280   8.726   0.319
  164    H    GLN  36           H        GLN  36  -6.678   3.544   2.759
  165    HA   GLN  36           HA       GLN  36  -5.536   5.759   4.191
  166   1HB   GLN  36          2HB       GLN  36  -5.204   4.848   6.255
  167   2HB   GLN  36          1HB       GLN  36  -6.686   4.001   5.843
  168   1HG   GLN  36          2HG       GLN  36  -5.323   2.088   5.056
  169   2HG   GLN  36          1HG       GLN  36  -3.881   2.940   5.597
  170   1HE2  GLN  36          1HE2      GLN  36  -6.788   1.308   6.600
  171   2HE2  GLN  36          2HE2      GLN  36  -6.332   1.088   8.251
  172    H    SER  37           H        SER  37  -3.187   5.402   4.599
  173    HA   SER  37           HA       SER  37  -2.041   3.750   2.451
  174   1HB   SER  37          2HB       SER  37  -0.725   6.017   3.971
  175   2HB   SER  37          1HB       SER  37  -0.130   5.234   2.507
  176    HG   SER  37           HG       SER  37  -1.571   6.297   1.329
  177    H    THR  38           H        THR  38  -0.576   2.147   2.927
  178    HA   THR  38           HA       THR  38   0.313   1.924   5.711
  179    HB   THR  38           HB       THR  38  -1.771   0.553   5.359
  180    HG1  THR  38           1HG      THR  38  -0.059  -1.437   5.948
  181   1HG2  THR  38          1HG2      THR  38   0.094  -1.065   3.613
  182   2HG2  THR  38          2HG2      THR  38  -1.349  -0.199   3.082
  183   3HG2  THR  38          3HG2      THR  38  -1.499  -1.586   4.162
  184    H    TRP  39           H        TRP  39   1.981   0.349   6.065
  185    HA   TRP  39           HA       TRP  39   3.857   0.177   3.802
  186   1HB   TRP  39          2HB       TRP  39   4.235   0.168   6.800
  187   2HB   TRP  39          1HB       TRP  39   5.526  -0.245   5.680
  188    HD1  TRP  39           HD       TRP  39   3.802   2.710   7.243
  189    HE1  TRP  39           1HE      TRP  39   4.890   4.883   6.382
  190    HE3  TRP  39           3HE      TRP  39   6.606   0.742   3.473
  191    HZ2  TRP  39           2HZ      TRP  39   6.710   5.649   4.341
  192    HZ3  TRP  39           3HZ      TRP  39   7.984   2.241   2.117
  193    HH2  TRP  39           HH       TRP  39   8.042   4.643   2.544
  194    H    GLU  40           H        GLU  40   5.120  -1.770   3.579
  195    HA   GLU  40           HA       GLU  40   5.436  -4.013   3.417
  196   1HB   GLU  40          2HB       GLU  40   5.647  -3.923   5.861
  197   2HB   GLU  40          1HB       GLU  40   3.907  -4.106   6.024
  198   1HG   GLU  40          2HG       GLU  40   4.046  -6.318   4.983
  199   2HG   GLU  40          1HG       GLU  40   5.794  -6.133   4.845
  200    H    LYS  41           H        LYS  41   4.498  -5.650   2.343
  201    HA   LYS  41           HA       LYS  41   1.867  -5.314   1.347
  202   1HB   LYS  41          2HB       LYS  41   3.646  -6.366   0.031
  203   2HB   LYS  41          1HB       LYS  41   3.726  -7.695   1.178
  204   1HG   LYS  41          2HG       LYS  41   1.470  -8.373   0.585
  205   2HG   LYS  41          1HG       LYS  41   1.339  -7.010  -0.528
  206   1HD   LYS  41          2HD       LYS  41   3.137  -7.906  -1.886
  207   2HD   LYS  41          1HD       LYS  41   3.374  -9.228  -0.741
  208   1HE   LYS  41          2HE       LYS  41   0.883  -8.721  -2.364
  209   2HE   LYS  41          1HE       LYS  41   2.101  -9.948  -2.705
  210   1HZ   LYS  41          1HZ       LYS  41   1.589 -10.961  -0.547
  211   2HZ   LYS  41          2HZ       LYS  41   0.238 -10.925  -1.562
  212   3HZ   LYS  41          3HZ       LYS  41   0.371  -9.815  -0.293
  213    HA   PRO  42           HA       PRO  42  -0.420  -7.309   4.600
  214   1HB   PRO  42          2HB       PRO  42  -2.666  -7.961   3.178
  215   2HB   PRO  42          1HB       PRO  42  -2.334  -6.344   3.809
  216   1HG   PRO  42          2HG       PRO  42  -1.931  -7.422   1.048
  217   2HG   PRO  42          1HG       PRO  42  -2.561  -5.843   1.555
  218   1HD   PRO  42          2HD       PRO  42  -0.028  -6.165   0.691
  219   2HD   PRO  42          1HD       PRO  42  -0.451  -4.988   1.951
  220    HA   PRO   5           HA       PRO   5  -1.704   7.903  -7.451
  221   1HB   PRO   5          2HB       PRO   5   0.616   8.822  -6.465
  222   2HB   PRO   5          1HB       PRO   5   0.356   8.648  -8.206
  223   1HG   PRO   5          2HG       PRO   5   0.210  11.105  -6.504
  224   2HG   PRO   5          1HG       PRO   5   0.941  10.895  -8.106
  225   1HD   PRO   5          2HD       PRO   5  -1.539  11.983  -7.693
  226   2HD   PRO   5          1HD       PRO   5  -1.065  11.152  -9.185
  227    HA   PRO   6           HA       PRO   6  -2.914   8.281  -3.193
  228   1HB   PRO   6          2HB       PRO   6  -1.530   5.818  -2.541
  229   2HB   PRO   6          1HB       PRO   6  -3.262   6.106  -2.699
  230   1HG   PRO   6          2HG       PRO   6  -1.844   4.574  -4.432
  231   2HG   PRO   6          1HG       PRO   6  -3.302   5.468  -4.893
  232   1HD   PRO   6          2HD       PRO   6  -0.425   6.188  -5.341
  233   2HD   PRO   6          1HD       PRO   6  -1.814   6.356  -6.440
  234    HA   PRO   7           HA       PRO   7   0.597   9.902  -1.062
  235   1HB   PRO   7          2HB       PRO   7  -0.426  10.206   1.398
  236   2HB   PRO   7          1HB       PRO   7  -0.991  11.175   0.032
  237   1HG   PRO   7          2HG       PRO   7  -2.251   8.793   1.316
  238   2HG   PRO   7          1HG       PRO   7  -3.012  10.269   0.699
  239   1HD   PRO   7          2HD       PRO   7  -2.904   7.857  -0.654
  240   2HD   PRO   7          1HD       PRO   7  -3.144   9.442  -1.423
  241    H    LEU   8           H        LEU   8   2.281   9.335   0.285
  242    HA   LEU   8           HA       LEU   8   2.518   6.537   0.881
  243   1HB   LEU   8          2HB       LEU   8   4.408   7.808   0.018
  244   2HB   LEU   8          1HB       LEU   8   4.336   8.898   1.391
  245    HG   LEU   8           HG       LEU   8   4.789   6.748   2.790
  246   1HD1  LEU   8          1HD1      LEU   8   5.769   4.951   1.715
  247   2HD1  LEU   8          2HD1      LEU   8   6.120   5.879   0.262
  248   3HD1  LEU   8          3HD1      LEU   8   4.465   5.391   0.618
  249   1HD2  LEU   8          1HD2      LEU   8   6.909   8.013   1.055
  250   2HD2  LEU   8          2HD2      LEU   8   7.202   7.089   2.528
  251   3HD2  LEU   8          3HD2      LEU   8   6.333   8.622   2.608
  252    HA   PRO   9           HA       PRO   9   1.277   6.854   5.154
  253   1HB   PRO   9          2HB       PRO   9   2.621   4.417   5.844
  254   2HB   PRO   9          1HB       PRO   9   0.904   4.657   5.528
  255   1HG   PRO   9          2HG       PRO   9   2.619   3.205   3.923
  256   2HG   PRO   9          1HG       PRO   9   1.079   3.899   3.394
  257   1HD   PRO   9          2HD       PRO   9   3.855   4.896   2.970
  258   2HD   PRO   9          1HD       PRO   9   2.447   4.974   1.891
  259    HA   PRO  10           HA       PRO  10   4.922   8.312   7.250
  260   1HB   PRO  10          2HB       PRO  10   3.900   8.858   9.662
  261   2HB   PRO  10          1HB       PRO  10   3.426   9.787   8.234
  262   1HG   PRO  10          2HG       PRO  10   1.967   7.587   9.635
  263   2HG   PRO  10          1HG       PRO  10   1.331   9.088   8.942
  264   1HD   PRO  10          2HD       PRO  10   1.248   6.616   7.703
  265   2HD   PRO  10          1HD       PRO  10   1.138   8.173   6.860
  Start of MODEL    8
    1    H    SER  15           H        SER  15 -10.201  -7.978  -0.442
    2    HA   SER  15           HA       SER  15  -7.592  -7.037  -0.924
    3   1HB   SER  15          2HB       SER  15  -8.930  -8.655  -2.348
    4   2HB   SER  15          1HB       SER  15  -9.797  -7.255  -2.978
    5    HG   SER  15           HG       SER  15  -7.473  -8.216  -3.779
    6    H    MET  16           H        MET  16  -8.484  -5.541  -3.416
    7    HA   MET  16           HA       MET  16  -8.791  -3.401  -4.101
    8   1HB   MET  16          2HB       MET  16 -10.061  -2.991  -1.385
    9   2HB   MET  16          1HB       MET  16 -10.150  -1.876  -2.736
   10   1HG   MET  16          2HG       MET  16 -11.346  -3.546  -4.049
   11   2HG   MET  16          1HG       MET  16 -11.258  -4.670  -2.694
   12   1HE   MET  16          1HE       MET  16 -13.863  -5.022  -2.845
   13   2HE   MET  16          2HE       MET  16 -13.995  -3.866  -4.170
   14   3HE   MET  16          3HE       MET  16 -15.047  -3.717  -2.762
   15    H    TRP  17           H        TRP  17  -6.368  -3.781  -3.685
   16    HA   TRP  17           HA       TRP  17  -5.383  -1.579  -1.993
   17   1HB   TRP  17          2HB       TRP  17  -4.062  -4.267  -2.447
   18   2HB   TRP  17          1HB       TRP  17  -3.330  -2.916  -1.591
   19    HD1  TRP  17           HD       TRP  17  -6.150  -5.516  -1.206
   20    HE1  TRP  17           1HE      TRP  17  -6.690  -5.741   1.295
   21    HE3  TRP  17           3HE      TRP  17  -3.217  -1.738   0.620
   22    HZ2  TRP  17           2HZ      TRP  17  -5.980  -4.497   3.718
   23    HZ3  TRP  17           3HZ      TRP  17  -3.211  -1.327   3.045
   24    HH2  TRP  17           HH       TRP  17  -4.562  -2.679   4.561
   25    H    THR  18           H        THR  18  -3.433  -0.560  -2.757
   26    HA   THR  18           HA       THR  18  -2.934  -0.982  -5.635
   27    HB   THR  18           HB       THR  18  -2.421   1.409  -5.840
   28    HG1  THR  18           1HG      THR  18  -1.818   2.050  -3.827
   29   1HG2  THR  18          1HG2      THR  18  -4.713   2.286  -5.561
   30   2HG2  THR  18          2HG2      THR  18  -5.130   0.852  -4.623
   31   3HG2  THR  18          3HG2      THR  18  -4.694   0.696  -6.326
   32    H    GLU  19           H        GLU  19  -0.814  -0.992  -6.325
   33    HA   GLU  19           HA       GLU  19   1.182  -1.143  -4.174
   34   1HB   GLU  19          2HB       GLU  19   0.776  -3.152  -5.633
   35   2HB   GLU  19          1HB       GLU  19   1.417  -2.226  -6.982
   36   1HG   GLU  19          2HG       GLU  19   2.990  -2.687  -4.469
   37   2HG   GLU  19          1HG       GLU  19   2.993  -3.832  -5.808
   38    H    HIS  20           H        HIS  20   2.686   0.348  -4.001
   39    HA   HIS  20           HA       HIS  20   3.631   1.782  -6.359
   40   1HB   HIS  20          2HB       HIS  20   2.345   3.059  -3.958
   41   2HB   HIS  20          1HB       HIS  20   3.534   3.932  -4.919
   42    HD1  HIS  20           1HD      HIS  20   2.836   4.666  -7.294
   43    HD2  HIS  20           2HD      HIS  20  -0.155   2.707  -5.173
   44    HE1  HIS  20           1HE      HIS  20   0.715   5.087  -8.577
   45    HE2  HIS  20           2HE      HIS  20  -1.087   3.923  -7.256
   46    H    LYS  21           H        LYS  21   5.576   3.193  -5.741
   47    HA   LYS  21           HA       LYS  21   7.155   1.738  -3.722
   48   1HB   LYS  21          2HB       LYS  21   7.987   1.231  -5.912
   49   2HB   LYS  21          1HB       LYS  21   8.003   2.930  -6.359
   50   1HG   LYS  21          2HG       LYS  21   9.777   3.344  -4.728
   51   2HG   LYS  21          1HG       LYS  21   9.760   1.635  -4.284
   52   1HD   LYS  21          2HD       LYS  21  10.523   0.982  -6.440
   53   2HD   LYS  21          1HD       LYS  21  10.266   2.603  -7.092
   54   1HE   LYS  21          2HE       LYS  21  12.276   1.859  -4.968
   55   2HE   LYS  21          1HE       LYS  21  12.639   2.142  -6.670
   56   1HZ   LYS  21          1HZ       LYS  21  13.118   4.097  -5.361
   57   2HZ   LYS  21          2HZ       LYS  21  11.534   4.139  -4.770
   58   3HZ   LYS  21          3HZ       LYS  21  11.830   4.417  -6.412
   59    H    SER  22           H        SER  22   7.377   2.955  -1.962
   60    HA   SER  22           HA       SER  22   7.118   5.662  -1.677
   61   1HB   SER  22          2HB       SER  22   7.262   4.162   0.238
   62   2HB   SER  22          1HB       SER  22   8.946   3.815  -0.115
   63    HG   SER  22           HG       SER  22   8.630   6.457   0.041
   64    HA   PRO  23           HA       PRO  23  10.390   7.675  -3.886
   65   1HB   PRO  23          2HB       PRO  23  10.496   9.345  -1.408
   66   2HB   PRO  23          1HB       PRO  23  10.447   9.849  -3.101
   67   1HG   PRO  23          2HG       PRO  23   8.260   9.975  -1.596
   68   2HG   PRO  23          1HG       PRO  23   8.168   9.460  -3.291
   69   1HD   PRO  23          2HD       PRO  23   7.961   7.841  -0.804
   70   2HD   PRO  23          1HD       PRO  23   7.185   7.595  -2.380
   71    H    ASP  24           H        ASP  24  10.938   7.291  -0.375
   72    HA   ASP  24           HA       ASP  24  13.682   7.462  -0.314
   73   1HB   ASP  24          2HB       ASP  24  11.936   5.596   1.307
   74   2HB   ASP  24          1HB       ASP  24  13.593   6.041   1.707
   75    H    GLY  25           H        GLY  25  11.675   4.843  -1.424
   76   1HA   GLY  25          2HA       GLY  25  12.725   3.470  -3.207
   77   2HA   GLY  25          1HA       GLY  25  14.117   3.336  -2.141
   78    H    ARG  26           H        ARG  26  10.671   3.088  -1.350
   79    HA   ARG  26           HA       ARG  26  11.145   0.278  -0.576
   80   1HB   ARG  26          2HB       ARG  26   9.186   1.989   0.903
   81   2HB   ARG  26          1HB       ARG  26  10.023   0.542   1.444
   82   1HG   ARG  26          2HG       ARG  26  11.318   3.223   1.013
   83   2HG   ARG  26          1HG       ARG  26  10.786   2.591   2.571
   84   1HD   ARG  26          2HD       ARG  26  12.341   0.743   2.392
   85   2HD   ARG  26          1HD       ARG  26  12.824   1.272   0.782
   86    HE   ARG  26           HE       ARG  26  13.261   3.380   2.563
   87   1HH1  ARG  26          1HH1      ARG  26  14.467   0.178   1.910
   88   2HH1  ARG  26          2HH1      ARG  26  16.060   0.516   2.498
   89   1HH2  ARG  26          1HH2      ARG  26  15.358   3.838   3.338
   90   2HH2  ARG  26          2HH2      ARG  26  16.568   2.599   3.308
   91    H    THR  27           H        THR  27   9.092  -0.978  -0.360
   92    HA   THR  27           HA       THR  27   7.230  -0.214  -2.507
   93    HB   THR  27           HB       THR  27   7.729  -2.944  -1.292
   94    HG1  THR  27           1HG      THR  27   9.261  -3.076  -2.735
   95   1HG2  THR  27          1HG2      THR  27   6.043  -2.119  -3.658
   96   2HG2  THR  27          2HG2      THR  27   5.442  -2.713  -2.111
   97   3HG2  THR  27          3HG2      THR  27   6.371  -3.780  -3.163
   98    H    TYR  28           H        TYR  28   5.565   0.880  -1.618
   99    HA   TYR  28           HA       TYR  28   4.378  -0.209   0.847
  100   1HB   TYR  28          2HB       TYR  28   3.763   1.941   1.514
  101   2HB   TYR  28          1HB       TYR  28   5.355   2.182   0.799
  102    HD1  TYR  28           1HD      TYR  28   5.531   3.184  -1.486
  103    HD2  TYR  28           2HD      TYR  28   1.835   2.991   0.612
  104    HE1  TYR  28           1HE      TYR  28   4.603   4.911  -2.971
  105    HE2  TYR  28           2HE      TYR  28   0.896   4.715  -0.868
  106    HH   TYR  28           HH       TYR  28   1.644   6.504  -2.323
  107    H    TYR  29           H        TYR  29   1.996   0.187   1.064
  108    HA   TYR  29           HA       TYR  29   0.634  -0.004  -1.537
  109   1HB   TYR  29          2HB       TYR  29   0.176  -1.778   0.869
  110   2HB   TYR  29          1HB       TYR  29  -0.852  -1.750  -0.560
  111    HD1  TYR  29           1HD      TYR  29  -0.326  -3.064  -2.432
  112    HD2  TYR  29           2HD      TYR  29   2.625  -2.429   0.568
  113    HE1  TYR  29           1HE      TYR  29   1.122  -4.736  -3.507
  114    HE2  TYR  29           2HE      TYR  29   4.079  -4.097  -0.500
  115    HH   TYR  29           HH       TYR  29   3.508  -5.310  -3.617
  116    H    TYR  30           H        TYR  30  -1.502   0.733  -1.598
  117    HA   TYR  30           HA       TYR  30  -2.354   2.298   0.750
  118   1HB   TYR  30          2HB       TYR  30  -1.621   3.873  -0.882
  119   2HB   TYR  30          1HB       TYR  30  -2.444   3.022  -2.178
  120    HD1  TYR  30           1HD      TYR  30  -4.935   3.110  -2.312
  121    HD2  TYR  30           2HD      TYR  30  -2.739   5.519   0.415
  122    HE1  TYR  30           1HE      TYR  30  -6.891   4.579  -2.046
  123    HE2  TYR  30           2HE      TYR  30  -4.684   6.993   0.694
  124    HH   TYR  30           HH       TYR  30  -6.717   7.615  -0.557
  125    H    ASN  31           H        ASN  31  -4.255   1.698   1.546
  126    HA   ASN  31           HA       ASN  31  -5.897  -0.203   0.135
  127   1HB   ASN  31          2HB       ASN  31  -5.521  -0.333   2.593
  128   2HB   ASN  31          1HB       ASN  31  -6.418   1.169   2.780
  129   1HD2  ASN  31          1HD2      ASN  31  -7.218  -1.337   0.472
  130   2HD2  ASN  31          2HD2      ASN  31  -8.701  -1.815   1.218
  131    H    THR  32           H        THR  32  -7.579   0.244  -1.126
  132    HA   THR  32           HA       THR  32  -8.556   3.000  -1.217
  133    HB   THR  32           HB       THR  32  -7.959   2.094  -3.370
  134    HG1  THR  32           1HG      THR  32  -9.813   3.417  -3.364
  135   1HG2  THR  32          1HG2      THR  32  -8.121  -0.259  -3.005
  136   2HG2  THR  32          2HG2      THR  32  -9.244   0.149  -4.301
  137   3HG2  THR  32          3HG2      THR  32  -9.849  -0.147  -2.672
  138    H    GLU  33           H        GLU  33  -9.297   0.259   0.407
  139    HA   GLU  33           HA       GLU  33 -12.147   0.214   0.137
  140   1HB   GLU  33          2HB       GLU  33 -10.610  -1.694   0.917
  141   2HB   GLU  33          1HB       GLU  33 -10.595  -0.884   2.476
  142   1HG   GLU  33          2HG       GLU  33 -13.094  -1.792   1.070
  143   2HG   GLU  33          1HG       GLU  33 -12.241  -2.734   2.290
  144    H    THR  34           H        THR  34 -10.111   1.003   2.962
  145    HA   THR  34           HA       THR  34 -12.232   2.755   3.949
  146    HB   THR  34           HB       THR  34 -11.266   1.144   5.531
  147    HG1  THR  34           1HG      THR  34 -12.029   3.251   6.237
  148   1HG2  THR  34          1HG2      THR  34  -8.987   1.058   4.638
  149   2HG2  THR  34          2HG2      THR  34  -8.982   1.437   6.360
  150   3HG2  THR  34          3HG2      THR  34  -8.714   2.715   5.176
  151    H    LYS  35           H        LYS  35  -9.462   2.921   2.128
  152    HA   LYS  35           HA       LYS  35  -8.346   4.667   1.191
  153   1HB   LYS  35          2HB       LYS  35  -9.976   6.585   2.843
  154   2HB   LYS  35          1HB       LYS  35  -9.217   6.858   1.279
  155   1HG   LYS  35          2HG       LYS  35 -11.516   4.968   1.742
  156   2HG   LYS  35          1HG       LYS  35 -11.687   6.637   1.186
  157   1HD   LYS  35          2HD       LYS  35 -10.080   4.518  -0.241
  158   2HD   LYS  35          1HD       LYS  35 -11.740   4.953  -0.649
  159   1HE   LYS  35          2HE       LYS  35  -9.327   6.761  -0.746
  160   2HE   LYS  35          1HE       LYS  35 -10.194   6.090  -2.127
  161   1HZ   LYS  35          1HZ       LYS  35 -11.292   8.003  -0.138
  162   2HZ   LYS  35          2HZ       LYS  35 -12.160   7.335  -1.426
  163   3HZ   LYS  35          3HZ       LYS  35 -10.854   8.365  -1.732
  164    H    GLN  36           H        GLN  36  -6.569   3.810   2.458
  165    HA   GLN  36           HA       GLN  36  -5.423   5.875   4.121
  166   1HB   GLN  36          2HB       GLN  36  -5.375   4.819   6.138
  167   2HB   GLN  36          1HB       GLN  36  -6.853   4.107   5.515
  168   1HG   GLN  36          2HG       GLN  36  -5.886   2.182   6.131
  169   2HG   GLN  36          1HG       GLN  36  -5.047   2.339   4.594
  170   1HE2  GLN  36          1HE2      GLN  36  -4.381   4.452   7.232
  171   2HE2  GLN  36          2HE2      GLN  36  -2.815   3.836   7.615
  172    H    SER  37           H        SER  37  -3.139   5.407   4.665
  173    HA   SER  37           HA       SER  37  -1.911   3.824   2.515
  174   1HB   SER  37          2HB       SER  37  -0.590   5.957   4.202
  175   2HB   SER  37          1HB       SER  37   0.005   5.256   2.697
  176    HG   SER  37           HG       SER  37  -1.521   6.346   1.573
  177    H    THR  38           H        THR  38  -0.605   2.134   2.959
  178    HA   THR  38           HA       THR  38   0.206   1.697   5.750
  179    HB   THR  38           HB       THR  38  -1.826   0.330   5.142
  180    HG1  THR  38           1HG      THR  38  -1.003  -0.898   6.649
  181   1HG2  THR  38          1HG2      THR  38  -1.241  -0.169   2.823
  182   2HG2  THR  38          2HG2      THR  38  -1.458  -1.657   3.744
  183   3HG2  THR  38          3HG2      THR  38   0.165  -1.085   3.362
  184    H    TRP  39           H        TRP  39   1.962   0.179   6.023
  185    HA   TRP  39           HA       TRP  39   3.846   0.245   3.761
  186   1HB   TRP  39          2HB       TRP  39   4.200   0.140   6.747
  187   2HB   TRP  39          1HB       TRP  39   5.503  -0.337   5.667
  188    HD1  TRP  39           HD       TRP  39   4.005   2.656   7.289
  189    HE1  TRP  39           1HE      TRP  39   5.159   4.795   6.428
  190    HE3  TRP  39           3HE      TRP  39   6.531   0.654   3.332
  191    HZ2  TRP  39           2HZ      TRP  39   6.914   5.524   4.328
  192    HZ3  TRP  39           3HZ      TRP  39   7.920   2.132   1.948
  193    HH2  TRP  39           HH       TRP  39   8.115   4.511   2.433
  194    H    GLU  40           H        GLU  40   4.885  -1.589   3.070
  195    HA   GLU  40           HA       GLU  40   5.238  -3.790   2.639
  196   1HB   GLU  40          2HB       GLU  40   5.978  -3.860   4.992
  197   2HB   GLU  40          1HB       GLU  40   4.328  -4.202   5.494
  198   1HG   GLU  40          2HG       GLU  40   4.396  -6.288   4.181
  199   2HG   GLU  40          1HG       GLU  40   6.082  -5.953   3.787
  200    H    LYS  41           H        LYS  41   4.147  -5.462   1.737
  201    HA   LYS  41           HA       LYS  41   1.452  -5.188   1.130
  202   1HB   LYS  41          2HB       LYS  41   1.586  -7.483   0.242
  203   2HB   LYS  41          1HB       LYS  41   2.960  -6.504  -0.249
  204   1HG   LYS  41          2HG       LYS  41   4.328  -7.555   1.488
  205   2HG   LYS  41          1HG       LYS  41   2.947  -8.545   1.965
  206   1HD   LYS  41          2HD       LYS  41   4.173  -8.551  -0.792
  207   2HD   LYS  41          1HD       LYS  41   4.573  -9.713   0.475
  208   1HE   LYS  41          2HE       LYS  41   2.229 -10.427   0.549
  209   2HE   LYS  41          1HE       LYS  41   1.837  -9.268  -0.721
  210   1HZ   LYS  41          1HZ       LYS  41   3.695 -11.570  -0.989
  211   2HZ   LYS  41          2HZ       LYS  41   3.336 -10.454  -2.207
  212   3HZ   LYS  41          3HZ       LYS  41   2.129 -11.484  -1.622
  213    HA   PRO  42           HA       PRO  42  -0.505  -6.767   4.796
  214   1HB   PRO  42          2HB       PRO  42  -3.017  -7.046   3.860
  215   2HB   PRO  42          1HB       PRO  42  -2.296  -5.460   4.163
  216   1HG   PRO  42          2HG       PRO  42  -2.610  -6.937   1.578
  217   2HG   PRO  42          1HG       PRO  42  -2.887  -5.220   1.925
  218   1HD   PRO  42          2HD       PRO  42  -0.617  -6.156   0.746
  219   2HD   PRO  42          1HD       PRO  42  -0.657  -4.698   1.755
  220    HA   PRO   5           HA       PRO   5  -1.470   7.815  -7.373
  221   1HB   PRO   5          2HB       PRO   5   0.691   9.022  -6.326
  222   2HB   PRO   5          1HB       PRO   5   0.505   8.787  -8.069
  223   1HG   PRO   5          2HG       PRO   5   0.050  11.241  -6.427
  224   2HG   PRO   5          1HG       PRO   5   0.801  11.082  -8.023
  225   1HD   PRO   5          2HD       PRO   5  -1.799  11.880  -7.607
  226   2HD   PRO   5          1HD       PRO   5  -1.212  11.130  -9.104
  227    HA   PRO   6           HA       PRO   6  -2.816   8.056  -3.140
  228   1HB   PRO   6          2HB       PRO   6  -1.266   5.676  -2.532
  229   2HB   PRO   6          1HB       PRO   6  -3.015   5.852  -2.692
  230   1HG   PRO   6          2HG       PRO   6  -1.507   4.455  -4.462
  231   2HG   PRO   6          1HG       PRO   6  -3.003   5.295  -4.915
  232   1HD   PRO   6          2HD       PRO   6  -0.157   6.182  -5.272
  233   2HD   PRO   6          1HD       PRO   6  -1.520   6.282  -6.411
  234    HA   PRO   7           HA       PRO   7   0.600   9.817  -0.931
  235   1HB   PRO   7          2HB       PRO   7  -0.480  10.056   1.516
  236   2HB   PRO   7          1HB       PRO   7  -1.034  11.036   0.153
  237   1HG   PRO   7          2HG       PRO   7  -2.276   8.614   1.378
  238   2HG   PRO   7          1HG       PRO   7  -3.051  10.080   0.751
  239   1HD   PRO   7          2HD       PRO   7  -2.856   7.678  -0.612
  240   2HD   PRO   7          1HD       PRO   7  -3.117   9.261  -1.377
  241    H    LEU   8           H        LEU   8   2.282   9.261   0.443
  242    HA   LEU   8           HA       LEU   8   2.560   6.454   0.991
  243   1HB   LEU   8          2HB       LEU   8   4.416   7.839   0.168
  244   2HB   LEU   8          1HB       LEU   8   4.349   8.809   1.630
  245    HG   LEU   8           HG       LEU   8   4.874   6.614   2.871
  246   1HD1  LEU   8          1HD1      LEU   8   4.362   5.261   0.800
  247   2HD1  LEU   8          2HD1      LEU   8   5.861   4.868   1.635
  248   3HD1  LEU   8          3HD1      LEU   8   5.903   5.831   0.161
  249   1HD2  LEU   8          1HD2      LEU   8   7.265   6.915   2.506
  250   2HD2  LEU   8          2HD2      LEU   8   6.450   8.476   2.613
  251   3HD2  LEU   8          3HD2      LEU   8   6.937   7.842   1.041
  252    HA   PRO   9           HA       PRO   9   1.249   6.658   5.247
  253   1HB   PRO   9          2HB       PRO   9   2.657   4.240   5.901
  254   2HB   PRO   9          1HB       PRO   9   0.935   4.446   5.585
  255   1HG   PRO   9          2HG       PRO   9   2.674   3.064   3.953
  256   2HG   PRO   9          1HG       PRO   9   1.132   3.757   3.428
  257   1HD   PRO   9          2HD       PRO   9   3.903   4.799   3.067
  258   2HD   PRO   9          1HD       PRO   9   2.512   4.877   1.966
  259    HA   PRO  10           HA       PRO  10   4.804   8.175   7.441
  260   1HB   PRO  10          2HB       PRO  10   3.724   8.618   9.853
  261   2HB   PRO  10          1HB       PRO  10   3.247   9.573   8.442
  262   1HG   PRO  10          2HG       PRO  10   1.832   7.287   9.751
  263   2HG   PRO  10          1HG       PRO  10   1.163   8.790   9.092
  264   1HD   PRO  10          2HD       PRO  10   1.171   6.358   7.775
  265   2HD   PRO  10          1HD       PRO  10   1.042   7.939   6.977
  Start of MODEL    9
    1    H    SER  15           H        SER  15  -8.446  -6.918   1.467
    2    HA   SER  15           HA       SER  15  -7.347  -7.431  -1.181
    3   1HB   SER  15          2HB       SER  15  -9.346  -8.901  -0.993
    4   2HB   SER  15          1HB       SER  15 -10.334  -7.472  -0.694
    5    HG   SER  15           HG       SER  15 -10.482  -7.801  -2.844
    6    H    MET  16           H        MET  16  -8.364  -5.818  -2.801
    7    HA   MET  16           HA       MET  16  -8.706  -3.680  -3.477
    8   1HB   MET  16          2HB       MET  16  -9.922  -3.538  -0.735
    9   2HB   MET  16          1HB       MET  16  -9.803  -2.108  -1.746
   10   1HG   MET  16          2HG       MET  16 -11.972  -3.027  -2.030
   11   2HG   MET  16          1HG       MET  16 -11.060  -3.327  -3.508
   12   1HE   MET  16          1HE       MET  16 -12.951  -5.126  -4.204
   13   2HE   MET  16          2HE       MET  16 -13.793  -4.781  -2.693
   14   3HE   MET  16          3HE       MET  16 -13.448  -6.450  -3.147
   15    H    TRP  17           H        TRP  17  -6.288  -3.735  -3.460
   16    HA   TRP  17           HA       TRP  17  -5.298  -1.515  -1.811
   17   1HB   TRP  17          2HB       TRP  17  -3.623  -3.967  -2.336
   18   2HB   TRP  17          1HB       TRP  17  -3.262  -2.624  -1.262
   19    HD1  TRP  17           HD       TRP  17  -5.535  -5.712  -1.503
   20    HE1  TRP  17           1HE      TRP  17  -6.218  -6.398   0.880
   21    HE3  TRP  17           3HE      TRP  17  -3.506  -1.795   1.076
   22    HZ2  TRP  17           2HZ      TRP  17  -5.934  -5.414   3.505
   23    HZ3  TRP  17           3HZ      TRP  17  -3.756  -1.745   3.525
   24    HH2  TRP  17           HH       TRP  17  -4.946  -3.519   4.711
   25    H    THR  18           H        THR  18  -3.398  -0.476  -2.672
   26    HA   THR  18           HA       THR  18  -3.027  -0.920  -5.565
   27    HB   THR  18           HB       THR  18  -2.617   1.434  -5.873
   28    HG1  THR  18           1HG      THR  18  -2.718   1.485  -3.049
   29   1HG2  THR  18          1HG2      THR  18  -4.800   2.380  -5.293
   30   2HG2  THR  18          2HG2      THR  18  -5.086   1.045  -4.177
   31   3HG2  THR  18          3HG2      THR  18  -4.966   0.735  -5.909
   32    H    GLU  19           H        GLU  19  -0.915  -0.934  -6.342
   33    HA   GLU  19           HA       GLU  19   1.134  -1.115  -4.246
   34   1HB   GLU  19          2HB       GLU  19   0.782  -3.124  -5.627
   35   2HB   GLU  19          1HB       GLU  19   1.186  -2.197  -7.064
   36   1HG   GLU  19          2HG       GLU  19   3.436  -1.853  -6.256
   37   2HG   GLU  19          1HG       GLU  19   3.045  -2.677  -4.747
   38    H    HIS  20           H        HIS  20   2.702   0.305  -4.100
   39    HA   HIS  20           HA       HIS  20   3.630   1.769  -6.433
   40   1HB   HIS  20          2HB       HIS  20   2.477   3.110  -3.983
   41   2HB   HIS  20          1HB       HIS  20   3.509   3.942  -5.144
   42    HD1  HIS  20           1HD      HIS  20   2.515   4.225  -7.589
   43    HD2  HIS  20           2HD      HIS  20  -0.162   2.867  -4.716
   44    HE1  HIS  20           1HE      HIS  20   0.233   4.534  -8.597
   45    HE2  HIS  20           2HE      HIS  20  -1.375   3.739  -6.828
   46    H    LYS  21           H        LYS  21   5.573   3.197  -5.761
   47    HA   LYS  21           HA       LYS  21   7.127   1.703  -3.751
   48   1HB   LYS  21          2HB       LYS  21   7.787   1.282  -6.123
   49   2HB   LYS  21          1HB       LYS  21   8.202   2.984  -6.265
   50   1HG   LYS  21          2HG       LYS  21   9.882   2.713  -4.503
   51   2HG   LYS  21          1HG       LYS  21   9.477   0.999  -4.391
   52   1HD   LYS  21          2HD       LYS  21  10.524   2.388  -6.859
   53   2HD   LYS  21          1HD       LYS  21  11.491   1.408  -5.756
   54   1HE   LYS  21          2HE       LYS  21   9.175   0.481  -7.449
   55   2HE   LYS  21          1HE       LYS  21  10.876   0.087  -7.680
   56   1HZ   LYS  21          1HZ       LYS  21   9.219  -0.696  -5.342
   57   2HZ   LYS  21          2HZ       LYS  21  10.854  -1.069  -5.554
   58   3HZ   LYS  21          3HZ       LYS  21   9.698  -1.719  -6.603
   59    H    SER  22           H        SER  22   7.299   2.965  -2.006
   60    HA   SER  22           HA       SER  22   7.176   5.679  -1.760
   61   1HB   SER  22          2HB       SER  22   7.236   4.181   0.168
   62   2HB   SER  22          1HB       SER  22   8.913   3.774  -0.161
   63    HG   SER  22           HG       SER  22   9.534   5.614   0.678
   64    HA   PRO  23           HA       PRO  23  10.611   7.382  -4.016
   65   1HB   PRO  23          2HB       PRO  23  10.551   9.392  -1.813
   66   2HB   PRO  23          1HB       PRO  23  10.555   9.639  -3.563
   67   1HG   PRO  23          2HG       PRO  23   8.317   9.943  -2.160
   68   2HG   PRO  23          1HG       PRO  23   8.288   9.187  -3.764
   69   1HD   PRO  23          2HD       PRO  23   8.070   7.930  -1.068
   70   2HD   PRO  23          1HD       PRO  23   7.277   7.482  -2.591
   71    H    ASP  24           H        ASP  24  10.764   7.102  -0.485
   72    HA   ASP  24           HA       ASP  24  13.487   7.481  -0.111
   73   1HB   ASP  24          2HB       ASP  24  11.675   5.551   1.360
   74   2HB   ASP  24          1HB       ASP  24  13.237   6.125   1.934
   75    H    GLY  25           H        GLY  25  11.721   4.738  -1.335
   76   1HA   GLY  25          2HA       GLY  25  13.068   3.411  -2.980
   77   2HA   GLY  25          1HA       GLY  25  14.275   3.301  -1.708
   78    H    ARG  26           H        ARG  26  10.806   3.070  -1.176
   79    HA   ARG  26           HA       ARG  26  11.155   0.191  -0.618
   80   1HB   ARG  26          2HB       ARG  26   9.189   1.703   1.010
   81   2HB   ARG  26          1HB       ARG  26  10.194   0.332   1.451
   82   1HG   ARG  26          2HG       ARG  26  11.241   3.126   1.092
   83   2HG   ARG  26          1HG       ARG  26  10.719   2.461   2.640
   84   1HD   ARG  26          2HD       ARG  26  12.411   0.746   2.528
   85   2HD   ARG  26          1HD       ARG  26  12.873   1.258   0.905
   86    HE   ARG  26           HE       ARG  26  13.143   3.435   2.652
   87   1HH1  ARG  26          1HH1      ARG  26  14.605   0.339   2.006
   88   2HH1  ARG  26          2HH1      ARG  26  16.170   0.816   2.575
   89   1HH2  ARG  26          1HH2      ARG  26  15.200   4.071   3.401
   90   2HH2  ARG  26          2HH2      ARG  26  16.508   2.936   3.369
   91    H    THR  27           H        THR  27   9.048  -0.983  -0.522
   92    HA   THR  27           HA       THR  27   7.233   0.035  -2.601
   93    HB   THR  27           HB       THR  27   7.475  -2.815  -1.607
   94    HG1  THR  27           1HG      THR  27   8.467  -1.936  -4.097
   95   1HG2  THR  27          1HG2      THR  27   6.282  -3.371  -3.667
   96   2HG2  THR  27          2HG2      THR  27   6.204  -1.662  -4.094
   97   3HG2  THR  27          3HG2      THR  27   5.337  -2.257  -2.680
   98    H    TYR  28           H        TYR  28   5.527   1.052  -1.706
   99    HA   TYR  28           HA       TYR  28   4.370  -0.104   0.744
  100   1HB   TYR  28          2HB       TYR  28   3.646   2.033   1.398
  101   2HB   TYR  28          1HB       TYR  28   5.265   2.296   0.755
  102    HD1  TYR  28           1HD      TYR  28   5.518   3.275  -1.542
  103    HD2  TYR  28           2HD      TYR  28   1.759   3.100   0.442
  104    HE1  TYR  28           1HE      TYR  28   4.642   4.998  -3.062
  105    HE2  TYR  28           2HE      TYR  28   0.870   4.818  -1.075
  106    HH   TYR  28           HH       TYR  28   1.700   6.620  -2.508
  107    H    TYR  29           H        TYR  29   1.988   0.223   0.994
  108    HA   TYR  29           HA       TYR  29   0.589   0.019  -1.586
  109   1HB   TYR  29          2HB       TYR  29   0.251  -1.789   0.813
  110   2HB   TYR  29          1HB       TYR  29  -0.848  -1.761  -0.562
  111    HD1  TYR  29           1HD      TYR  29   2.643  -2.471   0.449
  112    HD2  TYR  29           2HD      TYR  29  -0.344  -2.952  -2.542
  113    HE1  TYR  29           1HE      TYR  29   4.075  -4.097  -0.711
  114    HE2  TYR  29           2HE      TYR  29   1.080  -4.579  -3.712
  115    HH   TYR  29           HH       TYR  29   3.843  -5.956  -2.298
  116    H    TYR  30           H        TYR  30  -1.346   1.030  -1.714
  117    HA   TYR  30           HA       TYR  30  -2.251   2.446   0.702
  118   1HB   TYR  30          2HB       TYR  30  -1.623   4.007  -1.011
  119   2HB   TYR  30          1HB       TYR  30  -2.542   3.134  -2.226
  120    HD1  TYR  30           1HD      TYR  30  -5.018   3.241  -2.216
  121    HD2  TYR  30           2HD      TYR  30  -2.668   5.626   0.411
  122    HE1  TYR  30           1HE      TYR  30  -6.959   4.693  -1.805
  123    HE2  TYR  30           2HE      TYR  30  -4.604   7.077   0.833
  124    HH   TYR  30           HH       TYR  30  -6.711   7.706  -0.283
  125    H    ASN  31           H        ASN  31  -3.981   1.646   1.635
  126    HA   ASN  31           HA       ASN  31  -5.646  -0.313   0.409
  127   1HB   ASN  31          2HB       ASN  31  -5.133  -0.189   2.861
  128   2HB   ASN  31          1HB       ASN  31  -6.161   1.236   2.955
  129   1HD2  ASN  31          1HD2      ASN  31  -6.811  -1.527   0.909
  130   2HD2  ASN  31          2HD2      ASN  31  -8.210  -2.070   1.762
  131    H    THR  32           H        THR  32  -7.318   0.014  -0.908
  132    HA   THR  32           HA       THR  32  -8.449   2.705  -1.096
  133    HB   THR  32           HB       THR  32  -7.809   1.707  -3.210
  134    HG1  THR  32           1HG      THR  32 -10.619   1.531  -3.261
  135   1HG2  THR  32          1HG2      THR  32  -8.017  -0.648  -2.632
  136   2HG2  THR  32          2HG2      THR  32  -8.955  -0.287  -4.077
  137   3HG2  THR  32          3HG2      THR  32  -9.768  -0.485  -2.524
  138    H    GLU  33           H        GLU  33  -9.075  -0.094   0.551
  139    HA   GLU  33           HA       GLU  33 -11.955  -0.068   0.371
  140   1HB   GLU  33          2HB       GLU  33  -9.974  -1.852   1.350
  141   2HB   GLU  33          1HB       GLU  33 -11.021  -1.448   2.701
  142   1HG   GLU  33          2HG       GLU  33 -12.973  -2.098   1.352
  143   2HG   GLU  33          1HG       GLU  33 -11.886  -2.569   0.046
  144    H    THR  34           H        THR  34  -9.770   0.311   3.157
  145    HA   THR  34           HA       THR  34 -11.739   1.826   4.613
  146    HB   THR  34           HB       THR  34  -8.829   1.437   5.331
  147    HG1  THR  34           1HG      THR  34 -10.575  -0.194   6.623
  148   1HG2  THR  34          1HG2      THR  34  -9.992   3.141   6.642
  149   2HG2  THR  34          2HG2      THR  34  -9.643   1.723   7.632
  150   3HG2  THR  34          3HG2      THR  34 -11.275   1.989   7.018
  151    H    LYS  35           H        LYS  35  -9.276   2.493   2.381
  152    HA   LYS  35           HA       LYS  35  -8.582   4.414   1.390
  153   1HB   LYS  35          2HB       LYS  35 -10.513   5.817   3.247
  154   2HB   LYS  35          1HB       LYS  35  -9.715   6.535   1.856
  155   1HG   LYS  35          2HG       LYS  35 -11.578   4.181   1.678
  156   2HG   LYS  35          1HG       LYS  35 -12.091   5.860   1.488
  157   1HD   LYS  35          2HD       LYS  35 -10.480   6.102  -0.374
  158   2HD   LYS  35          1HD       LYS  35 -10.076   4.392  -0.213
  159   1HE   LYS  35          2HE       LYS  35 -12.375   3.787  -0.725
  160   2HE   LYS  35          1HE       LYS  35 -12.817   5.491  -0.833
  161   1HZ   LYS  35          1HZ       LYS  35 -11.313   5.729  -2.706
  162   2HZ   LYS  35          2HZ       LYS  35 -12.455   4.519  -3.019
  163   3HZ   LYS  35          3HZ       LYS  35 -10.873   4.099  -2.597
  164    H    GLN  36           H        GLN  36  -6.683   3.628   2.682
  165    HA   GLN  36           HA       GLN  36  -5.550   5.894   4.067
  166   1HB   GLN  36          2HB       GLN  36  -4.846   4.477   6.025
  167   2HB   GLN  36          1HB       GLN  36  -6.563   4.857   5.960
  168   1HG   GLN  36          2HG       GLN  36  -7.019   2.652   5.022
  169   2HG   GLN  36          1HG       GLN  36  -5.299   2.267   5.091
  170   1HE2  GLN  36          1HE2      GLN  36  -7.564   0.957   6.387
  171   2HE2  GLN  36          2HE2      GLN  36  -7.236   0.995   8.084
  172    H    SER  37           H        SER  37  -3.218   5.460   4.626
  173    HA   SER  37           HA       SER  37  -2.032   3.820   2.497
  174   1HB   SER  37          2HB       SER  37  -0.682   5.978   4.134
  175   2HB   SER  37          1HB       SER  37  -0.104   5.247   2.636
  176    HG   SER  37           HG       SER  37  -1.581   6.357   1.503
  177    H    THR  38           H        THR  38  -0.621   2.185   2.951
  178    HA   THR  38           HA       THR  38   0.215   1.812   5.732
  179    HB   THR  38           HB       THR  38  -1.871   0.522   5.427
  180    HG1  THR  38           1HG      THR  38  -0.456  -1.644   5.732
  181   1HG2  THR  38          1HG2      THR  38  -0.275  -1.024   3.379
  182   2HG2  THR  38          2HG2      THR  38  -1.643   0.034   3.032
  183   3HG2  THR  38          3HG2      THR  38  -1.884  -1.441   3.970
  184    H    TRP  39           H        TRP  39   1.903   0.238   6.023
  185    HA   TRP  39           HA       TRP  39   3.712   0.090   3.702
  186   1HB   TRP  39          2HB       TRP  39   4.185   0.018   6.685
  187   2HB   TRP  39          1HB       TRP  39   5.428  -0.424   5.523
  188    HD1  TRP  39           HD       TRP  39   3.910   2.546   7.218
  189    HE1  TRP  39           1HE      TRP  39   5.041   4.699   6.359
  190    HE3  TRP  39           3HE      TRP  39   6.421   0.584   3.232
  191    HZ2  TRP  39           2HZ      TRP  39   6.776   5.451   4.247
  192    HZ3  TRP  39           3HZ      TRP  39   7.786   2.077   1.842
  193    HH2  TRP  39           HH       TRP  39   7.966   4.457   2.337
  194    H    GLU  40           H        GLU  40   5.090  -1.856   3.579
  195    HA   GLU  40           HA       GLU  40   5.394  -4.096   3.369
  196   1HB   GLU  40          2HB       GLU  40   5.402  -4.002   5.849
  197   2HB   GLU  40          1HB       GLU  40   3.670  -4.300   5.840
  198   1HG   GLU  40          2HG       GLU  40   4.062  -6.458   4.742
  199   2HG   GLU  40          1HG       GLU  40   5.799  -6.161   4.813
  200    H    LYS  41           H        LYS  41   4.506  -5.734   2.230
  201    HA   LYS  41           HA       LYS  41   2.041  -5.366   0.962
  202   1HB   LYS  41          2HB       LYS  41   3.785  -6.688  -0.070
  203   2HB   LYS  41          1HB       LYS  41   3.727  -7.858   1.242
  204   1HG   LYS  41          2HG       LYS  41   2.025  -8.964   0.320
  205   2HG   LYS  41          1HG       LYS  41   1.148  -7.479  -0.056
  206   1HD   LYS  41          2HD       LYS  41   2.493  -7.155  -2.045
  207   2HD   LYS  41          1HD       LYS  41   3.465  -8.573  -1.650
  208   1HE   LYS  41          2HE       LYS  41   0.498  -8.619  -2.184
  209   2HE   LYS  41          1HE       LYS  41   1.735  -8.993  -3.385
  210   1HZ   LYS  41          1HZ       LYS  41   0.838 -10.997  -2.376
  211   2HZ   LYS  41          2HZ       LYS  41   1.303 -10.462  -0.838
  212   3HZ   LYS  41          3HZ       LYS  41   2.479 -10.824  -1.999
  213    HA   PRO  42           HA       PRO  42  -0.436  -7.027   4.350
  214   1HB   PRO  42          2HB       PRO  42  -2.778  -5.976   3.613
  215   2HB   PRO  42          1HB       PRO  42  -1.489  -4.965   4.282
  216   1HG   PRO  42          2HG       PRO  42  -2.314  -5.344   1.432
  217   2HG   PRO  42          1HG       PRO  42  -1.853  -3.856   2.277
  218   1HD   PRO  42          2HD       PRO  42  -0.172  -5.326   0.654
  219   2HD   PRO  42          1HD       PRO  42   0.370  -4.213   1.927
  220    HA   PRO   5           HA       PRO   5  -1.437   7.925  -7.432
  221   1HB   PRO   5          2HB       PRO   5   0.637   9.552  -6.238
  222   2HB   PRO   5          1HB       PRO   5   0.765   8.408  -7.574
  223   1HG   PRO   5          2HG       PRO   5   1.050  11.107  -7.866
  224   2HG   PRO   5          1HG       PRO   5   0.491  10.033  -9.159
  225   1HD   PRO   5          2HD       PRO   5  -1.101  11.806  -7.342
  226   2HD   PRO   5          1HD       PRO   5  -1.300  11.503  -9.082
  227    HA   PRO   6           HA       PRO   6  -2.859   8.227  -3.225
  228   1HB   PRO   6          2HB       PRO   6  -1.412   5.782  -2.601
  229   2HB   PRO   6          1HB       PRO   6  -3.150   6.029  -2.770
  230   1HG   PRO   6          2HG       PRO   6  -1.705   4.573  -4.532
  231   2HG   PRO   6          1HG       PRO   6  -3.148   5.490  -4.998
  232   1HD   PRO   6          2HD       PRO   6  -0.255   6.231  -5.319
  233   2HD   PRO   6          1HD       PRO   6  -1.596   6.401  -6.475
  234    HA   PRO   7           HA       PRO   7   0.560   9.885  -0.950
  235   1HB   PRO   7          2HB       PRO   7  -0.886   9.673   1.536
  236   2HB   PRO   7          1HB       PRO   7  -0.618  11.106   0.543
  237   1HG   PRO   7          2HG       PRO   7  -3.065   9.927   0.908
  238   2HG   PRO   7          1HG       PRO   7  -2.634  10.910  -0.502
  239   1HD   PRO   7          2HD       PRO   7  -2.735   7.929  -0.223
  240   2HD   PRO   7          1HD       PRO   7  -3.230   8.957  -1.589
  241    H    LEU   8           H        LEU   8   2.230   9.296   0.411
  242    HA   LEU   8           HA       LEU   8   2.498   6.484   0.918
  243   1HB   LEU   8          2HB       LEU   8   4.363   7.859   0.117
  244   2HB   LEU   8          1HB       LEU   8   4.296   8.824   1.581
  245    HG   LEU   8           HG       LEU   8   4.786   6.603   2.807
  246   1HD1  LEU   8          1HD1      LEU   8   6.001   5.833   0.190
  247   2HD1  LEU   8          2HD1      LEU   8   4.344   5.377   0.574
  248   3HD1  LEU   8          3HD1      LEU   8   5.665   4.839   1.605
  249   1HD2  LEU   8          1HD2      LEU   8   7.188   6.907   2.487
  250   2HD2  LEU   8          2HD2      LEU   8   6.366   8.461   2.638
  251   3HD2  LEU   8          3HD2      LEU   8   6.879   7.886   1.052
  252    HA   PRO   9           HA       PRO   9   1.207   6.606   5.184
  253   1HB   PRO   9          2HB       PRO   9   2.628   4.167   5.753
  254   2HB   PRO   9          1HB       PRO   9   0.899   4.392   5.496
  255   1HG   PRO   9          2HG       PRO   9   2.550   3.031   3.776
  256   2HG   PRO   9          1HG       PRO   9   1.026   3.795   3.301
  257   1HD   PRO   9          2HD       PRO   9   3.828   4.771   2.956
  258   2HD   PRO   9          1HD       PRO   9   2.441   4.900   1.853
  259    HA   PRO  10           HA       PRO  10   4.751   8.078   7.422
  260   1HB   PRO  10          2HB       PRO  10   3.686   8.369   9.868
  261   2HB   PRO  10          1HB       PRO  10   3.198   9.403   8.520
  262   1HG   PRO  10          2HG       PRO  10   1.805   7.026   9.685
  263   2HG   PRO  10          1HG       PRO  10   1.122   8.568   9.140
  264   1HD   PRO  10          2HD       PRO  10   1.106   6.253   7.653
  265   2HD   PRO  10          1HD       PRO  10   1.020   7.883   6.962
  Start of MODEL   10
    1    H    SER  15           H        SER  15  -7.651  -8.690  -0.143
    2    HA   SER  15           HA       SER  15  -7.367  -7.518  -2.069
    3   1HB   SER  15          2HB       SER  15 -10.394  -7.632  -2.145
    4   2HB   SER  15          1HB       SER  15  -9.342  -7.268  -3.514
    5    HG   SER  15           HG       SER  15  -9.899  -9.690  -2.291
    6    H    MET  16           H        MET  16  -8.694  -5.500  -3.327
    7    HA   MET  16           HA       MET  16  -9.110  -3.266  -3.341
    8   1HB   MET  16          2HB       MET  16  -9.690  -3.688  -0.404
    9   2HB   MET  16          1HB       MET  16  -9.951  -2.173  -1.255
   10   1HG   MET  16          2HG       MET  16 -11.272  -4.784  -1.954
   11   2HG   MET  16          1HG       MET  16 -12.000  -3.512  -0.973
   12   1HE   MET  16          1HE       MET  16 -14.093  -3.400  -2.503
   13   2HE   MET  16          2HE       MET  16 -13.470  -4.667  -3.561
   14   3HE   MET  16          3HE       MET  16 -14.053  -3.151  -4.249
   15    H    TRP  17           H        TRP  17  -6.580  -3.769  -3.538
   16    HA   TRP  17           HA       TRP  17  -5.292  -1.726  -1.881
   17   1HB   TRP  17          2HB       TRP  17  -4.274  -4.540  -2.276
   18   2HB   TRP  17          1HB       TRP  17  -3.256  -3.220  -1.721
   19    HD1  TRP  17           HD       TRP  17  -6.120  -5.478  -0.572
   20    HE1  TRP  17           1HE      TRP  17  -6.304  -5.323   1.991
   21    HE3  TRP  17           3HE      TRP  17  -2.798  -1.687   0.244
   22    HZ2  TRP  17           2HZ      TRP  17  -5.178  -3.794   4.085
   23    HZ3  TRP  17           3HZ      TRP  17  -2.405  -0.938   2.552
   24    HH2  TRP  17           HH       TRP  17  -3.571  -1.969   4.433
   25    H    THR  18           H        THR  18  -3.544  -0.682  -2.840
   26    HA   THR  18           HA       THR  18  -3.083  -1.308  -5.688
   27    HB   THR  18           HB       THR  18  -2.711   1.037  -6.131
   28    HG1  THR  18           1HG      THR  18  -3.451   1.678  -3.477
   29   1HG2  THR  18          1HG2      THR  18  -4.947   1.955  -5.673
   30   2HG2  THR  18          2HG2      THR  18  -5.244   0.641  -4.535
   31   3HG2  THR  18          3HG2      THR  18  -5.027   0.291  -6.249
   32    H    GLU  19           H        GLU  19  -0.935  -1.093  -6.457
   33    HA   GLU  19           HA       GLU  19   1.061  -1.278  -4.312
   34   1HB   GLU  19          2HB       GLU  19   0.845  -3.237  -5.778
   35   2HB   GLU  19          1HB       GLU  19   1.219  -2.234  -7.171
   36   1HG   GLU  19          2HG       GLU  19   3.439  -1.785  -6.257
   37   2HG   GLU  19          1HG       GLU  19   3.061  -2.785  -4.855
   38    H    HIS  20           H        HIS  20   2.645   0.129  -4.098
   39    HA   HIS  20           HA       HIS  20   3.547   1.769  -6.316
   40   1HB   HIS  20          2HB       HIS  20   2.228   2.905  -3.855
   41   2HB   HIS  20          1HB       HIS  20   3.355   3.845  -4.825
   42    HD1  HIS  20           1HD      HIS  20   2.604   4.328  -7.333
   43    HD2  HIS  20           2HD      HIS  20  -0.336   2.779  -4.837
   44    HE1  HIS  20           1HE      HIS  20   0.426   4.749  -8.517
   45    HE2  HIS  20           2HE      HIS  20  -1.343   3.885  -6.945
   46    H    LYS  21           H        LYS  21   5.435   3.224  -5.503
   47    HA   LYS  21           HA       LYS  21   6.927   1.747  -3.435
   48   1HB   LYS  21          2HB       LYS  21   7.849   2.612  -6.161
   49   2HB   LYS  21          1HB       LYS  21   8.991   2.297  -4.862
   50   1HG   LYS  21          2HG       LYS  21   8.157   0.013  -4.673
   51   2HG   LYS  21          1HG       LYS  21   6.998   0.328  -5.968
   52   1HD   LYS  21          2HD       LYS  21   8.708   0.563  -7.576
   53   2HD   LYS  21          1HD       LYS  21   9.961   0.686  -6.340
   54   1HE   LYS  21          2HE       LYS  21   8.299  -1.766  -6.908
   55   2HE   LYS  21          1HE       LYS  21   9.955  -1.507  -7.458
   56   1HZ   LYS  21          1HZ       LYS  21  10.661  -1.392  -5.147
   57   2HZ   LYS  21          2HZ       LYS  21   9.893  -2.867  -5.466
   58   3HZ   LYS  21          3HZ       LYS  21   9.072  -1.650  -4.625
   59    H    SER  22           H        SER  22   7.403   2.999  -1.786
   60    HA   SER  22           HA       SER  22   7.185   5.732  -1.607
   61   1HB   SER  22          2HB       SER  22   7.411   4.164   0.322
   62   2HB   SER  22          1HB       SER  22   9.123   4.014  -0.053
   63    HG   SER  22           HG       SER  22   9.486   5.995   0.663
   64    HA   PRO  23           HA       PRO  23  10.529   7.471  -3.899
   65   1HB   PRO  23          2HB       PRO  23  10.654   9.528  -1.769
   66   2HB   PRO  23          1HB       PRO  23  10.372   9.717  -3.503
   67   1HG   PRO  23          2HG       PRO  23   8.380  10.012  -1.754
   68   2HG   PRO  23          1HG       PRO  23   8.111   9.228  -3.322
   69   1HD   PRO  23          2HD       PRO  23   8.444   7.988  -0.614
   70   2HD   PRO  23          1HD       PRO  23   7.322   7.552  -1.920
   71    H    ASP  24           H        ASP  24  10.839   6.593  -0.579
   72    HA   ASP  24           HA       ASP  24  13.686   7.120  -0.472
   73   1HB   ASP  24          2HB       ASP  24  12.151   7.329   1.525
   74   2HB   ASP  24          1HB       ASP  24  12.005   5.574   1.512
   75    H    GLY  25           H        GLY  25  12.203   5.088  -2.289
   76   1HA   GLY  25          2HA       GLY  25  12.973   3.194  -3.373
   77   2HA   GLY  25          1HA       GLY  25  14.304   3.119  -2.226
   78    H    ARG  26           H        ARG  26  10.921   3.257  -1.293
   79    HA   ARG  26           HA       ARG  26  11.171   0.495  -0.284
   80   1HB   ARG  26          2HB       ARG  26   9.156   2.327   0.896
   81   2HB   ARG  26          1HB       ARG  26  10.131   1.084   1.667
   82   1HG   ARG  26          2HG       ARG  26  12.059   2.529   1.662
   83   2HG   ARG  26          1HG       ARG  26  11.168   3.753   0.755
   84   1HD   ARG  26          2HD       ARG  26   9.735   4.200   2.576
   85   2HD   ARG  26          1HD       ARG  26  10.276   2.769   3.448
   86    HE   ARG  26           HE       ARG  26  12.544   4.168   3.260
   87   1HH1  ARG  26          1HH1      ARG  26   9.329   5.125   4.207
   88   2HH1  ARG  26          2HH1      ARG  26   9.878   6.367   5.282
   89   1HH2  ARG  26          1HH2      ARG  26  13.271   5.804   4.674
   90   2HH2  ARG  26          2HH2      ARG  26  12.116   6.754   5.545
   91    H    THR  27           H        THR  27   9.045  -0.639  -0.040
   92    HA   THR  27           HA       THR  27   7.302  -0.001  -2.329
   93    HB   THR  27           HB       THR  27   7.666  -2.690  -0.988
   94    HG1  THR  27           1HG      THR  27   8.977  -3.196  -2.713
   95   1HG2  THR  27          1HG2      THR  27   6.262  -1.916  -3.549
   96   2HG2  THR  27          2HG2      THR  27   5.474  -2.388  -2.044
   97   3HG2  THR  27          3HG2      THR  27   6.451  -3.557  -2.931
   98    H    TYR  28           H        TYR  28   5.507   1.004  -1.657
   99    HA   TYR  28           HA       TYR  28   4.244   0.033   0.822
  100   1HB   TYR  28          2HB       TYR  28   3.615   2.203   1.417
  101   2HB   TYR  28          1HB       TYR  28   5.247   2.413   0.786
  102    HD1  TYR  28           1HD      TYR  28   5.543   3.331  -1.532
  103    HD2  TYR  28           2HD      TYR  28   1.766   3.294   0.424
  104    HE1  TYR  28           1HE      TYR  28   4.724   5.042  -3.096
  105    HE2  TYR  28           2HE      TYR  28   0.933   5.002  -1.137
  106    HH   TYR  28           HH       TYR  28   1.833   6.758  -2.598
  107    H    TYR  29           H        TYR  29   1.869   0.359   0.909
  108    HA   TYR  29           HA       TYR  29   0.640   0.215  -1.761
  109   1HB   TYR  29          2HB       TYR  29   0.157  -1.654   0.566
  110   2HB   TYR  29          1HB       TYR  29  -0.880  -1.572  -0.853
  111    HD1  TYR  29           1HD      TYR  29  -0.391  -2.855  -2.739
  112    HD2  TYR  29           2HD      TYR  29   2.643  -2.211   0.172
  113    HE1  TYR  29           1HE      TYR  29   1.058  -4.464  -3.903
  114    HE2  TYR  29           2HE      TYR  29   4.102  -3.817  -0.984
  115    HH   TYR  29           HH       TYR  29   3.887  -5.724  -2.527
  116    H    TYR  30           H        TYR  30  -1.563   0.824  -1.876
  117    HA   TYR  30           HA       TYR  30  -2.439   2.478   0.405
  118   1HB   TYR  30          2HB       TYR  30  -1.879   3.838  -1.551
  119   2HB   TYR  30          1HB       TYR  30  -2.974   2.889  -2.546
  120    HD1  TYR  30           1HD      TYR  30  -5.445   3.002  -2.082
  121    HD2  TYR  30           2HD      TYR  30  -2.667   5.673  -0.284
  122    HE1  TYR  30           1HE      TYR  30  -7.288   4.538  -1.534
  123    HE2  TYR  30           2HE      TYR  30  -4.502   7.211   0.278
  124    HH   TYR  30           HH       TYR  30  -7.781   6.328   0.051
  125    H    ASN  31           H        ASN  31  -4.143   1.715   1.431
  126    HA   ASN  31           HA       ASN  31  -5.779  -0.369   0.303
  127   1HB   ASN  31          2HB       ASN  31  -5.120  -0.319   2.710
  128   2HB   ASN  31          1HB       ASN  31  -6.115   1.115   2.919
  129   1HD2  ASN  31          1HD2      ASN  31  -7.420   0.093   4.424
  130   2HD2  ASN  31          2HD2      ASN  31  -8.583  -1.103   3.973
  131    H    THR  32           H        THR  32  -7.570  -0.067  -0.854
  132    HA   THR  32           HA       THR  32  -8.768   2.600  -0.908
  133    HB   THR  32           HB       THR  32  -8.258   1.635  -3.080
  134    HG1  THR  32           1HG      THR  32 -10.803   1.415  -3.593
  135   1HG2  THR  32          1HG2      THR  32  -9.447  -0.355  -3.893
  136   2HG2  THR  32          2HG2      THR  32 -10.152  -0.581  -2.292
  137   3HG2  THR  32          3HG2      THR  32  -8.410  -0.732  -2.518
  138    H    GLU  33           H        GLU  33  -9.239  -0.371   0.583
  139    HA   GLU  33           HA       GLU  33 -12.094  -0.416   0.653
  140   1HB   GLU  33          2HB       GLU  33 -10.721  -2.435   1.016
  141   2HB   GLU  33          1HB       GLU  33 -10.094  -1.735   2.501
  142   1HG   GLU  33          2HG       GLU  33 -11.805  -3.335   3.020
  143   2HG   GLU  33          1HG       GLU  33 -12.371  -1.716   3.428
  144    H    THR  34           H        THR  34  -9.687   0.262   3.195
  145    HA   THR  34           HA       THR  34 -11.691   1.674   4.758
  146    HB   THR  34           HB       THR  34  -8.764   1.245   5.396
  147    HG1  THR  34           1HG      THR  34 -10.203  -0.307   6.904
  148   1HG2  THR  34          1HG2      THR  34  -9.497   1.637   7.722
  149   2HG2  THR  34          2HG2      THR  34 -11.118   2.005   7.130
  150   3HG2  THR  34          3HG2      THR  34  -9.761   3.043   6.690
  151    H    LYS  35           H        LYS  35  -9.257   2.313   2.483
  152    HA   LYS  35           HA       LYS  35  -8.604   4.216   1.432
  153   1HB   LYS  35          2HB       LYS  35 -10.446   5.716   3.300
  154   2HB   LYS  35          1HB       LYS  35  -9.754   6.312   1.797
  155   1HG   LYS  35          2HG       LYS  35 -11.024   4.610   0.559
  156   2HG   LYS  35          1HG       LYS  35 -11.753   4.079   2.075
  157   1HD   LYS  35          2HD       LYS  35 -12.643   6.379   2.386
  158   2HD   LYS  35          1HD       LYS  35 -12.019   6.793   0.788
  159   1HE   LYS  35          2HE       LYS  35 -14.076   4.678   1.415
  160   2HE   LYS  35          1HE       LYS  35 -14.384   6.244   0.667
  161   1HZ   LYS  35          1HZ       LYS  35 -14.284   4.482  -0.978
  162   2HZ   LYS  35          2HZ       LYS  35 -12.717   4.076  -0.491
  163   3HZ   LYS  35          3HZ       LYS  35 -13.017   5.578  -1.209
  164    H    GLN  36           H        GLN  36  -6.690   3.450   2.721
  165    HA   GLN  36           HA       GLN  36  -5.539   5.751   4.042
  166   1HB   GLN  36          2HB       GLN  36  -4.778   4.345   5.998
  167   2HB   GLN  36          1HB       GLN  36  -6.493   4.739   5.974
  168   1HG   GLN  36          2HG       GLN  36  -6.991   2.526   5.073
  169   2HG   GLN  36          1HG       GLN  36  -5.272   2.130   5.094
  170   1HE2  GLN  36          1HE2      GLN  36  -4.831   3.547   7.615
  171   2HE2  GLN  36          2HE2      GLN  36  -5.495   2.542   8.853
  172    H    SER  37           H        SER  37  -3.199   5.377   4.526
  173    HA   SER  37           HA       SER  37  -2.043   3.658   2.439
  174   1HB   SER  37          2HB       SER  37  -0.770   5.995   3.887
  175   2HB   SER  37          1HB       SER  37  -0.104   5.128   2.503
  176    HG   SER  37           HG       SER  37  -1.419   6.167   1.202
  177    H    THR  38           H        THR  38  -0.495   2.128   2.933
  178    HA   THR  38           HA       THR  38   0.446   1.959   5.689
  179    HB   THR  38           HB       THR  38  -1.756   0.552   5.141
  180    HG1  THR  38           1HG      THR  38  -1.158  -0.705   6.907
  181   1HG2  THR  38          1HG2      THR  38  -1.234  -1.756   4.609
  182   2HG2  THR  38          2HG2      THR  38   0.479  -1.369   4.462
  183   3HG2  THR  38          3HG2      THR  38  -0.674  -0.711   3.303
  184    H    TRP  39           H        TRP  39   2.069   0.221   5.989
  185    HA   TRP  39           HA       TRP  39   3.849   0.072   3.646
  186   1HB   TRP  39          2HB       TRP  39   4.393  -0.173   6.615
  187   2HB   TRP  39          1HB       TRP  39   5.605  -0.434   5.367
  188    HD1  TRP  39           HD       TRP  39   3.983   2.288   7.375
  189    HE1  TRP  39           1HE      TRP  39   4.972   4.568   6.681
  190    HE3  TRP  39           3HE      TRP  39   6.500   0.820   3.189
  191    HZ2  TRP  39           2HZ      TRP  39   6.612   5.594   4.612
  192    HZ3  TRP  39           3HZ      TRP  39   7.746   2.497   1.910
  193    HH2  TRP  39           HH       TRP  39   7.807   4.837   2.608
  194    H    GLU  40           H        GLU  40   5.226  -1.893   3.529
  195    HA   GLU  40           HA       GLU  40   5.525  -4.127   3.310
  196   1HB   GLU  40          2HB       GLU  40   5.354  -4.120   5.784
  197   2HB   GLU  40          1HB       GLU  40   3.621  -4.379   5.643
  198   1HG   GLU  40          2HG       GLU  40   4.012  -6.515   4.549
  199   2HG   GLU  40          1HG       GLU  40   5.753  -6.254   4.644
  200    H    LYS  41           H        LYS  41   4.699  -5.772   2.146
  201    HA   LYS  41           HA       LYS  41   2.501  -5.367   0.524
  202   1HB   LYS  41          2HB       LYS  41   3.821  -7.975   1.286
  203   2HB   LYS  41          1HB       LYS  41   2.700  -7.777  -0.052
  204   1HG   LYS  41          2HG       LYS  41   4.232  -6.247  -1.144
  205   2HG   LYS  41          1HG       LYS  41   5.344  -6.363   0.220
  206   1HD   LYS  41          2HD       LYS  41   6.193  -7.807  -1.453
  207   2HD   LYS  41          1HD       LYS  41   5.451  -8.845  -0.236
  208   1HE   LYS  41          2HE       LYS  41   3.980  -7.944  -2.700
  209   2HE   LYS  41          1HE       LYS  41   4.983  -9.391  -2.682
  210   1HZ   LYS  41          1HZ       LYS  41   3.591 -10.145  -0.757
  211   2HZ   LYS  41          2HZ       LYS  41   2.786 -10.076  -2.241
  212   3HZ   LYS  41          3HZ       LYS  41   2.540  -8.863  -1.091
  213    HA   PRO  42           HA       PRO  42  -0.797  -6.748   3.231
  214   1HB   PRO  42          2HB       PRO  42  -2.802  -5.666   1.874
  215   2HB   PRO  42          1HB       PRO  42  -1.591  -4.634   2.644
  216   1HG   PRO  42          2HG       PRO  42  -1.947  -5.312  -0.227
  217   2HG   PRO  42          1HG       PRO  42  -1.329  -3.825   0.509
  218   1HD   PRO  42          2HD       PRO  42   0.185  -5.996  -0.551
  219   2HD   PRO  42          1HD       PRO  42   0.799  -4.568   0.304
  220    HA   PRO   5           HA       PRO   5  -1.254   8.060  -7.416
  221   1HB   PRO   5          2HB       PRO   5   0.824   9.724  -6.271
  222   2HB   PRO   5          1HB       PRO   5   0.950   8.536  -7.566
  223   1HG   PRO   5          2HG       PRO   5   1.237  11.218  -7.960
  224   2HG   PRO   5          1HG       PRO   5   0.654  10.103  -9.208
  225   1HD   PRO   5          2HD       PRO   5  -0.905  11.944  -7.433
  226   2HD   PRO   5          1HD       PRO   5  -1.128  11.584  -9.160
  227    HA   PRO   6           HA       PRO   6  -2.674   8.454  -3.229
  228   1HB   PRO   6          2HB       PRO   6  -1.296   6.013  -2.517
  229   2HB   PRO   6          1HB       PRO   6  -3.020   6.274  -2.778
  230   1HG   PRO   6          2HG       PRO   6  -1.461   4.775  -4.423
  231   2HG   PRO   6          1HG       PRO   6  -2.923   5.620  -4.960
  232   1HD   PRO   6          2HD       PRO   6  -0.051   6.426  -5.271
  233   2HD   PRO   6          1HD       PRO   6  -1.391   6.555  -6.432
  234    HA   PRO   7           HA       PRO   7   0.729  10.074  -0.915
  235   1HB   PRO   7          2HB       PRO   7  -0.394  10.287   1.517
  236   2HB   PRO   7          1HB       PRO   7  -0.905  11.303   0.164
  237   1HG   PRO   7          2HG       PRO   7  -2.207   8.869   1.307
  238   2HG   PRO   7          1HG       PRO   7  -2.950  10.367   0.718
  239   1HD   PRO   7          2HD       PRO   7  -2.795   8.020  -0.727
  240   2HD   PRO   7          1HD       PRO   7  -2.978   9.636  -1.444
  241    H    LEU   8           H        LEU   8   2.373   9.451   0.480
  242    HA   LEU   8           HA       LEU   8   2.588   6.626   0.948
  243   1HB   LEU   8          2HB       LEU   8   4.480   7.993   0.191
  244   2HB   LEU   8          1HB       LEU   8   4.421   8.914   1.685
  245    HG   LEU   8           HG       LEU   8   4.848   6.636   2.834
  246   1HD1  LEU   8          1HD1      LEU   8   4.413   5.504   0.557
  247   2HD1  LEU   8          2HD1      LEU   8   5.724   4.908   1.566
  248   3HD1  LEU   8          3HD1      LEU   8   6.076   5.958   0.194
  249   1HD2  LEU   8          1HD2      LEU   8   6.458   8.480   2.756
  250   2HD2  LEU   8          2HD2      LEU   8   6.993   7.945   1.162
  251   3HD2  LEU   8          3HD2      LEU   8   7.257   6.918   2.572
  252    HA   PRO   9           HA       PRO   9   1.233   6.658   5.195
  253   1HB   PRO   9          2HB       PRO   9   2.665   4.208   5.727
  254   2HB   PRO   9          1HB       PRO   9   0.935   4.434   5.468
  255   1HG   PRO   9          2HG       PRO   9   2.581   3.112   3.726
  256   2HG   PRO   9          1HG       PRO   9   1.073   3.912   3.251
  257   1HD   PRO   9          2HD       PRO   9   3.894   4.866   2.983
  258   2HD   PRO   9          1HD       PRO   9   2.535   5.025   1.851
  259    HA   PRO  10           HA       PRO  10   4.776   8.011   7.528
  260   1HB   PRO  10          2HB       PRO  10   3.610   8.493   9.886
  261   2HB   PRO  10          1HB       PRO  10   3.229   9.468   8.461
  262   1HG   PRO  10          2HG       PRO  10   1.665   7.264   9.727
  263   2HG   PRO  10          1HG       PRO  10   1.089   8.770   8.991
  264   1HD   PRO  10          2HD       PRO  10   1.117   6.272   7.756
  265   2HD   PRO  10          1HD       PRO  10   0.985   7.830   6.922
  Start of MODEL   11
    1    H    SER  15           H        SER  15  -9.277  -6.604   0.536
    2    HA   SER  15           HA       SER  15  -8.036  -6.948  -1.977
    3   1HB   SER  15          2HB       SER  15 -10.037  -6.661  -3.425
    4   2HB   SER  15          1HB       SER  15 -10.042  -8.199  -2.564
    5    HG   SER  15           HG       SER  15 -11.664  -7.524  -1.322
    6    H    MET  16           H        MET  16  -8.997  -5.006  -3.496
    7    HA   MET  16           HA       MET  16  -9.186  -2.763  -3.804
    8   1HB   MET  16          2HB       MET  16  -9.980  -2.653  -0.889
    9   2HB   MET  16          1HB       MET  16 -10.212  -1.380  -2.074
   10   1HG   MET  16          2HG       MET  16 -11.479  -4.102  -2.219
   11   2HG   MET  16          1HG       MET  16 -12.261  -2.658  -1.579
   12   1HE   MET  16          1HE       MET  16 -14.109  -3.197  -4.992
   13   2HE   MET  16          2HE       MET  16 -14.289  -3.035  -3.244
   14   3HE   MET  16          3HE       MET  16 -13.510  -4.464  -3.922
   15    H    TRP  17           H        TRP  17  -6.706  -3.481  -3.703
   16    HA   TRP  17           HA       TRP  17  -5.386  -1.488  -1.983
   17   1HB   TRP  17          2HB       TRP  17  -4.357  -4.261  -2.615
   18   2HB   TRP  17          1HB       TRP  17  -3.453  -3.018  -1.762
   19    HD1  TRP  17           HD       TRP  17  -6.503  -5.320  -1.303
   20    HE1  TRP  17           1HE      TRP  17  -6.922  -5.606   1.222
   21    HE3  TRP  17           3HE      TRP  17  -3.048  -1.998   0.477
   22    HZ2  TRP  17           2HZ      TRP  17  -5.917  -4.568   3.644
   23    HZ3  TRP  17           3HZ      TRP  17  -2.838  -1.708   2.910
   24    HH2  TRP  17           HH       TRP  17  -4.242  -2.967   4.460
   25    H    THR  18           H        THR  18  -3.264  -0.801  -2.791
   26    HA   THR  18           HA       THR  18  -2.898  -1.167  -5.685
   27    HB   THR  18           HB       THR  18  -2.457   1.186  -6.028
   28    HG1  THR  18           1HG      THR  18  -2.016   1.257  -3.472
   29   1HG2  THR  18          1HG2      THR  18  -4.693   2.123  -5.627
   30   2HG2  THR  18          2HG2      THR  18  -5.052   0.785  -4.535
   31   3HG2  THR  18          3HG2      THR  18  -4.782   0.475  -6.249
   32    H    GLU  19           H        GLU  19  -0.762  -1.112  -6.388
   33    HA   GLU  19           HA       GLU  19   1.220  -1.251  -4.226
   34   1HB   GLU  19          2HB       GLU  19   1.007  -3.283  -5.549
   35   2HB   GLU  19          1HB       GLU  19   1.297  -2.380  -7.028
   36   1HG   GLU  19          2HG       GLU  19   3.358  -2.301  -4.885
   37   2HG   GLU  19          1HG       GLU  19   3.204  -3.759  -5.865
   38    H    HIS  20           H        HIS  20   2.609   0.324  -3.988
   39    HA   HIS  20           HA       HIS  20   3.626   1.759  -6.320
   40   1HB   HIS  20          2HB       HIS  20   2.297   3.044  -3.936
   41   2HB   HIS  20          1HB       HIS  20   3.415   3.922  -4.973
   42    HD1  HIS  20           1HD      HIS  20   2.641   4.326  -7.457
   43    HD2  HIS  20           2HD      HIS  20  -0.258   2.735  -4.939
   44    HE1  HIS  20           1HE      HIS  20   0.457   4.636  -8.666
   45    HE2  HIS  20           2HE      HIS  20  -1.267   3.572  -7.168
   46    H    LYS  21           H        LYS  21   5.572   3.111  -5.701
   47    HA   LYS  21           HA       LYS  21   7.037   1.733  -3.547
   48   1HB   LYS  21          2HB       LYS  21   7.954   2.703  -6.240
   49   2HB   LYS  21          1HB       LYS  21   9.095   2.398  -4.938
   50   1HG   LYS  21          2HG       LYS  21   8.303   0.071  -4.820
   51   2HG   LYS  21          1HG       LYS  21   7.217   0.393  -6.174
   52   1HD   LYS  21          2HD       LYS  21   9.090   0.878  -7.619
   53   2HD   LYS  21          1HD       LYS  21  10.216   0.718  -6.269
   54   1HE   LYS  21          2HE       LYS  21   8.481  -1.480  -7.391
   55   2HE   LYS  21          1HE       LYS  21  10.206  -1.277  -7.688
   56   1HZ   LYS  21          1HZ       LYS  21  10.600  -1.569  -5.315
   57   2HZ   LYS  21          2HZ       LYS  21   9.814  -2.914  -5.971
   58   3HZ   LYS  21          3HZ       LYS  21   8.944  -1.793  -5.050
   59    H    SER  22           H        SER  22   7.437   2.977  -1.850
   60    HA   SER  22           HA       SER  22   7.164   5.707  -1.650
   61   1HB   SER  22          2HB       SER  22   7.371   4.159   0.281
   62   2HB   SER  22          1HB       SER  22   9.083   3.978  -0.076
   63    HG   SER  22           HG       SER  22   7.969   5.813   1.415
   64    HA   PRO  23           HA       PRO  23  10.460   7.583  -3.882
   65   1HB   PRO  23          2HB       PRO  23  10.710   9.430  -1.567
   66   2HB   PRO  23          1HB       PRO  23  10.444   9.791  -3.277
   67   1HG   PRO  23          2HG       PRO  23   8.449  10.004  -1.537
   68   2HG   PRO  23          1HG       PRO  23   8.167   9.333  -3.154
   69   1HD   PRO  23          2HD       PRO  23   8.453   7.911  -0.534
   70   2HD   PRO  23          1HD       PRO  23   7.332   7.585  -1.870
   71    H    ASP  24           H        ASP  24  11.058   7.140  -0.399
   72    HA   ASP  24           HA       ASP  24  13.846   7.403  -0.487
   73   1HB   ASP  24          2HB       ASP  24  12.520   7.402   1.603
   74   2HB   ASP  24          1HB       ASP  24  12.209   5.682   1.389
   75    H    GLY  25           H        GLY  25  11.841   4.975  -1.731
   76   1HA   GLY  25          2HA       GLY  25  12.814   3.382  -3.269
   77   2HA   GLY  25          1HA       GLY  25  14.189   3.251  -2.182
   78    H    ARG  26           H        ARG  26  10.740   3.189  -1.381
   79    HA   ARG  26           HA       ARG  26  11.098   0.409  -0.462
   80   1HB   ARG  26          2HB       ARG  26   9.718   2.709   0.876
   81   2HB   ARG  26          1HB       ARG  26   9.277   1.048   1.247
   82   1HG   ARG  26          2HG       ARG  26  10.824   1.397   2.854
   83   2HG   ARG  26          1HG       ARG  26  11.877   0.800   1.574
   84   1HD   ARG  26          2HD       ARG  26  12.896   2.740   2.534
   85   2HD   ARG  26          1HD       ARG  26  12.315   3.159   0.923
   86    HE   ARG  26           HE       ARG  26  10.495   4.345   1.959
   87   1HH1  ARG  26          1HH1      ARG  26  13.037   3.316   4.107
   88   2HH1  ARG  26          2HH1      ARG  26  12.666   4.495   5.319
   89   1HH2  ARG  26          1HH2      ARG  26   9.996   5.898   3.550
   90   2HH2  ARG  26          2HH2      ARG  26  10.934   5.961   5.005
   91    H    THR  27           H        THR  27   8.998  -0.773  -0.216
   92    HA   THR  27           HA       THR  27   7.184  -0.045  -2.424
   93    HB   THR  27           HB       THR  27   7.735  -2.790  -1.270
   94    HG1  THR  27           1HG      THR  27   9.373  -1.685  -2.687
   95   1HG2  THR  27          1HG2      THR  27   6.011  -1.905  -3.587
   96   2HG2  THR  27          2HG2      THR  27   5.464  -2.652  -2.087
   97   3HG2  THR  27          3HG2      THR  27   6.429  -3.581  -3.232
   98    H    TYR  28           H        TYR  28   5.501   1.000  -1.520
   99    HA   TYR  28           HA       TYR  28   4.301  -0.159   0.904
  100   1HB   TYR  28          2HB       TYR  28   3.572   1.966   1.559
  101   2HB   TYR  28          1HB       TYR  28   5.176   2.268   0.899
  102    HD1  TYR  28           1HD      TYR  28   1.640   2.953   0.606
  103    HD2  TYR  28           2HD      TYR  28   5.383   3.274  -1.392
  104    HE1  TYR  28           1HE      TYR  28   0.681   4.639  -0.905
  105    HE2  TYR  28           2HE      TYR  28   4.433   4.961  -2.909
  106    HH   TYR  28           HH       TYR  28   1.475   6.499  -2.333
  107    H    TYR  29           H        TYR  29   1.890   0.159   1.070
  108    HA   TYR  29           HA       TYR  29   0.611  -0.064  -1.571
  109   1HB   TYR  29          2HB       TYR  29   0.186  -1.904   0.789
  110   2HB   TYR  29          1HB       TYR  29  -0.828  -1.888  -0.650
  111    HD1  TYR  29           1HD      TYR  29  -0.195  -3.072  -2.587
  112    HD2  TYR  29           2HD      TYR  29   2.632  -2.498   0.540
  113    HE1  TYR  29           1HE      TYR  29   1.337  -4.648  -3.690
  114    HE2  TYR  29           2HE      TYR  29   4.171  -4.072  -0.554
  115    HH   TYR  29           HH       TYR  29   3.750  -5.140  -3.742
  116    H    TYR  30           H        TYR  30  -1.348   0.878  -1.781
  117    HA   TYR  30           HA       TYR  30  -2.368   2.312   0.579
  118   1HB   TYR  30          2HB       TYR  30  -1.696   3.838  -1.166
  119   2HB   TYR  30          1HB       TYR  30  -2.610   2.942  -2.369
  120    HD1  TYR  30           1HD      TYR  30  -2.765   5.452   0.263
  121    HD2  TYR  30           2HD      TYR  30  -5.074   3.070  -2.403
  122    HE1  TYR  30           1HE      TYR  30  -4.706   6.903   0.657
  123    HE2  TYR  30           2HE      TYR  30  -7.025   4.518  -2.012
  124    HH   TYR  30           HH       TYR  30  -7.863   6.077  -0.364
  125    H    ASN  31           H        ASN  31  -4.287   1.779   1.371
  126    HA   ASN  31           HA       ASN  31  -5.895  -0.204  -0.039
  127   1HB   ASN  31          2HB       ASN  31  -5.302  -0.595   2.329
  128   2HB   ASN  31          1HB       ASN  31  -6.160   0.875   2.777
  129   1HD2  ASN  31          1HD2      ASN  31  -7.578  -0.230   4.107
  130   2HD2  ASN  31          2HD2      ASN  31  -8.839  -1.235   3.484
  131    H    THR  32           H        THR  32  -7.457   0.496  -1.333
  132    HA   THR  32           HA       THR  32  -8.591   3.137  -1.004
  133    HB   THR  32           HB       THR  32  -8.129   2.394  -3.265
  134    HG1  THR  32           1HG      THR  32 -10.864   2.256  -3.441
  135   1HG2  THR  32          1HG2      THR  32 -10.146   0.202  -2.762
  136   2HG2  THR  32          2HG2      THR  32  -8.404  -0.026  -2.918
  137   3HG2  THR  32          3HG2      THR  32  -9.345   0.543  -4.296
  138    H    GLU  33           H        GLU  33  -9.185   0.180   0.338
  139    HA   GLU  33           HA       GLU  33 -12.065   0.249   0.365
  140   1HB   GLU  33          2HB       GLU  33 -10.833  -1.878   0.516
  141   2HB   GLU  33          1HB       GLU  33 -10.120  -1.360   2.036
  142   1HG   GLU  33          2HG       GLU  33 -11.896  -2.864   2.520
  143   2HG   GLU  33          1HG       GLU  33 -12.403  -1.246   3.002
  144    H    THR  34           H        THR  34  -9.572   0.575   2.883
  145    HA   THR  34           HA       THR  34 -11.455   1.894   4.657
  146    HB   THR  34           HB       THR  34  -8.511   1.317   5.071
  147    HG1  THR  34           1HG      THR  34  -9.456  -0.416   6.415
  148   1HG2  THR  34          1HG2      THR  34 -10.690   2.041   7.036
  149   2HG2  THR  34          2HG2      THR  34  -9.344   3.072   6.546
  150   3HG2  THR  34          3HG2      THR  34  -9.035   1.594   7.459
  151    H    LYS  35           H        LYS  35  -9.202   2.697   2.273
  152    HA   LYS  35           HA       LYS  35  -8.490   4.667   1.397
  153   1HB   LYS  35          2HB       LYS  35 -10.288   5.999   3.435
  154   2HB   LYS  35          1HB       LYS  35  -9.614   6.741   1.992
  155   1HG   LYS  35          2HG       LYS  35 -11.475   4.386   1.907
  156   2HG   LYS  35          1HG       LYS  35 -12.032   6.058   1.868
  157   1HD   LYS  35          2HD       LYS  35  -9.945   5.157  -0.070
  158   2HD   LYS  35          1HD       LYS  35 -11.635   4.742  -0.360
  159   1HE   LYS  35          2HE       LYS  35 -11.028   6.805  -1.509
  160   2HE   LYS  35          1HE       LYS  35 -12.241   7.104  -0.265
  161   1HZ   LYS  35          1HZ       LYS  35 -10.501   7.912   1.195
  162   2HZ   LYS  35          2HZ       LYS  35 -10.503   8.786  -0.252
  163   3HZ   LYS  35          3HZ       LYS  35  -9.325   7.602   0.018
  164    H    GLN  36           H        GLN  36  -6.667   3.628   2.749
  165    HA   GLN  36           HA       GLN  36  -5.386   5.815   4.171
  166   1HB   GLN  36          2HB       GLN  36  -4.743   4.339   6.062
  167   2HB   GLN  36          1HB       GLN  36  -6.474   4.641   5.985
  168   1HG   GLN  36          2HG       GLN  36  -6.831   2.471   4.964
  169   2HG   GLN  36          1HG       GLN  36  -5.094   2.167   4.967
  170   1HE2  GLN  36          1HE2      GLN  36  -7.245   0.660   6.221
  171   2HE2  GLN  36          2HE2      GLN  36  -6.885   0.613   7.910
  172    H    SER  37           H        SER  37  -3.078   5.306   4.630
  173    HA   SER  37           HA       SER  37  -1.987   3.570   2.518
  174   1HB   SER  37          2HB       SER  37  -0.540   5.835   3.901
  175   2HB   SER  37          1HB       SER  37  -0.093   5.020   2.403
  176    HG   SER  37           HG       SER  37  -1.141   7.117   2.165
  177    H    THR  38           H        THR  38  -0.482   2.015   3.039
  178    HA   THR  38           HA       THR  38   0.437   1.884   5.815
  179    HB   THR  38           HB       THR  38  -1.660   0.509   5.561
  180    HG1  THR  38           1HG      THR  38  -0.167  -1.504   6.272
  181   1HG2  THR  38          1HG2      THR  38   0.149  -1.208   3.849
  182   2HG2  THR  38          2HG2      THR  38  -1.269  -0.318   3.292
  183   3HG2  THR  38          3HG2      THR  38  -1.457  -1.657   4.425
  184    H    TRP  39           H        TRP  39   2.133   0.267   6.158
  185    HA   TRP  39           HA       TRP  39   3.930   0.120   3.829
  186   1HB   TRP  39          2HB       TRP  39   4.442  -0.014   6.808
  187   2HB   TRP  39          1HB       TRP  39   5.677  -0.331   5.594
  188    HD1  TRP  39           HD       TRP  39   4.008   2.480   7.437
  189    HE1  TRP  39           1HE      TRP  39   5.007   4.726   6.652
  190    HE3  TRP  39           3HE      TRP  39   6.607   0.820   3.371
  191    HZ2  TRP  39           2HZ      TRP  39   6.679   5.657   4.569
  192    HZ3  TRP  39           3HZ      TRP  39   7.875   2.442   2.034
  193    HH2  TRP  39           HH       TRP  39   7.917   4.809   2.625
  194    H    GLU  40           H        GLU  40   5.194  -1.828   3.534
  195    HA   GLU  40           HA       GLU  40   5.478  -4.069   3.295
  196   1HB   GLU  40          2HB       GLU  40   5.734  -4.034   5.751
  197   2HB   GLU  40          1HB       GLU  40   3.999  -4.252   5.927
  198   1HG   GLU  40          2HG       GLU  40   4.145  -6.423   4.842
  199   2HG   GLU  40          1HG       GLU  40   5.879  -6.203   4.613
  200    H    LYS  41           H        LYS  41   4.469  -5.638   2.158
  201    HA   LYS  41           HA       LYS  41   1.831  -5.185   1.256
  202   1HB   LYS  41          2HB       LYS  41   3.615  -6.308  -0.076
  203   2HB   LYS  41          1HB       LYS  41   3.467  -7.709   0.976
  204   1HG   LYS  41          2HG       LYS  41   1.177  -8.045   0.264
  205   2HG   LYS  41          1HG       LYS  41   1.252  -6.588  -0.730
  206   1HD   LYS  41          2HD       LYS  41   1.554  -8.481  -2.162
  207   2HD   LYS  41          1HD       LYS  41   3.105  -7.654  -2.020
  208   1HE   LYS  41          2HE       LYS  41   3.820  -9.287  -0.344
  209   2HE   LYS  41          1HE       LYS  41   2.268 -10.112  -0.483
  210   1HZ   LYS  41          1HZ       LYS  41   2.776 -10.566  -2.812
  211   2HZ   LYS  41          2HZ       LYS  41   3.948 -11.228  -1.788
  212   3HZ   LYS  41          3HZ       LYS  41   4.281  -9.808  -2.646
  213    HA   PRO  42           HA       PRO  42  -0.310  -7.358   4.525
  214   1HB   PRO  42          2HB       PRO  42  -2.810  -7.147   3.560
  215   2HB   PRO  42          1HB       PRO  42  -1.945  -5.747   4.207
  216   1HG   PRO  42          2HG       PRO  42  -2.350  -6.574   1.358
  217   2HG   PRO  42          1HG       PRO  42  -2.477  -4.960   2.082
  218   1HD   PRO  42          2HD       PRO  42  -0.275  -5.831   0.722
  219   2HD   PRO  42          1HD       PRO  42  -0.209  -4.617   2.014
  220    HA   PRO   5           HA       PRO   5  -1.445   7.973  -7.417
  221   1HB   PRO   5          2HB       PRO   5   0.584   9.603  -6.173
  222   2HB   PRO   5          1HB       PRO   5   0.733   8.545  -7.577
  223   1HG   PRO   5          2HG       PRO   5   0.919  11.277  -7.694
  224   2HG   PRO   5          1HG       PRO   5   0.428  10.255  -9.055
  225   1HD   PRO   5          2HD       PRO   5  -1.266  11.857  -7.179
  226   2HD   PRO   5          1HD       PRO   5  -1.435  11.622  -8.933
  227    HA   PRO   6           HA       PRO   6  -2.880   8.142  -3.204
  228   1HB   PRO   6          2HB       PRO   6  -1.363   5.726  -2.627
  229   2HB   PRO   6          1HB       PRO   6  -3.109   5.931  -2.781
  230   1HG   PRO   6          2HG       PRO   6  -1.645   4.542  -4.577
  231   2HG   PRO   6          1HG       PRO   6  -3.106   5.442  -5.022
  232   1HD   PRO   6          2HD       PRO   6  -0.227   6.248  -5.330
  233   2HD   PRO   6          1HD       PRO   6  -1.570   6.409  -6.486
  234    HA   PRO   7           HA       PRO   7   0.490   9.854  -0.900
  235   1HB   PRO   7          2HB       PRO   7  -0.952   9.543   1.582
  236   2HB   PRO   7          1HB       PRO   7  -0.718  11.006   0.625
  237   1HG   PRO   7          2HG       PRO   7  -3.137   9.764   0.952
  238   2HG   PRO   7          1HG       PRO   7  -2.724  10.780  -0.440
  239   1HD   PRO   7          2HD       PRO   7  -2.751   7.791  -0.210
  240   2HD   PRO   7          1HD       PRO   7  -3.269   8.830  -1.560
  241    H    LEU   8           H        LEU   8   2.183   9.286   0.439
  242    HA   LEU   8           HA       LEU   8   2.522   6.471   0.929
  243   1HB   LEU   8          2HB       LEU   8   4.363   7.870   0.126
  244   2HB   LEU   8          1HB       LEU   8   4.267   8.859   1.574
  245    HG   LEU   8           HG       LEU   8   4.812   6.666   2.837
  246   1HD1  LEU   8          1HD1      LEU   8   5.857   4.948   1.623
  247   2HD1  LEU   8          2HD1      LEU   8   5.948   5.924   0.160
  248   3HD1  LEU   8          3HD1      LEU   8   4.390   5.325   0.726
  249   1HD2  LEU   8          1HD2      LEU   8   7.188   7.054   2.565
  250   2HD2  LEU   8          2HD2      LEU   8   6.331   8.595   2.594
  251   3HD2  LEU   8          3HD2      LEU   8   6.902   7.932   1.063
  252    HA   PRO   9           HA       PRO   9   1.221   6.568   5.192
  253   1HB   PRO   9          2HB       PRO   9   2.761   4.201   5.791
  254   2HB   PRO   9          1HB       PRO   9   1.020   4.344   5.551
  255   1HG   PRO   9          2HG       PRO   9   2.699   3.030   3.831
  256   2HG   PRO   9          1HG       PRO   9   1.149   3.743   3.354
  257   1HD   PRO   9          2HD       PRO   9   3.918   4.807   2.993
  258   2HD   PRO   9          1HD       PRO   9   2.529   4.874   1.890
  259    HA   PRO  10           HA       PRO  10   4.725   8.199   7.390
  260   1HB   PRO  10          2HB       PRO  10   3.612   8.648   9.782
  261   2HB   PRO  10          1HB       PRO  10   3.118   9.567   8.355
  262   1HG   PRO  10          2HG       PRO  10   1.759   7.265   9.693
  263   2HG   PRO  10          1HG       PRO  10   1.051   8.732   8.996
  264   1HD   PRO  10          2HD       PRO  10   1.160   6.268   7.734
  265   2HD   PRO  10          1HD       PRO  10   0.962   7.825   6.907
  Start of MODEL   12
    1    H    SER  15           H        SER  15  -7.943  -8.074   0.851
    2    HA   SER  15           HA       SER  15  -7.285  -7.422  -1.225
    3   1HB   SER  15          2HB       SER  15  -9.138  -8.999  -1.842
    4   2HB   SER  15          1HB       SER  15 -10.219  -7.608  -1.940
    5    HG   SER  15           HG       SER  15  -7.890  -7.313  -3.362
    6    H    MET  16           H        MET  16  -8.203  -5.835  -3.163
    7    HA   MET  16           HA       MET  16  -8.594  -3.703  -3.824
    8   1HB   MET  16          2HB       MET  16 -10.136  -3.843  -1.304
    9   2HB   MET  16          1HB       MET  16  -9.730  -2.231  -1.869
   10   1HG   MET  16          2HG       MET  16 -11.920  -2.951  -2.657
   11   2HG   MET  16          1HG       MET  16 -10.804  -2.671  -3.992
   12   1HE   MET  16          1HE       MET  16 -12.328  -3.992  -5.693
   13   2HE   MET  16          2HE       MET  16 -13.508  -4.214  -4.401
   14   3HE   MET  16          3HE       MET  16 -12.992  -5.594  -5.370
   15    H    TRP  17           H        TRP  17  -6.134  -4.012  -3.425
   16    HA   TRP  17           HA       TRP  17  -5.230  -1.702  -1.836
   17   1HB   TRP  17          2HB       TRP  17  -3.696  -4.295  -2.138
   18   2HB   TRP  17          1HB       TRP  17  -3.210  -2.890  -1.199
   19    HD1  TRP  17           HD       TRP  17  -5.875  -5.679  -1.174
   20    HE1  TRP  17           1HE      TRP  17  -6.600  -6.074   1.261
   21    HE3  TRP  17           3HE      TRP  17  -3.253  -1.909   1.077
   22    HZ2  TRP  17           2HZ      TRP  17  -6.122  -4.942   3.801
   23    HZ3  TRP  17           3HZ      TRP  17  -3.441  -1.640   3.515
   24    HH2  TRP  17           HH       TRP  17  -4.846  -3.124   4.846
   25    H    THR  18           H        THR  18  -3.586  -0.475  -2.759
   26    HA   THR  18           HA       THR  18  -2.976  -1.123  -5.566
   27    HB   THR  18           HB       THR  18  -2.454   1.263  -5.864
   28    HG1  THR  18           1HG      THR  18  -2.043   1.430  -3.424
   29   1HG2  THR  18          1HG2      THR  18  -4.748   0.435  -6.259
   30   2HG2  THR  18          2HG2      THR  18  -4.719   2.120  -5.739
   31   3HG2  THR  18          3HG2      THR  18  -5.164   0.851  -4.596
   32    H    GLU  19           H        GLU  19  -0.854  -1.042  -6.315
   33    HA   GLU  19           HA       GLU  19   1.168  -1.205  -4.193
   34   1HB   GLU  19          2HB       GLU  19   0.970  -3.221  -5.519
   35   2HB   GLU  19          1HB       GLU  19   1.164  -2.306  -7.007
   36   1HG   GLU  19          2HG       GLU  19   3.446  -1.708  -6.320
   37   2HG   GLU  19          1HG       GLU  19   3.246  -2.686  -4.865
   38    H    HIS  20           H        HIS  20   2.675   0.280  -4.005
   39    HA   HIS  20           HA       HIS  20   3.558   1.808  -6.328
   40   1HB   HIS  20          2HB       HIS  20   2.280   2.982  -3.875
   41   2HB   HIS  20          1HB       HIS  20   3.474   3.900  -4.784
   42    HD1  HIS  20           1HD      HIS  20   2.835   4.257  -7.406
   43    HD2  HIS  20           2HD      HIS  20  -0.252   3.164  -4.848
   44    HE1  HIS  20           1HE      HIS  20   0.714   4.845  -8.623
   45    HE2  HIS  20           2HE      HIS  20  -1.141   4.204  -7.043
   46    H    LYS  21           H        LYS  21   5.578   3.021  -5.869
   47    HA   LYS  21           HA       LYS  21   7.147   1.598  -3.824
   48   1HB   LYS  21          2HB       LYS  21   7.755   1.190  -6.217
   49   2HB   LYS  21          1HB       LYS  21   8.184   2.890  -6.347
   50   1HG   LYS  21          2HG       LYS  21   9.923   2.615  -4.689
   51   2HG   LYS  21          1HG       LYS  21   9.455   0.931  -4.445
   52   1HD   LYS  21          2HD       LYS  21   9.975   0.509  -6.845
   53   2HD   LYS  21          1HD       LYS  21  10.589   2.161  -6.956
   54   1HE   LYS  21          2HE       LYS  21  11.632   0.012  -5.113
   55   2HE   LYS  21          1HE       LYS  21  12.392   0.533  -6.616
   56   1HZ   LYS  21          1HZ       LYS  21  11.940   2.235  -4.224
   57   2HZ   LYS  21          2HZ       LYS  21  12.666   2.739  -5.666
   58   3HZ   LYS  21          3HZ       LYS  21  13.424   1.574  -4.702
   59    H    SER  22           H        SER  22   7.261   2.885  -2.079
   60    HA   SER  22           HA       SER  22   7.141   5.596  -1.866
   61   1HB   SER  22          2HB       SER  22   7.188   4.097   0.075
   62   2HB   SER  22          1HB       SER  22   8.882   3.740  -0.232
   63    HG   SER  22           HG       SER  22   9.192   6.094  -0.001
   64    HA   PRO  23           HA       PRO  23  10.636   7.304  -3.952
   65   1HB   PRO  23          2HB       PRO  23  10.593   9.398  -1.855
   66   2HB   PRO  23          1HB       PRO  23  10.436   9.557  -3.608
   67   1HG   PRO  23          2HG       PRO  23   8.314   9.866  -2.035
   68   2HG   PRO  23          1HG       PRO  23   8.174   9.012  -3.585
   69   1HD   PRO  23          2HD       PRO  23   8.383   7.881  -0.813
   70   2HD   PRO  23          1HD       PRO  23   7.305   7.396  -2.138
   71    H    ASP  24           H        ASP  24  10.718   6.517  -0.588
   72    HA   ASP  24           HA       ASP  24  13.539   7.060  -0.276
   73   1HB   ASP  24          2HB       ASP  24  11.643   5.539   1.529
   74   2HB   ASP  24          1HB       ASP  24  13.267   6.071   1.953
   75    H    GLY  25           H        GLY  25  12.275   5.037  -2.241
   76   1HA   GLY  25          2HA       GLY  25  13.137   3.155  -3.268
   77   2HA   GLY  25          1HA       GLY  25  14.395   3.112  -2.039
   78    H    ARG  26           H        ARG  26  10.944   3.143  -1.373
   79    HA   ARG  26           HA       ARG  26  11.180   0.362  -0.407
   80   1HB   ARG  26          2HB       ARG  26   9.146   1.979   0.936
   81   2HB   ARG  26          1HB       ARG  26  10.345   0.891   1.618
   82   1HG   ARG  26          2HG       ARG  26  11.237   3.541   0.605
   83   2HG   ARG  26          1HG       ARG  26  10.370   3.462   2.135
   84   1HD   ARG  26          2HD       ARG  26  12.850   3.367   2.360
   85   2HD   ARG  26          1HD       ARG  26  12.003   1.996   3.074
   86    HE   ARG  26           HE       ARG  26  12.616   1.045   0.656
   87   1HH1  ARG  26          1HH1      ARG  26  14.540   2.762   2.998
   88   2HH1  ARG  26          2HH1      ARG  26  16.023   1.998   2.530
   89   1HH2  ARG  26          1HH2      ARG  26  14.563   0.032   0.035
   90   2HH2  ARG  26          2HH2      ARG  26  16.036   0.447   0.847
   91    H    THR  27           H        THR  27   9.031  -0.729  -0.178
   92    HA   THR  27           HA       THR  27   7.268   0.055  -2.406
   93    HB   THR  27           HB       THR  27   7.640  -2.702  -1.210
   94    HG1  THR  27           1HG      THR  27   8.756  -3.120  -3.170
   95   1HG2  THR  27          1HG2      THR  27   5.409  -2.353  -2.157
   96   2HG2  THR  27          2HG2      THR  27   6.350  -3.467  -3.149
   97   3HG2  THR  27          3HG2      THR  27   6.130  -1.794  -3.666
   98    H    TYR  28           H        TYR  28   5.565   1.133  -1.584
   99    HA   TYR  28           HA       TYR  28   4.339   0.084   0.880
  100   1HB   TYR  28          2HB       TYR  28   3.705   2.237   1.500
  101   2HB   TYR  28          1HB       TYR  28   5.292   2.491   0.783
  102    HD1  TYR  28           1HD      TYR  28   1.706   3.085   0.448
  103    HD2  TYR  28           2HD      TYR  28   5.509   3.612  -1.388
  104    HE1  TYR  28           1HE      TYR  28   0.737   4.765  -1.062
  105    HE2  TYR  28           2HE      TYR  28   4.547   5.295  -2.904
  106    HH   TYR  28           HH       TYR  28   1.503   6.688  -2.417
  107    H    TYR  29           H        TYR  29   1.960   0.379   1.045
  108    HA   TYR  29           HA       TYR  29   0.650   0.156  -1.582
  109   1HB   TYR  29          2HB       TYR  29   0.181  -1.596   0.838
  110   2HB   TYR  29          1HB       TYR  29  -0.824  -1.604  -0.608
  111    HD1  TYR  29           1HD      TYR  29  -0.173  -2.815  -2.541
  112    HD2  TYR  29           2HD      TYR  29   2.575  -2.317   0.670
  113    HE1  TYR  29           1HE      TYR  29   1.327  -4.465  -3.577
  114    HE2  TYR  29           2HE      TYR  29   4.082  -3.965  -0.359
  115    HH   TYR  29           HH       TYR  29   3.981  -5.824  -1.932
  116    H    TYR  30           H        TYR  30  -1.556   0.772  -1.657
  117    HA   TYR  30           HA       TYR  30  -2.455   2.386   0.643
  118   1HB   TYR  30          2HB       TYR  30  -1.737   3.951  -1.014
  119   2HB   TYR  30          1HB       TYR  30  -2.543   3.065  -2.298
  120    HD1  TYR  30           1HD      TYR  30  -5.037   3.120  -2.452
  121    HD2  TYR  30           2HD      TYR  30  -2.894   5.583   0.278
  122    HE1  TYR  30           1HE      TYR  30  -7.018   4.556  -2.200
  123    HE2  TYR  30           2HE      TYR  30  -4.870   7.019   0.540
  124    HH   TYR  30           HH       TYR  30  -6.909   7.600  -0.752
  125    H    ASN  31           H        ASN  31  -4.223   1.510   1.488
  126    HA   ASN  31           HA       ASN  31  -5.867  -0.340   0.059
  127   1HB   ASN  31          2HB       ASN  31  -5.446  -0.373   2.552
  128   2HB   ASN  31          1HB       ASN  31  -6.507   1.026   2.681
  129   1HD2  ASN  31          1HD2      ASN  31  -6.773  -1.659   3.796
  130   2HD2  ASN  31          2HD2      ASN  31  -8.284  -2.266   3.222
  131    H    THR  32           H        THR  32  -7.603   0.061  -1.172
  132    HA   THR  32           HA       THR  32  -8.458   2.815  -1.494
  133    HB   THR  32           HB       THR  32  -8.154   1.633  -3.538
  134    HG1  THR  32           1HG      THR  32  -9.868   2.772  -4.065
  135   1HG2  THR  32          1HG2      THR  32  -9.541  -0.379  -4.080
  136   2HG2  THR  32          2HG2      THR  32 -10.023  -0.433  -2.383
  137   3HG2  THR  32          3HG2      THR  32  -8.330  -0.648  -2.827
  138    H    GLU  33           H        GLU  33  -9.752  -0.193  -0.205
  139    HA   GLU  33           HA       GLU  33 -12.441   0.694   0.019
  140   1HB   GLU  33          2HB       GLU  33 -10.878  -1.511   1.340
  141   2HB   GLU  33          1HB       GLU  33 -12.542  -1.172   1.796
  142   1HG   GLU  33          2HG       GLU  33 -11.621  -1.837  -0.986
  143   2HG   GLU  33          1HG       GLU  33 -12.337  -2.984   0.145
  144    H    THR  34           H        THR  34  -9.988   0.221   2.565
  145    HA   THR  34           HA       THR  34 -11.445   1.758   4.477
  146    HB   THR  34           HB       THR  34  -8.524   0.966   4.536
  147    HG1  THR  34           1HG      THR  34 -10.385  -0.427   6.049
  148   1HG2  THR  34          1HG2      THR  34 -10.416   1.745   6.759
  149   2HG2  THR  34          2HG2      THR  34  -9.079   2.719   6.149
  150   3HG2  THR  34          3HG2      THR  34  -8.754   1.192   6.970
  151    H    LYS  35           H        LYS  35  -9.271   2.493   1.944
  152    HA   LYS  35           HA       LYS  35  -8.386   4.429   1.151
  153   1HB   LYS  35          2HB       LYS  35 -10.284   5.804   3.061
  154   2HB   LYS  35          1HB       LYS  35  -9.525   6.511   1.642
  155   1HG   LYS  35          2HG       LYS  35 -10.796   5.078   0.185
  156   2HG   LYS  35          1HG       LYS  35 -11.483   4.226   1.571
  157   1HD   LYS  35          2HD       LYS  35 -12.512   6.352   2.315
  158   2HD   LYS  35          1HD       LYS  35 -11.896   7.128   0.854
  159   1HE   LYS  35          2HE       LYS  35 -14.243   6.475   0.610
  160   2HE   LYS  35          1HE       LYS  35 -13.204   5.616  -0.526
  161   1HZ   LYS  35          1HZ       LYS  35 -13.257   3.690   0.915
  162   2HZ   LYS  35          2HZ       LYS  35 -14.833   4.149   0.507
  163   3HZ   LYS  35          3HZ       LYS  35 -14.218   4.513   2.039
  164    H    GLN  36           H        GLN  36  -6.487   3.602   2.395
  165    HA   GLN  36           HA       GLN  36  -5.416   5.760   3.967
  166   1HB   GLN  36          2HB       GLN  36  -5.281   4.808   6.038
  167   2HB   GLN  36          1HB       GLN  36  -6.778   4.075   5.491
  168   1HG   GLN  36          2HG       GLN  36  -5.816   2.175   6.171
  169   2HG   GLN  36          1HG       GLN  36  -4.987   2.254   4.622
  170   1HE2  GLN  36          1HE2      GLN  36  -4.297   4.487   7.156
  171   2HE2  GLN  36          2HE2      GLN  36  -2.728   3.884   7.552
  172    H    SER  37           H        SER  37  -3.126   5.332   4.603
  173    HA   SER  37           HA       SER  37  -1.826   3.752   2.492
  174   1HB   SER  37          2HB       SER  37  -0.546   5.895   4.192
  175   2HB   SER  37          1HB       SER  37   0.030   5.236   2.660
  176    HG   SER  37           HG       SER  37  -1.577   6.301   1.595
  177    H    THR  38           H        THR  38  -0.565   2.049   2.993
  178    HA   THR  38           HA       THR  38   0.230   1.679   5.802
  179    HB   THR  38           HB       THR  38  -1.749   0.286   5.337
  180    HG1  THR  38           1HG      THR  38  -0.409  -1.827   5.685
  181   1HG2  THR  38          1HG2      THR  38  -1.523  -1.632   3.788
  182   2HG2  THR  38          2HG2      THR  38   0.018  -0.976   3.238
  183   3HG2  THR  38          3HG2      THR  38  -1.473  -0.076   2.960
  184    H    TRP  39           H        TRP  39   2.018   0.240   6.143
  185    HA   TRP  39           HA       TRP  39   3.929   0.246   3.897
  186   1HB   TRP  39          2HB       TRP  39   4.284   0.210   6.893
  187   2HB   TRP  39          1HB       TRP  39   5.597  -0.201   5.798
  188    HD1  TRP  39           HD       TRP  39   3.948   2.719   7.416
  189    HE1  TRP  39           1HE      TRP  39   5.000   4.908   6.548
  190    HE3  TRP  39           3HE      TRP  39   6.595   0.829   3.479
  191    HZ2  TRP  39           2HZ      TRP  39   6.725   5.715   4.460
  192    HZ3  TRP  39           3HZ      TRP  39   7.918   2.371   2.096
  193    HH2  TRP  39           HH       TRP  39   7.985   4.760   2.580
  194    H    GLU  40           H        GLU  40   5.184  -1.575   3.457
  195    HA   GLU  40           HA       GLU  40   5.599  -3.778   3.128
  196   1HB   GLU  40          2HB       GLU  40   6.064  -3.770   5.550
  197   2HB   GLU  40          1HB       GLU  40   4.370  -4.114   5.871
  198   1HG   GLU  40          2HG       GLU  40   4.572  -6.252   4.729
  199   2HG   GLU  40          1HG       GLU  40   6.261  -5.906   4.362
  200    H    LYS  41           H        LYS  41   4.631  -5.639   2.354
  201    HA   LYS  41           HA       LYS  41   2.187  -5.469   1.143
  202   1HB   LYS  41          2HB       LYS  41   3.615  -7.953   2.102
  203   2HB   LYS  41          1HB       LYS  41   2.229  -7.976   1.021
  204   1HG   LYS  41          2HG       LYS  41   3.981  -8.142  -0.452
  205   2HG   LYS  41          1HG       LYS  41   3.680  -6.404  -0.450
  206   1HD   LYS  41          2HD       LYS  41   6.056  -6.805  -0.311
  207   2HD   LYS  41          1HD       LYS  41   5.489  -6.132   1.219
  208   1HE   LYS  41          2HE       LYS  41   7.066  -7.977   1.561
  209   2HE   LYS  41          1HE       LYS  41   5.471  -8.350   2.212
  210   1HZ   LYS  41          1HZ       LYS  41   5.013  -9.643   0.212
  211   2HZ   LYS  41          2HZ       LYS  41   6.375 -10.234   1.020
  212   3HZ   LYS  41          3HZ       LYS  41   6.561  -9.306  -0.381
  213    HA   PRO  42           HA       PRO  42  -0.748  -6.054   4.424
  214   1HB   PRO  42          2HB       PRO  42  -2.979  -6.426   2.993
  215   2HB   PRO  42          1HB       PRO  42  -2.147  -4.867   3.009
  216   1HG   PRO  42          2HG       PRO  42  -2.079  -7.027   0.940
  217   2HG   PRO  42          1HG       PRO  42  -2.184  -5.271   0.722
  218   1HD   PRO  42          2HD       PRO  42   0.141  -6.722   0.493
  219   2HD   PRO  42          1HD       PRO  42   0.080  -4.996   0.900
  220    HA   PRO   5           HA       PRO   5  -1.640   8.350  -7.365
  221   1HB   PRO   5          2HB       PRO   5   0.518   9.798  -6.098
  222   2HB   PRO   5          1HB       PRO   5   0.575   8.772  -7.531
  223   1HG   PRO   5          2HG       PRO   5   0.951  11.474  -7.596
  224   2HG   PRO   5          1HG       PRO   5   0.317  10.539  -8.961
  225   1HD   PRO   5          2HD       PRO   5  -1.162  12.185  -6.941
  226   2HD   PRO   5          1HD       PRO   5  -1.410  12.065  -8.697
  227    HA   PRO   6           HA       PRO   6  -2.980   8.369  -3.129
  228   1HB   PRO   6          2HB       PRO   6  -1.515   5.892  -2.675
  229   2HB   PRO   6          1HB       PRO   6  -3.257   6.145  -2.790
  230   1HG   PRO   6          2HG       PRO   6  -1.852   4.801  -4.672
  231   2HG   PRO   6          1HG       PRO   6  -3.297   5.755  -5.056
  232   1HD   PRO   6          2HD       PRO   6  -0.406   6.498  -5.372
  233   2HD   PRO   6          1HD       PRO   6  -1.761   6.746  -6.498
  234    HA   PRO   7           HA       PRO   7   0.472   9.911  -0.837
  235   1HB   PRO   7          2HB       PRO   7  -0.580  10.037   1.624
  236   2HB   PRO   7          1HB       PRO   7  -1.147  11.081   0.315
  237   1HG   PRO   7          2HG       PRO   7  -2.377   8.595   1.425
  238   2HG   PRO   7          1HG       PRO   7  -3.158  10.099   0.906
  239   1HD   PRO   7          2HD       PRO   7  -3.005   7.796  -0.611
  240   2HD   PRO   7          1HD       PRO   7  -3.251   9.427  -1.272
  241    H    LEU   8           H        LEU   8   2.156   9.301   0.457
  242    HA   LEU   8           HA       LEU   8   2.466   6.487   0.946
  243   1HB   LEU   8          2HB       LEU   8   4.336   7.745   0.118
  244   2HB   LEU   8          1HB       LEU   8   4.209   8.905   1.427
  245    HG   LEU   8           HG       LEU   8   4.716   6.781   2.916
  246   1HD1  LEU   8          1HD1      LEU   8   6.535   5.559   1.416
  247   2HD1  LEU   8          2HD1      LEU   8   5.380   5.967   0.151
  248   3HD1  LEU   8          3HD1      LEU   8   4.873   4.994   1.532
  249   1HD2  LEU   8          1HD2      LEU   8   6.815   8.210   1.286
  250   2HD2  LEU   8          2HD2      LEU   8   7.086   7.346   2.800
  251   3HD2  LEU   8          3HD2      LEU   8   6.089   8.800   2.780
  252    HA   PRO   9           HA       PRO   9   1.224   6.623   5.224
  253   1HB   PRO   9          2HB       PRO   9   2.719   4.240   5.831
  254   2HB   PRO   9          1HB       PRO   9   0.984   4.403   5.573
  255   1HG   PRO   9          2HG       PRO   9   2.687   3.069   3.878
  256   2HG   PRO   9          1HG       PRO   9   1.128   3.758   3.394
  257   1HD   PRO   9          2HD       PRO   9   3.885   4.832   2.998
  258   2HD   PRO   9          1HD       PRO   9   2.480   4.896   1.915
  259    HA   PRO  10           HA       PRO  10   4.688   8.331   7.416
  260   1HB   PRO  10          2HB       PRO  10   3.285   7.988   9.938
  261   2HB   PRO  10          1HB       PRO  10   3.605   9.474   9.042
  262   1HG   PRO  10          2HG       PRO  10   1.115   8.408   9.332
  263   2HG   PRO  10          1HG       PRO  10   1.600   9.394   7.941
  264   1HD   PRO  10          2HD       PRO  10   1.367   6.416   8.164
  265   2HD   PRO  10          1HD       PRO  10   0.908   7.487   6.823
  Start of MODEL   13
    1    H    SER  15           H        SER  15  -9.756  -7.015   0.963
    2    HA   SER  15           HA       SER  15  -7.391  -7.286  -0.755
    3   1HB   SER  15          2HB       SER  15 -10.268  -7.631  -1.634
    4   2HB   SER  15          1HB       SER  15  -8.900  -7.486  -2.736
    5    HG   SER  15           HG       SER  15  -9.689  -9.613  -1.153
    6    H    MET  16           H        MET  16  -8.398  -5.807  -2.903
    7    HA   MET  16           HA       MET  16  -8.692  -3.693  -3.661
    8   1HB   MET  16          2HB       MET  16 -10.136  -3.553  -1.045
    9   2HB   MET  16          1HB       MET  16  -9.846  -2.073  -1.941
   10   1HG   MET  16          2HG       MET  16 -12.046  -3.021  -2.412
   11   2HG   MET  16          1HG       MET  16 -11.033  -2.953  -3.853
   12   1HE   MET  16          1HE       MET  16 -12.384  -4.722  -5.285
   13   2HE   MET  16          2HE       MET  16 -13.574  -4.588  -3.991
   14   3HE   MET  16          3HE       MET  16 -13.077  -6.178  -4.568
   15    H    TRP  17           H        TRP  17  -6.276  -3.882  -3.422
   16    HA   TRP  17           HA       TRP  17  -5.299  -1.642  -1.778
   17   1HB   TRP  17          2HB       TRP  17  -3.764  -4.205  -2.263
   18   2HB   TRP  17          1HB       TRP  17  -3.254  -2.841  -1.275
   19    HD1  TRP  17           HD       TRP  17  -5.818  -5.713  -1.275
   20    HE1  TRP  17           1HE      TRP  17  -6.481  -6.199   1.164
   21    HE3  TRP  17           3HE      TRP  17  -3.324  -1.891   1.024
   22    HZ2  TRP  17           2HZ      TRP  17  -6.015  -5.111   3.717
   23    HZ3  TRP  17           3HZ      TRP  17  -3.484  -1.688   3.472
   24    HH2  TRP  17           HH       TRP  17  -4.802  -3.267   4.788
   25    H    THR  18           H        THR  18  -3.433  -0.561  -2.630
   26    HA   THR  18           HA       THR  18  -3.015  -1.018  -5.514
   27    HB   THR  18           HB       THR  18  -2.482   1.385  -5.719
   28    HG1  THR  18           1HG      THR  18  -2.444   2.663  -4.005
   29   1HG2  THR  18          1HG2      THR  18  -4.769   0.577  -6.156
   30   2HG2  THR  18          2HG2      THR  18  -4.757   2.227  -5.535
   31   3HG2  THR  18          3HG2      THR  18  -5.188   0.887  -4.471
   32    H    GLU  19           H        GLU  19  -0.913  -0.970  -6.298
   33    HA   GLU  19           HA       GLU  19   1.158  -1.173  -4.226
   34   1HB   GLU  19          2HB       GLU  19   0.832  -3.161  -5.628
   35   2HB   GLU  19          1HB       GLU  19   1.157  -2.203  -7.067
   36   1HG   GLU  19          2HG       GLU  19   3.427  -1.788  -6.291
   37   2HG   GLU  19          1HG       GLU  19   3.106  -2.727  -4.833
   38    H    HIS  20           H        HIS  20   2.699   0.287  -4.069
   39    HA   HIS  20           HA       HIS  20   3.575   1.799  -6.395
   40   1HB   HIS  20          2HB       HIS  20   2.378   3.061  -3.933
   41   2HB   HIS  20          1HB       HIS  20   3.453   3.940  -5.015
   42    HD1  HIS  20           1HD      HIS  20   2.558   4.395  -7.447
   43    HD2  HIS  20           2HD      HIS  20  -0.226   2.783  -4.816
   44    HE1  HIS  20           1HE      HIS  20   0.322   4.736  -8.544
   45    HE2  HIS  20           2HE      HIS  20  -1.343   3.708  -6.957
   46    H    LYS  21           H        LYS  21   5.532   3.177  -5.809
   47    HA   LYS  21           HA       LYS  21   7.142   1.694  -3.836
   48   1HB   LYS  21          2HB       LYS  21   7.884   1.301  -6.116
   49   2HB   LYS  21          1HB       LYS  21   8.005   3.030  -6.403
   50   1HG   LYS  21          2HG       LYS  21   9.752   3.135  -4.629
   51   2HG   LYS  21          1HG       LYS  21   9.695   1.374  -4.545
   52   1HD   LYS  21          2HD       LYS  21  11.449   1.712  -6.003
   53   2HD   LYS  21          1HD       LYS  21  10.098   1.519  -7.119
   54   1HE   LYS  21          2HE       LYS  21  11.233   4.147  -6.168
   55   2HE   LYS  21          1HE       LYS  21  11.542   3.407  -7.736
   56   1HZ   LYS  21          1HZ       LYS  21   9.144   3.549  -8.190
   57   2HZ   LYS  21          2HZ       LYS  21   9.848   5.068  -7.952
   58   3HZ   LYS  21          3HZ       LYS  21   8.920   4.364  -6.724
   59    H    SER  22           H        SER  22   7.295   2.888  -2.038
   60    HA   SER  22           HA       SER  22   7.092   5.591  -1.703
   61   1HB   SER  22          2HB       SER  22   7.195   3.982   0.160
   62   2HB   SER  22          1HB       SER  22   8.903   3.720  -0.162
   63    HG   SER  22           HG       SER  22   7.803   5.596   1.341
   64    HA   PRO  23           HA       PRO  23  10.528   7.449  -3.758
   65   1HB   PRO  23          2HB       PRO  23  10.465   9.455  -1.575
   66   2HB   PRO  23          1HB       PRO  23  10.292   9.682  -3.319
   67   1HG   PRO  23          2HG       PRO  23   8.178   9.887  -1.719
   68   2HG   PRO  23          1HG       PRO  23   8.040   9.095  -3.302
   69   1HD   PRO  23          2HD       PRO  23   8.288   7.857  -0.581
   70   2HD   PRO  23          1HD       PRO  23   7.214   7.404  -1.920
   71    H    ASP  24           H        ASP  24  10.658   6.566  -0.415
   72    HA   ASP  24           HA       ASP  24  13.464   7.145  -0.102
   73   1HB   ASP  24          2HB       ASP  24  11.558   5.548   1.624
   74   2HB   ASP  24          1HB       ASP  24  13.208   5.972   2.072
   75    H    GLY  25           H        GLY  25  12.095   5.084  -2.059
   76   1HA   GLY  25          2HA       GLY  25  13.058   3.313  -3.215
   77   2HA   GLY  25          1HA       GLY  25  14.322   3.240  -1.995
   78    H    ARG  26           H        ARG  26  10.867   3.151  -1.329
   79    HA   ARG  26           HA       ARG  26  11.180   0.337  -0.492
   80   1HB   ARG  26          2HB       ARG  26   9.212   2.144   0.855
   81   2HB   ARG  26          1HB       ARG  26   9.998   0.698   1.470
   82   1HG   ARG  26          2HG       ARG  26  11.343   3.351   1.031
   83   2HG   ARG  26          1HG       ARG  26  10.767   2.741   2.581
   84   1HD   ARG  26          2HD       ARG  26  12.305   0.857   2.429
   85   2HD   ARG  26          1HD       ARG  26  12.861   1.421   0.856
   86    HE   ARG  26           HE       ARG  26  13.299   3.527   2.542
   87   1HH1  ARG  26          1HH1      ARG  26  14.252   0.176   2.477
   88   2HH1  ARG  26          2HH1      ARG  26  15.755   0.454   3.290
   89   1HH2  ARG  26          1HH2      ARG  26  15.278   3.901   3.616
   90   2HH2  ARG  26          2HH2      ARG  26  16.337   2.570   3.939
   91    H    THR  27           H        THR  27   9.072  -0.826  -0.325
   92    HA   THR  27           HA       THR  27   7.297  -0.026  -2.538
   93    HB   THR  27           HB       THR  27   7.676  -2.794  -1.367
   94    HG1  THR  27           1HG      THR  27   9.454  -2.662  -2.537
   95   1HG2  THR  27          1HG2      THR  27   6.432  -3.551  -3.325
   96   2HG2  THR  27          2HG2      THR  27   6.253  -1.884  -3.873
   97   3HG2  THR  27          3HG2      THR  27   5.468  -2.412  -2.385
   98    H    TYR  28           H        TYR  28   5.616   1.055  -1.667
   99    HA   TYR  28           HA       TYR  28   4.413  -0.034   0.790
  100   1HB   TYR  28          2HB       TYR  28   3.779   2.111   1.434
  101   2HB   TYR  28          1HB       TYR  28   5.356   2.378   0.699
  102    HD1  TYR  28           1HD      TYR  28   1.803   3.085   0.516
  103    HD2  TYR  28           2HD      TYR  28   5.497   3.388  -1.575
  104    HE1  TYR  28           1HE      TYR  28   0.814   4.773  -0.971
  105    HE2  TYR  28           2HE      TYR  28   4.517   5.079  -3.068
  106    HH   TYR  28           HH       TYR  28   1.552   6.612  -2.430
  107    H    TYR  29           H        TYR  29   2.043   0.254   0.994
  108    HA   TYR  29           HA       TYR  29   0.674   0.099  -1.604
  109   1HB   TYR  29          2HB       TYR  29   0.297  -1.785   0.732
  110   2HB   TYR  29          1HB       TYR  29  -0.734  -1.743  -0.695
  111    HD1  TYR  29           1HD      TYR  29   2.734  -2.386   0.452
  112    HD2  TYR  29           2HD      TYR  29  -0.119  -2.894  -2.663
  113    HE1  TYR  29           1HE      TYR  29   4.260  -3.943  -0.683
  114    HE2  TYR  29           2HE      TYR  29   1.399  -4.455  -3.806
  115    HH   TYR  29           HH       TYR  29   3.799  -4.962  -3.889
  116    H    TYR  30           H        TYR  30  -1.368   0.955  -1.688
  117    HA   TYR  30           HA       TYR  30  -2.273   2.353   0.747
  118   1HB   TYR  30          2HB       TYR  30  -1.596   3.965  -0.894
  119   2HB   TYR  30          1HB       TYR  30  -2.491   3.140  -2.161
  120    HD1  TYR  30           1HD      TYR  30  -4.978   3.244  -2.178
  121    HD2  TYR  30           2HD      TYR  30  -2.654   5.564   0.529
  122    HE1  TYR  30           1HE      TYR  30  -6.914   4.707  -1.778
  123    HE2  TYR  30           2HE      TYR  30  -4.584   7.027   0.942
  124    HH   TYR  30           HH       TYR  30  -7.742   6.244  -0.081
  125    H    ASN  31           H        ASN  31  -4.074   1.569   1.598
  126    HA   ASN  31           HA       ASN  31  -5.720  -0.314   0.218
  127   1HB   ASN  31          2HB       ASN  31  -5.309  -0.361   2.683
  128   2HB   ASN  31          1HB       ASN  31  -6.270   1.105   2.834
  129   1HD2  ASN  31          1HD2      ASN  31  -6.325  -2.298   2.134
  130   2HD2  ASN  31          2HD2      ASN  31  -8.030  -2.511   2.308
  131    H    THR  32           H        THR  32  -7.444   0.067  -1.027
  132    HA   THR  32           HA       THR  32  -8.347   2.823  -1.311
  133    HB   THR  32           HB       THR  32  -7.899   1.741  -3.386
  134    HG1  THR  32           1HG      THR  32  -9.762   3.060  -3.402
  135   1HG2  THR  32          1HG2      THR  32  -9.137  -0.284  -4.102
  136   2HG2  THR  32          2HG2      THR  32  -9.802  -0.418  -2.474
  137   3HG2  THR  32          3HG2      THR  32  -8.065  -0.581  -2.735
  138    H    GLU  33           H        GLU  33  -9.288   0.119   0.449
  139    HA   GLU  33           HA       GLU  33 -12.125   0.440   0.277
  140   1HB   GLU  33          2HB       GLU  33 -10.792  -1.635   1.048
  141   2HB   GLU  33          1HB       GLU  33 -10.680  -0.817   2.598
  142   1HG   GLU  33          2HG       GLU  33 -13.263  -1.471   1.201
  143   2HG   GLU  33          1HG       GLU  33 -12.522  -2.463   2.456
  144    H    THR  34           H        THR  34  -9.937   0.982   3.040
  145    HA   THR  34           HA       THR  34 -11.798   2.819   4.252
  146    HB   THR  34           HB       THR  34  -8.976   2.089   5.070
  147    HG1  THR  34           1HG      THR  34 -11.225   0.684   5.176
  148   1HG2  THR  34          1HG2      THR  34  -9.647   4.212   6.045
  149   2HG2  THR  34          2HG2      THR  34  -9.633   2.959   7.282
  150   3HG2  THR  34          3HG2      THR  34 -11.164   3.503   6.600
  151    H    LYS  35           H        LYS  35  -9.187   2.964   2.079
  152    HA   LYS  35           HA       LYS  35  -8.289   4.666   0.876
  153   1HB   LYS  35          2HB       LYS  35 -10.088   6.521   2.447
  154   2HB   LYS  35          1HB       LYS  35  -9.234   6.901   0.957
  155   1HG   LYS  35          2HG       LYS  35 -10.584   5.297  -0.259
  156   2HG   LYS  35          1HG       LYS  35 -11.410   4.838   1.233
  157   1HD   LYS  35          2HD       LYS  35 -12.226   7.163   1.452
  158   2HD   LYS  35          1HD       LYS  35 -11.467   7.549  -0.095
  159   1HE   LYS  35          2HE       LYS  35 -12.876   5.907  -1.211
  160   2HE   LYS  35          1HE       LYS  35 -13.611   5.470   0.331
  161   1HZ   LYS  35          1HZ       LYS  35 -14.469   7.728   0.511
  162   2HZ   LYS  35          2HZ       LYS  35 -15.019   6.984  -0.904
  163   3HZ   LYS  35          3HZ       LYS  35 -13.778   8.131  -0.981
  164    H    GLN  36           H        GLN  36  -6.606   3.811   2.446
  165    HA   GLN  36           HA       GLN  36  -5.310   6.126   3.654
  166   1HB   GLN  36          2HB       GLN  36  -4.760   4.766   5.692
  167   2HB   GLN  36          1HB       GLN  36  -6.455   5.215   5.549
  168   1HG   GLN  36          2HG       GLN  36  -6.909   2.972   4.590
  169   2HG   GLN  36          1HG       GLN  36  -5.231   2.539   4.921
  170   1HE2  GLN  36          1HE2      GLN  36  -5.204   4.106   7.412
  171   2HE2  GLN  36          2HE2      GLN  36  -6.091   3.173   8.563
  172    H    SER  37           H        SER  37  -3.024   5.597   4.259
  173    HA   SER  37           HA       SER  37  -1.912   3.731   2.286
  174   1HB   SER  37          2HB       SER  37   0.080   5.372   3.491
  175   2HB   SER  37          1HB       SER  37  -0.436   5.327   1.813
  176    HG   SER  37           HG       SER  37  -1.086   7.284   2.272
  177    H    THR  38           H        THR  38  -0.421   2.176   2.858
  178    HA   THR  38           HA       THR  38   0.264   1.899   5.684
  179    HB   THR  38           HB       THR  38  -1.853   0.643   5.326
  180    HG1  THR  38           1HG      THR  38   0.004  -0.052   6.759
  181   1HG2  THR  38          1HG2      THR  38  -1.568  -0.013   3.010
  182   2HG2  THR  38          2HG2      THR  38  -1.746  -1.453   4.011
  183   3HG2  THR  38          3HG2      THR  38  -0.152  -0.980   3.426
  184    H    TRP  39           H        TRP  39   1.922   0.291   6.091
  185    HA   TRP  39           HA       TRP  39   3.775   0.008   3.815
  186   1HB   TRP  39          2HB       TRP  39   4.234  -0.047   6.808
  187   2HB   TRP  39          1HB       TRP  39   5.474  -0.429   5.622
  188    HD1  TRP  39           HD       TRP  39   3.888   2.466   7.391
  189    HE1  TRP  39           1HE      TRP  39   4.969   4.663   6.577
  190    HE3  TRP  39           3HE      TRP  39   6.461   0.647   3.376
  191    HZ2  TRP  39           2HZ      TRP  39   6.691   5.500   4.494
  192    HZ3  TRP  39           3HZ      TRP  39   7.798   2.201   2.026
  193    HH2  TRP  39           HH       TRP  39   7.916   4.576   2.577
  194    H    GLU  40           H        GLU  40   4.315  -1.968   3.075
  195    HA   GLU  40           HA       GLU  40   4.427  -4.223   2.816
  196   1HB   GLU  40          2HB       GLU  40   5.633  -4.166   4.957
  197   2HB   GLU  40          1HB       GLU  40   4.107  -4.283   5.823
  198   1HG   GLU  40          2HG       GLU  40   3.715  -6.484   4.841
  199   2HG   GLU  40          1HG       GLU  40   5.242  -6.366   3.969
  200    H    LYS  41           H        LYS  41   3.030  -5.767   2.204
  201    HA   LYS  41           HA       LYS  41   0.250  -5.287   2.397
  202   1HB   LYS  41          2HB       LYS  41   1.778  -7.717   1.451
  203   2HB   LYS  41          1HB       LYS  41   0.041  -7.516   1.275
  204   1HG   LYS  41          2HG       LYS  41   0.442  -5.492  -0.076
  205   2HG   LYS  41          1HG       LYS  41   2.178  -5.790   0.046
  206   1HD   LYS  41          2HD       LYS  41   1.417  -6.646  -2.060
  207   2HD   LYS  41          1HD       LYS  41   1.801  -8.016  -1.015
  208   1HE   LYS  41          2HE       LYS  41  -0.550  -8.326  -0.511
  209   2HE   LYS  41          1HE       LYS  41  -0.967  -6.899  -1.458
  210   1HZ   LYS  41          1HZ       LYS  41  -0.145  -8.015  -3.436
  211   2HZ   LYS  41          2HZ       LYS  41  -1.355  -8.938  -2.698
  212   3HZ   LYS  41          3HZ       LYS  41   0.268  -9.382  -2.528
  213    HA   PRO  42           HA       PRO  42  -0.755  -7.558   6.072
  214   1HB   PRO  42          2HB       PRO  42  -3.369  -7.927   5.745
  215   2HB   PRO  42          1HB       PRO  42  -2.705  -6.293   5.880
  216   1HG   PRO  42          2HG       PRO  42  -3.515  -7.807   3.426
  217   2HG   PRO  42          1HG       PRO  42  -3.843  -6.120   3.859
  218   1HD   PRO  42          2HD       PRO  42  -1.817  -6.914   2.180
  219   2HD   PRO  42          1HD       PRO  42  -1.800  -5.407   3.118
  220    HA   PRO   5           HA       PRO   5  -1.820   7.899  -7.290
  221   1HB   PRO   5          2HB       PRO   5   0.196   9.728  -6.304
  222   2HB   PRO   5          1HB       PRO   5   0.311   8.569  -7.630
  223   1HG   PRO   5          2HG       PRO   5   0.325  11.279  -7.982
  224   2HG   PRO   5          1HG       PRO   5  -0.233  10.129  -9.209
  225   1HD   PRO   5          2HD       PRO   5  -1.831  11.803  -7.309
  226   2HD   PRO   5          1HD       PRO   5  -2.147  11.418  -9.015
  227    HA   PRO   6           HA       PRO   6  -2.936   8.159  -3.007
  228   1HB   PRO   6          2HB       PRO   6  -1.349   5.802  -2.464
  229   2HB   PRO   6          1HB       PRO   6  -3.101   5.955  -2.583
  230   1HG   PRO   6          2HG       PRO   6  -1.602   4.589  -4.391
  231   2HG   PRO   6          1HG       PRO   6  -3.135   5.377  -4.795
  232   1HD   PRO   6          2HD       PRO   6  -0.334   6.350  -5.252
  233   2HD   PRO   6          1HD       PRO   6  -1.739   6.410  -6.339
  234    HA   PRO   7           HA       PRO   7   0.534   9.928  -0.877
  235   1HB   PRO   7          2HB       PRO   7  -0.826   9.699   1.651
  236   2HB   PRO   7          1HB       PRO   7  -0.645  11.131   0.635
  237   1HG   PRO   7          2HG       PRO   7  -3.035   9.859   1.105
  238   2HG   PRO   7          1HG       PRO   7  -2.699  10.866  -0.314
  239   1HD   PRO   7          2HD       PRO   7  -2.683   7.882  -0.054
  240   2HD   PRO   7          1HD       PRO   7  -3.259   8.901  -1.396
  241    H    LEU   8           H        LEU   8   2.258   9.330   0.454
  242    HA   LEU   8           HA       LEU   8   2.530   6.507   0.928
  243   1HB   LEU   8          2HB       LEU   8   4.403   7.827   0.109
  244   2HB   LEU   8          1HB       LEU   8   4.341   8.854   1.533
  245    HG   LEU   8           HG       LEU   8   4.850   6.679   2.844
  246   1HD1  LEU   8          1HD1      LEU   8   6.003   5.843   0.210
  247   2HD1  LEU   8          2HD1      LEU   8   4.395   5.332   0.718
  248   3HD1  LEU   8          3HD1      LEU   8   5.800   4.896   1.684
  249   1HD2  LEU   8          1HD2      LEU   8   7.249   6.987   2.488
  250   2HD2  LEU   8          2HD2      LEU   8   6.414   8.536   2.608
  251   3HD2  LEU   8          3HD2      LEU   8   6.916   7.924   1.033
  252    HA   PRO   9           HA       PRO   9   1.281   6.596   5.202
  253   1HB   PRO   9          2HB       PRO   9   2.709   4.182   5.801
  254   2HB   PRO   9          1HB       PRO   9   0.987   4.380   5.489
  255   1HG   PRO   9          2HG       PRO   9   2.750   3.052   3.830
  256   2HG   PRO   9          1HG       PRO   9   1.186   3.714   3.329
  257   1HD   PRO   9          2HD       PRO   9   3.925   4.813   2.946
  258   2HD   PRO   9          1HD       PRO   9   2.513   4.897   1.875
  259    HA   PRO  10           HA       PRO  10   4.821   8.096   7.427
  260   1HB   PRO  10          2HB       PRO  10   3.734   8.451   9.851
  261   2HB   PRO  10          1HB       PRO  10   3.262   9.452   8.473
  262   1HG   PRO  10          2HG       PRO  10   1.839   7.135   9.708
  263   2HG   PRO  10          1HG       PRO  10   1.175   8.649   9.070
  264   1HD   PRO  10          2HD       PRO  10   1.208   6.237   7.711
  265   2HD   PRO  10          1HD       PRO  10   1.063   7.830   6.947
  Start of MODEL   14
    1    H    SER  15           H        SER  15  -9.339  -6.938   0.597
    2    HA   SER  15           HA       SER  15  -7.796  -7.199  -1.804
    3   1HB   SER  15          2HB       SER  15  -9.850  -8.543  -2.332
    4   2HB   SER  15          1HB       SER  15 -10.807  -7.079  -2.106
    5    HG   SER  15           HG       SER  15 -10.072  -6.293  -3.943
    6    H    MET  16           H        MET  16  -8.874  -5.287  -3.380
    7    HA   MET  16           HA       MET  16  -9.164  -3.052  -3.677
    8   1HB   MET  16          2HB       MET  16  -9.922  -2.942  -0.753
    9   2HB   MET  16          1HB       MET  16 -10.281  -1.738  -1.979
   10   1HG   MET  16          2HG       MET  16 -11.742  -3.294  -3.123
   11   2HG   MET  16          1HG       MET  16 -11.344  -4.551  -1.953
   12   1HE   MET  16          1HE       MET  16 -13.708  -0.719  -0.941
   13   2HE   MET  16          2HE       MET  16 -13.170  -1.140  -2.568
   14   3HE   MET  16          3HE       MET  16 -11.987  -0.712  -1.330
   15    H    TRP  17           H        TRP  17  -6.680  -3.587  -3.663
   16    HA   TRP  17           HA       TRP  17  -5.416  -1.595  -1.904
   17   1HB   TRP  17          2HB       TRP  17  -4.237  -4.281  -2.650
   18   2HB   TRP  17          1HB       TRP  17  -3.426  -3.031  -1.718
   19    HD1  TRP  17           HD       TRP  17  -6.233  -5.632  -1.425
   20    HE1  TRP  17           1HE      TRP  17  -6.692  -6.054   1.070
   21    HE3  TRP  17           3HE      TRP  17  -3.245  -1.995   0.583
   22    HZ2  TRP  17           2HZ      TRP  17  -5.893  -4.998   3.557
   23    HZ3  TRP  17           3HZ      TRP  17  -3.150  -1.776   3.032
   24    HH2  TRP  17           HH       TRP  17  -4.446  -3.245   4.486
   25    H    THR  18           H        THR  18  -3.312  -0.825  -2.741
   26    HA   THR  18           HA       THR  18  -3.071  -1.038  -5.668
   27    HB   THR  18           HB       THR  18  -2.841   1.248  -6.000
   28    HG1  THR  18           1HG      THR  18  -2.159   1.318  -3.259
   29   1HG2  THR  18          1HG2      THR  18  -4.699   2.377  -4.860
   30   2HG2  THR  18          2HG2      THR  18  -4.784   1.055  -3.695
   31   3HG2  THR  18          3HG2      THR  18  -5.158   0.758  -5.392
   32    H    GLU  19           H        GLU  19  -0.958  -0.943  -6.474
   33    HA   GLU  19           HA       GLU  19   1.107  -1.348  -4.423
   34   1HB   GLU  19          2HB       GLU  19   0.729  -3.221  -5.967
   35   2HB   GLU  19          1HB       GLU  19   1.084  -2.174  -7.332
   36   1HG   GLU  19          2HG       GLU  19   3.103  -2.560  -5.166
   37   2HG   GLU  19          1HG       GLU  19   2.906  -3.770  -6.430
   38    H    HIS  20           H        HIS  20   2.634   0.090  -4.136
   39    HA   HIS  20           HA       HIS  20   3.607   1.728  -6.332
   40   1HB   HIS  20          2HB       HIS  20   2.331   2.879  -3.850
   41   2HB   HIS  20          1HB       HIS  20   3.416   3.802  -4.881
   42    HD1  HIS  20           1HD      HIS  20   2.567   4.166  -7.398
   43    HD2  HIS  20           2HD      HIS  20  -0.269   2.802  -4.686
   44    HE1  HIS  20           1HE      HIS  20   0.338   4.587  -8.487
   45    HE2  HIS  20           2HE      HIS  20  -1.363   3.716  -6.844
   46    H    LYS  21           H        LYS  21   5.470   3.187  -5.439
   47    HA   LYS  21           HA       LYS  21   6.926   1.698  -3.362
   48   1HB   LYS  21          2HB       LYS  21   8.032   2.612  -6.016
   49   2HB   LYS  21          1HB       LYS  21   9.002   1.966  -4.700
   50   1HG   LYS  21          2HG       LYS  21   7.889  -0.163  -4.860
   51   2HG   LYS  21          1HG       LYS  21   6.785   0.469  -6.083
   52   1HD   LYS  21          2HD       LYS  21   9.746   0.562  -6.526
   53   2HD   LYS  21          1HD       LYS  21   8.850  -0.930  -6.817
   54   1HE   LYS  21          2HE       LYS  21   9.022   0.276  -8.884
   55   2HE   LYS  21          1HE       LYS  21   7.347   0.333  -8.338
   56   1HZ   LYS  21          1HZ       LYS  21   7.682   2.560  -7.544
   57   2HZ   LYS  21          2HZ       LYS  21   8.162   2.481  -9.163
   58   3HZ   LYS  21          3HZ       LYS  21   9.326   2.509  -7.937
   59    H    SER  22           H        SER  22   7.419   2.984  -1.745
   60    HA   SER  22           HA       SER  22   7.242   5.729  -1.646
   61   1HB   SER  22          2HB       SER  22   7.438   4.160   0.312
   62   2HB   SER  22          1HB       SER  22   9.164   4.062  -0.021
   63    HG   SER  22           HG       SER  22   9.300   5.777   1.172
   64    HA   PRO  23           HA       PRO  23  10.688   7.302  -3.923
   65   1HB   PRO  23          2HB       PRO  23  10.767   9.493  -1.939
   66   2HB   PRO  23          1HB       PRO  23  10.503   9.565  -3.684
   67   1HG   PRO  23          2HG       PRO  23   8.497   9.980  -1.967
   68   2HG   PRO  23          1HG       PRO  23   8.238   9.118  -3.495
   69   1HD   PRO  23          2HD       PRO  23   8.535   8.017  -0.723
   70   2HD   PRO  23          1HD       PRO  23   7.417   7.530  -2.012
   71    H    ASP  24           H        ASP  24  10.845   6.690  -0.524
   72    HA   ASP  24           HA       ASP  24  13.653   7.232  -0.256
   73   1HB   ASP  24          2HB       ASP  24  11.812   5.658   1.560
   74   2HB   ASP  24          1HB       ASP  24  13.419   6.248   1.973
   75    H    GLY  25           H        GLY  25  12.152   5.002  -2.013
   76   1HA   GLY  25          2HA       GLY  25  13.178   3.216  -3.126
   77   2HA   GLY  25          1HA       GLY  25  14.409   3.170  -1.873
   78    H    ARG  26           H        ARG  26  10.959   3.191  -1.209
   79    HA   ARG  26           HA       ARG  26  11.202   0.392  -0.296
   80   1HB   ARG  26          2HB       ARG  26   9.097   1.939   1.008
   81   2HB   ARG  26          1HB       ARG  26  10.315   0.889   1.711
   82   1HG   ARG  26          2HG       ARG  26  11.158   3.566   0.742
   83   2HG   ARG  26          1HG       ARG  26  10.230   3.463   2.235
   84   1HD   ARG  26          2HD       ARG  26  12.633   3.437   2.675
   85   2HD   ARG  26          1HD       ARG  26  11.866   1.934   3.176
   86    HE   ARG  26           HE       ARG  26  12.734   1.328   0.711
   87   1HH1  ARG  26          1HH1      ARG  26  14.301   2.820   3.441
   88   2HH1  ARG  26          2HH1      ARG  26  15.873   2.221   3.030
   89   1HH2  ARG  26          1HH2      ARG  26  14.803   0.532   0.163
   90   2HH2  ARG  26          2HH2      ARG  26  16.158   0.920   1.168
   91    H    THR  27           H        THR  27   9.059  -0.734  -0.137
   92    HA   THR  27           HA       THR  27   7.353   0.037  -2.413
   93    HB   THR  27           HB       THR  27   7.722  -2.719  -1.218
   94    HG1  THR  27           1HG      THR  27   8.508  -2.381  -3.803
   95   1HG2  THR  27          1HG2      THR  27   6.490  -3.488  -3.196
   96   2HG2  THR  27          2HG2      THR  27   6.262  -1.815  -3.704
   97   3HG2  THR  27          3HG2      THR  27   5.514  -2.395  -2.218
   98    H    TYR  28           H        TYR  28   5.551   1.022  -1.710
   99    HA   TYR  28           HA       TYR  28   4.281  -0.036   0.729
  100   1HB   TYR  28          2HB       TYR  28   3.618   2.105   1.372
  101   2HB   TYR  28          1HB       TYR  28   5.238   2.365   0.735
  102    HD1  TYR  28           1HD      TYR  28   5.499   3.354  -1.561
  103    HD2  TYR  28           2HD      TYR  28   1.736   3.165   0.414
  104    HE1  TYR  28           1HE      TYR  28   4.621   5.080  -3.077
  105    HE2  TYR  28           2HE      TYR  28   0.846   4.886  -1.100
  106    HH   TYR  28           HH       TYR  28   1.653   6.678  -2.532
  107    H    TYR  29           H        TYR  29   1.891   0.299   0.828
  108    HA   TYR  29           HA       TYR  29   0.649   0.170  -1.838
  109   1HB   TYR  29          2HB       TYR  29   0.158  -1.750   0.450
  110   2HB   TYR  29          1HB       TYR  29  -0.797  -1.686  -1.027
  111    HD1  TYR  29           1HD      TYR  29   2.690  -2.199   0.183
  112    HD2  TYR  29           2HD      TYR  29  -0.167  -2.969  -2.873
  113    HE1  TYR  29           1HE      TYR  29   4.264  -3.749  -0.889
  114    HE2  TYR  29           2HE      TYR  29   1.399  -4.523  -3.955
  115    HH   TYR  29           HH       TYR  29   3.839  -4.919  -4.035
  116    H    TYR  30           H        TYR  30  -1.569   0.758  -1.916
  117    HA   TYR  30           HA       TYR  30  -2.428   2.359   0.405
  118   1HB   TYR  30          2HB       TYR  30  -1.996   3.659  -1.664
  119   2HB   TYR  30          1HB       TYR  30  -3.217   2.704  -2.495
  120    HD1  TYR  30           1HD      TYR  30  -5.614   2.803  -1.589
  121    HD2  TYR  30           2HD      TYR  30  -2.600   5.601  -0.503
  122    HE1  TYR  30           1HE      TYR  30  -7.352   4.384  -0.862
  123    HE2  TYR  30           2HE      TYR  30  -4.331   7.184   0.236
  124    HH   TYR  30           HH       TYR  30  -7.597   6.295   0.625
  125    H    ASN  31           H        ASN  31  -4.240   1.839   1.415
  126    HA   ASN  31           HA       ASN  31  -5.840  -0.374   0.393
  127   1HB   ASN  31          2HB       ASN  31  -4.995  -0.340   2.763
  128   2HB   ASN  31          1HB       ASN  31  -6.054   1.031   3.061
  129   1HD2  ASN  31          1HD2      ASN  31  -7.213  -0.096   4.615
  130   2HD2  ASN  31          2HD2      ASN  31  -8.332  -1.345   4.200
  131    H    THR  32           H        THR  32  -7.394   0.245  -1.000
  132    HA   THR  32           HA       THR  32  -8.727   2.801  -0.654
  133    HB   THR  32           HB       THR  32  -8.142   2.135  -2.923
  134    HG1  THR  32           1HG      THR  32 -10.250   2.441  -3.832
  135   1HG2  THR  32          1HG2      THR  32 -10.075  -0.152  -2.547
  136   2HG2  THR  32          2HG2      THR  32  -8.320  -0.305  -2.620
  137   3HG2  THR  32          3HG2      THR  32  -9.214   0.257  -4.031
  138    H    GLU  33           H        GLU  33  -9.039   0.031   0.887
  139    HA   GLU  33           HA       GLU  33 -11.941  -0.207   0.784
  140   1HB   GLU  33          2HB       GLU  33 -10.524  -2.244   0.876
  141   2HB   GLU  33          1HB       GLU  33  -9.933  -1.738   2.452
  142   1HG   GLU  33          2HG       GLU  33 -12.193  -1.890   3.355
  143   2HG   GLU  33          1HG       GLU  33 -12.794  -2.385   1.773
  144    H    THR  34           H        THR  34  -9.604  -0.057   3.475
  145    HA   THR  34           HA       THR  34 -11.546   1.177   5.203
  146    HB   THR  34           HB       THR  34  -8.578   0.849   5.697
  147    HG1  THR  34           1HG      THR  34  -8.968  -1.191   6.171
  148   1HG2  THR  34          1HG2      THR  34  -9.261   0.872   8.071
  149   2HG2  THR  34          2HG2      THR  34 -10.921   1.198   7.573
  150   3HG2  THR  34          3HG2      THR  34  -9.653   2.381   7.246
  151    H    LYS  35           H        LYS  35  -9.291   2.211   2.913
  152    HA   LYS  35           HA       LYS  35  -8.812   4.261   2.061
  153   1HB   LYS  35          2HB       LYS  35 -10.549   5.391   4.263
  154   2HB   LYS  35          1HB       LYS  35  -9.963   6.260   2.851
  155   1HG   LYS  35          2HG       LYS  35 -11.285   4.869   1.392
  156   2HG   LYS  35          1HG       LYS  35 -11.801   3.876   2.757
  157   1HD   LYS  35          2HD       LYS  35 -12.935   5.796   3.742
  158   2HD   LYS  35          1HD       LYS  35 -12.386   6.818   2.411
  159   1HE   LYS  35          2HE       LYS  35 -13.659   5.476   0.831
  160   2HE   LYS  35          1HE       LYS  35 -14.172   4.403   2.132
  161   1HZ   LYS  35          1HZ       LYS  35 -14.820   7.296   1.946
  162   2HZ   LYS  35          2HZ       LYS  35 -15.346   6.236   3.154
  163   3HZ   LYS  35          3HZ       LYS  35 -15.876   6.031   1.562
  164    H    GLN  36           H        GLN  36  -6.719   3.494   2.987
  165    HA   GLN  36           HA       GLN  36  -5.490   5.661   4.393
  166   1HB   GLN  36          2HB       GLN  36  -5.086   4.768   6.449
  167   2HB   GLN  36          1HB       GLN  36  -6.594   3.933   6.109
  168   1HG   GLN  36          2HG       GLN  36  -5.069   2.082   5.132
  169   2HG   GLN  36          1HG       GLN  36  -3.799   2.885   6.044
  170   1HE2  GLN  36          1HE2      GLN  36  -3.809   2.814   8.232
  171   2HE2  GLN  36          2HE2      GLN  36  -4.828   1.763   9.150
  172    H    SER  37           H        SER  37  -3.118   5.253   4.697
  173    HA   SER  37           HA       SER  37  -2.130   3.599   2.478
  174   1HB   SER  37          2HB       SER  37  -0.747   5.864   3.943
  175   2HB   SER  37          1HB       SER  37  -0.138   5.020   2.518
  176    HG   SER  37           HG       SER  37  -1.434   6.151   1.293
  177    H    THR  38           H        THR  38  -0.622   2.002   2.825
  178    HA   THR  38           HA       THR  38   0.267   1.608   5.600
  179    HB   THR  38           HB       THR  38  -1.683   0.152   5.116
  180    HG1  THR  38           1HG      THR  38  -0.644  -1.734   5.906
  181   1HG2  THR  38          1HG2      THR  38  -1.331  -0.222   2.739
  182   2HG2  THR  38          2HG2      THR  38  -1.361  -1.766   3.590
  183   3HG2  THR  38          3HG2      THR  38   0.177  -1.075   3.070
  184    H    TRP  39           H        TRP  39   2.064   0.166   5.866
  185    HA   TRP  39           HA       TRP  39   3.986   0.329   3.636
  186   1HB   TRP  39          2HB       TRP  39   4.300   0.133   6.633
  187   2HB   TRP  39          1HB       TRP  39   5.639  -0.179   5.538
  188    HD1  TRP  39           HD       TRP  39   3.843   2.608   7.269
  189    HE1  TRP  39           1HE      TRP  39   4.863   4.868   6.561
  190    HE3  TRP  39           3HE      TRP  39   6.681   1.006   3.345
  191    HZ2  TRP  39           2HZ      TRP  39   6.648   5.835   4.583
  192    HZ3  TRP  39           3HZ      TRP  39   8.008   2.646   2.101
  193    HH2  TRP  39           HH       TRP  39   7.999   5.011   2.705
  194    H    GLU  40           H        GLU  40   5.403  -1.452   3.269
  195    HA   GLU  40           HA       GLU  40   5.897  -3.631   2.879
  196   1HB   GLU  40          2HB       GLU  40   6.097  -3.714   5.344
  197   2HB   GLU  40          1HB       GLU  40   4.395  -4.146   5.452
  198   1HG   GLU  40          2HG       GLU  40   4.858  -6.192   4.167
  199   2HG   GLU  40          1HG       GLU  40   6.569  -5.765   4.138
  200    H    LYS  41           H        LYS  41   5.073  -5.439   1.899
  201    HA   LYS  41           HA       LYS  41   2.738  -5.280   0.484
  202   1HB   LYS  41          2HB       LYS  41   4.140  -7.797   1.399
  203   2HB   LYS  41          1HB       LYS  41   2.956  -7.716   0.103
  204   1HG   LYS  41          2HG       LYS  41   4.413  -6.367  -1.231
  205   2HG   LYS  41          1HG       LYS  41   5.561  -6.212   0.099
  206   1HD   LYS  41          2HD       LYS  41   5.988  -8.613   0.022
  207   2HD   LYS  41          1HD       LYS  41   4.816  -8.789  -1.286
  208   1HE   LYS  41          2HE       LYS  41   7.133  -8.741  -2.110
  209   2HE   LYS  41          1HE       LYS  41   6.175  -7.398  -2.731
  210   1HZ   LYS  41          1HZ       LYS  41   7.170  -5.958  -1.073
  211   2HZ   LYS  41          2HZ       LYS  41   8.374  -6.681  -2.017
  212   3HZ   LYS  41          3HZ       LYS  41   8.074  -7.248  -0.451
  213    HA   PRO  42           HA       PRO  42  -0.412  -6.183   3.491
  214   1HB   PRO  42          2HB       PRO  42  -2.527  -6.408   1.858
  215   2HB   PRO  42          1HB       PRO  42  -1.731  -4.852   2.133
  216   1HG   PRO  42          2HG       PRO  42  -1.451  -6.742  -0.172
  217   2HG   PRO  42          1HG       PRO  42  -1.595  -4.976  -0.187
  218   1HD   PRO  42          2HD       PRO  42   0.785  -6.311  -0.418
  219   2HD   PRO  42          1HD       PRO  42   0.636  -4.669   0.237
  220    HA   PRO   5           HA       PRO   5  -1.465   8.102  -7.500
  221   1HB   PRO   5          2HB       PRO   5   0.663   9.681  -6.349
  222   2HB   PRO   5          1HB       PRO   5   0.733   8.576  -7.723
  223   1HG   PRO   5          2HG       PRO   5   1.026  11.291  -7.930
  224   2HG   PRO   5          1HG       PRO   5   0.445  10.254  -9.244
  225   1HD   PRO   5          2HD       PRO   5  -1.112  11.984  -7.362
  226   2HD   PRO   5          1HD       PRO   5  -1.353  11.705  -9.101
  227    HA   PRO   6           HA       PRO   6  -2.788   8.404  -3.274
  228   1HB   PRO   6          2HB       PRO   6  -1.414   5.966  -2.592
  229   2HB   PRO   6          1HB       PRO   6  -3.136   6.216  -2.877
  230   1HG   PRO   6          2HG       PRO   6  -1.505   4.756  -4.512
  231   2HG   PRO   6          1HG       PRO   6  -3.004   5.534  -5.043
  232   1HD   PRO   6          2HD       PRO   6  -0.171   6.437  -5.396
  233   2HD   PRO   6          1HD       PRO   6  -1.543   6.553  -6.521
  234    HA   PRO   7           HA       PRO   7   0.654  10.011  -1.007
  235   1HB   PRO   7          2HB       PRO   7  -0.440  10.248   1.430
  236   2HB   PRO   7          1HB       PRO   7  -0.969  11.250   0.074
  237   1HG   PRO   7          2HG       PRO   7  -2.253   8.824   1.253
  238   2HG   PRO   7          1HG       PRO   7  -3.005  10.317   0.667
  239   1HD   PRO   7          2HD       PRO   7  -2.864   7.961  -0.770
  240   2HD   PRO   7          1HD       PRO   7  -3.065   9.574  -1.490
  241    H    LEU   8           H        LEU   8   2.302   9.402   0.369
  242    HA   LEU   8           HA       LEU   8   2.534   6.587   0.893
  243   1HB   LEU   8          2HB       LEU   8   4.417   7.945   0.101
  244   2HB   LEU   8          1HB       LEU   8   4.345   8.915   1.562
  245    HG   LEU   8           HG       LEU   8   4.800   6.672   2.783
  246   1HD1  LEU   8          1HD1      LEU   8   5.902   4.994   1.524
  247   2HD1  LEU   8          2HD1      LEU   8   5.938   6.005   0.083
  248   3HD1  LEU   8          3HD1      LEU   8   4.405   5.365   0.676
  249   1HD2  LEU   8          1HD2      LEU   8   6.907   8.037   1.110
  250   2HD2  LEU   8          2HD2      LEU   8   7.219   6.992   2.496
  251   3HD2  LEU   8          3HD2      LEU   8   6.372   8.523   2.719
  252    HA   PRO   9           HA       PRO   9   1.188   6.751   5.136
  253   1HB   PRO   9          2HB       PRO   9   2.596   4.333   5.793
  254   2HB   PRO   9          1HB       PRO   9   0.877   4.540   5.463
  255   1HG   PRO   9          2HG       PRO   9   2.633   3.169   3.841
  256   2HG   PRO   9          1HG       PRO   9   1.092   3.855   3.307
  257   1HD   PRO   9          2HD       PRO   9   3.861   4.904   2.960
  258   2HD   PRO   9          1HD       PRO   9   2.471   4.992   1.858
  259    HA   PRO  10           HA       PRO  10   4.676   8.307   7.409
  260   1HB   PRO  10          2HB       PRO  10   3.574   8.599   9.839
  261   2HB   PRO  10          1HB       PRO  10   3.090   9.615   8.476
  262   1HG   PRO  10          2HG       PRO  10   1.720   7.223   9.639
  263   2HG   PRO  10          1HG       PRO  10   1.019   8.752   9.077
  264   1HD   PRO  10          2HD       PRO  10   1.049   6.435   7.600
  265   2HD   PRO  10          1HD       PRO  10   0.966   8.061   6.896
  Start of MODEL   15
    1    H    SER  15           H        SER  15 -10.609  -7.899  -1.584
    2    HA   SER  15           HA       SER  15  -7.900  -7.102  -1.553
    3   1HB   SER  15          2HB       SER  15  -8.914  -8.325  -3.438
    4   2HB   SER  15          1HB       SER  15  -9.907  -6.918  -3.811
    5    HG   SER  15           HG       SER  15  -7.298  -6.240  -3.631
    6    H    MET  16           H        MET  16  -9.142  -5.089  -3.839
    7    HA   MET  16           HA       MET  16  -9.296  -2.832  -4.045
    8   1HB   MET  16          2HB       MET  16 -10.097  -2.961  -1.129
    9   2HB   MET  16          1HB       MET  16 -10.286  -1.565  -2.172
   10   1HG   MET  16          2HG       MET  16 -11.632  -4.228  -2.543
   11   2HG   MET  16          1HG       MET  16 -12.380  -2.775  -1.883
   12   1HE   MET  16          1HE       MET  16 -13.753  -4.322  -4.217
   13   2HE   MET  16          2HE       MET  16 -14.165  -3.018  -5.329
   14   3HE   MET  16          3HE       MET  16 -14.369  -2.792  -3.592
   15    H    TRP  17           H        TRP  17  -6.808  -3.558  -3.965
   16    HA   TRP  17           HA       TRP  17  -5.492  -1.652  -2.145
   17   1HB   TRP  17          2HB       TRP  17  -4.618  -4.454  -2.845
   18   2HB   TRP  17          1HB       TRP  17  -3.521  -3.262  -2.164
   19    HD1  TRP  17           HD       TRP  17  -6.426  -5.544  -1.224
   20    HE1  TRP  17           1HE      TRP  17  -6.629  -5.609   1.340
   21    HE3  TRP  17           3HE      TRP  17  -3.091  -1.845  -0.044
   22    HZ2  TRP  17           2HZ      TRP  17  -5.523  -4.279   3.566
   23    HZ3  TRP  17           3HZ      TRP  17  -2.723  -1.311   2.325
   24    HH2  TRP  17           HH       TRP  17  -3.913  -2.501   4.094
   25    H    THR  18           H        THR  18  -3.534  -0.732  -2.912
   26    HA   THR  18           HA       THR  18  -3.045  -1.032  -5.801
   27    HB   THR  18           HB       THR  18  -2.557   1.385  -5.945
   28    HG1  THR  18           1HG      THR  18  -3.784   2.368  -3.861
   29   1HG2  THR  18          1HG2      THR  18  -4.875   2.182  -5.840
   30   2HG2  THR  18          2HG2      THR  18  -5.320   0.762  -4.894
   31   3HG2  THR  18          3HG2      THR  18  -4.781   0.576  -6.563
   32    H    GLU  19           H        GLU  19  -0.895  -1.002  -6.428
   33    HA   GLU  19           HA       GLU  19   1.024  -1.129  -4.209
   34   1HB   GLU  19          2HB       GLU  19   0.785  -3.155  -5.604
   35   2HB   GLU  19          1HB       GLU  19   1.290  -2.229  -7.010
   36   1HG   GLU  19          2HG       GLU  19   3.460  -1.824  -5.968
   37   2HG   GLU  19          1HG       GLU  19   2.952  -2.747  -4.554
   38    H    HIS  20           H        HIS  20   2.561   0.318  -3.984
   39    HA   HIS  20           HA       HIS  20   3.603   1.791  -6.269
   40   1HB   HIS  20          2HB       HIS  20   2.270   3.116  -3.903
   41   2HB   HIS  20          1HB       HIS  20   3.367   3.964  -4.987
   42    HD1  HIS  20           1HD      HIS  20   2.517   4.445  -7.396
   43    HD2  HIS  20           2HD      HIS  20  -0.282   2.632  -4.916
   44    HE1  HIS  20           1HE      HIS  20   0.314   4.675  -8.588
   45    HE2  HIS  20           2HE      HIS  20  -1.356   3.518  -7.096
   46    H    LYS  21           H        LYS  21   5.462   3.299  -5.418
   47    HA   LYS  21           HA       LYS  21   6.858   1.832  -3.283
   48   1HB   LYS  21          2HB       LYS  21   8.540   1.324  -4.646
   49   2HB   LYS  21          1HB       LYS  21   7.584   1.948  -5.980
   50   1HG   LYS  21          2HG       LYS  21   8.589   4.174  -5.612
   51   2HG   LYS  21          1HG       LYS  21   9.593   3.477  -4.339
   52   1HD   LYS  21          2HD       LYS  21  10.610   1.961  -5.958
   53   2HD   LYS  21          1HD       LYS  21   9.588   2.624  -7.234
   54   1HE   LYS  21          2HE       LYS  21  11.649   4.148  -5.643
   55   2HE   LYS  21          1HE       LYS  21  11.838   3.582  -7.302
   56   1HZ   LYS  21          1HZ       LYS  21  10.001   5.009  -7.958
   57   2HZ   LYS  21          2HZ       LYS  21  11.226   5.916  -7.227
   58   3HZ   LYS  21          3HZ       LYS  21   9.816   5.548  -6.365
   59    H    SER  22           H        SER  22   7.650   2.953  -1.657
   60    HA   SER  22           HA       SER  22   7.215   5.679  -1.280
   61   1HB   SER  22          2HB       SER  22   7.532   4.148   0.593
   62   2HB   SER  22          1HB       SER  22   9.186   3.832   0.085
   63    HG   SER  22           HG       SER  22   8.166   5.933   1.505
   64    HA   PRO  23           HA       PRO  23  10.293   7.902  -3.493
   65   1HB   PRO  23          2HB       PRO  23  10.904   9.230  -0.889
   66   2HB   PRO  23          1HB       PRO  23  10.566   9.949  -2.468
   67   1HG   PRO  23          2HG       PRO  23   8.693   9.944  -0.597
   68   2HG   PRO  23          1HG       PRO  23   8.269   9.591  -2.284
   69   1HD   PRO  23          2HD       PRO  23   8.581   7.722   0.026
   70   2HD   PRO  23          1HD       PRO  23   7.401   7.683  -1.296
   71    H    ASP  24           H        ASP  24  11.490   7.258  -0.183
   72    HA   ASP  24           HA       ASP  24  14.189   7.230  -0.717
   73   1HB   ASP  24          2HB       ASP  24  13.279   7.104   1.551
   74   2HB   ASP  24          1HB       ASP  24  12.697   5.472   1.239
   75    H    GLY  25           H        GLY  25  11.815   4.903  -1.611
   76   1HA   GLY  25          2HA       GLY  25  12.409   3.461  -3.499
   77   2HA   GLY  25          1HA       GLY  25  13.950   3.185  -2.707
   78    H    ARG  26           H        ARG  26  10.687   3.163  -1.316
   79    HA   ARG  26           HA       ARG  26  11.164   0.346  -0.559
   80   1HB   ARG  26          2HB       ARG  26   9.727   2.553   0.885
   81   2HB   ARG  26          1HB       ARG  26   9.433   0.864   1.262
   82   1HG   ARG  26          2HG       ARG  26  11.028   1.344   2.790
   83   2HG   ARG  26          1HG       ARG  26  12.050   0.798   1.465
   84   1HD   ARG  26          2HD       ARG  26  12.984   2.819   2.360
   85   2HD   ARG  26          1HD       ARG  26  12.315   3.166   0.766
   86    HE   ARG  26           HE       ARG  26  10.368   4.120   1.963
   87   1HH1  ARG  26          1HH1      ARG  26  13.427   3.822   3.610
   88   2HH1  ARG  26          2HH1      ARG  26  13.091   5.097   4.734
   89   1HH2  ARG  26          1HH2      ARG  26   9.919   5.796   3.441
   90   2HH2  ARG  26          2HH2      ARG  26  11.097   6.218   4.639
   91    H    THR  27           H        THR  27   9.117  -0.934  -0.264
   92    HA   THR  27           HA       THR  27   7.243  -0.259  -2.428
   93    HB   THR  27           HB       THR  27   7.752  -2.944  -1.121
   94    HG1  THR  27           1HG      THR  27   8.391  -2.162  -3.776
   95   1HG2  THR  27          1HG2      THR  27   5.463  -2.743  -1.947
   96   2HG2  THR  27          2HG2      THR  27   6.395  -3.845  -2.961
   97   3HG2  THR  27          3HG2      THR  27   6.065  -2.202  -3.515
   98    H    TYR  28           H        TYR  28   5.586   0.870  -1.572
   99    HA   TYR  28           HA       TYR  28   4.364  -0.169   0.898
  100   1HB   TYR  28          2HB       TYR  28   3.771   1.988   1.549
  101   2HB   TYR  28          1HB       TYR  28   5.362   2.222   0.832
  102    HD1  TYR  28           1HD      TYR  28   1.855   3.065   0.671
  103    HD2  TYR  28           2HD      TYR  28   5.525   3.198  -1.479
  104    HE1  TYR  28           1HE      TYR  28   0.915   4.788  -0.811
  105    HE2  TYR  28           2HE      TYR  28   4.596   4.923  -2.966
  106    HH   TYR  28           HH       TYR  28   1.649   6.550  -2.300
  107    H    TYR  29           H        TYR  29   1.985   0.205   1.068
  108    HA   TYR  29           HA       TYR  29   0.685   0.009  -1.567
  109   1HB   TYR  29          2HB       TYR  29   0.114  -1.731   0.842
  110   2HB   TYR  29          1HB       TYR  29  -0.798  -1.750  -0.664
  111    HD1  TYR  29           1HD      TYR  29   2.514  -2.460   0.829
  112    HD2  TYR  29           2HD      TYR  29  -0.035  -2.986  -2.536
  113    HE1  TYR  29           1HE      TYR  29   4.075  -4.125  -0.086
  114    HE2  TYR  29           2HE      TYR  29   1.519  -4.654  -3.459
  115    HH   TYR  29           HH       TYR  29   3.903  -5.249  -3.277
  116    H    TYR  30           H        TYR  30  -1.549   0.577  -1.611
  117    HA   TYR  30           HA       TYR  30  -2.423   2.227   0.665
  118   1HB   TYR  30          2HB       TYR  30  -1.687   3.768  -1.021
  119   2HB   TYR  30          1HB       TYR  30  -2.543   2.891  -2.280
  120    HD1  TYR  30           1HD      TYR  30  -2.783   5.424   0.298
  121    HD2  TYR  30           2HD      TYR  30  -5.032   2.993  -2.372
  122    HE1  TYR  30           1HE      TYR  30  -4.724   6.896   0.603
  123    HE2  TYR  30           2HE      TYR  30  -6.982   4.461  -2.073
  124    HH   TYR  30           HH       TYR  30  -6.784   7.507  -0.647
  125    H    ASN  31           H        ASN  31  -4.289   1.564   1.463
  126    HA   ASN  31           HA       ASN  31  -5.910  -0.336   0.001
  127   1HB   ASN  31          2HB       ASN  31  -5.402  -0.589   2.444
  128   2HB   ASN  31          1HB       ASN  31  -6.391   0.834   2.748
  129   1HD2  ASN  31          1HD2      ASN  31  -7.808  -0.350   4.026
  130   2HD2  ASN  31          2HD2      ASN  31  -8.954  -1.451   3.346
  131    H    THR  32           H        THR  32  -7.456   0.305  -1.346
  132    HA   THR  32           HA       THR  32  -8.548   2.986  -1.152
  133    HB   THR  32           HB       THR  32  -8.004   2.196  -3.374
  134    HG1  THR  32           1HG      THR  32 -10.735   2.041  -3.647
  135   1HG2  THR  32          1HG2      THR  32  -8.247  -0.198  -3.043
  136   2HG2  THR  32          2HG2      THR  32  -9.242   0.323  -4.401
  137   3HG2  THR  32          3HG2      THR  32  -9.989  -0.016  -2.841
  138    H    GLU  33           H        GLU  33  -9.223   0.090   0.265
  139    HA   GLU  33           HA       GLU  33 -12.114   0.273   0.183
  140   1HB   GLU  33          2HB       GLU  33 -11.036  -1.933   0.260
  141   2HB   GLU  33          1HB       GLU  33 -10.295  -1.525   1.801
  142   1HG   GLU  33          2HG       GLU  33 -12.202  -2.950   2.152
  143   2HG   GLU  33          1HG       GLU  33 -12.523  -1.346   2.811
  144    H    THR  34           H        THR  34  -9.556   0.581   2.629
  145    HA   THR  34           HA       THR  34 -11.429   1.804   4.498
  146    HB   THR  34           HB       THR  34  -8.474   1.251   4.864
  147    HG1  THR  34           1HG      THR  34 -10.741  -0.350   5.106
  148   1HG2  THR  34          1HG2      THR  34  -8.997   1.438   7.264
  149   2HG2  THR  34          2HG2      THR  34 -10.656   1.882   6.857
  150   3HG2  THR  34          3HG2      THR  34  -9.323   2.942   6.399
  151    H    LYS  35           H        LYS  35  -9.145   2.670   2.140
  152    HA   LYS  35           HA       LYS  35  -8.493   4.672   1.287
  153   1HB   LYS  35          2HB       LYS  35 -10.256   5.948   3.389
  154   2HB   LYS  35          1HB       LYS  35  -9.609   6.726   1.953
  155   1HG   LYS  35          2HG       LYS  35 -11.500   4.390   1.873
  156   2HG   LYS  35          1HG       LYS  35 -12.015   6.077   1.818
  157   1HD   LYS  35          2HD       LYS  35 -10.665   6.407  -0.207
  158   2HD   LYS  35          1HD       LYS  35 -10.186   4.709  -0.155
  159   1HE   LYS  35          2HE       LYS  35 -12.016   5.117  -1.748
  160   2HE   LYS  35          1HE       LYS  35 -12.486   4.017  -0.453
  161   1HZ   LYS  35          1HZ       LYS  35 -13.143   6.910  -0.597
  162   2HZ   LYS  35          2HZ       LYS  35 -13.578   5.869   0.663
  163   3HZ   LYS  35          3HZ       LYS  35 -14.216   5.635  -0.887
  164    H    GLN  36           H        GLN  36  -6.556   3.710   2.480
  165    HA   GLN  36           HA       GLN  36  -5.278   5.882   3.878
  166   1HB   GLN  36          2HB       GLN  36  -4.660   4.516   5.846
  167   2HB   GLN  36          1HB       GLN  36  -6.393   4.808   5.744
  168   1HG   GLN  36          2HG       GLN  36  -6.772   2.598   4.892
  169   2HG   GLN  36          1HG       GLN  36  -5.035   2.294   4.801
  170   1HE2  GLN  36          1HE2      GLN  36  -4.491   3.623   7.330
  171   2HE2  GLN  36          2HE2      GLN  36  -5.042   2.556   8.571
  172    H    SER  37           H        SER  37  -2.987   5.376   4.360
  173    HA   SER  37           HA       SER  37  -1.893   3.563   2.328
  174   1HB   SER  37          2HB       SER  37   0.010   5.328   3.603
  175   2HB   SER  37          1HB       SER  37  -0.334   5.116   1.896
  176    HG   SER  37           HG       SER  37  -1.391   6.916   1.975
  177    H    THR  38           H        THR  38  -0.237   2.094   2.879
  178    HA   THR  38           HA       THR  38   0.357   1.800   5.726
  179    HB   THR  38           HB       THR  38  -1.653   0.399   5.203
  180    HG1  THR  38           1HG      THR  38  -0.435  -1.630   5.982
  181   1HG2  THR  38          1HG2      THR  38   0.315  -1.152   3.510
  182   2HG2  THR  38          2HG2      THR  38  -1.059  -0.222   2.909
  183   3HG2  THR  38          3HG2      THR  38  -1.329  -1.653   3.905
  184    H    TRP  39           H        TRP  39   2.126   0.392   6.196
  185    HA   TRP  39           HA       TRP  39   4.097   0.262   4.010
  186   1HB   TRP  39          2HB       TRP  39   4.356   0.359   7.016
  187   2HB   TRP  39          1HB       TRP  39   5.702  -0.091   5.980
  188    HD1  TRP  39           HD       TRP  39   3.974   2.887   7.414
  189    HE1  TRP  39           1HE      TRP  39   5.052   5.044   6.503
  190    HE3  TRP  39           3HE      TRP  39   6.792   0.849   3.679
  191    HZ2  TRP  39           2HZ      TRP  39   6.864   5.775   4.448
  192    HZ3  TRP  39           3HZ      TRP  39   8.167   2.337   2.293
  193    HH2  TRP  39           HH       TRP  39   8.207   4.744   2.678
  194    H    GLU  40           H        GLU  40   5.498  -1.610   3.913
  195    HA   GLU  40           HA       GLU  40   5.923  -3.835   3.786
  196   1HB   GLU  40          2HB       GLU  40   6.046  -3.715   6.224
  197   2HB   GLU  40          1HB       GLU  40   4.307  -3.947   6.337
  198   1HG   GLU  40          2HG       GLU  40   4.515  -6.171   5.401
  199   2HG   GLU  40          1HG       GLU  40   6.252  -5.943   5.202
  200    H    LYS  41           H        LYS  41   5.104  -5.553   2.717
  201    HA   LYS  41           HA       LYS  41   2.626  -5.355   1.461
  202   1HB   LYS  41          2HB       LYS  41   3.014  -7.673   0.711
  203   2HB   LYS  41          1HB       LYS  41   4.437  -6.659   0.513
  204   1HG   LYS  41          2HG       LYS  41   5.449  -7.632   2.479
  205   2HG   LYS  41          1HG       LYS  41   3.994  -8.580   2.789
  206   1HD   LYS  41          2HD       LYS  41   4.312  -9.723   0.627
  207   2HD   LYS  41          1HD       LYS  41   5.803  -8.812   0.386
  208   1HE   LYS  41          2HE       LYS  41   5.240 -10.740   2.636
  209   2HE   LYS  41          1HE       LYS  41   6.260 -11.056   1.233
  210   1HZ   LYS  41          1HZ       LYS  41   6.756  -8.983   3.302
  211   2HZ   LYS  41          2HZ       LYS  41   7.732  -9.275   1.951
  212   3HZ   LYS  41          3HZ       LYS  41   7.581 -10.454   3.155
  213    HA   PRO  42           HA       PRO  42   0.002  -6.911   4.738
  214   1HB   PRO  42          2HB       PRO  42  -2.352  -6.699   3.475
  215   2HB   PRO  42          1HB       PRO  42  -1.456  -5.267   3.998
  216   1HG   PRO  42          2HG       PRO  42  -1.620  -6.508   1.277
  217   2HG   PRO  42          1HG       PRO  42  -1.709  -4.796   1.731
  218   1HD   PRO  42          2HD       PRO  42   0.561  -5.998   0.785
  219   2HD   PRO  42          1HD       PRO  42   0.569  -4.586   1.861
  220    HA   PRO   5           HA       PRO   5  -1.629   7.872  -7.365
  221   1HB   PRO   5          2HB       PRO   5   0.367   9.634  -6.253
  222   2HB   PRO   5          1HB       PRO   5   0.505   8.567  -7.649
  223   1HG   PRO   5          2HG       PRO   5   0.520  11.305  -7.801
  224   2HG   PRO   5          1HG       PRO   5   0.029  10.239  -9.128
  225   1HD   PRO   5          2HD       PRO   5  -1.665  11.773  -7.197
  226   2HD   PRO   5          1HD       PRO   5  -1.910  11.483  -8.934
  227    HA   PRO   6           HA       PRO   6  -2.882   8.059  -3.096
  228   1HB   PRO   6          2HB       PRO   6  -1.302   5.683  -2.553
  229   2HB   PRO   6          1HB       PRO   6  -3.054   5.850  -2.666
  230   1HG   PRO   6          2HG       PRO   6  -1.601   4.481  -4.491
  231   2HG   PRO   6          1HG       PRO   6  -3.097   5.339  -4.900
  232   1HD   PRO   6          2HD       PRO   6  -0.251   6.225  -5.283
  233   2HD   PRO   6          1HD       PRO   6  -1.621   6.328  -6.414
  234    HA   PRO   7           HA       PRO   7   0.556   9.827  -0.929
  235   1HB   PRO   7          2HB       PRO   7  -0.497  10.059   1.524
  236   2HB   PRO   7          1HB       PRO   7  -1.096  11.022   0.168
  237   1HG   PRO   7          2HG       PRO   7  -2.256   8.563   1.405
  238   2HG   PRO   7          1HG       PRO   7  -3.079  10.019   0.821
  239   1HD   PRO   7          2HD       PRO   7  -2.879   7.653  -0.588
  240   2HD   PRO   7          1HD       PRO   7  -3.164   9.245  -1.324
  241    H    LEU   8           H        LEU   8   2.259   9.269   0.414
  242    HA   LEU   8           HA       LEU   8   2.547   6.467   0.987
  243   1HB   LEU   8          2HB       LEU   8   4.415   7.786   0.135
  244   2HB   LEU   8          1HB       LEU   8   4.333   8.848   1.529
  245    HG   LEU   8           HG       LEU   8   4.830   6.686   2.888
  246   1HD1  LEU   8          1HD1      LEU   8   4.483   5.278   0.811
  247   2HD1  LEU   8          2HD1      LEU   8   5.933   4.951   1.754
  248   3HD1  LEU   8          3HD1      LEU   8   6.046   5.884   0.263
  249   1HD2  LEU   8          1HD2      LEU   8   6.347   8.587   2.699
  250   2HD2  LEU   8          2HD2      LEU   8   6.920   7.986   1.144
  251   3HD2  LEU   8          3HD2      LEU   8   7.231   7.063   2.615
  252    HA   PRO   9           HA       PRO   9   1.250   6.725   5.232
  253   1HB   PRO   9          2HB       PRO   9   2.685   4.364   5.977
  254   2HB   PRO   9          1HB       PRO   9   0.971   4.520   5.603
  255   1HG   PRO   9          2HG       PRO   9   2.824   3.150   4.067
  256   2HG   PRO   9          1HG       PRO   9   1.251   3.728   3.498
  257   1HD   PRO   9          2HD       PRO   9   3.959   4.886   3.090
  258   2HD   PRO   9          1HD       PRO   9   2.551   4.889   2.010
  259    HA   PRO  10           HA       PRO  10   4.696   8.449   7.438
  260   1HB   PRO  10          2HB       PRO  10   3.642   8.660   9.907
  261   2HB   PRO  10          1HB       PRO  10   3.101   9.681   8.570
  262   1HG   PRO  10          2HG       PRO  10   1.834   7.217   9.704
  263   2HG   PRO  10          1HG       PRO  10   1.072   8.737   9.203
  264   1HD   PRO  10          2HD       PRO  10   1.112   6.486   7.654
  265   2HD   PRO  10          1HD       PRO  10   1.033   8.129   6.992