*HEADER    TOXIN                                   16-NOV-04   1WT7              
*TITLE     SOLUTION STRUCTURE OF BUTX-MTX: A BUTANTOXIN-MAUROTOXIN               
*TITLE    2 CHIMERA                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BUTX-MTX;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BUTANTOXIN-MAUROTOXIN;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: BUTANTOXIN-MAUROTOXIN CHIMERA (BUTANTOXIN:            
*SOURCE   4 TOXIN FROM THE BRAZILIAN SCORPION TITYUS SERRULATUS,                 
*SOURCE   5 MAUROTOXIN: TOXIN FROM THE SCORPION S. MAURUS PALMATUS)              
*KEYWDS    MAUROTOXIN, BUTANTOXIN, SCORPION TOXIN, K+ CHANNELS,                  
*KEYWDS   2 MOLECULAR CONTACTS, TOXIN AFFINITY                                   
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    S.M'BAREK, B.CHAGOT, N.ANDREOTTI, V.VISAN, P.MANSUELLE,               
*AUTHOR   2 S.GRISSMER, M.MARRAKCHI, M.EL AYEB, F.SAMPIERI, H.DARBON,            
*AUTHOR   3 Z.FAJLOUN, M.DE WAARD, J.-M.SABATIER                                 
*REVDAT   1   30-NOV-04 1WT7    0                                                

 ASSI {    2}
    (( segid "    " and resid 40   and name HA2 ))
    (( segid "    " and resid 40   and name HN  ))
       3.100     1.200     1.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.39178E-02 ppm1      4.096 ppm2      9.417 CV     1
  ASSI {    3}
    (( segid "    " and resid 40   and name HA1 ))
    (( segid "    " and resid 40   and name HN  ))
       2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.88969E-02 ppm1      3.696 ppm2      9.417 CV     1
  ASSI {    4}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.200     0.600     0.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.13270E-01 ppm1      4.165 ppm2      9.318 CV     1
  ASSI {    5}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
       4.500     2.600     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.39925E-03 ppm1      2.893 ppm2      9.318 CV     1
  ASSI {    6}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       3.400     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.13100E-02 ppm1      2.579 ppm2      9.318 CV     1
  ASSI {    7}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HA  ))
       3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.26022E-02 ppm1      2.893 ppm2      4.165 CV     1
  ASSI {    9}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HB3 ))
       1.700     0.300     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.39654E-01 ppm1      2.579 ppm2      2.893 CV     1
  ASSI {   10}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.900     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.31042E-02 ppm1      4.276 ppm2      9.005 CV     1
  ASSI {   11}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 11   and name HN  ))
       3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.18938E-02 ppm1      4.086 ppm2      9.004 CV     1
  ASSI {   12}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 11   and name HN  ))
       3.500     1.500     1.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.16691E-02 ppm1      1.034 ppm2      9.005 CV     1
  ASSI {   16}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.600     0.900     0.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.55363E-02 ppm1      4.247 ppm2      8.981 CV     1
  ASSI {   17}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 18   and name HN  ))
       2.300     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10262E-01 ppm1      1.334 ppm2      8.981 CV     1
  ASSI {   23}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.33994E-02 ppm1      1.552 ppm2      8.955 CV     1
  ASSI {   25}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 37   and name HN  ))
       5.800     4.200     0.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.68982E-04 ppm1      0.794 ppm2      8.954 CV     1
  OR {   25}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {   28}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HA  ))
       6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.554 ppm2      4.373 CV     1
  ASSI {   30}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HB3 ))
       6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      1.556 CV     1
  ASSI {   32}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.900     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.36034E-02 ppm1      4.362 ppm2      8.746 CV     1
  ASSI {   33}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       3.100     1.200     1.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.21008E-02 ppm1      3.047 ppm2      8.746 CV     1
  ASSI {   34}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.81715E-02 ppm1      2.675 ppm2      8.746 CV     1
  ASSI {   38}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21683E-02 ppm1      3.936 ppm2      8.692 CV     1
  ASSI {   39}
    (( segid "    " and resid 3    and name HB3 ))
    (( segid "    " and resid 3    and name HN  ))
       3.600     1.700     1.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.93021E-03 ppm1      3.799 ppm2      8.692 CV     1
  ASSI {   40}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       3.600     1.600     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      3.617 ppm2      8.697 CV     1
  ASSI {   44}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.28795E-02 ppm1      4.512 ppm2      8.697 CV     1
  ASSI {   46}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      2.365 ppm2      8.697 CV     1
  ASSI {   49}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HB3 ))
       1.700     0.300     0.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.35907E-01 ppm1      2.365 ppm2      2.659 CV     1
  ASSI {   53}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.000     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.20154E-02 ppm1      4.129 ppm2      8.676 CV     1
  ASSI {   55}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 32   and name HN  ))
       3.200     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.16833E-02 ppm1      0.698 ppm2      8.676 CV     1
  ASSI {   56}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 32   and name HA  ))
       3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.21171E-02 ppm1      0.698 ppm2      4.129 CV     1
  ASSI {   65}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.30452E-02 ppm1      3.427 ppm2      8.646 CV     1
  ASSI {   67}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HN  ))
       4.600     2.600     1.400 peak    67 spectrum    1 weight  0.10000E+01 volume  0.71969E-03 ppm1      1.247 ppm2      8.646 CV     1
  ASSI {   68}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.53252E-03 ppm1      0.799 ppm2      8.676 CV     1
  OR {   68}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {   70}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.62098E-02 ppm1      1.795 ppm2      8.646 CV     1
  ASSI {   74}
    (  segid "    " and resid 8    and name HD1%)
    (  segid "    " and resid 11   and name HG2%)
       2.800     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.93875E-02 ppm1      0.701 ppm2      1.034 CV     1
  ASSI {   75}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HG3 ))
       6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.035 ppm2      1.238 CV     1
  ASSI {   77}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HN  ))
       5.200     3.400     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.30800E-03 ppm1      1.034 ppm2      8.647 CV     1
  ASSI {   82}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.58052E-02 ppm1      4.472 ppm2      8.354 CV     1
  ASSI {   83}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.000     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.28411E-02 ppm1      2.714 ppm2      8.354 CV     1
  ASSI {   88}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.100     0.500     0.500 peak    88 spectrum    1 weight  0.10000E+01 volume  0.21932E-01 ppm1      3.764 ppm2      8.356 CV     1
  ASSI {   89}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       4.100     2.100     1.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.68562E-03 ppm1      2.091 ppm2      8.356 CV     1
  ASSI {   90}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 34   and name HN  ))
       4.600     2.600     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.39043E-03 ppm1      1.569 ppm2      8.362 CV     1
  ASSI {   91}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.600     1.600     1.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.13619E-02 ppm1      1.209 ppm2      8.356 CV     1
  OR {   91}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {   94}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 34   and name HZ% )
       6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      7.379 CV     1
  ASSI {  107}
    (( segid "    " and resid 2    and name HB2 ))
    (( segid "    " and resid 2    and name HB3 ))
       1.800     0.400     0.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.27117E-01 ppm1      2.975 ppm2      3.234 CV     1
  ASSI {  108}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.900     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.25367E-02 ppm1      4.917 ppm2      8.149 CV     1
  ASSI {  109}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.30438E-02 ppm1      3.570 ppm2      8.149 CV     1
  ASSI {  110}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.40963E-02 ppm1      1.940 ppm2      8.149 CV     1
  ASSI {  113}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HB3 ))
       1.800     0.400     0.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.24905E-01 ppm1      1.940 ppm2      3.570 CV     1
  ASSI {  114}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.100     0.500     0.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.20062E-01 ppm1      4.176 ppm2      8.107 CV     1
  ASSI {  120}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.71614E-02 ppm1      4.493 ppm2      8.115 CV     1
  ASSI {  122}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.100     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.11884E-01 ppm1      2.884 ppm2      8.115 CV     1
  ASSI {  125}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HB3 ))
       1.700     0.300     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.30224E-01 ppm1      2.884 ppm2      3.338 CV     1
  ASSI {  126}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.000     1.100     1.100 peak   126 spectrum    1 weight  0.10000E+01 volume  0.26356E-02 ppm1      4.316 ppm2      8.104 CV     1
  ASSI {  127}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.700     1.700     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.28802E-02 ppm1      3.071 ppm2      8.104 CV     1
  ASSI {  128}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.67361E-02 ppm1      2.291 ppm2      8.104 CV     1
  ASSI {  132}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.400     0.700     0.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.89108E-02 ppm1      5.232 ppm2      8.104 CV     1
  ASSI {  133}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 29   and name HN  ))
       2.600     0.800     0.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.61657E-02 ppm1      1.311 ppm2      8.104 CV     1
  ASSI {  135}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.600     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.61956E-02 ppm1      4.250 ppm2      8.041 CV     1
  ASSI {  136}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       2.900     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.33076E-02 ppm1      1.313 ppm2      8.041 CV     1
  OR {  136}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  137}
    (  segid "    " and resid 8    and name HD1%)
    (( segid "    " and resid 9    and name HN  ))
       4.000     2.000     2.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.14642E-02 ppm1      0.712 ppm2      8.027 CV     1
  ASSI {  141}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       3.000     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.23141E-02 ppm1      4.641 ppm2      8.024 CV     1
  ASSI {  142}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 9    and name HN  ))
       2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10624E-01 ppm1      1.250 ppm2      8.024 CV     1
  ASSI {  171}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HG3 ))
       2.300     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.11556E-01 ppm1      2.044 ppm2      2.310 CV     1
  OR {  171}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HG3 ))
  ASSI {  175}
    (( segid "    " and resid 12   and name HA1 ))
    (( segid "    " and resid 12   and name HN  ))
       2.500     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.55897E-02 ppm1      3.789 ppm2      7.716 CV     1
  ASSI {  176}
    (( segid "    " and resid 12   and name HA2 ))
    (( segid "    " and resid 12   and name HN  ))
       3.500     1.600     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.14067E-02 ppm1      4.307 ppm2      7.716 CV     1
  ASSI {  177}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.900     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.23632E-02 ppm1      4.706 ppm2      7.711 CV     1
  ASSI {  178}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HN  ))
       3.100     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.50976E-02 ppm1      3.137 ppm2      7.711 CV     1
  ASSI {  179}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      2.826 ppm2      7.711 CV     1
  ASSI {  180}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HA  ))
       6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.826 ppm2      4.705 CV     1
  ASSI {  181}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HA  ))
       6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.137 ppm2      4.704 CV     1
  ASSI {  183}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.43558E-02 ppm1      5.161 ppm2      7.667 CV     1
  ASSI {  184}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
       3.500     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.13775E-02 ppm1      3.617 ppm2      7.667 CV     1
  ASSI {  185}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.37812E-02 ppm1      3.521 ppm2      7.667 CV     1
  ASSI {  189}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.900     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      4.393 ppm2      7.661 CV     1
  ASSI {  190}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.300     0.700     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.81360E-02 ppm1      2.530 ppm2      7.661 CV     1
  ASSI {  191}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       3.300     1.400     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.35665E-02 ppm1      2.850 ppm2      7.661 CV     1
  ASSI {  198}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31397E-02 ppm1      4.817 ppm2      6.730 CV     1
  ASSI {  199}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       4.100     2.100     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.15866E-02 ppm1      3.067 ppm2      6.730 CV     1
  ASSI {  200}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.400     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.51538E-02 ppm1      2.874 ppm2      6.730 CV     1
  ASSI {  203}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HB3 ))
       1.400     0.200     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.88184E-01 ppm1      2.874 ppm2      3.067 CV     1
  ASSI {  204}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.900     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.29776E-02 ppm1      4.191 ppm2      7.232 CV     1
  ASSI {  205}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       3.500     1.500     1.500 peak   205 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      2.788 ppm2      7.232 CV     1
  ASSI {  206}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.400     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.66650E-02 ppm1      2.656 ppm2      7.232 CV     1
  ASSI {  209}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HB3 ))
       2.100     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.82069E-02 ppm1      2.656 ppm2      2.788 CV     1
  ASSI {  210}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.000     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.29477E-02 ppm1      4.495 ppm2      7.378 CV     1
  ASSI {  211}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HN  ))
       2.800     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.47683E-02 ppm1      3.056 ppm2      7.378 CV     1
  OR {  211}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
  ASSI {  212}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 5    and name HA  ))
       3.600     1.600     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.99921E-03 ppm1      3.057 ppm2      4.488 CV     1
  OR {  212}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HA  ))
  ASSI {  215}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 2    and name HN  ))
       2.900     2.900     3.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.35850E-02 ppm1      2.173 ppm2      8.230 CV     1
  ASSI {  216}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
       6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.173 ppm2      4.535 CV     1
  ASSI {  217}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      4.534 CV     1
  ASSI {  223}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HB3 ))
       1.500     0.300     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.32151E-01 ppm1      1.387 ppm2      1.795 CV     1
  ASSI {  226}
    (  segid "    " and resid 9    and name HB% )
    (  segid "    " and resid 8    and name HD2%)
       6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.248 ppm2      1.407 CV     1
  ASSI {  227}
    (  segid "    " and resid 11   and name HG2%)
    (  segid "    " and resid 8    and name HD2%)
       3.500     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12801E-02 ppm1      1.043 ppm2      1.407 CV     1
  ASSI {  229}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       2.400     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.58294E-02 ppm1      1.387 ppm2      8.646 CV     1
  ASSI {  231}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HE  ))
       4.000     2.000     2.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.38424E-03 ppm1      1.246 ppm2      7.211 CV     1
  ASSI {  232}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HE  ))
       4.200     2.200     1.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.35729E-03 ppm1      1.034 ppm2      7.211 CV     1
  ASSI {  234}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HA  ))
       2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.40686E-02 ppm1      1.387 ppm2      3.427 CV     1
  ASSI {  240}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 37   and name HZ% )
       6.000     4.700     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13789E-03 ppm1      4.387 ppm2      7.324 CV     1
  ASSI {  241}
    (( segid "    " and resid 37   and name HE3 ))
    (  segid "    " and resid 37   and name HZ% )
       3.900     1.900     1.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.47334E-03 ppm1      2.642 ppm2      7.323 CV     1
  ASSI {  242}
    (( segid "    " and resid 37   and name HE3 ))
    (( segid "    " and resid 37   and name HN  ))
       6.000     5.400     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.35771E-04 ppm1      2.642 ppm2      8.955 CV     1
  ASSI {  243}
    (( segid "    " and resid 37   and name HE2 ))
    (  segid "    " and resid 37   and name HZ% )
       3.500     1.500     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.94584E-03 ppm1      2.490 ppm2      7.323 CV     1
  ASSI {  244}
    (( segid "    " and resid 37   and name HE2 ))
    (( segid "    " and resid 37   and name HN  ))
       6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      8.955 CV     1
  ASSI {  245}
    (( segid "    " and resid 32   and name HG12))
    (  segid "    " and resid 37   and name HZ% )
       6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.825 ppm2      7.324 CV     1
  OR {  245}
    (( segid "    " and resid 32   and name HG13))
    (  segid "    " and resid 37   and name HZ% )
  ASSI {  251}
    (( segid "    " and resid 37   and name HE2 ))
    (( segid "    " and resid 37   and name HE3 ))
       2.000     0.500     0.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.10745E-01 ppm1      2.490 ppm2      2.642 CV     1
  ASSI {  252}
    (( segid "    " and resid 37   and name HE3 ))
    (( segid "    " and resid 37   and name HA  ))
       6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      4.375 CV     1
  ASSI {  253}
    (( segid "    " and resid 37   and name HE2 ))
    (( segid "    " and resid 37   and name HA  ))
       6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      4.375 CV     1
  ASSI {  254}
    (( segid "    " and resid 37   and name HD3 ))
    (( segid "    " and resid 37   and name HE2 ))
       2.400     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.92951E-02 ppm1      1.305 ppm2      2.490 CV     1
  OR {  254}
    (( segid "    " and resid 37   and name HD2 ))
    (( segid "    " and resid 37   and name HE2 ))
  ASSI {  255}
    (( segid "    " and resid 37   and name HD2 ))
    (( segid "    " and resid 37   and name HE3 ))
       2.400     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.78226E-02 ppm1      1.305 ppm2      2.642 CV     1
  OR {  255}
    (( segid "    " and resid 37   and name HD3 ))
    (( segid "    " and resid 37   and name HE3 ))
  ASSI {  256}
    (( segid "    " and resid 37   and name HD3 ))
    (  segid "    " and resid 37   and name HZ% )
       3.900     1.900     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.61451E-03 ppm1      1.305 ppm2      7.323 CV     1
  OR {  256}
    (( segid "    " and resid 37   and name HD2 ))
    (  segid "    " and resid 37   and name HZ% )
  ASSI {  262}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.600     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.60960E-02 ppm1      4.178 ppm2      7.070 CV     1
  ASSI {  263}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.44433E-02 ppm1      2.673 ppm2      7.070 CV     1
  ASSI {  265}
    (( segid "    " and resid 34   and name HE2 ))
    (  segid "    " and resid 34   and name HZ% )
       3.100     3.100     2.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.21641E-02 ppm1      2.842 ppm2      7.379 CV     1
  OR {  265}
    (( segid "    " and resid 34   and name HE3 ))
    (  segid "    " and resid 34   and name HZ% )
  ASSI {  266}
    (( segid "    " and resid 34   and name HE3 ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.842 ppm2      3.764 CV     1
  OR {  266}
    (( segid "    " and resid 34   and name HE2 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  268}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HE3 ))
       3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.12374E-02 ppm1      2.003 ppm2      2.842 CV     1
  OR {  268}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HE2 ))
  ASSI {  269}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE3 ))
       4.100     2.100     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.77656E-03 ppm1      2.091 ppm2      2.842 CV     1
  OR {  269}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE2 ))
  ASSI {  270}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HE3 ))
       6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      2.842 CV     1
  OR {  270}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE3 ))
  OR {  270}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE2 ))
  OR {  270}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HE2 ))
  ASSI {  272}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       3.100     1.200     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.21356E-02 ppm1      4.344 ppm2      7.454 CV     1
  ASSI {  273}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 4    and name HN  ))
       3.300     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19799E-02 ppm1      0.993 ppm2      7.454 CV     1
  ASSI {  275}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 39   and name HD% )
       2.900     1.100     1.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.45372E-02 ppm1      4.316 ppm2      6.816 CV     1
  ASSI {  276}
    (( segid "    " and resid 39   and name HB3 ))
    (  segid "    " and resid 39   and name HD% )
       2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.38929E-02 ppm1      3.071 ppm2      6.816 CV     1
  ASSI {  277}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 39   and name HD% )
       2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.48152E-02 ppm1      2.291 ppm2      6.816 CV     1
  ASSI {  278}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 39   and name HE% )
       5.000     3.100     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.48337E-03 ppm1      2.289 ppm2      7.574 CV     1
  ASSI {  279}
    (( segid "    " and resid 39   and name HB3 ))
    (  segid "    " and resid 39   and name HE% )
       5.100     3.200     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.47299E-03 ppm1      3.072 ppm2      7.574 CV     1
  ASSI {  285}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HD2 ))
       2.600     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.40223E-02 ppm1      1.596 ppm2      3.180 CV     1
  OR {  285}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HD2 ))
  ASSI {  286}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HD2 ))
       3.200     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.61146E-02 ppm1      1.757 ppm2      3.180 CV     1
  OR {  286}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HD2 ))
  ASSI {  289}
    (( segid "    " and resid 27   and name HD2 ))
    (( segid "    " and resid 27   and name HA  ))
       6.000     4.500     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.180 ppm2      4.382 CV     1
  ASSI {  290}
    (( segid "    " and resid 27   and name HD3 ))
    (( segid "    " and resid 27   and name HA  ))
       6.000     6.000     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.11663E-04 ppm1      3.628 ppm2      4.382 CV     1
  ASSI {  298}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HG2 ))
       2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.47114E-02 ppm1      1.610 ppm2      1.977 CV     1
  ASSI {  301}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       3.200     1.300     1.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.17203E-02 ppm1      4.580 ppm2      8.202 CV     1
  ASSI {  302}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 24   and name HN  ))
       3.500     1.600     1.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      4.229 ppm2      8.202 CV     1
  ASSI {  304}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.47363E-02 ppm1      4.559 ppm2      8.089 CV     1
  ASSI {  305}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HN  ))
       2.200     0.600     0.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.10255E-01 ppm1      3.600 ppm2      8.089 CV     1
  ASSI {  309}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.57575E-02 ppm1      1.583 ppm2      8.223 CV     1
  ASSI {  310}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.900     1.900     1.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      1.431 ppm2      8.224 CV     1
  OR {  310}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  311}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 30   and name HN  ))
       2.600     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.64317E-02 ppm1      1.312 ppm2      8.223 CV     1
  ASSI {  315}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.27216E-02 ppm1      1.682 ppm2      8.223 CV     1
  ASSI {  319}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HB2 ))
       6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      1.582 CV     1
  OR {  319}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI {  321}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HB3 ))
       6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      1.689 CV     1
  ASSI {  324}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.45763E-02 ppm1      0.988 ppm2      8.202 CV     1
  ASSI {  325}
    (( segid "    " and resid 40   and name HA2 ))
    (( segid "    " and resid 41   and name HN  ))
       2.700     0.900     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.92027E-02 ppm1      4.096 ppm2      8.746 CV     1
  ASSI {  326}
    (( segid "    " and resid 40   and name HA1 ))
    (( segid "    " and resid 41   and name HN  ))
       2.600     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.50379E-02 ppm1      3.696 ppm2      8.746 CV     1
  ASSI {  327}
    (  segid "    " and resid 39   and name HD% )
    (( segid "    " and resid 39   and name HN  ))
       2.900     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24478E-02 ppm1      6.816 ppm2      8.104 CV     1
  ASSI {  328}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.500     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.92666E-03 ppm1      4.317 ppm2      9.413 CV     1
  ASSI {  329}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
       4.100     2.100     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.64779E-03 ppm1      2.292 ppm2      9.413 CV     1
  ASSI {  330}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
       4.500     2.600     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.47626E-03 ppm1      3.072 ppm2      9.413 CV     1
  ASSI {  331}
    (  segid "    " and resid 39   and name HD% )
    (( segid "    " and resid 40   and name HN  ))
       3.800     1.800     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26775E-03 ppm1      6.817 ppm2      9.413 CV     1
  ASSI {  332}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
       2.600     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.52711E-02 ppm1      8.104 ppm2      9.413 CV     1
  ASSI {  340}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       4.300     2.300     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.10397E-02 ppm1      2.622 ppm2      8.104 CV     1
  ASSI {  341}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       4.200     2.200     1.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.90102E-03 ppm1      2.673 ppm2      8.104 CV     1
  ASSI {  343}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.800     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.25694E-02 ppm1      2.622 ppm2      7.070 CV     1
  ASSI {  346}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.300     1.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14600E-02 ppm1      4.375 ppm2      7.071 CV     1
  ASSI {  347}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.900     1.900     1.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.14565E-02 ppm1      2.365 ppm2      8.956 CV     1
  ASSI {  348}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       6.000     6.000     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.29869E-04 ppm1      2.659 ppm2      8.956 CV     1
  ASSI {  349}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.000     0.500     0.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20282E-01 ppm1      4.512 ppm2      8.956 CV     1
  ASSI {  350}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.200     0.600     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.12744E-01 ppm1      5.161 ppm2      8.697 CV     1
  ASSI {  351}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HN  ))
       3.200     1.200     1.200 peak   351 spectrum    1 weight  0.10000E+01 volume  0.18284E-02 ppm1      3.614 ppm2      8.692 CV     1
  ASSI {  352}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       4.100     2.100     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.78511E-03 ppm1      3.521 ppm2      8.697 CV     1
  ASSI {  354}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       3.900     1.900     1.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.75881E-03 ppm1      2.003 ppm2      8.356 CV     1
  ASSI {  355}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 34   and name HZ% )
       6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      7.379 CV     1
  ASSI {  358}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       4.700     2.700     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.28212E-03 ppm1      2.003 ppm2      7.668 CV     1
  ASSI {  359}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
       4.700     2.800     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.25090E-03 ppm1      2.091 ppm2      7.668 CV     1
  ASSI {  360}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.29591E-02 ppm1      7.662 ppm2      8.356 CV     1
  ASSI {  364}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400     0.700     0.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.54518E-02 ppm1      2.874 ppm2      8.980 CV     1
  ASSI {  365}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 18   and name HN  ))
       3.600     1.600     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.14927E-02 ppm1      3.068 ppm2      8.979 CV     1
  ASSI {  366}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       3.900     1.900     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.61529E-03 ppm1      4.817 ppm2      8.980 CV     1
  ASSI {  367}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.29926E-02 ppm1      6.730 ppm2      8.980 CV     1
  ASSI {  368}
    (  segid "    " and resid 17   and name HD% )
    (( segid "    " and resid 18   and name HN  ))
       5.000     3.100     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.45343E-03 ppm1      7.082 ppm2      8.980 CV     1
  ASSI {  369}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   369 spectrum    1 weight  0.10000E+01 volume  0.14308E-02 ppm1      2.530 ppm2      6.731 CV     1
  ASSI {  370}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.200     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      2.850 ppm2      6.731 CV     1
  ASSI {  371}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.98496E-03 ppm1      4.394 ppm2      6.731 CV     1
  ASSI {  372}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       2.200     0.600     0.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.10298E-01 ppm1      6.731 ppm2      7.662 CV     1
  ASSI {  373}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       4.100     2.100     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.70938E-03 ppm1      2.659 ppm2      7.661 CV     1
  ASSI {  375}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.600     1.600     1.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10596E-02 ppm1      4.192 ppm2      7.662 CV     1
  ASSI {  376}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.56779E-02 ppm1      7.233 ppm2      7.662 CV     1
  ASSI {  377}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       4.100     2.100     1.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.60029E-03 ppm1      4.493 ppm2      8.646 CV     1
  ASSI {  378}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.400     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.22636E-02 ppm1      2.884 ppm2      8.646 CV     1
  ASSI {  379}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.40394E-03 ppm1      3.338 ppm2      8.646 CV     1
  ASSI {  380}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.60882E-02 ppm1      8.115 ppm2      8.646 CV     1
  ASSI {  385}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.44924E-02 ppm1      7.856 ppm2      8.645 CV     1
  ASSI {  390}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       3.600     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.87683E-03 ppm1      4.047 ppm2      8.202 CV     1
  ASSI {  391}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       2.900     1.000     1.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.39782E-02 ppm1      2.044 ppm2      8.202 CV     1
  OR {  391}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  394}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       2.800     1.000     1.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.23838E-02 ppm1      3.427 ppm2      8.090 CV     1
  ASSI {  395}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.600     0.800     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.43430E-02 ppm1      3.427 ppm2      8.147 CV     1
  ASSI {  396}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       4.300     2.300     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.85550E-03 ppm1      3.427 ppm2      8.201 CV     1
  ASSI {  397}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.100     2.100     3.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.19457E-01 ppm1      4.165 ppm2      8.357 CV     1
  ASSI {  398}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       3.000     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.29385E-02 ppm1      8.356 ppm2      9.318 CV     1
  ASSI {  399}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.900     3.000     1.100 peak   399 spectrum    1 weight  0.10000E+01 volume  0.29783E-03 ppm1      8.676 ppm2      9.318 CV     1
  ASSI {  400}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 39   and name HD% )
       2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.36632E-02 ppm1      5.237 ppm2      6.815 CV     1
  ASSI {  401}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.600     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.45849E-02 ppm1      2.825 ppm2      8.378 CV     1
  ASSI {  403}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       3.500     1.500     1.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.38403E-02 ppm1      1.498 ppm2      8.378 CV     1
  ASSI {  404}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.54930E-02 ppm1      1.158 ppm2      8.378 CV     1
  OR {  404}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 14   and name HN  ))
  ASSI {  405}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 14   and name HA  ))
       3.100     1.200     1.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.45841E-02 ppm1      1.159 ppm2      2.824 CV     1
  OR {  405}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 14   and name HA  ))
  ASSI {  408}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HB3 ))
       6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      1.578 CV     1
  ASSI {  409}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 14   and name HB3 ))
       6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.158 ppm2      1.578 CV     1
  OR {  409}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 14   and name HB3 ))
  ASSI {  410}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 14   and name HB2 ))
       6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.158 ppm2      1.497 CV     1
  OR {  410}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 14   and name HB2 ))
  ASSI {  411}
    (( segid "    " and resid 1    and name HB2 ))
    (( segid "    " and resid 1    and name HD1 ))
       3.200     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.21029E-02 ppm1      3.215 ppm2      7.148 CV     1
  OR {  411}
    (( segid "    " and resid 1    and name HB3 ))
    (( segid "    " and resid 1    and name HD1 ))
  ASSI {  412}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 1    and name HD1 ))
       6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      7.148 CV     1
  ASSI {  414}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.200     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.12900E-01 ppm1      5.235 ppm2      8.223 CV     1
  ASSI {  418}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.55406E-02 ppm1      1.252 ppm2      7.708 CV     1
  ASSI {  419}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.100     0.500     0.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.15994E-01 ppm1      4.638 ppm2      7.708 CV     1
  ASSI {  420}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 11   and name HN  ))
       2.100     2.100     3.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17025E-01 ppm1      7.713 ppm2      9.002 CV     1
  ASSI {  421}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
       3.100     3.100     2.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.37535E-02 ppm1      3.139 ppm2      9.002 CV     1
  ASSI {  422}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.400     2.500     1.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.56651E-03 ppm1      2.822 ppm2      9.002 CV     1
  ASSI {  423}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       3.000     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.30366E-02 ppm1      4.274 ppm2      7.716 CV     1
  ASSI {  424}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 12   and name HN  ))
       3.800     1.800     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.79219E-03 ppm1      4.084 ppm2      7.716 CV     1
  ASSI {  425}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 12   and name HN  ))
       4.400     2.500     1.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.49532E-03 ppm1      1.030 ppm2      7.716 CV     1
  ASSI {  426}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.83278E-03 ppm1      2.656 ppm2      9.007 CV     1
  ASSI {  427}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
       4.300     2.300     1.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.38196E-03 ppm1      2.794 ppm2      9.006 CV     1
  ASSI {  428}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       3.700     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1      2.651 ppm2      7.716 CV     1
  ASSI {  429}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       3.600     1.600     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.11976E-02 ppm1      2.789 ppm2      7.716 CV     1
  ASSI {  433}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       3.500     1.500     1.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.19130E-02 ppm1      1.235 ppm2      8.676 CV     1
  ASSI {  434}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HB  ))
       6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.235 ppm2      1.554 CV     1
  ASSI {  435}
    (( segid "    " and resid 32   and name HG12))
    (  segid "    " and resid 32   and name HG2%)
       2.100     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.23717E-01 ppm1      0.799 ppm2      1.235 CV     1
  OR {  435}
    (( segid "    " and resid 32   and name HG13))
    (  segid "    " and resid 32   and name HG2%)
  ASSI {  436}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 38   and name HN  ))
       6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      8.641 CV     1
  ASSI {  438}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 33   and name HN  ))
       4.200     2.300     1.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.29655E-03 ppm1      1.554 ppm2      9.318 CV     1
  ASSI {  439}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       5.200     3.300     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.19500E-03 ppm1      1.235 ppm2      9.318 CV     1
  ASSI {  440}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 33   and name HN  ))
       6.000     4.900     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.95508E-04 ppm1      0.799 ppm2      9.318 CV     1
  OR {  440}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  441}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 33   and name HN  ))
       3.200     1.300     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.35700E-02 ppm1      0.698 ppm2      9.318 CV     1
  ASSI {  442}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.100     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.20467E-01 ppm1      4.129 ppm2      9.318 CV     1
  ASSI {  443}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.700     2.700     1.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.28105E-03 ppm1      7.661 ppm2      9.318 CV     1
  ASSI {  444}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.30921E-02 ppm1      7.663 ppm2      8.676 CV     1
  ASSI {  445}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.000     1.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.28681E-02 ppm1      8.223 ppm2      8.955 CV     1
  ASSI {  448}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.13171E-02 ppm1      4.515 ppm2      8.677 CV     1
  ASSI {  450}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       5.000     3.100     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24400E-03 ppm1      2.713 ppm2      8.041 CV     1
  ASSI {  451}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       4.800     2.900     1.200 peak   451 spectrum    1 weight  0.10000E+01 volume  0.31924E-03 ppm1      2.517 ppm2      8.041 CV     1
  ASSI {  452}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.400     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10788E-01 ppm1      4.472 ppm2      8.041 CV     1
  ASSI {  454}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       2.200     0.600     0.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.12829E-01 ppm1      4.254 ppm2      8.025 CV     1
  ASSI {  455}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       2.400     0.700     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.89177E-02 ppm1      4.377 ppm2      8.692 CV     1
  ASSI {  456}
    (( segid "    " and resid 2    and name HB2 ))
    (( segid "    " and resid 3    and name HN  ))
       5.000     3.200     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.29641E-03 ppm1      2.975 ppm2      8.692 CV     1
  ASSI {  457}
    (( segid "    " and resid 2    and name HB3 ))
    (( segid "    " and resid 3    and name HN  ))
       4.000     2.000     2.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13533E-02 ppm1      3.234 ppm2      8.692 CV     1
  ASSI {  458}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       3.900     1.900     1.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.79150E-03 ppm1      3.938 ppm2      7.454 CV     1
  ASSI {  459}
    (( segid "    " and resid 3    and name HB3 ))
    (( segid "    " and resid 4    and name HN  ))
       6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      7.454 CV     1
  ASSI {  460}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
       6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.609 ppm2      7.454 CV     1
  ASSI {  462}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HN  ))
       2.900     1.100     1.100 peak   462 spectrum    1 weight  0.10000E+01 volume  0.27742E-02 ppm1      7.455 ppm2      8.692 CV     1
  ASSI {  463}
    (( segid "    " and resid 1    and name HD1 ))
    (( segid "    " and resid 1    and name HE1 ))
       2.900     1.100     1.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.36938E-02 ppm1      7.149 ppm2     10.135 CV     1
  ASSI {  464}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.22928E-02 ppm1      4.562 ppm2      8.149 CV     1
  ASSI {  465}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 26   and name HN  ))
       3.300     1.400     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.25666E-02 ppm1      3.604 ppm2      8.149 CV     1
  ASSI {  468}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       3.800     1.800     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.70910E-03 ppm1      2.834 ppm2      7.233 CV     1
  ASSI {  469}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       4.800     2.900     1.200 peak   469 spectrum    1 weight  0.10000E+01 volume  0.38282E-03 ppm1      1.584 ppm2      7.233 CV     1
  ASSI {  470}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       4.200     2.200     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.65583E-03 ppm1      1.497 ppm2      7.233 CV     1
  ASSI {  471}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 15   and name HN  ))
       3.100     1.200     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      1.164 ppm2      7.230 CV     1
  OR {  471}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  472}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.32948E-02 ppm1      7.230 ppm2      8.379 CV     1
  ASSI {  475}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.300     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.16229E-02 ppm1      4.341 ppm2      7.378 CV     1
  ASSI {  483}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 20   and name HN  ))
       5.200     3.400     0.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.15205E-03 ppm1      1.976 ppm2      8.116 CV     1
  ASSI {  484}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 20   and name HN  ))
       3.600     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      2.100 ppm2      8.117 CV     1
  ASSI {  485}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.400     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.49141E-02 ppm1      1.611 ppm2      8.116 CV     1
  ASSI {  486}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       4.400     2.400     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.92520E-03 ppm1      1.611 ppm2      8.979 CV     1
  ASSI {  488}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HB3 ))
       1.800     0.400     0.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.44191E-01 ppm1      1.596 ppm2      1.757 CV     1
  OR {  488}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HB2 ))
  OR {  488}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HB3 ))
  OR {  488}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HB2 ))
  ASSI {  489}
    (( segid "    " and resid 27   and name HD3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.600     1.600     1.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.30231E-02 ppm1      3.630 ppm2      7.071 CV     1
  ASSI {  490}
    (( segid "    " and resid 27   and name HD2 ))
    (( segid "    " and resid 28   and name HN  ))
       6.000     4.500     0.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.180 ppm2      7.071 CV     1
  ASSI {  491}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       4.000     2.000     2.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.73391E-03 ppm1      1.759 ppm2      7.073 CV     1
  OR {  491}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI {  492}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 28   and name HN  ))
       2.700     0.900     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.56722E-02 ppm1      1.598 ppm2      7.072 CV     1
  OR {  492}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI {  493}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 10   and name HB3 ))
       3.400     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17808E-02 ppm1      2.167 ppm2      3.140 CV     1
  ASSI {  494}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 10   and name HB3 ))
       2.700     2.700     3.300 peak   494 spectrum    1 weight  0.10000E+01 volume  0.84341E-02 ppm1      2.651 ppm2      3.140 CV     1
  ASSI {  495}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 39   and name HE% )
       4.700     2.700     1.300 peak   495 spectrum    1 weight  0.10000E+01 volume  0.30402E-03 ppm1      4.180 ppm2      7.572 CV     1
  ASSI {  496}
    (( segid "    " and resid 28   and name HB3 ))
    (  segid "    " and resid 39   and name HE% )
       3.600     1.600     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.91172E-03 ppm1      2.674 ppm2      7.573 CV     1
  ASSI {  497}
    (( segid "    " and resid 28   and name HB2 ))
    (  segid "    " and resid 39   and name HE% )
       3.400     1.400     1.400 peak   497 spectrum    1 weight  0.10000E+01 volume  0.31938E-02 ppm1      2.623 ppm2      7.571 CV     1
  ASSI {  498}
    (  segid "    " and resid 39   and name HD% )
    (  segid "    " and resid 39   and name HE% )
       1.800     0.400     0.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.51737E-01 ppm1      6.809 ppm2      7.573 CV     1
  ASSI {  499}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 39   and name HD% )
       4.700     2.700     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.32472E-03 ppm1      4.181 ppm2      6.816 CV     1
  ASSI {  501}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       3.700     1.700     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.75383E-03 ppm1      3.551 ppm2      8.379 CV     1
  ASSI {  503}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.82354E-02 ppm1      3.761 ppm2      8.975 CV     1
  OR {  503}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI {  506}
    (( segid "    " and resid 12   and name HA1 ))
    (( segid "    " and resid 13   and name HN  ))
       2.500     0.800     0.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.44653E-02 ppm1      3.790 ppm2      8.975 CV     1
  ASSI {  507}
    (( segid "    " and resid 12   and name HA2 ))
    (( segid "    " and resid 13   and name HN  ))
       3.300     1.400     1.400 peak   507 spectrum    1 weight  0.10000E+01 volume  0.55648E-02 ppm1      4.308 ppm2      8.975 CV     1
  ASSI {  509}
    (( segid "    " and resid 23   and name HG3 ))
    (( segid "    " and resid 1    and name HD1 ))
       3.600     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      2.311 ppm2      7.158 CV     1
  ASSI {  510}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 1    and name HD1 ))
       3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.76378E-03 ppm1      2.205 ppm2      7.158 CV     1
  ASSI {  511}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20709E-02 ppm1      3.571 ppm2      7.068 CV     1
  ASSI {  512}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.800     1.800     1.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.72254E-03 ppm1      1.943 ppm2      7.070 CV     1
  ASSI {  517}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400     0.700     0.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.82924E-02 ppm1      3.513 ppm2      8.980 CV     1
  OR {  517}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  522}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.400     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.22444E-02 ppm1      1.397 ppm2      8.355 CV     1
  OR {  522}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
  ASSI {  524}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.400     3.400     2.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.23653E-02 ppm1      3.751 ppm2      8.231 CV     1
  OR {  524}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  535}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HB2 ))
       2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.44149E-02 ppm1      1.022 ppm2      1.389 CV     1
  ASSI {  537}
    (  segid "    " and resid 8    and name HD2%)
    (( segid "    " and resid 19   and name HB2 ))
       2.800     2.800     3.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.70305E-02 ppm1      1.420 ppm2      1.619 CV     1
  ASSI {  541}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.90248E-03 ppm1      3.503 ppm2      6.734 CV     1
  OR {  541}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  542}
    (( segid "    " and resid 28   and name HB2 ))
    (  segid "    " and resid 39   and name HD% )
       3.200     1.300     1.300 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18782E-02 ppm1      2.620 ppm2      6.819 CV     1
  ASSI {  544}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       4.200     2.200     1.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.71400E-03 ppm1      1.948 ppm2      8.752 CV     1
  ASSI {  545}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       3.200     1.300     1.300 peak   545 spectrum    1 weight  0.10000E+01 volume  0.20353E-02 ppm1      1.298 ppm2      8.701 CV     1
  OR {  545}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  552}
    (  segid "    " and resid 29   and name HB% )
    (  segid "    " and resid 39   and name HD% )
       4.600     2.700     1.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.44952E-03 ppm1      1.314 ppm2      6.819 CV     1
  ASSI {  560}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 19   and name HB3 ))
       2.200     2.200     3.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.75881E-02 ppm1      1.758 ppm2      2.128 CV     1
  ASSI {  563}
    (  segid "    " and resid 8    and name HD2%)
    (( segid "    " and resid 8    and name HN  ))
       3.600     1.600     1.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.20062E-02 ppm1      1.410 ppm2      8.041 CV     1
  ASSI {  565}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HE  ))
       4.100     2.100     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.54147E-03 ppm1      1.388 ppm2      7.211 CV     1
  ASSI {  566}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HE  ))
       3.900     1.900     1.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.61864E-03 ppm1      1.795 ppm2      7.211 CV     1
  ASSI {  567}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 38   and name HN  ))
       3.800     1.800     1.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.15240E-02 ppm1      1.568 ppm2      8.647 CV     1
  ASSI {  568}
    (( segid "    " and resid 21   and name HD2 ))
    (( segid "    " and resid 21   and name HE  ))
       3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.20630E-02 ppm1      2.990 ppm2      7.212 CV     1
  OR {  568}
    (( segid "    " and resid 21   and name HD3 ))
    (( segid "    " and resid 21   and name HE  ))
  ASSI {  573}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 30   and name HN  ))
       6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      8.226 CV     1
  OR {  573}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  574}
    (  segid "    " and resid 29   and name HB% )
    (  segid "    " and resid 17   and name HD% )
       2.500     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.65960E-02 ppm1      1.312 ppm2      7.081 CV     1
  ASSI {  576}
    (( segid "    " and resid 28   and name HB3 ))
    (  segid "    " and resid 39   and name HD% )
       3.300     1.400     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      2.674 ppm2      6.819 CV     1
  ASSI {    8}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HA  ))
       2.100     0.500     0.500 peak     8 spectrum    2 weight  0.10000E+01 volume  0.20040E-01 ppm1      2.579 ppm2      4.165 CV     1
  ASSI {   13}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 11   and name HA  ))
       2.500     0.800     0.800 peak    13 spectrum    2 weight  0.10000E+01 volume  0.71177E-02 ppm1      1.019 ppm2      4.272 CV     1
  ASSI {   14}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 11   and name HA  ))
       2.600     0.900     0.900 peak    14 spectrum    2 weight  0.10000E+01 volume  0.53278E-02 ppm1      4.087 ppm2      4.272 CV     1
  ASSI {   15}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 11   and name HB  ))
       2.200     0.600     0.600 peak    15 spectrum    2 weight  0.10000E+01 volume  0.14491E-01 ppm1      1.019 ppm2      4.086 CV     1
  ASSI {   18}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 18   and name HA  ))
       2.400     0.700     0.700 peak    18 spectrum    2 weight  0.10000E+01 volume  0.79982E-02 ppm1      1.328 ppm2      4.247 CV     1
  ASSI {   21}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB2 ))
       2.400     0.700     0.700 peak    21 spectrum    2 weight  0.10000E+01 volume  0.80359E-02 ppm1      3.553 ppm2      3.736 CV     1
  OR {   21}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
  ASSI {   22}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.100     1.100 peak    22 spectrum    2 weight  0.10000E+01 volume  0.19787E-02 ppm1      4.370 ppm2      8.949 CV     1
  ASSI {   24}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.300     1.300 peak    24 spectrum    2 weight  0.10000E+01 volume  0.21463E-02 ppm1      1.455 ppm2      8.949 CV     1
  ASSI {   27}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HA  ))
       2.500     0.800     0.800 peak    27 spectrum    2 weight  0.10000E+01 volume  0.46799E-02 ppm1      1.473 ppm2      4.373 CV     1
  ASSI {   35}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HA  ))
       2.900     1.000     1.000 peak    35 spectrum    2 weight  0.10000E+01 volume  0.23153E-02 ppm1      2.675 ppm2      4.358 CV     1
  ASSI {   36}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HA  ))
       2.800     1.000     1.000 peak    36 spectrum    2 weight  0.10000E+01 volume  0.49996E-02 ppm1      3.043 ppm2      4.358 CV     1
  ASSI {   37}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HB3 ))
       1.600     0.300     0.600 peak    37 spectrum    2 weight  0.10000E+01 volume  0.32152E-01 ppm1      2.675 ppm2      3.043 CV     1
  ASSI {   41}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HA  ))
       2.700     0.900     0.900 peak    41 spectrum    2 weight  0.10000E+01 volume  0.43940E-02 ppm1      3.596 ppm2      3.926 CV     1
  ASSI {   42}
    (( segid "    " and resid 3    and name HB3 ))
    (( segid "    " and resid 3    and name HA  ))
       2.900     1.100     1.100 peak    42 spectrum    2 weight  0.10000E+01 volume  0.26759E-02 ppm1      3.790 ppm2      3.926 CV     1
  ASSI {   43}
    (( segid "    " and resid 3    and name HB2 ))
    (( segid "    " and resid 3    and name HB3 ))
       1.800     0.400     0.400 peak    43 spectrum    2 weight  0.10000E+01 volume  0.17534E-01 ppm1      3.596 ppm2      3.790 CV     1
  ASSI {   47}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HA  ))
       2.500     0.800     0.800 peak    47 spectrum    2 weight  0.10000E+01 volume  0.37321E-02 ppm1      2.360 ppm2      4.517 CV     1
  ASSI {   48}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       3.500     1.500     1.500 peak    48 spectrum    2 weight  0.10000E+01 volume  0.67332E-03 ppm1      2.659 ppm2      8.675 CV     1
  ASSI {   54}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 32   and name HN  ))
       2.900     1.100     1.100 peak    54 spectrum    2 weight  0.10000E+01 volume  0.31519E-02 ppm1      1.544 ppm2      8.683 CV     1
  ASSI {   57}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 32   and name HA  ))
       2.800     1.000     1.000 peak    57 spectrum    2 weight  0.10000E+01 volume  0.28843E-02 ppm1      1.544 ppm2      4.116 CV     1
  ASSI {   58}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 32   and name HB  ))
       2.100     0.500     0.500 peak    58 spectrum    2 weight  0.10000E+01 volume  0.19435E-01 ppm1      0.698 ppm2      1.544 CV     1
  ASSI {   64}
    (( segid "    " and resid 40   and name HA1 ))
    (( segid "    " and resid 40   and name HA2 ))
       1.700     0.400     0.500 peak    64 spectrum    2 weight  0.10000E+01 volume  0.24745E-01 ppm1      3.687 ppm2      4.086 CV     1
  ASSI {   69}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HA  ))
       2.900     1.000     1.000 peak    69 spectrum    2 weight  0.10000E+01 volume  0.17675E-02 ppm1      1.230 ppm2      3.429 CV     1
  ASSI {   78}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HA  ))
       2.800     1.000     1.000 peak    78 spectrum    2 weight  0.10000E+01 volume  0.32490E-02 ppm1      1.025 ppm2      3.429 CV     1
  ASSI {   86}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 7    and name HA  ))
       2.500     0.800     0.800 peak    86 spectrum    2 weight  0.10000E+01 volume  0.72501E-02 ppm1      2.717 ppm2      4.466 CV     1
  ASSI {   87}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 7    and name HB3 ))
       1.800     0.400     0.400 peak    87 spectrum    2 weight  0.10000E+01 volume  0.24759E-01 ppm1      2.517 ppm2      2.717 CV     1
  ASSI {   97}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HA  ))
       2.500     0.800     0.800 peak    97 spectrum    2 weight  0.10000E+01 volume  0.65685E-02 ppm1      2.091 ppm2      3.764 CV     1
  ASSI {   98}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HA  ))
       2.600     0.800     0.800 peak    98 spectrum    2 weight  0.10000E+01 volume  0.57488E-02 ppm1      1.209 ppm2      3.764 CV     1
  OR {   98}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {   99}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HB2 ))
       2.800     1.000     1.000 peak    99 spectrum    2 weight  0.10000E+01 volume  0.31688E-02 ppm1      1.209 ppm2      2.003 CV     1
  OR {   99}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI {  105}
    (( segid "    " and resid 2    and name HB2 ))
    (( segid "    " and resid 2    and name HA  ))
       2.500     0.800     0.800 peak   105 spectrum    2 weight  0.10000E+01 volume  0.60066E-02 ppm1      2.966 ppm2      4.371 CV     1
  ASSI {  106}
    (( segid "    " and resid 2    and name HB3 ))
    (( segid "    " and resid 2    and name HA  ))
       2.700     0.900     0.900 peak   106 spectrum    2 weight  0.10000E+01 volume  0.46503E-02 ppm1      3.216 ppm2      4.371 CV     1
  ASSI {  111}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HA  ))
       3.300     1.300     1.300 peak   111 spectrum    2 weight  0.10000E+01 volume  0.18266E-02 ppm1      1.940 ppm2      4.917 CV     1
  ASSI {  112}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HA  ))
       2.500     0.800     0.800 peak   112 spectrum    2 weight  0.10000E+01 volume  0.45081E-02 ppm1      3.570 ppm2      4.917 CV     1
  ASSI {  121}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       3.700     1.700     1.700 peak   121 spectrum    2 weight  0.10000E+01 volume  0.14126E-02 ppm1      3.355 ppm2      8.115 CV     1
  ASSI {  123}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HA  ))
       2.800     1.000     1.000 peak   123 spectrum    2 weight  0.10000E+01 volume  0.31899E-02 ppm1      2.888 ppm2      4.491 CV     1
  ASSI {  124}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HA  ))
       2.800     0.900     0.900 peak   124 spectrum    2 weight  0.10000E+01 volume  0.39941E-02 ppm1      3.355 ppm2      4.491 CV     1
  ASSI {  129}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HA  ))
       3.300     1.400     1.400 peak   129 spectrum    2 weight  0.10000E+01 volume  0.20632E-02 ppm1      2.291 ppm2      4.316 CV     1
  ASSI {  130}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HA  ))
       2.600     0.800     0.800 peak   130 spectrum    2 weight  0.10000E+01 volume  0.46067E-02 ppm1      3.071 ppm2      4.316 CV     1
  ASSI {  131}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HB3 ))
       1.700     0.300     0.500 peak   131 spectrum    2 weight  0.10000E+01 volume  0.28744E-01 ppm1      2.291 ppm2      3.071 CV     1
  ASSI {  134}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 29   and name HA  ))
       2.300     0.700     0.700 peak   134 spectrum    2 weight  0.10000E+01 volume  0.89108E-02 ppm1      1.315 ppm2      5.242 CV     1
  ASSI {  140}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HA  ))
       3.000     1.100     1.100 peak   140 spectrum    2 weight  0.10000E+01 volume  0.17872E-02 ppm1      1.313 ppm2      4.251 CV     1
  OR {  140}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HA  ))
  ASSI {  143}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 9    and name HA  ))
       2.600     0.800     0.800 peak   143 spectrum    2 weight  0.10000E+01 volume  0.49447E-02 ppm1      1.232 ppm2      4.645 CV     1
  ASSI {  144}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.000     1.100     1.100 peak   144 spectrum    2 weight  0.10000E+01 volume  0.23096E-02 ppm1      3.841 ppm2      7.858 CV     1
  ASSI {  145}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.700     0.900     0.900 peak   145 spectrum    2 weight  0.10000E+01 volume  0.35518E-02 ppm1      1.847 ppm2      7.858 CV     1
  ASSI {  146}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.500     0.800     0.800 peak   146 spectrum    2 weight  0.10000E+01 volume  0.45968E-02 ppm1      1.742 ppm2      7.858 CV     1
  ASSI {  154}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 22   and name HA  ))
       2.900     1.100     1.100 peak   154 spectrum    2 weight  0.10000E+01 volume  0.34631E-02 ppm1      1.847 ppm2      3.841 CV     1
  ASSI {  155}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HA  ))
       2.400     0.700     0.700 peak   155 spectrum    2 weight  0.10000E+01 volume  0.59066E-02 ppm1      1.742 ppm2      3.841 CV     1
  ASSI {  160}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HB3 ))
       1.700     0.400     0.500 peak   160 spectrum    2 weight  0.10000E+01 volume  0.18013E-01 ppm1      1.742 ppm2      1.847 CV     1
  ASSI {  164}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.200     1.300     1.300 peak   164 spectrum    2 weight  0.10000E+01 volume  0.14661E-02 ppm1      4.039 ppm2      7.730 CV     1
  ASSI {  165}
    (( segid "    " and resid 23   and name HG3 ))
    (( segid "    " and resid 23   and name HN  ))
       4.700     2.700     1.300 peak   165 spectrum    2 weight  0.10000E+01 volume  0.41377E-03 ppm1      2.310 ppm2      7.730 CV     1
  ASSI {  166}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HN  ))
       4.400     2.400     1.600 peak   166 spectrum    2 weight  0.10000E+01 volume  0.39898E-03 ppm1      2.192 ppm2      7.730 CV     1
  ASSI {  167}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       2.500     0.800     0.800 peak   167 spectrum    2 weight  0.10000E+01 volume  0.51249E-02 ppm1      2.044 ppm2      7.730 CV     1
  OR {  167}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  168}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HA  ))
       2.400     0.700     0.700 peak   168 spectrum    2 weight  0.10000E+01 volume  0.84356E-02 ppm1      2.044 ppm2      4.039 CV     1
  OR {  168}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HA  ))
  ASSI {  169}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HA  ))
       3.500     1.500     1.500 peak   169 spectrum    2 weight  0.10000E+01 volume  0.12099E-02 ppm1      2.192 ppm2      4.039 CV     1
  ASSI {  170}
    (( segid "    " and resid 23   and name HG3 ))
    (( segid "    " and resid 23   and name HA  ))
       3.300     1.400     1.400 peak   170 spectrum    2 weight  0.10000E+01 volume  0.16126E-02 ppm1      2.310 ppm2      4.039 CV     1
  ASSI {  172}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HG3 ))
       1.900     0.400     0.400 peak   172 spectrum    2 weight  0.10000E+01 volume  0.14280E-01 ppm1      2.192 ppm2      2.310 CV     1
  ASSI {  173}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HG2 ))
       2.500     0.800     0.800 peak   173 spectrum    2 weight  0.10000E+01 volume  0.62220E-02 ppm1      2.044 ppm2      2.192 CV     1
  OR {  173}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HG2 ))
  ASSI {  174}
    (( segid "    " and resid 12   and name HA1 ))
    (( segid "    " and resid 12   and name HA2 ))
       1.700     0.300     0.500 peak   174 spectrum    2 weight  0.10000E+01 volume  0.28237E-01 ppm1      3.779 ppm2      4.302 CV     1
  ASSI {  182}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HB3 ))
       1.800     0.400     0.400 peak   182 spectrum    2 weight  0.10000E+01 volume  0.23153E-01 ppm1      2.829 ppm2      3.136 CV     1
  ASSI {  186}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HA  ))
       2.800     1.000     1.000 peak   186 spectrum    2 weight  0.10000E+01 volume  0.29448E-02 ppm1      3.507 ppm2      5.170 CV     1
  ASSI {  187}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HA  ))
       2.800     1.000     1.000 peak   187 spectrum    2 weight  0.10000E+01 volume  0.27138E-02 ppm1      3.603 ppm2      5.170 CV     1
  ASSI {  188}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HB3 ))
       1.800     0.400     0.400 peak   188 spectrum    2 weight  0.10000E+01 volume  0.17125E-01 ppm1      3.507 ppm2      3.603 CV     1
  ASSI {  192}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HA  ))
       3.200     1.300     1.300 peak   192 spectrum    2 weight  0.10000E+01 volume  0.17210E-02 ppm1      2.527 ppm2      4.395 CV     1
  ASSI {  193}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HA  ))
       2.400     0.700     0.700 peak   193 spectrum    2 weight  0.10000E+01 volume  0.67417E-02 ppm1      2.851 ppm2      4.395 CV     1
  ASSI {  194}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       1.700     0.300     0.500 peak   194 spectrum    2 weight  0.10000E+01 volume  0.29068E-01 ppm1      2.527 ppm2      2.851 CV     1
  ASSI {  201}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HA  ))
       2.900     1.100     1.100 peak   201 spectrum    2 weight  0.10000E+01 volume  0.34997E-02 ppm1      2.881 ppm2      4.832 CV     1
  ASSI {  202}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HA  ))
       2.600     0.900     0.900 peak   202 spectrum    2 weight  0.10000E+01 volume  0.35884E-02 ppm1      3.069 ppm2      4.832 CV     1
  ASSI {  207}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HA  ))
       2.600     0.900     0.900 peak   207 spectrum    2 weight  0.10000E+01 volume  0.47264E-02 ppm1      2.656 ppm2      4.191 CV     1
  ASSI {  208}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HA  ))
       2.600     0.900     0.900 peak   208 spectrum    2 weight  0.10000E+01 volume  0.60685E-02 ppm1      2.788 ppm2      4.191 CV     1
  ASSI {  217}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HA  ))
       3.000     1.100     1.100 peak   217 spectrum    2 weight  0.10000E+01 volume  0.25970E-02 ppm1      2.657 ppm2      4.517 CV     1
  ASSI {  218}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HB3 ))
       1.800     0.400     0.400 peak   218 spectrum    2 weight  0.10000E+01 volume  0.21378E-01 ppm1      2.157 ppm2      2.638 CV     1
  ASSI {  219}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HD2 ))
       2.800     1.000     1.000 peak   219 spectrum    2 weight  0.10000E+01 volume  0.29026E-02 ppm1      1.022 ppm2      2.968 CV     1
  OR {  219}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HD3 ))
  ASSI {  220}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HD3 ))
       2.600     0.800     0.800 peak   220 spectrum    2 weight  0.10000E+01 volume  0.45025E-02 ppm1      1.230 ppm2      2.968 CV     1
  OR {  220}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HD2 ))
  ASSI {  221}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HD3 ))
       2.900     1.000     1.000 peak   221 spectrum    2 weight  0.10000E+01 volume  0.25308E-02 ppm1      1.383 ppm2      2.968 CV     1
  OR {  221}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HD2 ))
  ASSI {  222}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HD2 ))
       2.700     0.900     0.900 peak   222 spectrum    2 weight  0.10000E+01 volume  0.35786E-02 ppm1      1.799 ppm2      2.971 CV     1
  OR {  222}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HD3 ))
  ASSI {  257}
    (( segid "    " and resid 37   and name HD2 ))
    (( segid "    " and resid 37   and name HN  ))
       4.000     2.000     2.000 peak   257 spectrum    2 weight  0.10000E+01 volume  0.62009E-03 ppm1      1.316 ppm2      8.949 CV     1
  OR {  257}
    (( segid "    " and resid 37   and name HD3 ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {  274}
    (  segid "    " and resid 4    and name HG2%)
    (( segid "    " and resid 4    and name HB  ))
       2.200     0.600     0.600 peak   274 spectrum    2 weight  0.10000E+01 volume  0.13714E-01 ppm1      0.993 ppm2      4.344 CV     1
  ASSI {  282}
    (( segid "    " and resid 27   and name HD2 ))
    (( segid "    " and resid 27   and name HD3 ))
       1.600     0.300     0.600 peak   282 spectrum    2 weight  0.10000E+01 volume  0.22604E-01 ppm1      3.180 ppm2      3.628 CV     1
  ASSI {  283}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HD3 ))
       2.900     1.000     1.000 peak   283 spectrum    2 weight  0.10000E+01 volume  0.37363E-02 ppm1      1.757 ppm2      3.628 CV     1
  OR {  283}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HD3 ))
  ASSI {  284}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HD3 ))
       2.500     0.800     0.800 peak   284 spectrum    2 weight  0.10000E+01 volume  0.44659E-02 ppm1      1.596 ppm2      3.628 CV     1
  OR {  284}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HD3 ))
  ASSI {  287}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HA  ))
       3.200     1.300     1.300 peak   287 spectrum    2 weight  0.10000E+01 volume  0.39251E-02 ppm1      1.596 ppm2      4.379 CV     1
  OR {  287}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HA  ))
  ASSI {  288}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HA  ))
       2.600     0.900     0.900 peak   288 spectrum    2 weight  0.10000E+01 volume  0.32040E-02 ppm1      1.757 ppm2      4.379 CV     1
  OR {  288}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HA  ))
  ASSI {  291}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 19   and name HA  ))
       3.200     1.300     1.300 peak   291 spectrum    2 weight  0.10000E+01 volume  0.17829E-02 ppm1      3.503 ppm2      4.204 CV     1
  OR {  291}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 19   and name HA  ))
  ASSI {  292}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HA  ))
       2.200     0.600     0.600 peak   292 spectrum    2 weight  0.10000E+01 volume  0.88977E-02 ppm1      2.127 ppm2      4.204 CV     1
  ASSI {  293}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HD2 ))
       3.500     1.500     1.500 peak   293 spectrum    2 weight  0.10000E+01 volume  0.24984E-02 ppm1      2.127 ppm2      3.503 CV     1
  OR {  293}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HD3 ))
  ASSI {  294}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HD3 ))
       2.400     0.700     0.700 peak   294 spectrum    2 weight  0.10000E+01 volume  0.60333E-02 ppm1      1.977 ppm2      3.503 CV     1
  OR {  294}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HD2 ))
  ASSI {  295}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HA  ))
       4.200     2.200     1.800 peak   295 spectrum    2 weight  0.10000E+01 volume  0.99220E-03 ppm1      1.977 ppm2      4.204 CV     1
  ASSI {  296}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HG3 ))
       1.600     0.300     0.600 peak   296 spectrum    2 weight  0.10000E+01 volume  0.22224E-01 ppm1      1.977 ppm2      2.101 CV     1
  ASSI {  297}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HB3 ))
       1.700     0.400     0.500 peak   297 spectrum    2 weight  0.10000E+01 volume  0.18506E-01 ppm1      1.610 ppm2      2.127 CV     1
  ASSI {  299}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HD3 ))
       3.700     1.700     1.700 peak   299 spectrum    2 weight  0.10000E+01 volume  0.10034E-02 ppm1      1.610 ppm2      3.503 CV     1
  OR {  299}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HD2 ))
  ASSI {  300}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HA  ))
       2.800     1.000     1.000 peak   300 spectrum    2 weight  0.10000E+01 volume  0.56221E-02 ppm1      1.610 ppm2      4.204 CV     1
  ASSI {  303}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 24   and name HA  ))
       2.500     0.800     0.800 peak   303 spectrum    2 weight  0.10000E+01 volume  0.56897E-02 ppm1      4.226 ppm2      4.574 CV     1
  ASSI {  306}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HA2 ))
       1.900     0.500     0.500 peak   306 spectrum    2 weight  0.10000E+01 volume  0.13623E-01 ppm1      3.586 ppm2      4.559 CV     1
  ASSI {  307}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       3.100     1.200     1.200 peak   307 spectrum    2 weight  0.10000E+01 volume  0.14253E-02 ppm1      4.526 ppm2      8.236 CV     1
  ASSI {  308}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       2.900     1.100     1.100 peak   308 spectrum    2 weight  0.10000E+01 volume  0.25519E-02 ppm1      1.690 ppm2      4.526 CV     1
  ASSI {  313}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HA  ))
       3.600     1.600     1.600 peak   313 spectrum    2 weight  0.10000E+01 volume  0.12353E-02 ppm1      1.431 ppm2      4.528 CV     1
  OR {  313}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HA  ))
  ASSI {  314}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
       2.700     0.900     0.900 peak   314 spectrum    2 weight  0.10000E+01 volume  0.34997E-02 ppm1      1.583 ppm2      4.526 CV     1
  ASSI {  322}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 24   and name HB  ))
       2.300     0.700     0.700 peak   322 spectrum    2 weight  0.10000E+01 volume  0.85103E-02 ppm1      0.979 ppm2      4.226 CV     1
  ASSI {  323}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 24   and name HA  ))
       2.800     0.900     0.900 peak   323 spectrum    2 weight  0.10000E+01 volume  0.43194E-02 ppm1      0.979 ppm2      4.574 CV     1
  ASSI {  337}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HA  ))
       3.200     1.200     1.200 peak   337 spectrum    2 weight  0.10000E+01 volume  0.20717E-02 ppm1      2.459 ppm2      4.845 CV     1
  ASSI {  338}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HA  ))
       2.500     0.800     0.800 peak   338 spectrum    2 weight  0.10000E+01 volume  0.49588E-02 ppm1      3.492 ppm2      4.845 CV     1
  ASSI {  339}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HB3 ))
       1.700     0.400     0.500 peak   339 spectrum    2 weight  0.10000E+01 volume  0.25350E-01 ppm1      2.460 ppm2      3.499 CV     1
  ASSI {  342}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.400     0.700     0.700 peak   342 spectrum    2 weight  0.10000E+01 volume  0.56489E-02 ppm1      4.845 ppm2      8.104 CV     1
  ASSI {  353}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HA  ))
       2.800     1.000     1.000 peak   353 spectrum    2 weight  0.10000E+01 volume  0.34898E-02 ppm1      2.003 ppm2      3.764 CV     1
  ASSI {  356}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HB3 ))
       2.500     0.800     0.800 peak   356 spectrum    2 weight  0.10000E+01 volume  0.69178E-02 ppm1      1.209 ppm2      2.091 CV     1
  OR {  356}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  357}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.200     1.200 peak   357 spectrum    2 weight  0.10000E+01 volume  0.22294E-02 ppm1      3.764 ppm2      7.667 CV     1
  ASSI {  361}
    (( segid "    " and resid 17   and name HB2 ))
    (  segid "    " and resid 17   and name HD% )
       2.700     0.900     0.900 peak   361 spectrum    2 weight  0.10000E+01 volume  0.51939E-02 ppm1      2.881 ppm2      7.082 CV     1
  ASSI {  362}
    (( segid "    " and resid 17   and name HB3 ))
    (  segid "    " and resid 17   and name HD% )
       2.700     0.900     0.900 peak   362 spectrum    2 weight  0.10000E+01 volume  0.33476E-02 ppm1      3.069 ppm2      7.082 CV     1
  ASSI {  363}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 17   and name HD% )
       2.300     0.700     0.700 peak   363 spectrum    2 weight  0.10000E+01 volume  0.74360E-02 ppm1      4.832 ppm2      7.082 CV     1
  ASSI {  381}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HA  ))
       2.800     1.000     1.000 peak   381 spectrum    2 weight  0.10000E+01 volume  0.37589E-02 ppm1      1.796 ppm2      3.429 CV     1
  ASSI {  382}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       4.100     2.100     1.900 peak   382 spectrum    2 weight  0.10000E+01 volume  0.30505E-03 ppm1      3.429 ppm2      7.858 CV     1
  ASSI {  383}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       4.300     2.300     1.700 peak   383 spectrum    2 weight  0.10000E+01 volume  0.75360E-03 ppm1      1.381 ppm2      7.858 CV     1
  ASSI {  384}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.600     0.900     0.900 peak   384 spectrum    2 weight  0.10000E+01 volume  0.25984E-02 ppm1      1.796 ppm2      7.858 CV     1
  ASSI {  386}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       2.900     1.000     1.000 peak   386 spectrum    2 weight  0.10000E+01 volume  0.14112E-02 ppm1      1.847 ppm2      7.730 CV     1
  ASSI {  387}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       4.600     2.600     1.400 peak   387 spectrum    2 weight  0.10000E+01 volume  0.60474E-03 ppm1      1.742 ppm2      7.730 CV     1
  ASSI {  388}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       4.300     2.300     1.700 peak   388 spectrum    2 weight  0.10000E+01 volume  0.34912E-03 ppm1      3.841 ppm2      7.730 CV     1
  ASSI {  389}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       3.200     1.300     1.300 peak   389 spectrum    2 weight  0.10000E+01 volume  0.12010E-02 ppm1      7.730 ppm2      8.198 CV     1
  ASSI {  393}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       2.900     1.000     1.000 peak   393 spectrum    2 weight  0.10000E+01 volume  0.18506E-02 ppm1      8.083 ppm2      8.198 CV     1
  ASSI {  406}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HA  ))
       2.300     0.700     0.700 peak   406 spectrum    2 weight  0.10000E+01 volume  0.88038E-02 ppm1      1.498 ppm2      2.824 CV     1
  ASSI {  407}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.200     0.600     0.600 peak   407 spectrum    2 weight  0.10000E+01 volume  0.95693E-02 ppm1      1.578 ppm2      2.825 CV     1
  ASSI {  413}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 29   and name HA  ))
       2.900     1.000     1.000 peak   413 spectrum    2 weight  0.10000E+01 volume  0.21787E-02 ppm1      4.845 ppm2      5.242 CV     1
  ASSI {  415}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       4.500     2.600     1.500 peak   415 spectrum    2 weight  0.10000E+01 volume  0.24393E-03 ppm1      4.845 ppm2      8.236 CV     1
  ASSI {  416}
    (( segid "    " and resid 27   and name HD2 ))
    (( segid "    " and resid 26   and name HA  ))
       2.400     0.700     0.700 peak   416 spectrum    2 weight  0.10000E+01 volume  0.88330E-02 ppm1      3.180 ppm2      4.914 CV     1
  ASSI {  417}
    (( segid "    " and resid 27   and name HD3 ))
    (( segid "    " and resid 26   and name HA  ))
       2.300     0.700     0.700 peak   417 spectrum    2 weight  0.10000E+01 volume  0.53263E-02 ppm1      3.628 ppm2      4.914 CV     1
  ASSI {  430}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   430 spectrum    2 weight  0.10000E+01 volume  0.97796E-03 ppm1      4.204 ppm2      7.858 CV     1
  ASSI {  431}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 32   and name HG2%)
       2.800     1.000     1.000 peak   431 spectrum    2 weight  0.10000E+01 volume  0.17759E-01 ppm1      0.698 ppm2      1.235 CV     1
  ASSI {  432}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HA  ))
       2.700     0.900     0.900 peak   432 spectrum    2 weight  0.10000E+01 volume  0.40631E-02 ppm1      1.235 ppm2      4.116 CV     1
  ASSI {  437}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 32   and name HB  ))
       2.500     0.800     0.800 peak   437 spectrum    2 weight  0.10000E+01 volume  0.60882E-02 ppm1      0.799 ppm2      1.544 CV     1
  OR {  437}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 32   and name HB  ))
  ASSI {  446}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 35   and name HA  ))
       3.000     1.100     1.100 peak   446 spectrum    2 weight  0.10000E+01 volume  0.16703E-02 ppm1      4.645 ppm2      5.170 CV     1
  ASSI {  447}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       3.500     1.500     1.500 peak   447 spectrum    2 weight  0.10000E+01 volume  0.82500E-03 ppm1      7.730 ppm2      7.867 CV     1
  ASSI {  476}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.800     1.800     1.800 peak   476 spectrum    2 weight  0.10000E+01 volume  0.53278E-03 ppm1      4.491 ppm2      7.730 CV     1
  ASSI {  478}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 19   and name HA  ))
       2.700     0.900     0.900 peak   478 spectrum    2 weight  0.10000E+01 volume  0.47855E-02 ppm1      2.101 ppm2      4.204 CV     1
  ASSI {  479}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 19   and name HD2 ))
       2.400     0.800     0.800 peak   479 spectrum    2 weight  0.10000E+01 volume  0.51208E-02 ppm1      2.101 ppm2      3.503 CV     1
  OR {  479}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 19   and name HD3 ))
  ASSI {  480}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HG3 ))
       2.700     0.900     0.900 peak   480 spectrum    2 weight  0.10000E+01 volume  0.87922E-02 ppm1      1.610 ppm2      2.101 CV     1
  ASSI {  481}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HB3 ))
       2.600     0.800     0.800 peak   481 spectrum    2 weight  0.10000E+01 volume  0.69685E-02 ppm1      1.977 ppm2      2.127 CV     1
  ASSI {  482}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.900     1.000     1.000 peak   482 spectrum    2 weight  0.10000E+01 volume  0.25350E-02 ppm1      3.503 ppm2      8.115 CV     1
  OR {  482}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  487}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 19   and name HD2 ))
       2.100     0.500     0.500 peak   487 spectrum    2 weight  0.10000E+01 volume  0.13784E-01 ppm1      1.328 ppm2      3.503 CV     1
  OR {  487}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 19   and name HD3 ))
  ASSI {  519}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       3.100     1.200     1.200 peak   519 spectrum    2 weight  0.10000E+01 volume  0.15759E-02 ppm1      4.379 ppm2      8.652 CV     1
  ASSI {  533}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 23   and name HB2 ))
       2.900     1.000     1.000 peak   533 spectrum    2 weight  0.10000E+01 volume  0.31603E-02 ppm1      0.979 ppm2      2.053 CV     1
  OR {  533}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 23   and name HB3 ))
  ASSI {  534}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 38   and name HB2 ))
       3.100     1.200     1.200 peak   534 spectrum    2 weight  0.10000E+01 volume  0.22547E-02 ppm1      0.978 ppm2      2.464 CV     1
  ASSI {  538}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 40   and name HA1 ))
       3.000     1.200     1.200 peak   538 spectrum    2 weight  0.10000E+01 volume  0.19182E-02 ppm1      0.980 ppm2      3.687 CV     1
  ASSI {  539}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 38   and name HB3 ))
       2.700     2.700     3.300 peak   539 spectrum    2 weight  0.10000E+01 volume  0.36293E-02 ppm1      0.980 ppm2      3.503 CV     1
  ASSI {  542}
    (( segid "    " and resid 37   and name HE3 ))
    (  segid "    " and resid 39   and name HD% )
       3.500     3.500     2.500 peak   542 spectrum    2 weight  0.10000E+01 volume  0.87483E-03 ppm1      2.620 ppm2      6.819 CV     1
  ASSI {  547}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 17   and name HE% )
       3.700     1.700     1.700 peak   547 spectrum    2 weight  0.10000E+01 volume  0.71276E-03 ppm1      1.592 ppm2      6.683 CV     1
  ASSI {  548}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 17   and name HE% )
       4.000     2.000     2.000 peak   548 spectrum    2 weight  0.10000E+01 volume  0.80937E-03 ppm1      1.493 ppm2      6.683 CV     1
  ASSI {  549}
    (  segid "    " and resid 29   and name HB% )
    (  segid "    " and resid 17   and name HE% )
       3.200     1.300     1.300 peak   549 spectrum    2 weight  0.10000E+01 volume  0.19407E-02 ppm1      1.315 ppm2      6.683 CV     1
  ASSI {  550}
    (( segid "    " and resid 14   and name HG2 ))
    (  segid "    " and resid 17   and name HE% )
       4.100     2.100     1.900 peak   550 spectrum    2 weight  0.10000E+01 volume  0.99736E-03 ppm1      1.158 ppm2      6.683 CV     1
  OR {  550}
    (( segid "    " and resid 14   and name HG3 ))
    (  segid "    " and resid 17   and name HE% )
  ASSI {  551}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 17   and name HN  ))
       4.500     2.500     1.500 peak   551 spectrum    2 weight  0.10000E+01 volume  0.42236E-03 ppm1      1.315 ppm2      6.732 CV     1
  ASSI {  554}
    (( segid "    " and resid 30   and name HD3 ))
    (  segid "    " and resid 39   and name HE% )
       3.500     1.600     1.600 peak   554 spectrum    2 weight  0.10000E+01 volume  0.12327E-02 ppm1      1.418 ppm2      6.509 CV     1
  OR {  554}
    (( segid "    " and resid 30   and name HD2 ))
    (  segid "    " and resid 39   and name HE% )
  ASSI {  555}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 39   and name HE% )
       3.300     1.400     1.400 peak   555 spectrum    2 weight  0.10000E+01 volume  0.22646E-02 ppm1      1.696 ppm2      6.509 CV     1
  ASSI {  556}
    (( segid "    " and resid 30   and name HB2 ))
    (  segid "    " and resid 39   and name HE% )
       3.000     1.200     1.200 peak   556 spectrum    2 weight  0.10000E+01 volume  0.17210E-02 ppm1      1.603 ppm2      6.509 CV     1
  ASSI {  580}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 17   and name HE% )
       5.000     3.100     1.000 peak   580 spectrum    2 weight  0.10000E+01 volume  0.48658E-03 ppm1      4.832 ppm2      6.683 CV     1
  ASSI {  581}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 17   and name HE% )
       2.900     1.000     1.000 peak   581 spectrum    2 weight  0.10000E+01 volume  0.31983E-02 ppm1      2.829 ppm2      6.684 CV     1
  ASSI {  582}
    (( segid "    " and resid 13   and name HB3 ))
    (  segid "    " and resid 17   and name HE% )
       2.900     1.100     1.100 peak   582 spectrum    2 weight  0.10000E+01 volume  0.24956E-02 ppm1      3.750 ppm2      6.684 CV     1
  OR {  582}
    (( segid "    " and resid 13   and name HB2 ))
    (  segid "    " and resid 17   and name HE% )
  ASSI {  583}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 17   and name HE% )
       5.200     3.300     0.800 peak   583 spectrum    2 weight  0.10000E+01 volume  0.24322E-03 ppm1      4.176 ppm2      6.684 CV     1
  ASSI {  584}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 17   and name HA  ))
       3.000     1.100     1.100 peak   584 spectrum    2 weight  0.10000E+01 volume  0.15886E-02 ppm1      4.379 ppm2      4.832 CV     1
  ASSI {  585}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
       2.600     0.800     0.800 peak   585 spectrum    2 weight  0.10000E+01 volume  0.69403E-02 ppm1      2.507 ppm2      4.466 CV     1
  ASSI {  586}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 39   and name HE% )
       3.700     1.700     1.700 peak   586 spectrum    2 weight  0.10000E+01 volume  0.59009E-03 ppm1      5.242 ppm2      6.509 CV     1
  ASSI {  587}
    (( segid "    " and resid 37   and name HE3 ))
    (  segid "    " and resid 39   and name HE% )
       4.200     2.200     1.800 peak   587 spectrum    2 weight  0.10000E+01 volume  0.30927E-03 ppm1      2.618 ppm2      6.509 CV     1
  ASSI {  589}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 17   and name HD% )
       2.800     1.000     1.000 peak   589 spectrum    2 weight  0.10000E+01 volume  0.26111E-02 ppm1      2.829 ppm2      7.080 CV     1
  ASSI {  590}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.500     1.500     1.500 peak   590 spectrum    2 weight  0.10000E+01 volume  0.77687E-03 ppm1      2.829 ppm2      6.720 CV     1
  ASSI {  591}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       4.200     2.200     1.800 peak   591 spectrum    2 weight  0.10000E+01 volume  0.40419E-03 ppm1      4.387 ppm2      8.117 CV     1
  ASSI {  593}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 38   and name HA  ))
       2.800     1.000     1.000 peak   593 spectrum    2 weight  0.10000E+01 volume  0.43433E-02 ppm1      1.315 ppm2      4.845 CV     1
  ASSI {  594}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 20   and name HA  ))
       2.800     0.900     0.900 peak   594 spectrum    2 weight  0.10000E+01 volume  0.39870E-02 ppm1      2.044 ppm2      4.491 CV     1
  OR {  594}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 20   and name HA  ))
  ASSI {  595}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 16   and name HA  ))
       2.800     1.000     1.000 peak   595 spectrum    2 weight  0.10000E+01 volume  0.34124E-02 ppm1      3.503 ppm2      4.396 CV     1
  OR {  595}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 16   and name HA  ))
  ASSI {  596}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 16   and name HA  ))
       3.900     1.900     1.900 peak   596 spectrum    2 weight  0.10000E+01 volume  0.31363E-02 ppm1      2.092 ppm2      4.396 CV     1
  ASSI {  597}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 19   and name HA  ))
       2.700     0.900     0.900 peak   597 spectrum    2 weight  0.10000E+01 volume  0.27885E-02 ppm1      1.847 ppm2      4.204 CV     1
  ASSI {  598}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 19   and name HA  ))
       3.200     1.300     1.300 peak   598 spectrum    2 weight  0.10000E+01 volume  0.24181E-02 ppm1      1.742 ppm2      4.204 CV     1
  ASSI {  599}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 41   and name HA  ))
       3.800     1.800     1.800 peak   599 spectrum    2 weight  0.10000E+01 volume  0.15111E-02 ppm1      3.575 ppm2      4.360 CV     1
  ASSI {  600}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 41   and name HA  ))
       3.200     1.300     1.300 peak   600 spectrum    2 weight  0.10000E+01 volume  0.24660E-02 ppm1      1.937 ppm2      4.360 CV     1
  ASSI {  601}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 16   and name HB3 ))
       2.400     0.700     0.700 peak   601 spectrum    2 weight  0.10000E+01 volume  0.67319E-02 ppm1      1.315 ppm2      2.864 CV     1
  ASSI {  603}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       2.700     2.700     3.300 peak   603 spectrum    2 weight  0.10000E+01 volume  0.35096E-02 ppm1      2.361 ppm2      2.866 CV     1
  ASSI {  604}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 38   and name HB3 ))
       3.100     3.100     2.900 peak   604 spectrum    2 weight  0.10000E+01 volume  0.22393E-02 ppm1      2.888 ppm2      3.501 CV     1
  ASSI {  605}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 13   and name HA  ))
       3.100     1.200     1.200 peak   605 spectrum    2 weight  0.10000E+01 volume  0.19435E-02 ppm1      2.637 ppm2      3.553 CV     1
  ASSI {  606}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 13   and name HA  ))
       2.600     2.600     3.400 peak   606 spectrum    2 weight  0.10000E+01 volume  0.49109E-02 ppm1      2.158 ppm2      3.553 CV     1
  ASSI {  607}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 30   and name HA  ))
       2.600     2.600     3.400 peak   607 spectrum    2 weight  0.10000E+01 volume  0.51996E-02 ppm1      3.553 ppm2      4.531 CV     1
  ASSI {  608}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
       2.800     1.000     1.000 peak   608 spectrum    2 weight  0.10000E+01 volume  0.28603E-02 ppm1      3.736 ppm2      4.531 CV     1
  OR {  608}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
  ASSI {  609}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 20   and name HB3 ))
       3.400     1.400     1.400 peak   609 spectrum    2 weight  0.10000E+01 volume  0.10859E-02 ppm1      1.313 ppm2      3.355 CV     1
  ASSI {  610}
    (  segid "    " and resid 29   and name HB% )
    (( segid "    " and resid 20   and name HB2 ))
       2.900     1.000     1.000 peak   610 spectrum    2 weight  0.10000E+01 volume  0.22406E-02 ppm1      1.316 ppm2      2.887 CV     1
  ASSI {  611}
    (( segid "    " and resid 2    and name HB3 ))
    (( segid "    " and resid 19   and name HA  ))
       2.900     2.900     3.100 peak   611 spectrum    2 weight  0.10000E+01 volume  0.33138E-02 ppm1      3.219 ppm2      4.203 CV     1
  ASSI {  612}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 26   and name HA  ))
       4.300     2.300     1.700 peak   612 spectrum    2 weight  0.10000E+01 volume  0.92258E-03 ppm1      1.026 ppm2      4.914 CV     1
  ASSI {  613}
    (( segid "    " and resid 40   and name HA1 ))
    (( segid "    " and resid 24   and name HB  ))
       2.600     2.600     3.400 peak   613 spectrum    2 weight  0.10000E+01 volume  0.53052E-02 ppm1      3.687 ppm2      4.227 CV     1
  ASSI {  616}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 8    and name HA  ))
       3.200     1.300     1.300 peak   616 spectrum    2 weight  0.10000E+01 volume  0.51982E-02 ppm1      1.251 ppm2      4.248 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TRP   1           HT1      TRP   1   7.846   1.292  10.807
    2   2H    TRP   1           HT2      TRP   1   7.636   1.186   9.104
    3   3H    TRP   1           HT3      TRP   1   7.320  -0.176  10.091
    4    HA   TRP   1           HA       TRP   1   5.309   0.820   9.390
    5   1HB   TRP   1          HB2       TRP   1   5.976   1.208  12.306
    6   2HB   TRP   1          HB1       TRP   1   4.339   1.329  11.670
    7    HD1  TRP   1           HD1      TRP   1   3.586  -1.033  10.217
    8    HE1  TRP   1           HE1      TRP   1   3.871  -3.459  11.023
    9    HE3  TRP   1           HE3      TRP   1   7.221  -0.296  13.731
   10    HZ2  TRP   1           HZ2      TRP   1   5.422  -4.873  12.905
   11    HZ3  TRP   1           HZ3      TRP   1   8.050  -2.239  14.991
   12    HH2  TRP   1           HH2      TRP   1   7.164  -4.479  14.589
   13    H    CYS   2           HN       CYS   2   3.999   2.589   9.111
   14    HA   CYS   2           HA       CYS   2   5.336   5.176   9.214
   15   1HB   CYS   2          HB2       CYS   2   3.463   5.972   7.851
   16   2HB   CYS   2          HB1       CYS   2   4.220   4.567   7.140
   17    H    SER   3           HN       SER   3   4.936   6.667  10.723
   18    HA   SER   3           HA       SER   3   3.030   6.017  12.817
   19   1HB   SER   3          HB2       SER   3   3.984   8.126  13.855
   20   2HB   SER   3          HB1       SER   3   5.141   6.832  13.542
   21    HG   SER   3           HG       SER   3   5.767   9.021  12.862
   22    H    THR   4           HN       THR   4   3.309   8.211  10.112
   23    HA   THR   4           HA       THR   4   1.028   9.809  10.944
   24    HB   THR   4           HB       THR   4   2.415   9.888   8.240
   25    HG1  THR   4           HG1      THR   4   3.222  11.192  10.666
   26   1HG2  THR   4          HG21      THR   4   0.354  11.219   8.479
   27   2HG2  THR   4          HG22      THR   4   1.774  12.247   8.319
   28   3HG2  THR   4          HG23      THR   4   1.034  12.009   9.900
   29    H    CYS   5           HN       CYS   5   0.125   7.304  10.894
   30    HA   CYS   5           HA       CYS   5  -1.552   7.201   8.495
   31   1HB   CYS   5          HB2       CYS   5  -0.067   4.870   9.706
   32   2HB   CYS   5          HB1       CYS   5  -1.316   4.724   8.471
   33    H    LEU   6           HN       LEU   6  -3.410   7.838   9.474
   34    HA   LEU   6           HA       LEU   6  -4.347   6.143  11.711
   35   1HB   LEU   6          HB2       LEU   6  -4.228   8.571  12.211
   36   2HB   LEU   6          HB1       LEU   6  -5.334   8.887  10.898
   37    HG   LEU   6           HG       LEU   6  -7.032   7.446  12.087
   38   1HD1  LEU   6          HD11      LEU   6  -5.523   6.133  13.447
   39   2HD1  LEU   6          HD12      LEU   6  -6.646   7.014  14.475
   40   3HD1  LEU   6          HD13      LEU   6  -4.985   7.582  14.297
   41   1HD2  LEU   6          HD21      LEU   6  -6.015   9.851  13.600
   42   2HD2  LEU   6          HD22      LEU   6  -7.630   9.150  13.718
   43   3HD2  LEU   6          HD23      LEU   6  -7.099   9.887  12.208
   44    H    ASP   7           HN       ASP   7  -5.874   8.121   9.186
   45    HA   ASP   7           HA       ASP   7  -7.072   5.753   7.996
   46   1HB   ASP   7          HB2       ASP   7  -8.679   6.431   9.762
   47   2HB   ASP   7          HB1       ASP   7  -8.794   8.029   9.032
   48    H    LEU   8           HN       LEU   8  -6.062   6.136   6.100
   49    HA   LEU   8           HA       LEU   8  -6.308   8.799   4.871
   50   1HB   LEU   8          HB2       LEU   8  -4.559   6.445   4.150
   51   2HB   LEU   8          HB1       LEU   8  -4.632   7.958   3.264
   52    HG   LEU   8           HG       LEU   8  -3.901   9.099   5.439
   53   1HD1  LEU   8          HD11      LEU   8  -3.320   6.228   6.138
   54   2HD1  LEU   8          HD12      LEU   8  -4.236   7.419   7.063
   55   3HD1  LEU   8          HD13      LEU   8  -2.504   7.598   6.882
   56   1HD2  LEU   8          HD21      LEU   8  -1.992   7.233   4.037
   57   2HD2  LEU   8          HD22      LEU   8  -1.555   8.665   4.972
   58   3HD2  LEU   8          HD23      LEU   8  -2.473   8.836   3.478
   59    H    ALA   9           HN       ALA   9  -8.655   7.376   4.963
   60    HA   ALA   9           HA       ALA   9  -9.248   5.595   2.957
   61   1HB   ALA   9          HB1       ALA   9 -11.581   6.279   3.264
   62   2HB   ALA   9          HB2       ALA   9 -11.039   7.690   4.173
   63   3HB   ALA   9          HB3       ALA   9 -10.739   6.069   4.798
   64    H    CYS  10           HN       CYS  10  -8.108   6.282   1.095
   65    HA   CYS  10           HA       CYS  10  -7.839   7.226  -0.902
   66   1HB   CYS  10          HB2       CYS  10 -10.788   7.748  -0.533
   67   2HB   CYS  10          HB1       CYS  10  -9.946   8.275  -1.980
   68    H    THR  11           HN       THR  11  -6.767   8.611   1.051
   69    HA   THR  11           HA       THR  11  -7.420  11.436   0.713
   70    HB   THR  11           HB       THR  11  -4.929  10.207   1.971
   71    HG1  THR  11           HG1      THR  11  -7.413  10.902   3.223
   72   1HG2  THR  11          HG21      THR  11  -6.238  12.918   2.248
   73   2HG2  THR  11          HG22      THR  11  -4.680  12.563   1.502
   74   3HG2  THR  11          HG23      THR  11  -4.898  12.336   3.234
   75    H    GLY  12           HN       GLY  12  -5.812   8.939  -0.867
   76   1HA   GLY  12          HA2       GLY  12  -5.241   9.818  -3.207
   77   2HA   GLY  12          HA1       GLY  12  -3.974  10.675  -2.335
   78    H    SER  13           HN       SER  13  -4.425   8.034  -4.158
   79    HA   SER  13           HA       SER  13  -3.162   5.963  -2.711
   80   1HB   SER  13          HB2       SER  13  -3.045   6.486  -5.694
   81   2HB   SER  13          HB1       SER  13  -2.718   4.951  -4.882
   82    HG   SER  13           HG       SER  13  -4.884   5.223  -5.779
   83    H    LYS  14           HN       LYS  14  -1.879   8.546  -4.780
   84    HA   LYS  14           HA       LYS  14   0.845   7.827  -4.531
   85   1HB   LYS  14          HB2       LYS  14  -0.418  10.503  -5.100
   86   2HB   LYS  14          HB1       LYS  14   1.298  10.144  -5.284
   87   1HG   LYS  14          HG2       LYS  14   0.784   8.490  -6.995
   88   2HG   LYS  14          HG1       LYS  14  -0.941   8.818  -6.803
   89   1HD   LYS  14          HD2       LYS  14  -0.561  11.148  -7.493
   90   2HD   LYS  14          HD1       LYS  14   1.156  10.796  -7.707
   91   1HE   LYS  14          HE2       LYS  14   0.614   9.165  -9.438
   92   2HE   LYS  14          HE1       LYS  14  -1.108   9.475  -9.206
   93   1HZ   LYS  14          HZ1       LYS  14  -0.241  10.676 -11.100
   94   2HZ   LYS  14          HZ2       LYS  14   0.900  11.460 -10.130
   95   3HZ   LYS  14          HZ3       LYS  14  -0.753  11.759  -9.907
   96    H    ASP  15           HN       ASP  15  -1.368   9.519  -2.461
   97    HA   ASP  15           HA       ASP  15   0.614  10.684  -0.756
   98   1HB   ASP  15          HB2       ASP  15  -1.811  11.439  -0.901
   99   2HB   ASP  15          HB1       ASP  15  -2.245   9.999   0.010
  100    H    CYS  16           HN       CYS  16  -1.317   7.732  -0.804
  101    HA   CYS  16           HA       CYS  16  -0.332   6.757   1.705
  102   1HB   CYS  16          HB2       CYS  16  -1.915   5.449  -0.506
  103   2HB   CYS  16          HB1       CYS  16  -1.515   4.649   1.012
  104    H    TYR  17           HN       TYR  17   0.933   6.753  -1.473
  105    HA   TYR  17           HA       TYR  17   2.363   4.360  -1.577
  106   1HB   TYR  17          HB2       TYR  17   2.907   7.125  -2.643
  107   2HB   TYR  17          HB1       TYR  17   4.099   5.856  -2.854
  108    HD1  TYR  17           HD1      TYR  17   3.325   6.950  -5.266
  109    HD2  TYR  17           HD2      TYR  17   1.142   4.090  -2.971
  110    HE1  TYR  17           HE1      TYR  17   2.185   6.171  -7.296
  111    HE2  TYR  17           HE2      TYR  17   0.025   3.330  -4.987
  112    HH   TYR  17           HH       TYR  17  -0.378   4.813  -7.562
  113    H    ALA  18           HN       ALA  18   3.289   7.414  -0.025
  114    HA   ALA  18           HA       ALA  18   5.831   6.476   0.809
  115   1HB   ALA  18          HB1       ALA  18   5.387   8.447   2.583
  116   2HB   ALA  18          HB2       ALA  18   4.173   8.855   1.369
  117   3HB   ALA  18          HB3       ALA  18   5.863   8.712   0.909
  118    HA   PRO  19           HA       PRO  19   3.558   5.630   5.177
  119   1HB   PRO  19          HB2       PRO  19   0.918   5.051   3.862
  120   2HB   PRO  19          HB1       PRO  19   1.278   5.639   5.459
  121   1HG   PRO  19          HG2       PRO  19   0.434   7.307   3.622
  122   2HG   PRO  19          HG1       PRO  19   1.706   7.794   4.755
  123   1HD   PRO  19          HD2       PRO  19   1.939   7.015   1.906
  124   2HD   PRO  19          HD1       PRO  19   2.849   8.195   2.831
  125    H    CYS  20           HN       CYS  20   2.292   4.041   2.228
  126    HA   CYS  20           HA       CYS  20   2.307   1.427   3.293
  127   1HB   CYS  20          HB2       CYS  20   1.031   2.035   1.291
  128   2HB   CYS  20          HB1       CYS  20   2.526   2.314   0.406
  129    H    ARG  21           HN       ARG  21   4.734   3.273   1.483
  130    HA   ARG  21           HA       ARG  21   6.683   1.244   1.241
  131   1HB   ARG  21          HB2       ARG  21   6.883   3.317   0.026
  132   2HB   ARG  21          HB1       ARG  21   6.946   4.243   1.488
  133   1HG   ARG  21          HG2       ARG  21   9.097   3.018   2.030
  134   2HG   ARG  21          HG1       ARG  21   9.032   2.392   0.383
  135   1HD   ARG  21          HD2       ARG  21   9.062   5.297   1.155
  136   2HD   ARG  21          HD1       ARG  21  10.460   4.380   0.649
  137    HE   ARG  21           HE       ARG  21   9.361   4.055  -1.527
  138   1HH1  ARG  21          HH11      ARG  21   8.333   6.755   0.484
  139   2HH1  ARG  21          HH12      ARG  21   7.793   7.683  -0.854
  140   1HH2  ARG  21          HH21      ARG  21   8.660   5.338  -3.289
  141   2HH2  ARG  21          HH22      ARG  21   7.969   6.898  -2.991
  142    H    LYS  22           HN       LYS  22   6.063   3.673   3.743
  143    HA   LYS  22           HA       LYS  22   8.262   2.892   5.381
  144   1HB   LYS  22          HB2       LYS  22   7.108   5.150   5.292
  145   2HB   LYS  22          HB1       LYS  22   5.819   4.441   6.239
  146   1HG   LYS  22          HG2       LYS  22   7.389   3.961   8.042
  147   2HG   LYS  22          HG1       LYS  22   8.700   4.625   7.062
  148   1HD   LYS  22          HD2       LYS  22   7.468   6.792   7.012
  149   2HD   LYS  22          HD1       LYS  22   6.311   6.121   8.136
  150   1HE   LYS  22          HE2       LYS  22   7.971   7.453   9.300
  151   2HE   LYS  22          HE1       LYS  22   8.119   5.759   9.765
  152   1HZ   LYS  22          HZ1       LYS  22  10.239   6.981   9.250
  153   2HZ   LYS  22          HZ2       LYS  22   9.784   6.963   7.623
  154   3HZ   LYS  22          HZ3       LYS  22  10.028   5.507   8.455
  155    H    GLN  23           HN       GLN  23   5.109   1.613   4.939
  156    HA   GLN  23           HA       GLN  23   5.007   0.364   7.553
  157   1HB   GLN  23          HB2       GLN  23   3.067   1.239   5.802
  158   2HB   GLN  23          HB1       GLN  23   3.034  -0.484   5.537
  159   1HG   GLN  23          HG2       GLN  23   2.943   0.626   8.323
  160   2HG   GLN  23          HG1       GLN  23   1.510   0.645   7.306
  161   1HE2  GLN  23          HE21      GLN  23   3.926  -1.963   7.309
  162   2HE2  GLN  23          HE22      GLN  23   2.875  -3.130   7.924
  163    H    THR  24           HN       THR  24   4.985  -0.737   4.149
  164    HA   THR  24           HA       THR  24   5.691  -3.425   5.111
  165    HB   THR  24           HB       THR  24   5.004  -4.178   2.874
  166    HG1  THR  24           HG1      THR  24   4.402  -2.752   1.323
  167   1HG2  THR  24          HG21      THR  24   2.989  -2.359   4.169
  168   2HG2  THR  24          HG22      THR  24   3.318  -4.033   4.620
  169   3HG2  THR  24          HG23      THR  24   2.633  -3.665   3.038
  170    H    GLY  25           HN       GLY  25   7.002  -0.819   3.158
  171   1HA   GLY  25          HA2       GLY  25   9.412  -0.771   2.795
  172   2HA   GLY  25          HA1       GLY  25   9.369  -2.509   2.547
  173    H    CYS  26           HN       CYS  26   6.642  -1.876   1.142
  174    HA   CYS  26           HA       CYS  26   7.839  -1.129  -1.433
  175   1HB   CYS  26          HB2       CYS  26   5.639  -3.082  -0.831
  176   2HB   CYS  26          HB1       CYS  26   6.050  -2.548  -2.448
  177    HA   PRO  27           HA       PRO  27   4.939   2.237  -0.959
  178   1HB   PRO  27          HB2       PRO  27   5.774   3.737  -2.996
  179   2HB   PRO  27          HB1       PRO  27   6.854   3.390  -1.662
  180   1HG   PRO  27          HG2       PRO  27   6.698   2.017  -4.312
  181   2HG   PRO  27          HG1       PRO  27   8.123   2.667  -3.478
  182   1HD   PRO  27          HD2       PRO  27   7.412   0.038  -3.382
  183   2HD   PRO  27          HD1       PRO  27   8.281   0.864  -2.071
  184    H    ASN  28           HN       ASN  28   4.115  -0.239  -2.599
  185    HA   ASN  28           HA       ASN  28   2.500   1.088  -4.665
  186   1HB   ASN  28          HB2       ASN  28   3.993  -0.703  -5.409
  187   2HB   ASN  28          HB1       ASN  28   3.211  -1.825  -4.302
  188   1HD2  ASN  28          HD21      ASN  28   2.607  -3.195  -5.972
  189   2HD2  ASN  28          HD22      ASN  28   1.344  -2.782  -7.075
  190    H    ALA  29           HN       ALA  29   0.576   1.670  -3.876
  191    HA   ALA  29           HA       ALA  29  -1.117  -0.339  -2.587
  192   1HB   ALA  29          HB1       ALA  29  -1.337   2.233  -1.219
  193   2HB   ALA  29          HB2       ALA  29   0.246   1.493  -1.033
  194   3HB   ALA  29          HB3       ALA  29  -1.197   0.599  -0.575
  195    H    LYS  30           HN       LYS  30  -3.359   0.382  -2.369
  196    HA   LYS  30           HA       LYS  30  -4.180   2.672  -3.993
  197   1HB   LYS  30          HB2       LYS  30  -4.175   0.798  -5.595
  198   2HB   LYS  30          HB1       LYS  30  -5.198  -0.141  -4.514
  199   1HG   LYS  30          HG2       LYS  30  -6.964   1.589  -4.761
  200   2HG   LYS  30          HG1       LYS  30  -5.933   2.428  -5.919
  201   1HD   LYS  30          HD2       LYS  30  -6.871  -0.429  -6.235
  202   2HD   LYS  30          HD1       LYS  30  -7.706   0.965  -6.916
  203   1HE   LYS  30          HE2       LYS  30  -5.658   1.544  -8.172
  204   2HE   LYS  30          HE1       LYS  30  -4.897   0.093  -7.550
  205   1HZ   LYS  30          HZ1       LYS  30  -6.602  -1.233  -8.645
  206   2HZ   LYS  30          HZ2       LYS  30  -5.780  -0.262  -9.758
  207   3HZ   LYS  30          HZ3       LYS  30  -7.330   0.175  -9.243
  208    H    CYS  31           HN       CYS  31  -6.137   3.551  -3.265
  209    HA   CYS  31           HA       CYS  31  -6.929   2.613  -0.650
  210   1HB   CYS  31          HB2       CYS  31  -8.183   4.617  -0.423
  211   2HB   CYS  31          HB1       CYS  31  -6.622   5.005  -1.107
  212    H    ILE  32           HN       ILE  32  -8.235   0.976  -0.507
  213    HA   ILE  32           HA       ILE  32 -10.843   1.048  -1.841
  214    HB   ILE  32           HB       ILE  32 -10.651  -1.453  -2.257
  215   1HG1  ILE  32          HG12      ILE  32  -7.689  -0.886  -1.931
  216   2HG1  ILE  32          HG11      ILE  32  -8.670  -1.847  -0.830
  217   1HG2  ILE  32          HG21      ILE  32 -10.549   0.209  -4.066
  218   2HG2  ILE  32          HG22      ILE  32  -9.594  -1.228  -4.410
  219   3HG2  ILE  32          HG23      ILE  32  -8.794   0.260  -3.899
  220   1HD1  ILE  32          HD11      ILE  32  -7.441  -2.561  -3.361
  221   2HD1  ILE  32          HD12      ILE  32  -9.121  -3.086  -3.227
  222   3HD1  ILE  32          HD13      ILE  32  -7.944  -3.570  -2.010
  223    H    ASN  33           HN       ASN  33 -12.416  -0.276  -0.671
  224    HA   ASN  33           HA       ASN  33 -13.386  -1.045   1.238
  225   1HB   ASN  33          HB2       ASN  33 -11.848  -2.890   1.090
  226   2HB   ASN  33          HB1       ASN  33 -10.535  -1.959   1.763
  227   1HD2  ASN  33          HD21      ASN  33 -10.292  -1.823   3.944
  228   2HD2  ASN  33          HD22      ASN  33 -11.305  -2.676   5.052
  229    H    LYS  34           HN       LYS  34 -12.124   1.669   0.945
  230    HA   LYS  34           HA       LYS  34 -11.933   3.576   2.056
  231   1HB   LYS  34          HB2       LYS  34 -14.005   2.692   3.227
  232   2HB   LYS  34          HB1       LYS  34 -12.955   2.167   4.536
  233   1HG   LYS  34          HG2       LYS  34 -12.250   4.467   4.907
  234   2HG   LYS  34          HG1       LYS  34 -13.257   4.997   3.565
  235   1HD   LYS  34          HD2       LYS  34 -15.248   4.235   4.749
  236   2HD   LYS  34          HD1       LYS  34 -14.244   3.672   6.090
  237   1HE   LYS  34          HE2       LYS  34 -14.365   6.536   5.140
  238   2HE   LYS  34          HE1       LYS  34 -15.322   5.884   6.467
  239   1HZ   LYS  34          HZ1       LYS  34 -12.360   6.050   6.350
  240   2HZ   LYS  34          HZ2       LYS  34 -13.225   5.296   7.594
  241   3HZ   LYS  34          HZ3       LYS  34 -13.388   6.959   7.335
  242    H    SER  35           HN       SER  35  -9.765   1.622   1.961
  243    HA   SER  35           HA       SER  35  -8.032   2.980   3.834
  244   1HB   SER  35          HB2       SER  35  -7.030   0.764   4.609
  245   2HB   SER  35          HB1       SER  35  -8.617   1.162   5.261
  246    HG   SER  35           HG       SER  35  -8.267  -1.051   4.399
  247    H    CYS  36           HN       CYS  36  -5.818   2.882   3.206
  248    HA   CYS  36           HA       CYS  36  -5.464   2.267   0.381
  249   1HB   CYS  36          HB2       CYS  36  -3.633   3.487   2.435
  250   2HB   CYS  36          HB1       CYS  36  -3.141   3.154   0.775
  251    H    LYS  37           HN       LYS  37  -5.561   0.094   0.160
  252    HA   LYS  37           HA       LYS  37  -4.069  -1.640   1.917
  253   1HB   LYS  37          HB2       LYS  37  -6.299  -2.201   0.890
  254   2HB   LYS  37          HB1       LYS  37  -5.479  -2.366  -0.655
  255   1HG   LYS  37          HG2       LYS  37  -3.977  -4.090   0.556
  256   2HG   LYS  37          HG1       LYS  37  -5.185  -4.026   1.837
  257   1HD   LYS  37          HD2       LYS  37  -5.708  -5.876   0.430
  258   2HD   LYS  37          HD1       LYS  37  -6.922  -4.629   0.139
  259   1HE   LYS  37          HE2       LYS  37  -5.824  -3.971  -1.899
  260   2HE   LYS  37          HE1       LYS  37  -4.467  -5.044  -1.571
  261   1HZ   LYS  37          HZ1       LYS  37  -5.973  -5.991  -3.183
  262   2HZ   LYS  37          HZ2       LYS  37  -7.262  -5.899  -2.093
  263   3HZ   LYS  37          HZ3       LYS  37  -5.956  -6.931  -1.777
  264    H    CYS  38           HN       CYS  38  -2.155  -2.565   1.543
  265    HA   CYS  38           HA       CYS  38  -0.634  -1.744  -0.824
  266   1HB   CYS  38          HB2       CYS  38   0.178  -3.224   1.689
  267   2HB   CYS  38          HB1       CYS  38   1.279  -2.737   0.405
  268    H    TYR  39           HN       TYR  39   0.323  -3.244  -2.236
  269    HA   TYR  39           HA       TYR  39  -1.264  -5.637  -2.619
  270   1HB   TYR  39          HB2       TYR  39   1.069  -4.538  -4.202
  271   2HB   TYR  39          HB1       TYR  39   0.060  -5.895  -4.692
  272    HD1  TYR  39           HD1      TYR  39  -2.153  -5.537  -5.592
  273    HD2  TYR  39           HD2      TYR  39   0.160  -2.269  -4.211
  274    HE1  TYR  39           HE1      TYR  39  -3.678  -3.977  -6.719
  275    HE2  TYR  39           HE2      TYR  39  -1.349  -0.693  -5.315
  276    HH   TYR  39           HH       TYR  39  -3.188  -1.264  -7.633
  277    H    GLY  40           HN       GLY  40   0.788  -5.384  -0.338
  278   1HA   GLY  40          HA2       GLY  40   1.837  -7.051   0.812
  279   2HA   GLY  40          HA1       GLY  40   1.845  -8.055  -0.629
  280    H    CYS  41           HN       CYS  41   4.000  -7.570   1.207
  281    HA   CYS  41           HA       CYS  41   6.048  -7.032  -0.734
  282   1HB   CYS  41          HB2       CYS  41   5.405  -4.734   0.058
  283   2HB   CYS  41          HB1       CYS  41   5.893  -5.198   1.664
  Start of MODEL    2
    1   1H    TRP   1           HT1      TRP   1   8.545   0.917  10.408
    2   2H    TRP   1           HT2      TRP   1   8.503   1.089   8.698
    3   3H    TRP   1           HT3      TRP   1   8.356  -0.458   9.404
    4    HA   TRP   1           HA       TRP   1   6.280   0.252   8.688
    5   1HB   TRP   1          HB2       TRP   1   6.783   0.098  11.613
    6   2HB   TRP   1          HB1       TRP   1   5.152   0.491  11.076
    7    HD1  TRP   1           HD1      TRP   1   7.789  -2.268  10.304
    8    HE1  TRP   1           HE1      TRP   1   6.537  -4.488  10.014
    9    HE3  TRP   1           HE3      TRP   1   3.005  -0.584  10.929
   10    HZ2  TRP   1           HZ2      TRP   1   3.870  -5.414  10.054
   11    HZ3  TRP   1           HZ3      TRP   1   1.160  -2.204  10.795
   12    HH2  TRP   1           HH2      TRP   1   1.585  -4.571  10.366
   13    H    CYS   2           HN       CYS   2   4.488   1.748   8.855
   14    HA   CYS   2           HA       CYS   2   5.478   4.496   8.870
   15   1HB   CYS   2          HB2       CYS   2   3.289   5.031   7.844
   16   2HB   CYS   2          HB1       CYS   2   4.235   3.854   6.962
   17    H    SER   3           HN       SER   3   5.575   5.281  10.897
   18    HA   SER   3           HA       SER   3   3.627   4.792  12.931
   19   1HB   SER   3          HB2       SER   3   4.814   6.886  13.942
   20   2HB   SER   3          HB1       SER   3   5.734   5.399  13.725
   21    HG   SER   3           HG       SER   3   6.765   7.365  12.940
   22    H    THR   4           HN       THR   4   3.891   7.015  10.276
   23    HA   THR   4           HA       THR   4   1.968   8.898  11.307
   24    HB   THR   4           HB       THR   4   2.907   8.751   8.424
   25    HG1  THR   4           HG1      THR   4   4.825   9.617   9.008
   26   1HG2  THR   4          HG21      THR   4   2.877  11.252   8.762
   27   2HG2  THR   4          HG22      THR   4   2.076  10.968  10.305
   28   3HG2  THR   4          HG23      THR   4   1.302  10.469   8.800
   29    H    CYS   5           HN       CYS   5   1.464   5.841  10.343
   30    HA   CYS   5           HA       CYS   5  -0.710   6.274   8.498
   31   1HB   CYS   5          HB2       CYS   5   0.476   3.854   9.824
   32   2HB   CYS   5          HB1       CYS   5  -1.080   3.748   9.019
   33    H    LEU   6           HN       LEU   6  -1.751   7.821   9.976
   34    HA   LEU   6           HA       LEU   6  -3.268   6.622  12.167
   35   1HB   LEU   6          HB2       LEU   6  -3.111   9.422  11.046
   36   2HB   LEU   6          HB1       LEU   6  -4.312   8.963  12.233
   37    HG   LEU   6           HG       LEU   6  -2.579  10.058  13.406
   38   1HD1  LEU   6          HD11      LEU   6  -1.903   8.423  14.996
   39   2HD1  LEU   6          HD12      LEU   6  -2.104   7.112  13.838
   40   3HD1  LEU   6          HD13      LEU   6  -3.515   7.991  14.433
   41   1HD2  LEU   6          HD21      LEU   6  -0.256   9.496  13.302
   42   2HD2  LEU   6          HD22      LEU   6  -0.825   9.791  11.661
   43   3HD2  LEU   6          HD23      LEU   6  -0.572   8.139  12.224
   44    H    ASP   7           HN       ASP   7  -4.132   8.574   9.310
   45    HA   ASP   7           HA       ASP   7  -6.160   6.616   8.574
   46   1HB   ASP   7          HB2       ASP   7  -7.471   7.949  10.072
   47   2HB   ASP   7          HB1       ASP   7  -6.857   9.447   9.374
   48    H    LEU   8           HN       LEU   8  -6.040   6.366   6.445
   49    HA   LEU   8           HA       LEU   8  -5.343   8.697   4.758
   50   1HB   LEU   8          HB2       LEU   8  -4.345   5.852   4.453
   51   2HB   LEU   8          HB1       LEU   8  -4.148   7.104   3.249
   52    HG   LEU   8           HG       LEU   8  -2.076   6.941   4.295
   53   1HD1  LEU   8          HD11      LEU   8  -1.722   9.089   5.303
   54   2HD1  LEU   8          HD12      LEU   8  -3.436   9.269   5.624
   55   3HD1  LEU   8          HD13      LEU   8  -2.854   9.236   3.967
   56   1HD2  LEU   8          HD21      LEU   8  -3.127   7.352   7.064
   57   2HD2  LEU   8          HD22      LEU   8  -1.616   6.650   6.517
   58   3HD2  LEU   8          HD23      LEU   8  -3.111   5.737   6.358
   59    H    ALA   9           HN       ALA   9  -7.885   7.425   5.556
   60    HA   ALA   9           HA       ALA   9  -8.924   5.652   3.804
   61   1HB   ALA   9          HB1       ALA   9 -11.133   6.408   4.495
   62   2HB   ALA   9          HB2       ALA   9 -10.423   7.894   5.127
   63   3HB   ALA   9          HB3       ALA   9 -10.017   6.342   5.857
   64    H    CYS  10           HN       CYS  10  -8.078   6.170   1.733
   65    HA   CYS  10           HA       CYS  10  -8.015   7.053  -0.302
   66   1HB   CYS  10          HB2       CYS  10 -10.917   7.249   0.345
   67   2HB   CYS  10          HB1       CYS  10 -10.354   7.873  -1.185
   68    H    THR  11           HN       THR  11  -6.966   8.694   1.491
   69    HA   THR  11           HA       THR  11  -7.919  11.398   0.953
   70    HB   THR  11           HB       THR  11  -6.788  10.871   3.127
   71    HG1  THR  11           HG1      THR  11  -5.317  12.749   1.533
   72   1HG2  THR  11          HG21      THR  11  -5.127   9.249   2.176
   73   2HG2  THR  11          HG22      THR  11  -4.443  10.468   3.241
   74   3HG2  THR  11          HG23      THR  11  -4.260  10.629   1.502
   75    H    GLY  12           HN       GLY  12  -6.130   8.982  -0.564
   76   1HA   GLY  12          HA2       GLY  12  -5.825   9.825  -2.978
   77   2HA   GLY  12          HA1       GLY  12  -4.575  10.816  -2.234
   78    H    SER  13           HN       SER  13  -4.681   8.355  -4.128
   79    HA   SER  13           HA       SER  13  -3.287   6.271  -2.791
   80   1HB   SER  13          HB2       SER  13  -2.571   5.751  -5.260
   81   2HB   SER  13          HB1       SER  13  -4.266   5.616  -4.793
   82    HG   SER  13           HG       SER  13  -3.004   7.654  -6.274
   83    H    LYS  14           HN       LYS  14  -2.267   9.163  -4.553
   84    HA   LYS  14           HA       LYS  14   0.496   8.755  -4.584
   85   1HB   LYS  14          HB2       LYS  14  -1.087  11.289  -4.404
   86   2HB   LYS  14          HB1       LYS  14   0.647  11.248  -4.689
   87   1HG   LYS  14          HG2       LYS  14  -1.388   9.943  -6.489
   88   2HG   LYS  14          HG1       LYS  14  -0.763  11.579  -6.712
   89   1HD   LYS  14          HD2       LYS  14   1.534  10.629  -6.836
   90   2HD   LYS  14          HD1       LYS  14   0.827   9.041  -6.747
   91   1HE   LYS  14          HE2       LYS  14   0.210  11.054  -8.882
   92   2HE   LYS  14          HE1       LYS  14   1.366   9.737  -9.050
   93   1HZ   LYS  14          HZ1       LYS  14  -0.709   9.122 -10.040
   94   2HZ   LYS  14          HZ2       LYS  14  -1.559   9.461  -8.621
   95   3HZ   LYS  14          HZ3       LYS  14  -0.469   8.166  -8.666
   96    H    ASP  15           HN       ASP  15  -1.645  10.051  -2.145
   97    HA   ASP  15           HA       ASP  15   0.398  10.818  -0.312
   98   1HB   ASP  15          HB2       ASP  15  -2.178  11.440  -0.440
   99   2HB   ASP  15          HB1       ASP  15  -2.363  10.033   0.598
  100    H    CYS  16           HN       CYS  16  -1.659   7.963  -0.709
  101    HA   CYS  16           HA       CYS  16  -0.851   6.531   1.556
  102   1HB   CYS  16          HB2       CYS  16  -2.180   5.887  -1.016
  103   2HB   CYS  16          HB1       CYS  16  -1.445   4.530  -0.192
  104    H    TYR  17           HN       TYR  17   0.707   6.788  -1.604
  105    HA   TYR  17           HA       TYR  17   2.261   4.527  -1.605
  106   1HB   TYR  17          HB2       TYR  17   3.005   7.290  -2.572
  107   2HB   TYR  17          HB1       TYR  17   3.933   5.843  -2.955
  108    HD1  TYR  17           HD1      TYR  17   2.446   7.859  -4.828
  109    HD2  TYR  17           HD2      TYR  17   1.472   3.994  -3.326
  110    HE1  TYR  17           HE1      TYR  17   1.024   7.425  -6.786
  111    HE2  TYR  17           HE2      TYR  17   0.062   3.580  -5.273
  112    HH   TYR  17           HH       TYR  17  -1.243   5.576  -7.059
  113    H    ALA  18           HN       ALA  18   3.149   7.602  -0.053
  114    HA   ALA  18           HA       ALA  18   5.710   6.753   0.737
  115   1HB   ALA  18          HB1       ALA  18   5.150   8.657   2.598
  116   2HB   ALA  18          HB2       ALA  18   3.983   9.048   1.335
  117   3HB   ALA  18          HB3       ALA  18   5.696   8.963   0.953
  118    HA   PRO  19           HA       PRO  19   3.818   5.747   5.188
  119   1HB   PRO  19          HB2       PRO  19   1.019   5.149   4.296
  120   2HB   PRO  19          HB1       PRO  19   1.626   5.850   5.795
  121   1HG   PRO  19          HG2       PRO  19   0.486   7.384   3.980
  122   2HG   PRO  19          HG1       PRO  19   1.887   7.944   4.914
  123   1HD   PRO  19          HD2       PRO  19   1.761   6.982   2.111
  124   2HD   PRO  19          HD1       PRO  19   2.719   8.271   2.810
  125    H    CYS  20           HN       CYS  20   2.259   4.190   2.370
  126    HA   CYS  20           HA       CYS  20   2.315   1.575   3.405
  127   1HB   CYS  20          HB2       CYS  20   0.948   2.156   1.475
  128   2HB   CYS  20          HB1       CYS  20   2.390   2.491   0.524
  129    H    ARG  21           HN       ARG  21   4.633   3.299   1.330
  130    HA   ARG  21           HA       ARG  21   6.474   1.181   1.059
  131   1HB   ARG  21          HB2       ARG  21   6.462   3.250  -0.306
  132   2HB   ARG  21          HB1       ARG  21   7.040   4.148   1.067
  133   1HG   ARG  21          HG2       ARG  21   9.072   2.736   1.093
  134   2HG   ARG  21          HG1       ARG  21   8.489   1.924  -0.360
  135   1HD   ARG  21          HD2       ARG  21   8.507   4.070  -1.549
  136   2HD   ARG  21          HD1       ARG  21   9.085   4.851  -0.078
  137    HE   ARG  21           HE       ARG  21  10.667   2.681  -1.291
  138   1HH1  ARG  21          HH11      ARG  21  10.341   6.103  -0.527
  139   2HH1  ARG  21          HH12      ARG  21  11.995   6.432  -0.849
  140   1HH2  ARG  21          HH21      ARG  21  12.843   3.159  -1.712
  141   2HH2  ARG  21          HH22      ARG  21  13.419   4.782  -1.525
  142    H    LYS  22           HN       LYS  22   6.191   3.789   3.405
  143    HA   LYS  22           HA       LYS  22   8.537   3.182   4.868
  144   1HB   LYS  22          HB2       LYS  22   7.291   5.311   4.926
  145   2HB   LYS  22          HB1       LYS  22   5.993   4.531   5.809
  146   1HG   LYS  22          HG2       LYS  22   7.479   4.093   7.675
  147   2HG   LYS  22          HG1       LYS  22   8.833   4.801   6.795
  148   1HD   LYS  22          HD2       LYS  22   6.303   6.256   7.597
  149   2HD   LYS  22          HD1       LYS  22   7.852   6.363   8.432
  150   1HE   LYS  22          HE2       LYS  22   7.381   7.177   5.555
  151   2HE   LYS  22          HE1       LYS  22   7.447   8.261   6.929
  152   1HZ   LYS  22          HZ1       LYS  22   9.550   8.257   5.862
  153   2HZ   LYS  22          HZ2       LYS  22   9.662   6.575   5.921
  154   3HZ   LYS  22          HZ3       LYS  22   9.731   7.477   7.352
  155    H    GLN  23           HN       GLN  23   5.317   1.836   4.872
  156    HA   GLN  23           HA       GLN  23   5.580   0.518   7.386
  157   1HB   GLN  23          HB2       GLN  23   3.416   1.218   6.539
  158   2HB   GLN  23          HB1       GLN  23   3.576   0.118   5.217
  159   1HG   GLN  23          HG2       GLN  23   3.628  -1.763   6.817
  160   2HG   GLN  23          HG1       GLN  23   3.398  -0.612   8.131
  161   1HE2  GLN  23          HE21      GLN  23   1.800  -0.292   4.999
  162   2HE2  GLN  23          HE22      GLN  23   0.237  -0.637   5.603
  163    H    THR  24           HN       THR  24   5.071  -0.792   4.124
  164    HA   THR  24           HA       THR  24   5.998  -3.379   5.008
  165    HB   THR  24           HB       THR  24   5.376  -4.105   2.708
  166    HG1  THR  24           HG1      THR  24   4.768  -2.631   1.206
  167   1HG2  THR  24          HG21      THR  24   3.297  -2.360   4.032
  168   2HG2  THR  24          HG22      THR  24   3.652  -4.039   4.442
  169   3HG2  THR  24          HG23      THR  24   2.988  -3.639   2.858
  170    H    GLY  25           HN       GLY  25   7.213  -0.759   3.012
  171   1HA   GLY  25          HA2       GLY  25   9.679  -0.676   2.772
  172   2HA   GLY  25          HA1       GLY  25   9.617  -2.389   2.383
  173    H    CYS  26           HN       CYS  26   6.948  -1.762   0.984
  174    HA   CYS  26           HA       CYS  26   8.121  -0.682  -1.480
  175   1HB   CYS  26          HB2       CYS  26   6.232  -3.006  -1.135
  176   2HB   CYS  26          HB1       CYS  26   6.617  -2.256  -2.674
  177    HA   PRO  27           HA       PRO  27   4.763   2.144  -1.175
  178   1HB   PRO  27          HB2       PRO  27   5.211   3.573  -3.373
  179   2HB   PRO  27          HB1       PRO  27   6.424   3.471  -2.108
  180   1HG   PRO  27          HG2       PRO  27   6.315   2.036  -4.714
  181   2HG   PRO  27          HG1       PRO  27   7.705   2.757  -3.885
  182   1HD   PRO  27          HD2       PRO  27   7.003   0.055  -3.835
  183   2HD   PRO  27          HD1       PRO  27   8.099   0.872  -2.704
  184    H    ASN  28           HN       ASN  28   4.257  -0.509  -2.894
  185    HA   ASN  28           HA       ASN  28   2.339   0.475  -4.817
  186   1HB   ASN  28          HB2       ASN  28   1.848  -1.999  -5.152
  187   2HB   ASN  28          HB1       ASN  28   3.458  -1.441  -5.549
  188   1HD2  ASN  28          HD21      ASN  28   5.208  -2.192  -4.400
  189   2HD2  ASN  28          HD22      ASN  28   5.059  -3.495  -3.275
  190    H    ALA  29           HN       ALA  29   0.773   1.559  -3.666
  191    HA   ALA  29           HA       ALA  29  -1.074  -0.178  -2.167
  192   1HB   ALA  29          HB1       ALA  29  -0.697   0.855  -0.264
  193   2HB   ALA  29          HB2       ALA  29  -1.171   2.388  -0.969
  194   3HB   ALA  29          HB3       ALA  29   0.512   1.883  -1.013
  195    H    LYS  30           HN       LYS  30  -3.198   0.437  -2.166
  196    HA   LYS  30           HA       LYS  30  -4.037   2.829  -3.592
  197   1HB   LYS  30          HB2       LYS  30  -3.845   1.145  -5.370
  198   2HB   LYS  30          HB1       LYS  30  -4.926   0.072  -4.505
  199   1HG   LYS  30          HG2       LYS  30  -6.687   1.850  -4.670
  200   2HG   LYS  30          HG1       LYS  30  -5.590   2.764  -5.702
  201   1HD   LYS  30          HD2       LYS  30  -6.332  -0.084  -6.346
  202   2HD   LYS  30          HD1       LYS  30  -7.407   1.248  -6.754
  203   1HE   LYS  30          HE2       LYS  30  -6.032   0.697  -8.654
  204   2HE   LYS  30          HE1       LYS  30  -5.604   2.296  -8.056
  205   1HZ   LYS  30          HZ1       LYS  30  -3.785   0.575  -8.669
  206   2HZ   LYS  30          HZ2       LYS  30  -4.059  -0.030  -7.123
  207   3HZ   LYS  30          HZ3       LYS  30  -3.580   1.579  -7.332
  208    H    CYS  31           HN       CYS  31  -6.125   3.473  -2.925
  209    HA   CYS  31           HA       CYS  31  -6.998   2.087  -0.518
  210   1HB   CYS  31          HB2       CYS  31  -8.151   4.041   0.095
  211   2HB   CYS  31          HB1       CYS  31  -6.598   4.553  -0.534
  212    H    ILE  32           HN       ILE  32  -8.325   0.444  -0.796
  213    HA   ILE  32           HA       ILE  32 -10.407   0.605  -2.877
  214    HB   ILE  32           HB       ILE  32  -9.258  -1.720  -1.334
  215   1HG1  ILE  32          HG12      ILE  32  -8.954  -2.631  -3.665
  216   2HG1  ILE  32          HG11      ILE  32  -9.501  -1.076  -4.285
  217   1HG2  ILE  32          HG21      ILE  32 -11.847  -1.579  -2.851
  218   2HG2  ILE  32          HG22      ILE  32 -11.525  -2.252  -1.250
  219   3HG2  ILE  32          HG23      ILE  32 -10.957  -3.093  -2.684
  220   1HD1  ILE  32          HD11      ILE  32  -7.586   0.014  -3.519
  221   2HD1  ILE  32          HD12      ILE  32  -7.010  -1.512  -4.184
  222   3HD1  ILE  32          HD13      ILE  32  -7.148  -1.311  -2.438
  223    H    ASN  33           HN       ASN  33 -12.335   1.271  -2.259
  224    HA   ASN  33           HA       ASN  33 -14.118   1.788  -1.016
  225   1HB   ASN  33          HB2       ASN  33 -14.192  -0.756  -0.953
  226   2HB   ASN  33          HB1       ASN  33 -13.440  -0.672   0.634
  227   1HD2  ASN  33          HD21      ASN  33 -15.870   1.632  -0.548
  228   2HD2  ASN  33          HD22      ASN  33 -17.076   1.139   0.563
  229    H    LYS  34           HN       LYS  34 -11.995   3.252  -0.409
  230    HA   LYS  34           HA       LYS  34 -11.234   4.742   1.090
  231   1HB   LYS  34          HB2       LYS  34 -13.233   3.522   2.983
  232   2HB   LYS  34          HB1       LYS  34 -12.243   4.911   3.360
  233   1HG   LYS  34          HG2       LYS  34 -14.331   4.739   1.206
  234   2HG   LYS  34          HG1       LYS  34 -14.419   5.641   2.721
  235   1HD   LYS  34          HD2       LYS  34 -12.443   6.982   1.951
  236   2HD   LYS  34          HD1       LYS  34 -12.554   6.123   0.418
  237   1HE   LYS  34          HE2       LYS  34 -13.616   8.221   0.150
  238   2HE   LYS  34          HE1       LYS  34 -14.849   6.962   0.126
  239   1HZ   LYS  34          HZ1       LYS  34 -15.456   8.909   1.467
  240   2HZ   LYS  34          HZ2       LYS  34 -14.162   8.602   2.510
  241   3HZ   LYS  34          HZ3       LYS  34 -15.429   7.487   2.377
  242    H    SER  35           HN       SER  35 -10.945   1.405   1.605
  243    HA   SER  35           HA       SER  35  -9.114   1.663   3.820
  244   1HB   SER  35          HB2       SER  35  -9.861  -0.771   2.180
  245   2HB   SER  35          HB1       SER  35  -8.972  -0.758   3.700
  246    HG   SER  35           HG       SER  35 -11.294  -1.189   3.839
  247    H    CYS  36           HN       CYS  36  -7.196   2.568   3.284
  248    HA   CYS  36           HA       CYS  36  -5.856   2.248   0.799
  249   1HB   CYS  36          HB2       CYS  36  -5.438   4.105   2.383
  250   2HB   CYS  36          HB1       CYS  36  -4.666   2.966   3.474
  251    H    LYS  37           HN       LYS  37  -5.289   0.274   0.087
  252    HA   LYS  37           HA       LYS  37  -4.138  -1.631   2.031
  253   1HB   LYS  37          HB2       LYS  37  -6.440  -2.094   1.133
  254   2HB   LYS  37          HB1       LYS  37  -5.732  -2.271  -0.453
  255   1HG   LYS  37          HG2       LYS  37  -4.587  -3.895   1.778
  256   2HG   LYS  37          HG1       LYS  37  -6.203  -4.309   1.215
  257   1HD   LYS  37          HD2       LYS  37  -3.751  -4.128  -0.527
  258   2HD   LYS  37          HD1       LYS  37  -4.454  -5.618   0.088
  259   1HE   LYS  37          HE2       LYS  37  -6.593  -4.918  -1.091
  260   2HE   LYS  37          HE1       LYS  37  -5.630  -3.667  -1.878
  261   1HZ   LYS  37          HZ1       LYS  37  -4.206  -5.380  -2.797
  262   2HZ   LYS  37          HZ2       LYS  37  -5.817  -5.628  -3.247
  263   3HZ   LYS  37          HZ3       LYS  37  -5.124  -6.585  -2.038
  264    H    CYS  38           HN       CYS  38  -2.195  -2.416   1.622
  265    HA   CYS  38           HA       CYS  38  -0.790  -1.594  -0.795
  266   1HB   CYS  38          HB2       CYS  38   0.154  -3.080   1.657
  267   2HB   CYS  38          HB1       CYS  38   1.189  -2.525   0.346
  268    H    TYR  39           HN       TYR  39   0.135  -3.014  -2.277
  269    HA   TYR  39           HA       TYR  39  -1.236  -5.550  -2.584
  270   1HB   TYR  39          HB2       TYR  39   0.945  -4.265  -4.241
  271   2HB   TYR  39          HB1       TYR  39   0.107  -5.741  -4.662
  272    HD1  TYR  39           HD1      TYR  39  -0.085  -2.114  -4.599
  273    HD2  TYR  39           HD2      TYR  39  -2.284  -5.677  -5.294
  274    HE1  TYR  39           HE1      TYR  39  -1.796  -0.805  -5.757
  275    HE2  TYR  39           HE2      TYR  39  -4.016  -4.378  -6.459
  276    HH   TYR  39           HH       TYR  39  -4.809  -1.821  -6.347
  277    H    GLY  40           HN       GLY  40   1.620  -4.432  -1.088
  278   1HA   GLY  40          HA2       GLY  40   2.453  -6.180   0.454
  279   2HA   GLY  40          HA1       GLY  40   2.696  -7.183  -0.967
  280    H    CYS  41           HN       CYS  41   4.850  -7.386  -0.969
  281    HA   CYS  41           HA       CYS  41   6.412  -5.277  -1.975
  282   1HB   CYS  41          HB2       CYS  41   6.287  -4.564   0.443
  283   2HB   CYS  41          HB1       CYS  41   7.075  -6.071   0.882
  Start of MODEL    3
    1   1H    TRP   1           HT1      TRP   1   5.468  -0.856  15.546
    2   2H    TRP   1           HT2      TRP   1   4.311   0.010  14.623
    3   3H    TRP   1           HT3      TRP   1   5.674   0.820  15.283
    4    HA   TRP   1           HA       TRP   1   7.131  -0.523  13.947
    5   1HB   TRP   1          HB2       TRP   1   5.785  -2.487  13.616
    6   2HB   TRP   1          HB1       TRP   1   4.505  -1.551  12.850
    7    HD1  TRP   1           HD1      TRP   1   4.526  -1.660  10.286
    8    HE1  TRP   1           HE1      TRP   1   6.265  -2.213   8.472
    9    HE3  TRP   1           HE3      TRP   1   8.638  -2.268  13.264
   10    HZ2  TRP   1           HZ2      TRP   1   9.016  -2.816   8.324
   11    HZ3  TRP   1           HZ3      TRP   1  10.786  -2.829  12.203
   12    HH2  TRP   1           HH2      TRP   1  10.968  -3.097   9.787
   13    H    CYS   2           HN       CYS   2   4.052   0.792  12.736
   14    HA   CYS   2           HA       CYS   2   5.495   2.302  10.709
   15   1HB   CYS   2          HB2       CYS   2   3.234   2.953   9.933
   16   2HB   CYS   2          HB1       CYS   2   3.482   1.213  10.008
   17    H    SER   3           HN       SER   3   6.104   4.325  10.930
   18    HA   SER   3           HA       SER   3   5.550   5.826  13.318
   19   1HB   SER   3          HB2       SER   3   7.725   5.910  12.146
   20   2HB   SER   3          HB1       SER   3   6.944   6.660  10.756
   21    HG   SER   3           HG       SER   3   7.985   8.120  12.296
   22    H    THR   4           HN       THR   4   3.886   5.417  10.367
   23    HA   THR   4           HA       THR   4   2.537   8.013  10.674
   24    HB   THR   4           HB       THR   4   1.676   7.467   8.316
   25    HG1  THR   4           HG1      THR   4   2.733   5.880   7.207
   26   1HG2  THR   4          HG21      THR   4   4.637   7.904   8.710
   27   2HG2  THR   4          HG22      THR   4   3.390   9.152   8.744
   28   3HG2  THR   4          HG23      THR   4   3.714   8.270   7.253
   29    H    CYS   5           HN       CYS   5   1.128   5.349   8.899
   30    HA   CYS   5           HA       CYS   5  -0.941   4.481   9.008
   31   1HB   CYS   5          HB2       CYS   5   0.039   4.073  11.830
   32   2HB   CYS   5          HB1       CYS   5  -1.485   3.400  11.267
   33    H    LEU   6           HN       LEU   6  -1.597   6.819   8.657
   34    HA   LEU   6           HA       LEU   6  -3.287   7.765  10.900
   35   1HB   LEU   6          HB2       LEU   6  -2.178   9.274   8.532
   36   2HB   LEU   6          HB1       LEU   6  -3.195   9.963   9.778
   37    HG   LEU   6           HG       LEU   6  -0.419   8.862  10.204
   38   1HD1  LEU   6          HD11      LEU   6  -0.433  10.957   8.941
   39   2HD1  LEU   6          HD12      LEU   6   0.212  11.191  10.564
   40   3HD1  LEU   6          HD13      LEU   6  -1.433  11.707  10.187
   41   1HD2  LEU   6          HD21      LEU   6  -1.770   8.546  12.184
   42   2HD2  LEU   6          HD22      LEU   6  -2.343  10.212  12.101
   43   3HD2  LEU   6          HD23      LEU   6  -0.648   9.875  12.451
   44    H    ASP   7           HN       ASP   7  -5.026   9.351   9.649
   45    HA   ASP   7           HA       ASP   7  -6.789   7.434   8.413
   46   1HB   ASP   7          HB2       ASP   7  -8.463   9.241   8.564
   47   2HB   ASP   7          HB1       ASP   7  -7.661   8.946  10.101
   48    H    LEU   8           HN       LEU   8  -5.157   7.287   6.552
   49    HA   LEU   8           HA       LEU   8  -5.433   9.430   4.572
   50   1HB   LEU   8          HB2       LEU   8  -3.899   6.819   4.450
   51   2HB   LEU   8          HB1       LEU   8  -3.914   8.041   3.206
   52    HG   LEU   8           HG       LEU   8  -1.917   8.477   4.205
   53   1HD1  LEU   8          HD11      LEU   8  -2.094  10.534   5.442
   54   2HD1  LEU   8          HD12      LEU   8  -3.787  10.224   5.800
   55   3HD1  LEU   8          HD13      LEU   8  -3.271  10.520   4.145
   56   1HD2  LEU   8          HD21      LEU   8  -2.237   6.850   6.054
   57   2HD2  LEU   8          HD22      LEU   8  -3.107   8.100   6.925
   58   3HD2  LEU   8          HD23      LEU   8  -1.415   8.332   6.541
   59    H    ALA   9           HN       ALA   9  -7.772   7.909   5.374
   60    HA   ALA   9           HA       ALA   9  -8.475   5.822   3.757
   61   1HB   ALA   9          HB1       ALA   9 -10.302   7.969   4.835
   62   2HB   ALA   9          HB2       ALA   9  -9.749   6.544   5.713
   63   3HB   ALA   9          HB3       ALA   9 -10.787   6.358   4.300
   64    H    CYS  10           HN       CYS  10  -7.666   6.222   1.682
   65    HA   CYS  10           HA       CYS  10  -7.680   6.863  -0.474
   66   1HB   CYS  10          HB2       CYS  10 -10.593   7.069   0.242
   67   2HB   CYS  10          HB1       CYS  10 -10.059   7.597  -1.348
   68    H    THR  11           HN       THR  11  -6.583   8.661   1.129
   69    HA   THR  11           HA       THR  11  -7.602  11.299   0.443
   70    HB   THR  11           HB       THR  11  -6.350  10.894   2.588
   71    HG1  THR  11           HG1      THR  11  -5.036  12.743   0.835
   72   1HG2  THR  11          HG21      THR  11  -4.582   9.445   1.082
   73   2HG2  THR  11          HG22      THR  11  -4.277  10.089   2.674
   74   3HG2  THR  11          HG23      THR  11  -3.738  10.978   1.270
   75    H    GLY  12           HN       GLY  12  -5.754   8.841  -0.984
   76   1HA   GLY  12          HA2       GLY  12  -5.556   9.589  -3.465
   77   2HA   GLY  12          HA1       GLY  12  -4.306  10.627  -2.788
   78    H    SER  13           HN       SER  13  -4.414   8.083  -4.572
   79    HA   SER  13           HA       SER  13  -3.071   6.045  -3.159
   80   1HB   SER  13          HB2       SER  13  -3.021   6.686  -6.117
   81   2HB   SER  13          HB1       SER  13  -2.458   5.177  -5.392
   82    HG   SER  13           HG       SER  13  -4.615   5.027  -6.162
   83    H    LYS  14           HN       LYS  14  -1.839   8.774  -5.103
   84    HA   LYS  14           HA       LYS  14   0.872   8.070  -4.863
   85   1HB   LYS  14          HB2       LYS  14   1.411  10.228  -5.703
   86   2HB   LYS  14          HB1       LYS  14  -0.003   9.624  -6.552
   87   1HG   LYS  14          HG2       LYS  14  -1.440  11.018  -5.116
   88   2HG   LYS  14          HG1       LYS  14  -0.004  11.637  -4.305
   89   1HD   LYS  14          HD2       LYS  14  -0.676  13.243  -5.934
   90   2HD   LYS  14          HD1       LYS  14   0.816  12.488  -6.496
   91   1HE   LYS  14          HE2       LYS  14  -0.521  11.008  -7.956
   92   2HE   LYS  14          HE1       LYS  14  -1.985  11.819  -7.404
   93   1HZ   LYS  14          HZ1       LYS  14  -1.141  13.877  -8.344
   94   2HZ   LYS  14          HZ2       LYS  14  -1.229  12.667  -9.521
   95   3HZ   LYS  14          HZ3       LYS  14   0.268  13.091  -8.861
   96    H    ASP  15           HN       ASP  15  -1.315   9.497  -2.672
   97    HA   ASP  15           HA       ASP  15   0.690  10.623  -0.925
   98   1HB   ASP  15          HB2       ASP  15  -1.753  11.394  -1.132
   99   2HB   ASP  15          HB1       ASP  15  -2.186   9.955  -0.221
  100    H    CYS  16           HN       CYS  16  -1.557   7.865  -0.880
  101    HA   CYS  16           HA       CYS  16  -0.613   6.727   1.511
  102   1HB   CYS  16          HB2       CYS  16  -2.100   5.468  -0.799
  103   2HB   CYS  16          HB1       CYS  16  -1.826   4.693   0.759
  104    H    TYR  17           HN       TYR  17   0.804   6.689  -1.629
  105    HA   TYR  17           HA       TYR  17   2.228   4.286  -1.618
  106   1HB   TYR  17          HB2       TYR  17   2.958   7.037  -2.634
  107   2HB   TYR  17          HB1       TYR  17   3.997   5.640  -2.889
  108    HD1  TYR  17           HD1      TYR  17   3.030   7.244  -5.138
  109    HD2  TYR  17           HD2      TYR  17   1.203   3.907  -3.212
  110    HE1  TYR  17           HE1      TYR  17   1.821   6.701  -7.203
  111    HE2  TYR  17           HE2      TYR  17   0.007   3.377  -5.264
  112    HH   TYR  17           HH       TYR  17  -0.655   5.194  -7.558
  113    H    ALA  18           HN       ALA  18   2.920   7.348   0.005
  114    HA   ALA  18           HA       ALA  18   5.508   6.632   0.873
  115   1HB   ALA  18          HB1       ALA  18   4.791   8.516   2.691
  116   2HB   ALA  18          HB2       ALA  18   3.646   8.844   1.391
  117   3HB   ALA  18          HB3       ALA  18   5.372   8.842   1.062
  118    HA   PRO  19           HA       PRO  19   3.470   5.491   5.202
  119   1HB   PRO  19          HB2       PRO  19   0.725   4.825   4.217
  120   2HB   PRO  19          HB1       PRO  19   1.235   5.529   5.753
  121   1HG   PRO  19          HG2       PRO  19   0.113   7.028   3.873
  122   2HG   PRO  19          HG1       PRO  19   1.450   7.653   4.857
  123   1HD   PRO  19          HD2       PRO  19   1.481   6.688   2.056
  124   2HD   PRO  19          HD1       PRO  19   2.350   8.008   2.792
  125    H    CYS  20           HN       CYS  20   2.246   4.035   2.200
  126    HA   CYS  20           HA       CYS  20   2.241   1.364   3.116
  127   1HB   CYS  20          HB2       CYS  20   1.080   2.138   1.070
  128   2HB   CYS  20          HB1       CYS  20   2.638   2.371   0.286
  129    H    ARG  21           HN       ARG  21   4.722   3.348   1.525
  130    HA   ARG  21           HA       ARG  21   6.677   1.312   1.272
  131   1HB   ARG  21          HB2       ARG  21   6.782   3.518   0.130
  132   2HB   ARG  21          HB1       ARG  21   7.111   4.286   1.672
  133   1HG   ARG  21          HG2       ARG  21   9.155   2.806   1.838
  134   2HG   ARG  21          HG1       ARG  21   8.834   2.327   0.172
  135   1HD   ARG  21          HD2       ARG  21   9.351   5.114   1.176
  136   2HD   ARG  21          HD1       ARG  21  10.489   4.109   0.306
  137    HE   ARG  21           HE       ARG  21   8.009   5.298  -0.785
  138   1HH1  ARG  21          HH11      ARG  21  11.157   3.823  -1.322
  139   2HH1  ARG  21          HH12      ARG  21  11.188   4.243  -2.986
  140   1HH2  ARG  21          HH21      ARG  21   8.084   5.850  -2.995
  141   2HH2  ARG  21          HH22      ARG  21   9.453   5.386  -3.950
  142    H    LYS  22           HN       LYS  22   5.869   3.603   3.837
  143    HA   LYS  22           HA       LYS  22   7.998   2.994   5.568
  144   1HB   LYS  22          HB2       LYS  22   5.517   4.514   5.672
  145   2HB   LYS  22          HB1       LYS  22   5.748   3.645   7.174
  146   1HG   LYS  22          HG2       LYS  22   7.684   5.570   5.915
  147   2HG   LYS  22          HG1       LYS  22   6.650   5.863   7.318
  148   1HD   LYS  22          HD2       LYS  22   7.834   3.895   8.417
  149   2HD   LYS  22          HD1       LYS  22   8.984   3.969   7.082
  150   1HE   LYS  22          HE2       LYS  22   8.384   6.162   9.054
  151   2HE   LYS  22          HE1       LYS  22   9.832   5.160   9.008
  152   1HZ   LYS  22          HZ1       LYS  22   8.978   7.164   6.995
  153   2HZ   LYS  22          HZ2       LYS  22  10.271   6.096   6.762
  154   3HZ   LYS  22          HZ3       LYS  22  10.327   7.235   8.009
  155    H    GLN  23           HN       GLN  23   4.822   1.535   5.142
  156    HA   GLN  23           HA       GLN  23   5.030  -0.145   7.449
  157   1HB   GLN  23          HB2       GLN  23   3.157  -0.186   5.080
  158   2HB   GLN  23          HB1       GLN  23   2.977  -1.220   6.495
  159   1HG   GLN  23          HG2       GLN  23   2.579   0.615   7.914
  160   2HG   GLN  23          HG1       GLN  23   3.027   1.778   6.680
  161   1HE2  GLN  23          HE21      GLN  23   0.561   1.533   8.173
  162   2HE2  GLN  23          HE22      GLN  23  -0.701   1.369   7.040
  163    H    THR  24           HN       THR  24   5.077  -0.903   3.941
  164    HA   THR  24           HA       THR  24   5.993  -3.605   4.629
  165    HB   THR  24           HB       THR  24   5.424  -4.182   2.315
  166    HG1  THR  24           HG1      THR  24   4.842  -2.649   0.861
  167   1HG2  THR  24          HG21      THR  24   3.261  -2.530   3.628
  168   2HG2  THR  24          HG22      THR  24   3.635  -4.216   3.993
  169   3HG2  THR  24          HG23      THR  24   3.024  -3.773   2.400
  170    H    GLY  25           HN       GLY  25   7.168  -0.715   3.010
  171   1HA   GLY  25          HA2       GLY  25   9.563  -0.443   2.733
  172   2HA   GLY  25          HA1       GLY  25   9.682  -2.154   2.359
  173    H    CYS  26           HN       CYS  26   6.991  -1.743   0.858
  174    HA   CYS  26           HA       CYS  26   8.181  -0.613  -1.575
  175   1HB   CYS  26          HB2       CYS  26   6.310  -2.941  -1.245
  176   2HB   CYS  26          HB1       CYS  26   6.604  -2.170  -2.785
  177    HA   PRO  27           HA       PRO  27   4.848   2.274  -1.097
  178   1HB   PRO  27          HB2       PRO  27   5.391   3.853  -3.185
  179   2HB   PRO  27          HB1       PRO  27   6.518   3.707  -1.842
  180   1HG   PRO  27          HG2       PRO  27   6.582   2.311  -4.487
  181   2HG   PRO  27          HG1       PRO  27   7.889   3.164  -3.649
  182   1HD   PRO  27          HD2       PRO  27   7.578   0.460  -3.560
  183   2HD   PRO  27          HD1       PRO  27   8.313   1.404  -2.247
  184    H    ASN  28           HN       ASN  28   4.426  -0.315  -2.834
  185    HA   ASN  28           HA       ASN  28   2.639   0.725  -4.877
  186   1HB   ASN  28          HB2       ASN  28   3.405  -2.109  -4.161
  187   2HB   ASN  28          HB1       ASN  28   2.361  -1.650  -5.504
  188   1HD2  ASN  28          HD21      ASN  28   4.901  -3.070  -5.570
  189   2HD2  ASN  28          HD22      ASN  28   5.944  -2.111  -6.558
  190    H    ALA  29           HN       ALA  29   0.947   1.621  -3.780
  191    HA   ALA  29           HA       ALA  29  -0.746  -0.249  -2.239
  192   1HB   ALA  29          HB1       ALA  29  -0.532   1.091  -0.501
  193   2HB   ALA  29          HB2       ALA  29  -1.362   2.356  -1.398
  194   3HB   ALA  29          HB3       ALA  29   0.398   2.264  -1.426
  195    H    LYS  30           HN       LYS  30  -2.946  -0.053  -2.468
  196    HA   LYS  30           HA       LYS  30  -3.959   1.790  -4.518
  197   1HB   LYS  30          HB2       LYS  30  -3.555  -0.483  -5.518
  198   2HB   LYS  30          HB1       LYS  30  -4.694  -1.151  -4.362
  199   1HG   LYS  30          HG2       LYS  30  -5.812  -0.849  -6.436
  200   2HG   LYS  30          HG1       LYS  30  -6.444   0.341  -5.302
  201   1HD   LYS  30          HD2       LYS  30  -5.013   2.059  -6.291
  202   2HD   LYS  30          HD1       LYS  30  -4.337   0.868  -7.405
  203   1HE   LYS  30          HE2       LYS  30  -7.231   1.709  -7.258
  204   2HE   LYS  30          HE1       LYS  30  -6.059   2.253  -8.456
  205   1HZ   LYS  30          HZ1       LYS  30  -7.130  -0.483  -8.096
  206   2HZ   LYS  30          HZ2       LYS  30  -5.794  -0.145  -9.080
  207   3HZ   LYS  30          HZ3       LYS  30  -7.301   0.532  -9.433
  208    H    CYS  31           HN       CYS  31  -5.769   2.809  -3.820
  209    HA   CYS  31           HA       CYS  31  -6.689   2.101  -1.185
  210   1HB   CYS  31          HB2       CYS  31  -6.288   4.472  -2.003
  211   2HB   CYS  31          HB1       CYS  31  -7.813   4.326  -2.871
  212    H    ILE  32           HN       ILE  32  -8.123   0.603  -0.913
  213    HA   ILE  32           HA       ILE  32 -10.370   0.209  -2.748
  214    HB   ILE  32           HB       ILE  32 -11.089  -1.548  -1.194
  215   1HG1  ILE  32          HG12      ILE  32  -8.679  -0.724   0.435
  216   2HG1  ILE  32          HG11      ILE  32 -10.358  -0.647   0.930
  217   1HG2  ILE  32          HG21      ILE  32  -9.451  -2.022  -2.999
  218   2HG2  ILE  32          HG22      ILE  32  -9.338  -3.130  -1.639
  219   3HG2  ILE  32          HG23      ILE  32  -8.152  -1.835  -1.821
  220   1HD1  ILE  32          HD11      ILE  32  -8.614  -3.053   0.558
  221   2HD1  ILE  32          HD12      ILE  32 -10.370  -3.165   0.699
  222   3HD1  ILE  32          HD13      ILE  32  -9.419  -2.488   2.020
  223    H    ASN  33           HN       ASN  33 -12.534   0.014  -1.227
  224    HA   ASN  33           HA       ASN  33 -13.236   2.628  -0.785
  225   1HB   ASN  33          HB2       ASN  33 -15.260   1.807   0.344
  226   2HB   ASN  33          HB1       ASN  33 -14.907   0.943  -1.144
  227   1HD2  ASN  33          HD21      ASN  33 -16.522   0.180   1.191
  228   2HD2  ASN  33          HD22      ASN  33 -15.856  -1.322   1.724
  229    H    LYS  34           HN       LYS  34 -12.028   3.878   0.464
  230    HA   LYS  34           HA       LYS  34 -11.374   4.994   2.298
  231   1HB   LYS  34          HB2       LYS  34 -13.116   3.060   3.816
  232   2HB   LYS  34          HB1       LYS  34 -12.446   4.545   4.458
  233   1HG   LYS  34          HG2       LYS  34 -13.733   5.847   2.864
  234   2HG   LYS  34          HG1       LYS  34 -14.421   4.368   2.194
  235   1HD   LYS  34          HD2       LYS  34 -14.738   5.349   5.035
  236   2HD   LYS  34          HD1       LYS  34 -15.958   5.442   3.766
  237   1HE   LYS  34          HE2       LYS  34 -14.805   2.906   4.944
  238   2HE   LYS  34          HE1       LYS  34 -16.397   3.575   5.249
  239   1HZ   LYS  34          HZ1       LYS  34 -15.391   2.483   2.689
  240   2HZ   LYS  34          HZ2       LYS  34 -16.848   3.334   2.828
  241   3HZ   LYS  34          HZ3       LYS  34 -16.636   1.877   3.656
  242    H    SER  35           HN       SER  35  -9.842   2.602   1.371
  243    HA   SER  35           HA       SER  35  -8.098   2.444   3.689
  244   1HB   SER  35          HB2       SER  35  -9.342  -0.059   2.559
  245   2HB   SER  35          HB1       SER  35  -8.046  -0.027   3.732
  246    HG   SER  35           HG       SER  35  -9.429   0.799   5.225
  247    H    CYS  36           HN       CYS  36  -6.187   2.967   2.811
  248    HA   CYS  36           HA       CYS  36  -5.509   2.245   0.085
  249   1HB   CYS  36          HB2       CYS  36  -3.949   3.629   2.259
  250   2HB   CYS  36          HB1       CYS  36  -3.310   3.291   0.653
  251    H    LYS  37           HN       LYS  37  -5.463   0.033  -0.020
  252    HA   LYS  37           HA       LYS  37  -3.936  -1.479   1.942
  253   1HB   LYS  37          HB2       LYS  37  -6.107  -2.291   1.088
  254   2HB   LYS  37          HB1       LYS  37  -5.414  -2.393  -0.522
  255   1HG   LYS  37          HG2       LYS  37  -3.706  -4.021   0.505
  256   2HG   LYS  37          HG1       LYS  37  -4.748  -4.020   1.923
  257   1HD   LYS  37          HD2       LYS  37  -5.216  -5.919   0.479
  258   2HD   LYS  37          HD1       LYS  37  -6.604  -4.832   0.552
  259   1HE   LYS  37          HE2       LYS  37  -6.123  -3.946  -1.606
  260   2HE   LYS  37          HE1       LYS  37  -4.546  -4.735  -1.657
  261   1HZ   LYS  37          HZ1       LYS  37  -6.161  -5.883  -3.012
  262   2HZ   LYS  37          HZ2       LYS  37  -7.184  -6.100  -1.684
  263   3HZ   LYS  37          HZ3       LYS  37  -5.677  -6.871  -1.727
  264    H    CYS  38           HN       CYS  38  -2.056  -2.580   1.558
  265    HA   CYS  38           HA       CYS  38  -0.523  -1.731  -0.796
  266   1HB   CYS  38          HB2       CYS  38   0.278  -3.162   1.740
  267   2HB   CYS  38          HB1       CYS  38   1.393  -2.746   0.442
  268    H    TYR  39           HN       TYR  39   0.424  -3.159  -2.235
  269    HA   TYR  39           HA       TYR  39  -0.916  -5.719  -2.566
  270   1HB   TYR  39          HB2       TYR  39   1.300  -4.370  -4.121
  271   2HB   TYR  39          HB1       TYR  39   0.614  -5.931  -4.552
  272    HD1  TYR  39           HD1      TYR  39   0.248  -2.362  -4.808
  273    HD2  TYR  39           HD2      TYR  39  -1.837  -6.061  -5.160
  274    HE1  TYR  39           HE1      TYR  39  -1.489  -1.251  -6.137
  275    HE2  TYR  39           HE2      TYR  39  -3.576  -4.957  -6.492
  276    HH   TYR  39           HH       TYR  39  -4.452  -2.431  -6.664
  277    H    GLY  40           HN       GLY  40   1.854  -4.527  -0.967
  278   1HA   GLY  40          HA2       GLY  40   2.875  -6.021   0.608
  279   2HA   GLY  40          HA1       GLY  40   2.851  -7.287  -0.607
  280    H    CYS  41           HN       CYS  41   5.159  -7.150   0.313
  281    HA   CYS  41           HA       CYS  41   6.780  -5.845  -1.724
  282   1HB   CYS  41          HB2       CYS  41   6.518  -4.191   0.179
  283   2HB   CYS  41          HB1       CYS  41   7.324  -5.343   1.216
  Start of MODEL    4
    1   1H    TRP   1           HT1      TRP   1   0.884  -3.220   8.114
    2   2H    TRP   1           HT2      TRP   1   1.247  -4.276   9.411
    3   3H    TRP   1           HT3      TRP   1   2.293  -2.961   9.047
    4    HA   TRP   1           HA       TRP   1  -0.526  -2.634   9.782
    5   1HB   TRP   1          HB2       TRP   1   0.320  -2.040  12.076
    6   2HB   TRP   1          HB1       TRP   1   0.450  -3.740  11.657
    7    HD1  TRP   1           HD1      TRP   1   3.057  -4.485  10.778
    8    HE1  TRP   1           HE1      TRP   1   5.303  -3.776  11.816
    9    HE3  TRP   1           HE3      TRP   1   1.506  -0.325  13.317
   10    HZ2  TRP   1           HZ2      TRP   1   6.284  -1.740  13.504
   11    HZ3  TRP   1           HZ3      TRP   1   3.160   0.940  14.625
   12    HH2  TRP   1           HH2      TRP   1   5.497   0.248  14.717
   13    H    CYS   2           HN       CYS   2  -0.694  -0.937   8.291
   14    HA   CYS   2           HA       CYS   2   1.106   1.360   8.651
   15   1HB   CYS   2          HB2       CYS   2   0.492   0.735   6.350
   16   2HB   CYS   2          HB1       CYS   2  -1.207   1.005   6.730
   17    H    SER   3           HN       SER   3   0.522   1.921  10.748
   18    HA   SER   3           HA       SER   3  -2.116   2.270  11.656
   19   1HB   SER   3          HB2       SER   3   0.373   3.677  12.657
   20   2HB   SER   3          HB1       SER   3  -1.117   3.372  13.556
   21    HG   SER   3           HG       SER   3   0.436   1.813  14.071
   22    H    THR   4           HN       THR   4  -0.013   4.351   9.792
   23    HA   THR   4           HA       THR   4  -1.540   6.742  10.298
   24    HB   THR   4           HB       THR   4  -0.112   7.594   8.292
   25    HG1  THR   4           HG1      THR   4   0.562   5.730   7.368
   26   1HG2  THR   4          HG21      THR   4   1.267   6.586  10.780
   27   2HG2  THR   4          HG22      THR   4   0.402   8.117  10.620
   28   3HG2  THR   4          HG23      THR   4   1.869   7.830   9.684
   29    H    CYS   5           HN       CYS   5  -1.957   4.042   8.276
   30    HA   CYS   5           HA       CYS   5  -3.237   5.445   6.123
   31   1HB   CYS   5          HB2       CYS   5  -2.937   2.511   6.749
   32   2HB   CYS   5          HB1       CYS   5  -3.800   3.108   5.338
   33    H    LEU   6           HN       LEU   6  -4.282   4.987   9.179
   34    HA   LEU   6           HA       LEU   6  -6.927   4.014   8.630
   35   1HB   LEU   6          HB2       LEU   6  -5.787   3.638  10.795
   36   2HB   LEU   6          HB1       LEU   6  -5.828   5.365  11.098
   37    HG   LEU   6           HG       LEU   6  -8.326   5.269  11.055
   38   1HD1  LEU   6          HD11      LEU   6  -8.628   3.302   9.673
   39   2HD1  LEU   6          HD12      LEU   6  -9.410   3.070  11.231
   40   3HD1  LEU   6          HD13      LEU   6  -7.862   2.292  10.899
   41   1HD2  LEU   6          HD21      LEU   6  -7.008   3.432  13.053
   42   2HD2  LEU   6          HD22      LEU   6  -8.572   4.229  13.241
   43   3HD2  LEU   6          HD23      LEU   6  -7.097   5.191  13.166
   44    H    ASP   7           HN       ASP   7  -5.328   7.124   8.806
   45    HA   ASP   7           HA       ASP   7  -7.946   8.460   8.468
   46   1HB   ASP   7          HB2       ASP   7  -5.310   9.440   9.553
   47   2HB   ASP   7          HB1       ASP   7  -6.556  10.559   9.014
   48    H    LEU   8           HN       LEU   8  -6.303   7.017   6.419
   49    HA   LEU   8           HA       LEU   8  -5.886   9.272   4.577
   50   1HB   LEU   8          HB2       LEU   8  -4.371   6.794   5.074
   51   2HB   LEU   8          HB1       LEU   8  -4.602   7.185   3.397
   52    HG   LEU   8           HG       LEU   8  -3.531   9.358   3.716
   53   1HD1  LEU   8          HD11      LEU   8  -3.625   8.559   6.563
   54   2HD1  LEU   8          HD12      LEU   8  -3.802  10.133   5.812
   55   3HD1  LEU   8          HD13      LEU   8  -2.199   9.438   6.014
   56   1HD2  LEU   8          HD21      LEU   8  -1.963   6.975   4.690
   57   2HD2  LEU   8          HD22      LEU   8  -1.247   8.508   4.185
   58   3HD2  LEU   8          HD23      LEU   8  -2.140   7.538   3.033
   59    H    ALA   9           HN       ALA   9  -8.415   8.136   5.158
   60    HA   ALA   9           HA       ALA   9  -9.274   6.088   3.535
   61   1HB   ALA   9          HB1       ALA   9 -10.866   8.497   4.408
   62   2HB   ALA   9          HB2       ALA   9 -10.587   7.040   5.362
   63   3HB   ALA   9          HB3       ALA   9 -11.528   6.949   3.873
   64    H    CYS  10           HN       CYS  10  -8.225   6.327   1.524
   65    HA   CYS  10           HA       CYS  10  -8.027   6.860  -0.606
   66   1HB   CYS  10          HB2       CYS  10 -10.891   7.496  -0.120
   67   2HB   CYS  10          HB1       CYS  10 -10.200   8.164  -1.588
   68    H    THR  11           HN       THR  11  -6.587   8.364   0.855
   69    HA   THR  11           HA       THR  11  -6.960  11.171   0.131
   70    HB   THR  11           HB       THR  11  -4.578  11.366   1.058
   71    HG1  THR  11           HG1      THR  11  -3.797   9.311   0.917
   72   1HG2  THR  11          HG21      THR  11  -6.462  11.932   2.445
   73   2HG2  THR  11          HG22      THR  11  -5.276  11.045   3.401
   74   3HG2  THR  11          HG23      THR  11  -6.737  10.234   2.837
   75    H    GLY  12           HN       GLY  12  -6.230   8.445  -1.534
   76   1HA   GLY  12          HA2       GLY  12  -5.746   8.677  -3.854
   77   2HA   GLY  12          HA1       GLY  12  -4.531   9.882  -3.458
   78    H    SER  13           HN       SER  13  -4.512   7.112  -4.780
   79    HA   SER  13           HA       SER  13  -3.075   5.325  -3.168
   80   1HB   SER  13          HB2       SER  13  -2.207   4.438  -5.392
   81   2HB   SER  13          HB1       SER  13  -3.960   4.543  -5.237
   82    HG   SER  13           HG       SER  13  -2.218   6.201  -6.703
   83    H    LYS  14           HN       LYS  14  -1.982   7.964  -5.252
   84    HA   LYS  14           HA       LYS  14   0.771   7.584  -4.929
   85   1HB   LYS  14          HB2       LYS  14   1.015   9.885  -5.720
   86   2HB   LYS  14          HB1       LYS  14  -0.066   8.937  -6.707
   87   1HG   LYS  14          HG2       LYS  14  -1.395  10.723  -6.582
   88   2HG   LYS  14          HG1       LYS  14  -1.893  10.021  -5.051
   89   1HD   LYS  14          HD2       LYS  14  -1.439  12.338  -4.705
   90   2HD   LYS  14          HD1       LYS  14  -0.167  11.418  -3.908
   91   1HE   LYS  14          HE2       LYS  14   1.368  11.876  -5.690
   92   2HE   LYS  14          HE1       LYS  14   0.094  12.588  -6.679
   93   1HZ   LYS  14          HZ1       LYS  14  -0.106  14.369  -5.059
   94   2HZ   LYS  14          HZ2       LYS  14   1.471  14.271  -5.660
   95   3HZ   LYS  14          HZ3       LYS  14   1.121  13.681  -4.115
   96    H    ASP  15           HN       ASP  15  -1.568   8.925  -2.774
   97    HA   ASP  15           HA       ASP  15   0.411  10.281  -1.153
   98   1HB   ASP  15          HB2       ASP  15  -1.834  11.229  -1.307
   99   2HB   ASP  15          HB1       ASP  15  -2.524   9.750  -0.655
  100    H    CYS  16           HN       CYS  16  -1.632   7.385  -0.988
  101    HA   CYS  16           HA       CYS  16  -0.652   6.526   1.550
  102   1HB   CYS  16          HB2       CYS  16  -2.127   5.085  -0.659
  103   2HB   CYS  16          HB1       CYS  16  -1.726   4.333   0.884
  104    H    TYR  17           HN       TYR  17   0.683   6.431  -1.609
  105    HA   TYR  17           HA       TYR  17   2.289   4.175  -1.574
  106   1HB   TYR  17          HB2       TYR  17   2.684   6.942  -2.693
  107   2HB   TYR  17          HB1       TYR  17   3.968   5.751  -2.827
  108    HD1  TYR  17           HD1      TYR  17   3.024   6.921  -5.242
  109    HD2  TYR  17           HD2      TYR  17   1.351   3.643  -3.103
  110    HE1  TYR  17           HE1      TYR  17   2.044   6.048  -7.317
  111    HE2  TYR  17           HE2      TYR  17   0.393   2.777  -5.163
  112    HH   TYR  17           HH       TYR  17   1.243   3.285  -7.956
  113    H    ALA  18           HN       ALA  18   2.894   7.339  -0.115
  114    HA   ALA  18           HA       ALA  18   5.505   6.796   0.705
  115   1HB   ALA  18          HB1       ALA  18   4.682   8.642   2.554
  116   2HB   ALA  18          HB2       ALA  18   3.537   8.893   1.237
  117   3HB   ALA  18          HB3       ALA  18   5.265   8.987   0.930
  118    HA   PRO  19           HA       PRO  19   3.823   5.619   5.161
  119   1HB   PRO  19          HB2       PRO  19   1.052   4.792   4.422
  120   2HB   PRO  19          HB1       PRO  19   1.656   5.583   5.877
  121   1HG   PRO  19          HG2       PRO  19   0.313   6.940   4.055
  122   2HG   PRO  19          HG1       PRO  19   1.698   7.674   4.872
  123   1HD   PRO  19          HD2       PRO  19   1.509   6.521   2.144
  124   2HD   PRO  19          HD1       PRO  19   2.348   7.951   2.692
  125    H    CYS  20           HN       CYS  20   2.289   3.932   2.410
  126    HA   CYS  20           HA       CYS  20   2.577   1.340   3.494
  127   1HB   CYS  20          HB2       CYS  20   1.057   1.911   1.618
  128   2HB   CYS  20          HB1       CYS  20   2.451   2.125   0.571
  129    H    ARG  21           HN       ARG  21   4.606   3.185   1.237
  130    HA   ARG  21           HA       ARG  21   6.598   1.226   0.849
  131   1HB   ARG  21          HB2       ARG  21   6.364   3.200  -0.541
  132   2HB   ARG  21          HB1       ARG  21   6.781   4.240   0.772
  133   1HG   ARG  21          HG2       ARG  21   9.023   3.273   0.830
  134   2HG   ARG  21          HG1       ARG  21   8.595   2.209  -0.513
  135   1HD   ARG  21          HD2       ARG  21   8.195   4.155  -1.928
  136   2HD   ARG  21          HD1       ARG  21   8.581   5.224  -0.576
  137    HE   ARG  21           HE       ARG  21  10.735   3.449  -1.088
  138   1HH1  ARG  21          HH11      ARG  21   9.150   6.299  -2.391
  139   2HH1  ARG  21          HH12      ARG  21  10.587   6.890  -3.136
  140   1HH2  ARG  21          HH21      ARG  21  12.626   4.256  -2.076
  141   2HH2  ARG  21          HH22      ARG  21  12.558   5.741  -2.966
  142    H    LYS  22           HN       LYS  22   6.272   3.853   3.192
  143    HA   LYS  22           HA       LYS  22   8.787   3.564   4.413
  144   1HB   LYS  22          HB2       LYS  22   7.354   5.536   4.638
  145   2HB   LYS  22          HB1       LYS  22   6.189   4.596   5.563
  146   1HG   LYS  22          HG2       LYS  22   7.869   4.262   7.321
  147   2HG   LYS  22          HG1       LYS  22   9.022   5.220   6.385
  148   1HD   LYS  22          HD2       LYS  22   7.537   7.155   6.531
  149   2HD   LYS  22          HD1       LYS  22   6.363   6.196   7.437
  150   1HE   LYS  22          HE2       LYS  22   8.017   5.881   9.221
  151   2HE   LYS  22          HE1       LYS  22   9.171   6.863   8.315
  152   1HZ   LYS  22          HZ1       LYS  22   6.542   7.789   9.345
  153   2HZ   LYS  22          HZ2       LYS  22   7.650   8.732   8.476
  154   3HZ   LYS  22          HZ3       LYS  22   8.054   8.151  10.011
  155    H    GLN  23           HN       GLN  23   5.690   1.962   5.014
  156    HA   GLN  23           HA       GLN  23   6.692   0.706   7.415
  157   1HB   GLN  23          HB2       GLN  23   4.327   1.416   7.174
  158   2HB   GLN  23          HB1       GLN  23   4.109   0.199   5.924
  159   1HG   GLN  23          HG2       GLN  23   3.260  -0.578   8.052
  160   2HG   GLN  23          HG1       GLN  23   4.625  -1.561   7.535
  161   1HE2  GLN  23          HE21      GLN  23   3.468   0.742   9.872
  162   2HE2  GLN  23          HE22      GLN  23   4.814   0.607  10.946
  163    H    THR  24           HN       THR  24   5.612  -0.497   4.213
  164    HA   THR  24           HA       THR  24   6.575  -3.150   4.937
  165    HB   THR  24           HB       THR  24   5.450  -3.922   2.934
  166    HG1  THR  24           HG1      THR  24   4.743  -2.549   1.380
  167   1HG2  THR  24          HG21      THR  24   3.758  -1.828   4.306
  168   2HG2  THR  24          HG22      THR  24   4.050  -3.459   4.912
  169   3HG2  THR  24          HG23      THR  24   3.174  -3.223   3.401
  170    H    GLY  25           HN       GLY  25   7.544  -0.516   2.833
  171   1HA   GLY  25          HA2       GLY  25   9.782  -0.374   2.007
  172   2HA   GLY  25          HA1       GLY  25   9.862  -2.126   1.928
  173    H    CYS  26           HN       CYS  26   6.876  -1.695   0.902
  174    HA   CYS  26           HA       CYS  26   7.630  -1.147  -1.882
  175   1HB   CYS  26          HB2       CYS  26   5.746  -3.248  -0.858
  176   2HB   CYS  26          HB1       CYS  26   6.052  -2.902  -2.555
  177    HA   PRO  27           HA       PRO  27   4.588   1.967  -0.977
  178   1HB   PRO  27          HB2       PRO  27   4.775   3.345  -3.301
  179   2HB   PRO  27          HB1       PRO  27   6.026   3.391  -2.088
  180   1HG   PRO  27          HG2       PRO  27   5.913   1.804  -4.597
  181   2HG   PRO  27          HG1       PRO  27   7.281   2.680  -3.886
  182   1HD   PRO  27          HD2       PRO  27   6.949  -0.021  -3.674
  183   2HD   PRO  27          HD1       PRO  27   7.802   0.959  -2.466
  184    H    ASN  28           HN       ASN  28   4.327  -0.197  -3.693
  185    HA   ASN  28           HA       ASN  28   2.144   0.836  -4.996
  186   1HB   ASN  28          HB2       ASN  28   3.053  -2.030  -4.722
  187   2HB   ASN  28          HB1       ASN  28   1.771  -1.528  -5.821
  188   1HD2  ASN  28          HD21      ASN  28   4.450  -2.678  -6.352
  189   2HD2  ASN  28          HD22      ASN  28   5.189  -1.554  -7.436
  190    H    ALA  29           HN       ALA  29   0.349   1.451  -4.014
  191    HA   ALA  29           HA       ALA  29  -1.381  -0.549  -2.818
  192   1HB   ALA  29          HB1       ALA  29  -1.738   0.547  -0.805
  193   2HB   ALA  29          HB2       ALA  29  -1.065   2.075  -1.382
  194   3HB   ALA  29          HB3       ALA  29   0.000   0.720  -1.030
  195    H    LYS  30           HN       LYS  30  -3.600   0.190  -2.654
  196    HA   LYS  30           HA       LYS  30  -4.309   2.637  -4.104
  197   1HB   LYS  30          HB2       LYS  30  -4.307   0.956  -5.857
  198   2HB   LYS  30          HB1       LYS  30  -5.299  -0.120  -4.889
  199   1HG   LYS  30          HG2       LYS  30  -7.128   1.540  -4.971
  200   2HG   LYS  30          HG1       LYS  30  -6.129   2.560  -6.003
  201   1HD   LYS  30          HD2       LYS  30  -6.760  -0.291  -6.752
  202   2HD   LYS  30          HD1       LYS  30  -7.908   1.008  -7.058
  203   1HE   LYS  30          HE2       LYS  30  -6.679   0.754  -9.044
  204   2HE   LYS  30          HE1       LYS  30  -6.051   2.212  -8.285
  205   1HZ   LYS  30          HZ1       LYS  30  -4.522   0.280  -9.232
  206   2HZ   LYS  30          HZ2       LYS  30  -4.666  -0.279  -7.644
  207   3HZ   LYS  30          HZ3       LYS  30  -4.055   1.271  -7.949
  208    H    CYS  31           HN       CYS  31  -6.283   3.502  -3.390
  209    HA   CYS  31           HA       CYS  31  -7.236   2.316  -0.933
  210   1HB   CYS  31          HB2       CYS  31  -8.292   4.339  -0.421
  211   2HB   CYS  31          HB1       CYS  31  -6.765   4.748  -1.143
  212    H    ILE  32           HN       ILE  32  -8.592   0.723  -1.083
  213    HA   ILE  32           HA       ILE  32 -10.950   1.067  -2.837
  214    HB   ILE  32           HB       ILE  32 -11.129  -1.433  -2.807
  215   1HG1  ILE  32          HG12      ILE  32  -8.283  -1.283  -1.767
  216   2HG1  ILE  32          HG11      ILE  32  -9.673  -1.824  -0.832
  217   1HG2  ILE  32          HG21      ILE  32  -9.587  -1.768  -4.609
  218   2HG2  ILE  32          HG22      ILE  32  -8.586  -0.421  -4.074
  219   3HG2  ILE  32          HG23      ILE  32 -10.203  -0.125  -4.710
  220   1HD1  ILE  32          HD11      ILE  32  -9.453  -3.303  -3.309
  221   2HD1  ILE  32          HD12      ILE  32  -9.523  -3.854  -1.653
  222   3HD1  ILE  32          HD13      ILE  32  -7.978  -3.375  -2.354
  223    H    ASN  33           HN       ASN  33 -12.915   0.661  -1.944
  224    HA   ASN  33           HA       ASN  33 -14.475   0.841  -0.321
  225   1HB   ASN  33          HB2       ASN  33 -12.619  -0.883   1.348
  226   2HB   ASN  33          HB1       ASN  33 -14.316  -0.562   1.677
  227   1HD2  ASN  33          HD21      ASN  33 -12.927  -3.092   1.271
  228   2HD2  ASN  33          HD22      ASN  33 -13.742  -3.852  -0.049
  229    H    LYS  34           HN       LYS  34 -12.474   2.841  -0.597
  230    HA   LYS  34           HA       LYS  34 -11.632   4.663   0.390
  231   1HB   LYS  34          HB2       LYS  34 -13.643   3.951   2.507
  232   2HB   LYS  34          HB1       LYS  34 -12.681   5.418   2.559
  233   1HG   LYS  34          HG2       LYS  34 -13.634   6.214   0.535
  234   2HG   LYS  34          HG1       LYS  34 -14.510   4.703   0.283
  235   1HD   LYS  34          HD2       LYS  34 -15.879   5.088   2.203
  236   2HD   LYS  34          HD1       LYS  34 -14.917   6.488   2.683
  237   1HE   LYS  34          HE2       LYS  34 -16.534   6.288   0.142
  238   2HE   LYS  34          HE1       LYS  34 -17.052   7.099   1.618
  239   1HZ   LYS  34          HZ1       LYS  34 -14.788   7.841  -0.140
  240   2HZ   LYS  34          HZ2       LYS  34 -15.017   8.516   1.395
  241   3HZ   LYS  34          HZ3       LYS  34 -16.181   8.735   0.190
  242    H    SER  35           HN       SER  35 -10.344   2.058   0.855
  243    HA   SER  35           HA       SER  35  -8.672   2.889   3.112
  244   1HB   SER  35          HB2       SER  35 -10.263   1.198   3.971
  245   2HB   SER  35          HB1       SER  35  -9.710   0.063   2.743
  246    HG   SER  35           HG       SER  35  -8.687  -0.188   4.817
  247    H    CYS  36           HN       CYS  36  -6.610   2.949   2.482
  248    HA   CYS  36           HA       CYS  36  -5.823   1.997  -0.082
  249   1HB   CYS  36          HB2       CYS  36  -4.237   3.182   2.169
  250   2HB   CYS  36          HB1       CYS  36  -3.545   2.766   0.603
  251    H    LYS  37           HN       LYS  37  -5.760  -0.119  -0.431
  252    HA   LYS  37           HA       LYS  37  -4.460  -1.853   1.545
  253   1HB   LYS  37          HB2       LYS  37  -6.130  -2.396  -0.900
  254   2HB   LYS  37          HB1       LYS  37  -5.134  -3.637  -0.159
  255   1HG   LYS  37          HG2       LYS  37  -6.363  -3.217   1.990
  256   2HG   LYS  37          HG1       LYS  37  -7.434  -2.144   1.085
  257   1HD   LYS  37          HD2       LYS  37  -8.397  -4.384   1.329
  258   2HD   LYS  37          HD1       LYS  37  -8.079  -4.002  -0.337
  259   1HE   LYS  37          HE2       LYS  37  -6.007  -5.310  -0.270
  260   2HE   LYS  37          HE1       LYS  37  -6.337  -5.691   1.417
  261   1HZ   LYS  37          HZ1       LYS  37  -8.337  -6.840   0.701
  262   2HZ   LYS  37          HZ2       LYS  37  -6.968  -7.474  -0.063
  263   3HZ   LYS  37          HZ3       LYS  37  -8.009  -6.451  -0.915
  264    H    CYS  38           HN       CYS  38  -2.508  -2.665   1.256
  265    HA   CYS  38           HA       CYS  38  -0.980  -1.857  -1.116
  266   1HB   CYS  38          HB2       CYS  38  -0.105  -3.127   1.489
  267   2HB   CYS  38          HB1       CYS  38   0.971  -2.633   0.186
  268    H    TYR  39           HN       TYR  39   0.144  -3.372  -2.383
  269    HA   TYR  39           HA       TYR  39  -1.147  -5.994  -2.526
  270   1HB   TYR  39          HB2       TYR  39   1.039  -4.863  -4.291
  271   2HB   TYR  39          HB1       TYR  39   0.021  -6.261  -4.617
  272    HD1  TYR  39           HD1      TYR  39  -2.533  -5.826  -4.828
  273    HD2  TYR  39           HD2      TYR  39   0.415  -2.775  -5.085
  274    HE1  TYR  39           HE1      TYR  39  -4.125  -4.391  -6.033
  275    HE2  TYR  39           HE2      TYR  39  -1.162  -1.333  -6.287
  276    HH   TYR  39           HH       TYR  39  -3.604  -2.197  -7.851
  277    H    GLY  40           HN       GLY  40   0.958  -5.033  -0.416
  278   1HA   GLY  40          HA2       GLY  40   2.593  -6.026   0.784
  279   2HA   GLY  40          HA1       GLY  40   2.422  -7.470  -0.211
  280    H    CYS  41           HN       CYS  41   4.038  -7.887  -1.582
  281    HA   CYS  41           HA       CYS  41   5.491  -5.674  -2.827
  282   1HB   CYS  41          HB2       CYS  41   6.813  -7.899  -1.263
  283   2HB   CYS  41          HB1       CYS  41   7.670  -6.929  -2.459
  Start of MODEL    5
    1   1H    TRP   1           HT1      TRP   1   4.061   1.897  11.117
    2   2H    TRP   1           HT2      TRP   1   3.703   2.983  12.397
    3   3H    TRP   1           HT3      TRP   1   5.062   1.971  12.504
    4    HA   TRP   1           HA       TRP   1   5.624   4.244  11.973
    5   1HB   TRP   1          HB2       TRP   1   6.156   2.209   9.788
    6   2HB   TRP   1          HB1       TRP   1   7.059   3.703  10.017
    7    HD1  TRP   1           HD1      TRP   1   6.922   0.151  11.193
    8    HE1  TRP   1           HE1      TRP   1   8.731  -0.238  12.983
    9    HE3  TRP   1           HE3      TRP   1   8.282   5.006  12.050
   10    HZ2  TRP   1           HZ2      TRP   1  10.489   1.304  14.555
   11    HZ3  TRP   1           HZ3      TRP   1  10.029   5.462  13.721
   12    HH2  TRP   1           HH2      TRP   1  11.108   3.648  14.948
   13    H    CYS   2           HN       CYS   2   2.955   4.530  11.515
   14    HA   CYS   2           HA       CYS   2   2.433   5.042   8.727
   15   1HB   CYS   2          HB2       CYS   2   0.643   4.214  10.116
   16   2HB   CYS   2          HB1       CYS   2   0.825   5.558  11.232
   17    H    SER   3           HN       SER   3   2.646   6.906   7.687
   18    HA   SER   3           HA       SER   3   3.768   9.222   9.020
   19   1HB   SER   3          HB2       SER   3   2.907   8.971   6.128
   20   2HB   SER   3          HB1       SER   3   4.043  10.114   6.824
   21    HG   SER   3           HG       SER   3   4.995   8.274   5.735
   22    H    THR   4           HN       THR   4   0.952   8.814   6.836
   23    HA   THR   4           HA       THR   4  -0.721  10.364   8.632
   24    HB   THR   4           HB       THR   4  -0.374  11.343   5.761
   25    HG1  THR   4           HG1      THR   4   0.792  12.396   8.165
   26   1HG2  THR   4          HG21      THR   4  -2.445  12.112   6.491
   27   2HG2  THR   4          HG22      THR   4  -1.373  13.431   6.937
   28   3HG2  THR   4          HG23      THR   4  -1.915  12.291   8.165
   29    H    CYS   5           HN       CYS   5  -0.723   7.680   7.789
   30    HA   CYS   5           HA       CYS   5  -2.620   7.308   5.692
   31   1HB   CYS   5          HB2       CYS   5  -2.357   4.955   6.043
   32   2HB   CYS   5          HB1       CYS   5  -0.782   5.724   6.072
   33    H    LEU   6           HN       LEU   6  -2.991   8.211   8.857
   34    HA   LEU   6           HA       LEU   6  -5.323   6.647   9.475
   35   1HB   LEU   6          HB2       LEU   6  -3.665   7.602  11.151
   36   2HB   LEU   6          HB1       LEU   6  -4.326   9.186  10.814
   37    HG   LEU   6           HG       LEU   6  -5.140   8.050  12.922
   38   1HD1  LEU   6          HD11      LEU   6  -6.379   9.883  11.622
   39   2HD1  LEU   6          HD12      LEU   6  -7.280   8.936  12.800
   40   3HD1  LEU   6          HD13      LEU   6  -7.455   8.591  11.087
   41   1HD2  LEU   6          HD21      LEU   6  -5.312   5.778  11.904
   42   2HD2  LEU   6          HD22      LEU   6  -6.744   6.331  11.031
   43   3HD2  LEU   6          HD23      LEU   6  -6.744   6.293  12.791
   44    H    ASP   7           HN       ASP   7  -4.539   9.874   8.289
   45    HA   ASP   7           HA       ASP   7  -7.400  10.493   7.921
   46   1HB   ASP   7          HB2       ASP   7  -4.953  12.255   7.621
   47   2HB   ASP   7          HB1       ASP   7  -6.630  12.777   7.482
   48    H    LEU   8           HN       LEU   8  -5.830   8.543   6.266
   49    HA   LEU   8           HA       LEU   8  -5.790   9.959   3.709
   50   1HB   LEU   8          HB2       LEU   8  -3.822   8.549   5.000
   51   2HB   LEU   8          HB1       LEU   8  -4.372   7.399   3.827
   52    HG   LEU   8           HG       LEU   8  -2.444   8.714   3.054
   53   1HD1  LEU   8          HD11      LEU   8  -3.172   8.591   0.975
   54   2HD1  LEU   8          HD12      LEU   8  -4.404   9.807   1.207
   55   3HD1  LEU   8          HD13      LEU   8  -4.729   8.136   1.609
   56   1HD2  LEU   8          HD21      LEU   8  -2.759  11.098   2.522
   57   2HD2  LEU   8          HD22      LEU   8  -2.822  10.775   4.234
   58   3HD2  LEU   8          HD23      LEU   8  -4.295  11.085   3.343
   59    H    ALA   9           HN       ALA   9  -8.186   8.842   4.824
   60    HA   ALA   9           HA       ALA   9  -8.837   6.317   3.837
   61   1HB   ALA   9          HB1       ALA   9 -10.673   8.682   4.225
   62   2HB   ALA   9          HB2       ALA   9 -10.184   7.540   5.475
   63   3HB   ALA   9          HB3       ALA   9 -11.163   6.991   4.118
   64    H    CYS  10           HN       CYS  10  -7.795   6.308   1.772
   65    HA   CYS  10           HA       CYS  10  -7.452   6.639  -0.392
   66   1HB   CYS  10          HB2       CYS  10  -9.635   5.461  -0.656
   67   2HB   CYS  10          HB1       CYS  10 -10.449   7.010  -0.602
   68    H    THR  11           HN       THR  11  -6.819   8.753   1.081
   69    HA   THR  11           HA       THR  11  -7.955  11.135  -0.200
   70    HB   THR  11           HB       THR  11  -5.677  11.125   1.801
   71    HG1  THR  11           HG1      THR  11  -7.324  11.331   3.412
   72   1HG2  THR  11          HG21      THR  11  -7.757  13.136   0.955
   73   2HG2  THR  11          HG22      THR  11  -6.006  13.257   0.789
   74   3HG2  THR  11          HG23      THR  11  -6.742  13.320   2.384
   75    H    GLY  12           HN       GLY  12  -6.556   9.132  -1.750
   76   1HA   GLY  12          HA2       GLY  12  -5.300   9.645  -3.687
   77   2HA   GLY  12          HA1       GLY  12  -4.294  10.718  -2.732
   78    H    SER  13           HN       SER  13  -4.610   7.600  -3.984
   79    HA   SER  13           HA       SER  13  -3.057   6.092  -2.165
   80   1HB   SER  13          HB2       SER  13  -3.195   5.863  -5.188
   81   2HB   SER  13          HB1       SER  13  -2.579   4.631  -4.083
   82    HG   SER  13           HG       SER  13  -5.228   5.525  -4.448
   83    H    LYS  14           HN       LYS  14  -2.308   8.516  -4.552
   84    HA   LYS  14           HA       LYS  14   0.439   8.257  -4.791
   85   1HB   LYS  14          HB2       LYS  14  -1.255  10.722  -4.786
   86   2HB   LYS  14          HB1       LYS  14   0.423  10.670  -5.321
   87   1HG   LYS  14          HG2       LYS  14  -0.146   9.186  -7.116
   88   2HG   LYS  14          HG1       LYS  14  -1.822   9.099  -6.576
   89   1HD   LYS  14          HD2       LYS  14  -2.210  11.384  -7.087
   90   2HD   LYS  14          HD1       LYS  14  -0.492  11.696  -7.348
   91   1HE   LYS  14          HE2       LYS  14  -2.237   9.910  -9.043
   92   2HE   LYS  14          HE1       LYS  14  -1.714  11.543  -9.455
   93   1HZ   LYS  14          HZ1       LYS  14  -0.061   9.105  -9.215
   94   2HZ   LYS  14          HZ2       LYS  14   0.634  10.650  -9.202
   95   3HZ   LYS  14          HZ3       LYS  14  -0.245  10.124 -10.546
   96    H    ASP  15           HN       ASP  15  -1.511   9.667  -2.258
   97    HA   ASP  15           HA       ASP  15   0.721  10.802  -0.836
   98   1HB   ASP  15          HB2       ASP  15  -1.767  11.530  -0.720
   99   2HB   ASP  15          HB1       ASP  15  -1.980  10.177   0.368
  100    H    CYS  16           HN       CYS  16  -1.454   8.012  -0.439
  101    HA   CYS  16           HA       CYS  16  -0.225   7.086   1.915
  102   1HB   CYS  16          HB2       CYS  16  -2.542   6.522   1.141
  103   2HB   CYS  16          HB1       CYS  16  -1.831   5.392  -0.005
  104    H    TYR  17           HN       TYR  17   0.963   6.945  -1.269
  105    HA   TYR  17           HA       TYR  17   2.381   4.538  -1.332
  106   1HB   TYR  17          HB2       TYR  17   3.085   7.295  -2.347
  107   2HB   TYR  17          HB1       TYR  17   4.114   5.898  -2.641
  108    HD1  TYR  17           HD1      TYR  17   2.876   7.658  -4.753
  109    HD2  TYR  17           HD2      TYR  17   1.532   4.021  -2.983
  110    HE1  TYR  17           HE1      TYR  17   1.605   7.129  -6.781
  111    HE2  TYR  17           HE2      TYR  17   0.269   3.505  -5.000
  112    HH   TYR  17           HH       TYR  17  -0.751   5.326  -7.066
  113    H    ALA  18           HN       ALA  18   3.134   7.609   0.252
  114    HA   ALA  18           HA       ALA  18   5.729   6.884   1.076
  115   1HB   ALA  18          HB1       ALA  18   5.077   8.758   2.915
  116   2HB   ALA  18          HB2       ALA  18   3.868   9.088   1.674
  117   3HB   ALA  18          HB3       ALA  18   5.576   9.103   1.263
  118    HA   PRO  19           HA       PRO  19   3.713   5.697   5.437
  119   1HB   PRO  19          HB2       PRO  19   0.992   4.997   4.404
  120   2HB   PRO  19          HB1       PRO  19   1.477   5.675   5.962
  121   1HG   PRO  19          HG2       PRO  19   0.349   7.190   4.096
  122   2HG   PRO  19          HG1       PRO  19   1.649   7.811   5.114
  123   1HD   PRO  19          HD2       PRO  19   1.763   6.960   2.290
  124   2HD   PRO  19          HD1       PRO  19   2.605   8.243   3.101
  125    H    CYS  20           HN       CYS  20   2.348   4.175   2.498
  126    HA   CYS  20           HA       CYS  20   2.453   1.532   3.461
  127   1HB   CYS  20          HB2       CYS  20   1.143   2.201   1.481
  128   2HB   CYS  20          HB1       CYS  20   2.632   2.485   0.590
  129    H    ARG  21           HN       ARG  21   4.793   3.406   1.540
  130    HA   ARG  21           HA       ARG  21   6.745   1.385   1.283
  131   1HB   ARG  21          HB2       ARG  21   6.954   3.299  -0.093
  132   2HB   ARG  21          HB1       ARG  21   6.889   4.397   1.278
  133   1HG   ARG  21          HG2       ARG  21   9.093   3.579   2.017
  134   2HG   ARG  21          HG1       ARG  21   9.144   2.506   0.617
  135   1HD   ARG  21          HD2       ARG  21   8.884   5.496   0.469
  136   2HD   ARG  21          HD1       ARG  21  10.415   4.647   0.402
  137    HE   ARG  21           HE       ARG  21   9.480   3.465  -1.605
  138   1HH1  ARG  21          HH11      ARG  21   8.495   6.744  -0.767
  139   2HH1  ARG  21          HH12      ARG  21   8.090   7.141  -2.388
  140   1HH2  ARG  21          HH21      ARG  21   8.979   4.051  -3.735
  141   2HH2  ARG  21          HH22      ARG  21   8.347   5.624  -4.074
  142    H    LYS  22           HN       LYS  22   6.229   3.880   3.748
  143    HA   LYS  22           HA       LYS  22   8.565   3.326   5.227
  144   1HB   LYS  22          HB2       LYS  22   7.187   5.422   5.341
  145   2HB   LYS  22          HB1       LYS  22   5.973   4.527   6.239
  146   1HG   LYS  22          HG2       LYS  22   7.315   5.796   7.752
  147   2HG   LYS  22          HG1       LYS  22   7.642   4.082   8.000
  148   1HD   LYS  22          HD2       LYS  22   9.695   4.242   6.734
  149   2HD   LYS  22          HD1       LYS  22   9.358   5.929   6.338
  150   1HE   LYS  22          HE2       LYS  22   9.836   4.813   9.102
  151   2HE   LYS  22          HE1       LYS  22  10.994   5.729   8.138
  152   1HZ   LYS  22          HZ1       LYS  22   9.292   7.568   8.134
  153   2HZ   LYS  22          HZ2       LYS  22  10.023   7.238   9.621
  154   3HZ   LYS  22          HZ3       LYS  22   8.457   6.690   9.319
  155    H    GLN  23           HN       GLN  23   5.372   1.905   5.227
  156    HA   GLN  23           HA       GLN  23   5.723   0.563   7.758
  157   1HB   GLN  23          HB2       GLN  23   3.519   1.340   6.909
  158   2HB   GLN  23          HB1       GLN  23   3.612   0.145   5.624
  159   1HG   GLN  23          HG2       GLN  23   3.765  -1.616   7.422
  160   2HG   GLN  23          HG1       GLN  23   3.426  -0.337   8.588
  161   1HE2  GLN  23          HE21      GLN  23   1.869  -2.727   7.936
  162   2HE2  GLN  23          HE22      GLN  23   0.322  -2.143   7.438
  163    H    THR  24           HN       THR  24   5.180  -0.648   4.429
  164    HA   THR  24           HA       THR  24   6.094  -3.274   5.245
  165    HB   THR  24           HB       THR  24   5.415  -3.968   2.973
  166    HG1  THR  24           HG1      THR  24   4.853  -2.489   1.461
  167   1HG2  THR  24          HG21      THR  24   3.388  -2.150   4.280
  168   2HG2  THR  24          HG22      THR  24   3.693  -3.834   4.709
  169   3HG2  THR  24          HG23      THR  24   3.042  -3.432   3.121
  170    H    GLY  25           HN       GLY  25   7.319  -0.574   3.372
  171   1HA   GLY  25          HA2       GLY  25   9.700  -0.390   3.009
  172   2HA   GLY  25          HA1       GLY  25   9.779  -2.129   2.806
  173    H    CYS  26           HN       CYS  26   6.982  -1.461   1.348
  174    HA   CYS  26           HA       CYS  26   8.214  -0.757  -1.216
  175   1HB   CYS  26          HB2       CYS  26   6.225  -2.983  -0.760
  176   2HB   CYS  26          HB1       CYS  26   6.924  -2.509  -2.308
  177    HA   PRO  27           HA       PRO  27   4.872   2.135  -1.191
  178   1HB   PRO  27          HB2       PRO  27   5.419   3.418  -3.444
  179   2HB   PRO  27          HB1       PRO  27   6.629   3.330  -2.166
  180   1HG   PRO  27          HG2       PRO  27   6.407   1.651  -4.638
  181   2HG   PRO  27          HG1       PRO  27   7.827   2.477  -3.988
  182   1HD   PRO  27          HD2       PRO  27   7.262  -0.178  -3.561
  183   2HD   PRO  27          HD1       PRO  27   8.256   0.824  -2.484
  184    H    ASN  28           HN       ASN  28   4.256  -0.622  -2.442
  185    HA   ASN  28           HA       ASN  28   2.579   0.022  -4.708
  186   1HB   ASN  28          HB2       ASN  28   2.973  -2.553  -3.158
  187   2HB   ASN  28          HB1       ASN  28   1.989  -2.385  -4.595
  188   1HD2  ASN  28          HD21      ASN  28   3.179  -3.891  -5.730
  189   2HD2  ASN  28          HD22      ASN  28   4.759  -3.519  -6.319
  190    H    ALA  29           HN       ALA  29   0.964   1.404  -3.928
  191    HA   ALA  29           HA       ALA  29  -0.933   0.159  -2.033
  192   1HB   ALA  29          HB1       ALA  29  -1.264   2.250  -0.929
  193   2HB   ALA  29          HB2       ALA  29  -0.173   3.070  -2.046
  194   3HB   ALA  29          HB3       ALA  29   0.457   1.870  -0.919
  195    H    LYS  30           HN       LYS  30  -3.070   0.528  -2.346
  196    HA   LYS  30           HA       LYS  30  -3.990   2.387  -4.396
  197   1HB   LYS  30          HB2       LYS  30  -3.540   0.211  -5.575
  198   2HB   LYS  30          HB1       LYS  30  -4.728  -0.556  -4.527
  199   1HG   LYS  30          HG2       LYS  30  -6.435   1.029  -5.420
  200   2HG   LYS  30          HG1       LYS  30  -5.206   1.636  -6.533
  201   1HD   LYS  30          HD2       LYS  30  -4.967  -0.692  -7.408
  202   2HD   LYS  30          HD1       LYS  30  -6.319  -1.168  -6.386
  203   1HE   LYS  30          HE2       LYS  30  -7.093  -0.762  -8.628
  204   2HE   LYS  30          HE1       LYS  30  -7.723   0.496  -7.567
  205   1HZ   LYS  30          HZ1       LYS  30  -6.130   2.029  -8.387
  206   2HZ   LYS  30          HZ2       LYS  30  -6.830   1.288  -9.732
  207   3HZ   LYS  30          HZ3       LYS  30  -5.282   0.830  -9.233
  208    H    CYS  31           HN       CYS  31  -5.966   3.244  -3.788
  209    HA   CYS  31           HA       CYS  31  -6.904   2.442  -1.188
  210   1HB   CYS  31          HB2       CYS  31  -8.135   4.388  -1.109
  211   2HB   CYS  31          HB1       CYS  31  -6.686   4.846  -1.970
  212    H    ILE  32           HN       ILE  32  -8.439   1.085  -0.751
  213    HA   ILE  32           HA       ILE  32 -10.801   0.923  -2.450
  214    HB   ILE  32           HB       ILE  32 -10.856  -1.615  -2.093
  215   1HG1  ILE  32          HG12      ILE  32  -8.398  -2.549  -2.151
  216   2HG1  ILE  32          HG11      ILE  32  -7.984  -1.055  -1.333
  217   1HG2  ILE  32          HG21      ILE  32 -10.539  -0.605  -4.268
  218   2HG2  ILE  32          HG22      ILE  32  -9.587  -2.080  -4.110
  219   3HG2  ILE  32          HG23      ILE  32  -8.800  -0.505  -3.988
  220   1HD1  ILE  32          HD11      ILE  32  -8.669  -3.336  -0.109
  221   2HD1  ILE  32          HD12      ILE  32 -10.244  -2.551  -0.169
  222   3HD1  ILE  32          HD13      ILE  32  -8.878  -1.742   0.601
  223    H    ASN  33           HN       ASN  33 -12.674   0.496  -1.258
  224    HA   ASN  33           HA       ASN  33 -14.002   0.643   0.584
  225   1HB   ASN  33          HB2       ASN  33 -11.787  -1.073   1.752
  226   2HB   ASN  33          HB1       ASN  33 -13.298  -0.737   2.584
  227   1HD2  ASN  33          HD21      ASN  33 -13.637  -3.018   2.623
  228   2HD2  ASN  33          HD22      ASN  33 -14.241  -3.818   1.216
  229    H    LYS  34           HN       LYS  34 -12.499   2.837   0.089
  230    HA   LYS  34           HA       LYS  34 -11.466   4.665   0.830
  231   1HB   LYS  34          HB2       LYS  34 -12.394   5.752   2.786
  232   2HB   LYS  34          HB1       LYS  34 -13.649   5.036   1.791
  233   1HG   LYS  34          HG2       LYS  34 -13.984   3.258   3.350
  234   2HG   LYS  34          HG1       LYS  34 -12.572   3.742   4.288
  235   1HD   LYS  34          HD2       LYS  34 -14.657   4.456   5.352
  236   2HD   LYS  34          HD1       LYS  34 -13.657   5.832   4.888
  237   1HE   LYS  34          HE2       LYS  34 -15.993   6.236   4.376
  238   2HE   LYS  34          HE1       LYS  34 -15.055   6.169   2.894
  239   1HZ   LYS  34          HZ1       LYS  34 -15.854   3.965   2.481
  240   2HZ   LYS  34          HZ2       LYS  34 -17.182   4.956   2.801
  241   3HZ   LYS  34          HZ3       LYS  34 -16.624   3.892   3.989
  242    H    SER  35           HN       SER  35  -9.974   2.273   1.294
  243    HA   SER  35           HA       SER  35  -8.163   3.327   3.337
  244   1HB   SER  35          HB2       SER  35  -8.957   0.402   3.163
  245   2HB   SER  35          HB1       SER  35  -7.796   1.116   4.285
  246    HG   SER  35           HG       SER  35  -9.911   0.786   5.185
  247    H    CYS  36           HN       CYS  36  -6.093   3.301   2.621
  248    HA   CYS  36           HA       CYS  36  -5.611   2.337  -0.055
  249   1HB   CYS  36          HB2       CYS  36  -3.283   3.222   0.339
  250   2HB   CYS  36          HB1       CYS  36  -4.601   4.383   0.367
  251    H    LYS  37           HN       LYS  37  -5.477   0.236  -0.298
  252    HA   LYS  37           HA       LYS  37  -4.142  -1.437   1.682
  253   1HB   LYS  37          HB2       LYS  37  -6.278  -2.160   0.751
  254   2HB   LYS  37          HB1       LYS  37  -5.608  -2.073  -0.866
  255   1HG   LYS  37          HG2       LYS  37  -3.978  -3.882  -0.175
  256   2HG   LYS  37          HG1       LYS  37  -4.876  -3.995   1.338
  257   1HD   LYS  37          HD2       LYS  37  -5.599  -5.700  -0.239
  258   2HD   LYS  37          HD1       LYS  37  -6.905  -4.562   0.089
  259   1HE   LYS  37          HE2       LYS  37  -6.322  -3.369  -2.025
  260   2HE   LYS  37          HE1       LYS  37  -5.103  -4.601  -2.334
  261   1HZ   LYS  37          HZ1       LYS  37  -8.024  -5.050  -2.083
  262   2HZ   LYS  37          HZ2       LYS  37  -6.866  -6.244  -2.402
  263   3HZ   LYS  37          HZ3       LYS  37  -7.144  -5.013  -3.526
  264    H    CYS  38           HN       CYS  38  -2.202  -2.394   1.383
  265    HA   CYS  38           HA       CYS  38  -0.649  -1.566  -0.934
  266   1HB   CYS  38          HB2       CYS  38   0.170  -3.003   1.587
  267   2HB   CYS  38          HB1       CYS  38   1.276  -2.484   0.320
  268    H    TYR  39           HN       TYR  39   0.386  -3.013  -2.330
  269    HA   TYR  39           HA       TYR  39  -0.982  -5.537  -2.766
  270   1HB   TYR  39          HB2       TYR  39   1.390  -4.295  -4.173
  271   2HB   TYR  39          HB1       TYR  39   0.584  -5.758  -4.688
  272    HD1  TYR  39           HD1      TYR  39   0.053  -2.111  -4.233
  273    HD2  TYR  39           HD2      TYR  39  -1.285  -5.676  -6.097
  274    HE1  TYR  39           HE1      TYR  39  -1.395  -0.775  -5.673
  275    HE2  TYR  39           HE2      TYR  39  -2.764  -4.356  -7.544
  276    HH   TYR  39           HH       TYR  39  -2.518  -1.567  -8.350
  277    H    GLY  40           HN       GLY  40   0.826  -5.066  -0.327
  278   1HA   GLY  40          HA2       GLY  40   2.317  -6.240   0.897
  279   2HA   GLY  40          HA1       GLY  40   2.282  -7.516  -0.317
  280    H    CYS  41           HN       CYS  41   3.813  -7.561  -1.881
  281    HA   CYS  41           HA       CYS  41   5.256  -5.409  -2.854
  282   1HB   CYS  41          HB2       CYS  41   6.326  -5.464  -0.557
  283   2HB   CYS  41          HB1       CYS  41   6.967  -7.043  -0.957
  Start of MODEL    6
    1   1H    TRP   1           HT1      TRP   1   0.757   0.299  12.476
    2   2H    TRP   1           HT2      TRP   1   1.170  -1.354  12.642
    3   3H    TRP   1           HT3      TRP   1   1.046  -0.660  11.081
    4    HA   TRP   1           HA       TRP   1   3.041  -0.144  13.182
    5   1HB   TRP   1          HB2       TRP   1   3.088  -1.410  10.453
    6   2HB   TRP   1          HB1       TRP   1   4.561  -0.746  11.150
    7    HD1  TRP   1           HD1      TRP   1   2.078  -3.628  11.600
    8    HE1  TRP   1           HE1      TRP   1   3.167  -5.398  13.120
    9    HE3  TRP   1           HE3      TRP   1   6.250  -1.037  13.010
   10    HZ2  TRP   1           HZ2      TRP   1   5.484  -5.659  14.707
   11    HZ3  TRP   1           HZ3      TRP   1   7.849  -2.118  14.532
   12    HH2  TRP   1           HH2      TRP   1   7.472  -4.380  15.361
   13    H    CYS   2           HN       CYS   2   1.463   1.131  10.322
   14    HA   CYS   2           HA       CYS   2   3.423   3.283  10.109
   15   1HB   CYS   2          HB2       CYS   2   2.009   4.054   8.212
   16   2HB   CYS   2          HB1       CYS   2   2.660   2.440   8.035
   17    H    SER   3           HN       SER   3   3.275   4.940  11.447
   18    HA   SER   3           HA       SER   3   0.900   5.520  12.940
   19   1HB   SER   3          HB2       SER   3   3.142   5.827  13.895
   20   2HB   SER   3          HB1       SER   3   3.500   7.061  12.689
   21    HG   SER   3           HG       SER   3   1.683   7.168  14.847
   22    H    THR   4           HN       THR   4   2.062   6.474   9.866
   23    HA   THR   4           HA       THR   4   0.699   9.024   9.817
   24    HB   THR   4           HB       THR   4   1.352   8.866   7.315
   25    HG1  THR   4           HG1      THR   4   1.672   6.489   7.494
   26   1HG2  THR   4          HG21      THR   4   3.534   8.769   9.395
   27   2HG2  THR   4          HG22      THR   4   2.611  10.198   8.927
   28   3HG2  THR   4          HG23      THR   4   3.678   9.416   7.761
   29    H    CYS   5           HN       CYS   5  -0.362   5.868   9.616
   30    HA   CYS   5           HA       CYS   5  -2.310   6.332   7.504
   31   1HB   CYS   5          HB2       CYS   5  -1.858   3.912   9.259
   32   2HB   CYS   5          HB1       CYS   5  -2.913   3.992   7.852
   33    H    LEU   6           HN       LEU   6  -3.389   8.084   8.709
   34    HA   LEU   6           HA       LEU   6  -5.354   6.962  10.608
   35   1HB   LEU   6          HB2       LEU   6  -5.448   8.984  11.838
   36   2HB   LEU   6          HB1       LEU   6  -3.787   8.433  11.803
   37    HG   LEU   6           HG       LEU   6  -4.780  10.603   9.942
   38   1HD1  LEU   6          HD11      LEU   6  -3.925  12.231  11.499
   39   2HD1  LEU   6          HD12      LEU   6  -3.559  10.952  12.660
   40   3HD1  LEU   6          HD13      LEU   6  -5.233  11.297  12.222
   41   1HD2  LEU   6          HD21      LEU   6  -2.090   9.567  10.784
   42   2HD2  LEU   6          HD22      LEU   6  -2.286  11.208  10.166
   43   3HD2  LEU   6          HD23      LEU   6  -2.723   9.840   9.164
   44    H    ASP   7           HN       ASP   7  -4.763   9.454   8.125
   45    HA   ASP   7           HA       ASP   7  -7.585   9.218   7.339
   46   1HB   ASP   7          HB2       ASP   7  -7.240  11.123   9.020
   47   2HB   ASP   7          HB1       ASP   7  -6.308  11.937   7.772
   48    H    LEU   8           HN       LEU   8  -6.648   8.121   5.531
   49    HA   LEU   8           HA       LEU   8  -5.574  10.004   3.510
   50   1HB   LEU   8          HB2       LEU   8  -4.733   7.124   3.952
   51   2HB   LEU   8          HB1       LEU   8  -4.323   8.065   2.539
   52    HG   LEU   8           HG       LEU   8  -2.400   8.053   3.856
   53   1HD1  LEU   8          HD11      LEU   8  -2.036  10.378   4.401
   54   2HD1  LEU   8          HD12      LEU   8  -3.761  10.688   4.368
   55   3HD1  LEU   8          HD13      LEU   8  -2.924  10.219   2.897
   56   1HD2  LEU   8          HD21      LEU   8  -3.969   7.585   6.004
   57   2HD2  LEU   8          HD22      LEU   8  -3.523   9.266   6.297
   58   3HD2  LEU   8          HD23      LEU   8  -2.279   8.045   6.068
   59    H    ALA   9           HN       ALA   9  -8.267   9.163   4.148
   60    HA   ALA   9           HA       ALA   9  -9.228   7.026   2.794
   61   1HB   ALA   9          HB1       ALA   9 -10.662   9.618   3.303
   62   2HB   ALA   9          HB2       ALA   9 -10.488   8.285   4.443
   63   3HB   ALA   9          HB3       ALA   9 -11.431   8.065   2.971
   64    H    CYS  10           HN       CYS  10  -8.089   6.952   0.797
   65    HA   CYS  10           HA       CYS  10  -7.789   7.204  -1.425
   66   1HB   CYS  10          HB2       CYS  10 -10.703   7.983  -1.231
   67   2HB   CYS  10          HB1       CYS  10  -9.861   7.816  -2.769
   68    H    THR  11           HN       THR  11  -6.730   9.159   0.053
   69    HA   THR  11           HA       THR  11  -7.401  11.729  -1.119
   70    HB   THR  11           HB       THR  11  -6.506  11.598   1.206
   71    HG1  THR  11           HG1      THR  11  -6.147  13.551   0.244
   72   1HG2  THR  11          HG21      THR  11  -3.912  10.779  -0.106
   73   2HG2  THR  11          HG22      THR  11  -4.933   9.724   0.867
   74   3HG2  THR  11          HG23      THR  11  -4.175  11.133   1.591
   75    H    GLY  12           HN       GLY  12  -5.592   8.992  -1.980
   76   1HA   GLY  12          HA2       GLY  12  -5.039   9.409  -4.473
   77   2HA   GLY  12          HA1       GLY  12  -3.817  10.469  -3.784
   78    H    SER  13           HN       SER  13  -3.887   7.718  -5.239
   79    HA   SER  13           HA       SER  13  -2.781   5.806  -3.490
   80   1HB   SER  13          HB2       SER  13  -2.255   6.152  -6.460
   81   2HB   SER  13          HB1       SER  13  -1.986   4.686  -5.513
   82    HG   SER  13           HG       SER  13  -4.404   5.867  -6.323
   83    H    LYS  14           HN       LYS  14  -1.292   8.275  -5.543
   84    HA   LYS  14           HA       LYS  14   1.400   7.766  -5.060
   85   1HB   LYS  14          HB2       LYS  14   1.761  10.152  -5.626
   86   2HB   LYS  14          HB1       LYS  14   0.662   9.353  -6.744
   87   1HG   LYS  14          HG2       LYS  14  -1.252  10.364  -5.669
   88   2HG   LYS  14          HG1       LYS  14  -0.216  11.087  -4.444
   89   1HD   LYS  14          HD2       LYS  14   0.918  12.387  -6.203
   90   2HD   LYS  14          HD1       LYS  14  -0.198  11.703  -7.389
   91   1HE   LYS  14          HE2       LYS  14  -0.904  13.931  -6.680
   92   2HE   LYS  14          HE1       LYS  14  -2.084  12.708  -6.209
   93   1HZ   LYS  14          HZ1       LYS  14  -1.195  14.554  -4.556
   94   2HZ   LYS  14          HZ2       LYS  14  -0.028  13.374  -4.233
   95   3HZ   LYS  14          HZ3       LYS  14  -1.671  13.024  -4.036
   96    H    ASP  15           HN       ASP  15  -0.990   9.349  -3.044
   97    HA   ASP  15           HA       ASP  15   0.885  10.441  -1.162
   98   1HB   ASP  15          HB2       ASP  15  -2.103   9.991  -1.031
   99   2HB   ASP  15          HB1       ASP  15  -1.183  10.781   0.236
  100    H    CYS  16           HN       CYS  16  -1.309   7.669  -1.253
  101    HA   CYS  16           HA       CYS  16  -0.601   6.665   1.306
  102   1HB   CYS  16          HB2       CYS  16  -1.846   5.253  -1.063
  103   2HB   CYS  16          HB1       CYS  16  -1.791   4.636   0.587
  104    H    TYR  17           HN       TYR  17   1.011   6.592  -1.717
  105    HA   TYR  17           HA       TYR  17   2.516   4.252  -1.610
  106   1HB   TYR  17          HB2       TYR  17   2.807   6.924  -2.841
  107   2HB   TYR  17          HB1       TYR  17   4.318   6.087  -2.585
  108    HD1  TYR  17           HD1      TYR  17   0.908   5.088  -3.773
  109    HD2  TYR  17           HD2      TYR  17   5.085   5.070  -4.498
  110    HE1  TYR  17           HE1      TYR  17   0.512   3.871  -5.852
  111    HE2  TYR  17           HE2      TYR  17   4.712   3.813  -6.577
  112    HH   TYR  17           HH       TYR  17   2.375   2.119  -7.310
  113    H    ALA  18           HN       ALA  18   2.984   7.356   0.026
  114    HA   ALA  18           HA       ALA  18   5.560   6.797   0.996
  115   1HB   ALA  18          HB1       ALA  18   5.318   8.982   1.243
  116   2HB   ALA  18          HB2       ALA  18   4.591   8.617   2.803
  117   3HB   ALA  18          HB3       ALA  18   3.569   8.899   1.395
  118    HA   PRO  19           HA       PRO  19   3.541   5.513   5.256
  119   1HB   PRO  19          HB2       PRO  19   0.791   4.770   4.366
  120   2HB   PRO  19          HB1       PRO  19   1.333   5.563   5.840
  121   1HG   PRO  19          HG2       PRO  19   0.111   6.940   3.931
  122   2HG   PRO  19          HG1       PRO  19   1.462   7.647   4.837
  123   1HD   PRO  19          HD2       PRO  19   1.441   6.482   2.110
  124   2HD   PRO  19          HD1       PRO  19   2.245   7.915   2.694
  125    H    CYS  20           HN       CYS  20   2.106   3.953   2.377
  126    HA   CYS  20           HA       CYS  20   2.192   1.324   3.359
  127   1HB   CYS  20          HB2       CYS  20   0.872   1.978   1.398
  128   2HB   CYS  20          HB1       CYS  20   2.347   2.290   0.493
  129    H    ARG  21           HN       ARG  21   4.542   3.110   1.355
  130    HA   ARG  21           HA       ARG  21   6.402   0.958   1.188
  131   1HB   ARG  21          HB2       ARG  21   6.306   2.897  -0.360
  132   2HB   ARG  21          HB1       ARG  21   6.933   3.924   0.893
  133   1HG   ARG  21          HG2       ARG  21   8.987   2.610   0.960
  134   2HG   ARG  21          HG1       ARG  21   8.356   1.549  -0.300
  135   1HD   ARG  21          HD2       ARG  21   9.851   3.121  -1.286
  136   2HD   ARG  21          HD1       ARG  21   8.233   3.503  -1.816
  137    HE   ARG  21           HE       ARG  21   9.793   4.974   0.222
  138   1HH1  ARG  21          HH11      ARG  21   7.210   4.936  -2.167
  139   2HH1  ARG  21          HH12      ARG  21   6.911   6.616  -2.023
  140   1HH2  ARG  21          HH21      ARG  21   9.368   7.215   0.374
  141   2HH2  ARG  21          HH22      ARG  21   8.118   7.915  -0.601
  142    H    LYS  22           HN       LYS  22   5.998   3.691   3.384
  143    HA   LYS  22           HA       LYS  22   8.473   3.391   4.717
  144   1HB   LYS  22          HB2       LYS  22   6.937   5.405   4.732
  145   2HB   LYS  22          HB1       LYS  22   5.948   4.559   5.915
  146   1HG   LYS  22          HG2       LYS  22   7.814   4.499   7.458
  147   2HG   LYS  22          HG1       LYS  22   8.868   5.239   6.246
  148   1HD   LYS  22          HD2       LYS  22   7.325   7.217   6.238
  149   2HD   LYS  22          HD1       LYS  22   6.465   6.474   7.590
  150   1HE   LYS  22          HE2       LYS  22   8.524   6.517   8.916
  151   2HE   LYS  22          HE1       LYS  22   9.381   7.253   7.560
  152   1HZ   LYS  22          HZ1       LYS  22   7.910   9.166   7.717
  153   2HZ   LYS  22          HZ2       LYS  22   8.711   8.901   9.182
  154   3HZ   LYS  22          HZ3       LYS  22   7.088   8.459   9.019
  155    H    GLN  23           HN       GLN  23   5.376   1.801   5.068
  156    HA   GLN  23           HA       GLN  23   6.068   0.623   7.625
  157   1HB   GLN  23          HB2       GLN  23   3.722   1.224   6.836
  158   2HB   GLN  23          HB1       GLN  23   3.782  -0.180   5.803
  159   1HG   GLN  23          HG2       GLN  23   4.254  -0.358   8.774
  160   2HG   GLN  23          HG1       GLN  23   2.642  -0.384   8.074
  161   1HE2  GLN  23          HE21      GLN  23   5.591  -2.171   8.534
  162   2HE2  GLN  23          HE22      GLN  23   4.989  -3.671   7.926
  163    H    THR  24           HN       THR  24   5.220  -0.819   4.445
  164    HA   THR  24           HA       THR  24   6.478  -3.290   5.236
  165    HB   THR  24           HB       THR  24   5.758  -4.089   3.011
  166    HG1  THR  24           HG1      THR  24   4.765  -2.734   1.579
  167   1HG2  THR  24          HG21      THR  24   3.608  -2.667   4.554
  168   2HG2  THR  24          HG22      THR  24   4.229  -4.286   4.881
  169   3HG2  THR  24          HG23      THR  24   3.346  -3.965   3.388
  170    H    GLY  25           HN       GLY  25   7.165  -0.758   2.860
  171   1HA   GLY  25          HA2       GLY  25   9.572  -0.413   2.303
  172   2HA   GLY  25          HA1       GLY  25   9.692  -2.161   2.170
  173    H    CYS  26           HN       CYS  26   6.799  -2.020   1.096
  174    HA   CYS  26           HA       CYS  26   7.556  -1.439  -1.676
  175   1HB   CYS  26          HB2       CYS  26   5.376  -3.210  -0.604
  176   2HB   CYS  26          HB1       CYS  26   5.702  -2.930  -2.300
  177    HA   PRO  27           HA       PRO  27   4.577   1.893  -1.200
  178   1HB   PRO  27          HB2       PRO  27   5.117   3.174  -3.453
  179   2HB   PRO  27          HB1       PRO  27   6.304   3.081  -2.193
  180   1HG   PRO  27          HG2       PRO  27   6.134   1.545  -4.727
  181   2HG   PRO  27          HG1       PRO  27   7.561   2.212  -3.916
  182   1HD   PRO  27          HD2       PRO  27   6.694  -0.437  -3.764
  183   2HD   PRO  27          HD1       PRO  27   7.829   0.354  -2.651
  184    H    ASN  28           HN       ASN  28   4.078  -0.808  -2.879
  185    HA   ASN  28           HA       ASN  28   2.273   0.018  -4.919
  186   1HB   ASN  28          HB2       ASN  28   2.697  -2.694  -3.631
  187   2HB   ASN  28          HB1       ASN  28   1.792  -2.388  -5.102
  188   1HD2  ASN  28          HD21      ASN  28   4.209  -4.004  -4.590
  189   2HD2  ASN  28          HD22      ASN  28   5.358  -3.418  -5.738
  190    H    ALA  29           HN       ALA  29   0.618   1.249  -4.065
  191    HA   ALA  29           HA       ALA  29  -1.164  -0.120  -2.157
  192   1HB   ALA  29          HB1       ALA  29  -1.668   2.019  -1.143
  193   2HB   ALA  29          HB2       ALA  29  -0.570   2.828  -2.264
  194   3HB   ALA  29          HB3       ALA  29   0.063   1.692  -1.074
  195    H    LYS  30           HN       LYS  30  -3.347   0.178  -2.363
  196    HA   LYS  30           HA       LYS  30  -4.394   1.736  -4.619
  197   1HB   LYS  30          HB2       LYS  30  -4.084  -0.616  -5.412
  198   2HB   LYS  30          HB1       LYS  30  -5.128  -1.168  -4.116
  199   1HG   LYS  30          HG2       LYS  30  -6.404  -1.098  -6.109
  200   2HG   LYS  30          HG1       LYS  30  -6.966   0.219  -5.082
  201   1HD   LYS  30          HD2       LYS  30  -5.658   1.815  -6.367
  202   2HD   LYS  30          HD1       LYS  30  -4.997   0.512  -7.358
  203   1HE   LYS  30          HE2       LYS  30  -7.897   1.336  -7.198
  204   2HE   LYS  30          HE1       LYS  30  -6.787   1.688  -8.520
  205   1HZ   LYS  30          HZ1       LYS  30  -8.062  -0.157  -9.170
  206   2HZ   LYS  30          HZ2       LYS  30  -7.842  -0.953  -7.699
  207   3HZ   LYS  30          HZ3       LYS  30  -6.543  -0.786  -8.773
  208    H    CYS  31           HN       CYS  31  -6.173   2.863  -3.955
  209    HA   CYS  31           HA       CYS  31  -7.027   2.481  -1.229
  210   1HB   CYS  31          HB2       CYS  31  -6.690   4.739  -2.265
  211   2HB   CYS  31          HB1       CYS  31  -8.145   4.457  -3.197
  212    H    ILE  32           HN       ILE  32  -8.602   1.219  -0.585
  213    HA   ILE  32           HA       ILE  32 -11.002   0.960  -2.272
  214    HB   ILE  32           HB       ILE  32 -11.263  -1.392  -1.613
  215   1HG1  ILE  32          HG12      ILE  32  -8.389  -1.356  -0.672
  216   2HG1  ILE  32          HG11      ILE  32  -9.711  -1.146   0.449
  217   1HG2  ILE  32          HG21      ILE  32  -9.587  -2.350  -3.108
  218   2HG2  ILE  32          HG22      ILE  32  -8.665  -0.847  -3.047
  219   3HG2  ILE  32          HG23      ILE  32 -10.273  -0.867  -3.770
  220   1HD1  ILE  32          HD11      ILE  32  -9.047  -3.401   0.494
  221   2HD1  ILE  32          HD12      ILE  32  -9.204  -3.537  -1.257
  222   3HD1  ILE  32          HD13      ILE  32 -10.638  -3.302  -0.258
  223    H    ASN  33           HN       ASN  33 -12.877   1.099  -1.143
  224    HA   ASN  33           HA       ASN  33 -14.282   1.646   0.544
  225   1HB   ASN  33          HB2       ASN  33 -12.472  -0.067   2.270
  226   2HB   ASN  33          HB1       ASN  33 -14.157   0.342   2.585
  227   1HD2  ASN  33          HD21      ASN  33 -12.947  -2.280   2.371
  228   2HD2  ASN  33          HD22      ASN  33 -13.767  -3.073   1.073
  229    H    LYS  34           HN       LYS  34 -12.277   3.526   0.018
  230    HA   LYS  34           HA       LYS  34 -11.360   5.414   0.823
  231   1HB   LYS  34          HB2       LYS  34 -13.302   4.771   2.999
  232   2HB   LYS  34          HB1       LYS  34 -12.106   5.998   3.314
  233   1HG   LYS  34          HG2       LYS  34 -14.095   7.030   2.583
  234   2HG   LYS  34          HG1       LYS  34 -12.859   7.231   1.341
  235   1HD   LYS  34          HD2       LYS  34 -13.854   5.486   0.001
  236   2HD   LYS  34          HD1       LYS  34 -15.028   5.128   1.272
  237   1HE   LYS  34          HE2       LYS  34 -16.019   6.476  -0.507
  238   2HE   LYS  34          HE1       LYS  34 -16.000   7.345   1.025
  239   1HZ   LYS  34          HZ1       LYS  34 -14.179   8.657   0.292
  240   2HZ   LYS  34          HZ2       LYS  34 -15.327   8.673  -0.944
  241   3HZ   LYS  34          HZ3       LYS  34 -13.946   7.710  -1.094
  242    H    SER  35           HN       SER  35 -10.102   2.733   1.334
  243    HA   SER  35           HA       SER  35  -8.101   3.706   3.235
  244   1HB   SER  35          HB2       SER  35  -9.643   2.214   4.480
  245   2HB   SER  35          HB1       SER  35  -9.280   0.915   3.345
  246    HG   SER  35           HG       SER  35  -7.948   0.682   5.114
  247    H    CYS  36           HN       CYS  36  -6.216   3.680   2.237
  248    HA   CYS  36           HA       CYS  36  -5.761   2.234  -0.190
  249   1HB   CYS  36          HB2       CYS  36  -3.858   3.739   1.589
  250   2HB   CYS  36          HB1       CYS  36  -3.457   3.106  -0.007
  251    H    LYS  37           HN       LYS  37  -5.513   0.090  -0.210
  252    HA   LYS  37           HA       LYS  37  -4.057  -1.204   2.002
  253   1HB   LYS  37          HB2       LYS  37  -4.864  -3.279   1.182
  254   2HB   LYS  37          HB1       LYS  37  -6.230  -2.175   1.269
  255   1HG   LYS  37          HG2       LYS  37  -6.345  -1.928  -1.039
  256   2HG   LYS  37          HG1       LYS  37  -4.740  -2.603  -1.305
  257   1HD   LYS  37          HD2       LYS  37  -5.502  -4.781  -0.549
  258   2HD   LYS  37          HD1       LYS  37  -7.115  -4.130  -0.258
  259   1HE   LYS  37          HE2       LYS  37  -7.351  -3.611  -2.614
  260   2HE   LYS  37          HE1       LYS  37  -5.709  -4.185  -2.922
  261   1HZ   LYS  37          HZ1       LYS  37  -7.346  -5.851  -3.484
  262   2HZ   LYS  37          HZ2       LYS  37  -7.959  -5.840  -1.909
  263   3HZ   LYS  37          HZ3       LYS  37  -6.383  -6.389  -2.202
  264    H    CYS  38           HN       CYS  38  -2.438  -2.848   1.373
  265    HA   CYS  38           HA       CYS  38  -0.867  -1.871  -0.923
  266   1HB   CYS  38          HB2       CYS  38   0.050  -3.274   1.585
  267   2HB   CYS  38          HB1       CYS  38   1.095  -2.731   0.277
  268    H    TYR  39           HN       TYR  39   0.227  -3.384  -2.241
  269    HA   TYR  39           HA       TYR  39  -1.337  -5.764  -2.722
  270   1HB   TYR  39          HB2       TYR  39   1.108  -4.631  -4.087
  271   2HB   TYR  39          HB1       TYR  39   0.287  -6.088  -4.628
  272    HD1  TYR  39           HD1      TYR  39  -1.824  -5.976  -5.794
  273    HD2  TYR  39           HD2      TYR  39  -0.004  -2.451  -4.341
  274    HE1  TYR  39           HE1      TYR  39  -3.331  -4.617  -7.181
  275    HE2  TYR  39           HE2      TYR  39  -1.478  -1.070  -5.708
  276    HH   TYR  39           HH       TYR  39  -2.943  -1.875  -8.178
  277    H    GLY  40           HN       GLY  40   0.316  -5.663  -0.218
  278   1HA   GLY  40          HA2       GLY  40   1.271  -7.270   1.036
  279   2HA   GLY  40          HA1       GLY  40   1.274  -8.333  -0.357
  280    H    CYS  41           HN       CYS  41   3.237  -7.092   1.812
  281    HA   CYS  41           HA       CYS  41   5.556  -7.403   0.083
  282   1HB   CYS  41          HB2       CYS  41   4.959  -4.955   0.100
  283   2HB   CYS  41          HB1       CYS  41   5.276  -4.953   1.795
  Start of MODEL    7
    1   1H    TRP   1           HT1      TRP   1   1.836   0.992  13.376
    2   2H    TRP   1           HT2      TRP   1   1.658  -0.700  13.200
    3   3H    TRP   1           HT3      TRP   1   1.309   0.337  11.880
    4    HA   TRP   1           HA       TRP   1   3.925  -0.167  13.151
    5   1HB   TRP   1          HB2       TRP   1   2.998  -1.935  11.628
    6   2HB   TRP   1          HB1       TRP   1   2.947  -0.746  10.335
    7    HD1  TRP   1           HD1      TRP   1   5.467   0.309   9.646
    8    HE1  TRP   1           HE1      TRP   1   7.709  -0.941   9.480
    9    HE3  TRP   1           HE3      TRP   1   4.336  -3.785  12.499
   10    HZ2  TRP   1           HZ2      TRP   1   8.845  -3.340  10.420
   11    HZ3  TRP   1           HZ3      TRP   1   6.058  -5.513  12.808
   12    HH2  TRP   1           HH2      TRP   1   8.266  -5.293  11.789
   13    H    CYS   2           HN       CYS   2   2.249   1.469  10.472
   14    HA   CYS   2           HA       CYS   2   4.513   3.228  10.038
   15   1HB   CYS   2          HB2       CYS   2   2.980   4.237   8.284
   16   2HB   CYS   2          HB1       CYS   2   3.442   2.566   8.067
   17    H    SER   3           HN       SER   3   4.830   4.940  11.282
   18    HA   SER   3           HA       SER   3   2.769   6.039  12.958
   19   1HB   SER   3          HB2       SER   3   5.574   7.070  12.458
   20   2HB   SER   3          HB1       SER   3   4.526   7.457  13.826
   21    HG   SER   3           HG       SER   3   4.782   5.423  14.604
   22    H    THR   4           HN       THR   4   1.944   6.349  10.355
   23    HA   THR   4           HA       THR   4   1.671   9.231  10.191
   24    HB   THR   4           HB       THR   4   2.413   7.652   7.690
   25    HG1  THR   4           HG1      THR   4   4.274   7.635   8.864
   26   1HG2  THR   4          HG21      THR   4   2.849   9.894   6.779
   27   2HG2  THR   4          HG22      THR   4   2.306  10.614   8.293
   28   3HG2  THR   4          HG23      THR   4   1.172   9.711   7.288
   29    H    CYS   5           HN       CYS   5   0.586   6.021   9.616
   30    HA   CYS   5           HA       CYS   5  -1.603   6.697   7.938
   31   1HB   CYS   5          HB2       CYS   5  -1.191   4.111   9.405
   32   2HB   CYS   5          HB1       CYS   5  -2.092   4.384   7.918
   33    H    LEU   6           HN       LEU   6  -2.434   8.362   9.531
   34    HA   LEU   6           HA       LEU   6  -4.025   7.135  11.693
   35   1HB   LEU   6          HB2       LEU   6  -2.498   9.107  12.099
   36   2HB   LEU   6          HB1       LEU   6  -3.591  10.076  11.131
   37    HG   LEU   6           HG       LEU   6  -4.574   8.568  13.561
   38   1HD1  LEU   6          HD11      LEU   6  -2.689   9.951  14.272
   39   2HD1  LEU   6          HD12      LEU   6  -4.218  10.583  14.880
   40   3HD1  LEU   6          HD13      LEU   6  -3.427  11.360  13.505
   41   1HD2  LEU   6          HD21      LEU   6  -6.190  10.528  13.563
   42   2HD2  LEU   6          HD22      LEU   6  -6.362   9.380  12.249
   43   3HD2  LEU   6          HD23      LEU   6  -5.565  10.927  11.962
   44    H    ASP   7           HN       ASP   7  -4.369   9.530   9.061
   45    HA   ASP   7           HA       ASP   7  -7.017   8.389   8.478
   46   1HB   ASP   7          HB2       ASP   7  -7.488  10.307   9.920
   47   2HB   ASP   7          HB1       ASP   7  -6.527  11.352   8.877
   48    H    LEU   8           HN       LEU   8  -6.202   7.491   6.610
   49    HA   LEU   8           HA       LEU   8  -5.678   9.451   4.496
   50   1HB   LEU   8          HB2       LEU   8  -4.246   6.847   4.860
   51   2HB   LEU   8          HB1       LEU   8  -4.236   7.756   3.362
   52    HG   LEU   8           HG       LEU   8  -3.346   9.711   4.902
   53   1HD1  LEU   8          HD11      LEU   8  -1.807   8.792   6.632
   54   2HD1  LEU   8          HD12      LEU   8  -2.604   7.233   6.426
   55   3HD1  LEU   8          HD13      LEU   8  -3.511   8.610   7.020
   56   1HD2  LEU   8          HD21      LEU   8  -1.620   7.409   4.001
   57   2HD2  LEU   8          HD22      LEU   8  -1.080   9.057   4.330
   58   3HD2  LEU   8          HD23      LEU   8  -2.181   8.742   2.990
   59    H    ALA   9           HN       ALA   9  -8.084   8.117   5.447
   60    HA   ALA   9           HA       ALA   9  -8.873   5.955   3.890
   61   1HB   ALA   9          HB1       ALA   9 -10.592   8.184   4.977
   62   2HB   ALA   9          HB2       ALA   9 -10.083   6.744   5.857
   63   3HB   ALA   9          HB3       ALA   9 -11.153   6.591   4.464
   64    H    CYS  10           HN       CYS  10  -8.024   6.360   1.809
   65    HA   CYS  10           HA       CYS  10  -8.002   7.031  -0.326
   66   1HB   CYS  10          HB2       CYS  10 -10.914   7.421   0.326
   67   2HB   CYS  10          HB1       CYS  10 -10.294   7.930  -1.239
   68    H    THR  11           HN       THR  11  -6.745   8.654   1.256
   69    HA   THR  11           HA       THR  11  -7.517  11.402   0.649
   70    HB   THR  11           HB       THR  11  -5.171  11.895   1.557
   71    HG1  THR  11           HG1      THR  11  -4.006  10.232   2.373
   72   1HG2  THR  11          HG21      THR  11  -7.117  12.110   2.976
   73   2HG2  THR  11          HG22      THR  11  -5.774  11.428   3.885
   74   3HG2  THR  11          HG23      THR  11  -7.090  10.385   3.333
   75    H    GLY  12           HN       GLY  12  -5.582   8.809  -0.610
   76   1HA   GLY  12          HA2       GLY  12  -5.469   9.345  -3.174
   77   2HA   GLY  12          HA1       GLY  12  -4.278  10.507  -2.599
   78    H    SER  13           HN       SER  13  -4.292   7.766  -4.124
   79    HA   SER  13           HA       SER  13  -2.794   5.955  -2.573
   80   1HB   SER  13          HB2       SER  13  -2.700   6.314  -5.582
   81   2HB   SER  13          HB1       SER  13  -2.265   4.865  -4.670
   82    HG   SER  13           HG       SER  13  -4.791   5.926  -5.232
   83    H    LYS  14           HN       LYS  14  -1.815   8.644  -4.671
   84    HA   LYS  14           HA       LYS  14   0.955   8.216  -4.485
   85   1HB   LYS  14          HB2       LYS  14  -0.604  10.722  -5.010
   86   2HB   LYS  14          HB1       LYS  14   1.149  10.615  -5.160
   87   1HG   LYS  14          HG2       LYS  14   0.882   8.898  -6.885
   88   2HG   LYS  14          HG1       LYS  14  -0.868   9.049  -6.760
   89   1HD   LYS  14          HD2       LYS  14  -0.789  11.316  -7.522
   90   2HD   LYS  14          HD1       LYS  14   0.975  11.336  -7.455
   91   1HE   LYS  14          HE2       LYS  14   0.220  11.090  -9.742
   92   2HE   LYS  14          HE1       LYS  14   1.056   9.631  -9.215
   93   1HZ   LYS  14          HZ1       LYS  14  -1.045   8.536  -8.917
   94   2HZ   LYS  14          HZ2       LYS  14  -0.985   9.184 -10.475
   95   3HZ   LYS  14          HZ3       LYS  14  -1.900   9.953  -9.280
   96    H    ASP  15           HN       ASP  15  -1.333   9.675  -2.369
   97    HA   ASP  15           HA       ASP  15   0.648  10.881  -0.640
   98   1HB   ASP  15          HB2       ASP  15  -2.334  10.437  -0.359
   99   2HB   ASP  15          HB1       ASP  15  -1.351  11.219   0.870
  100    H    CYS  16           HN       CYS  16  -1.002   7.866  -0.993
  101    HA   CYS  16           HA       CYS  16  -0.416   6.912   1.662
  102   1HB   CYS  16          HB2       CYS  16  -2.459   6.279   0.397
  103   2HB   CYS  16          HB1       CYS  16  -1.454   5.428  -0.766
  104    H    TYR  17           HN       TYR  17   1.185   6.973  -1.410
  105    HA   TYR  17           HA       TYR  17   2.731   4.695  -1.418
  106   1HB   TYR  17          HB2       TYR  17   3.438   7.515  -2.240
  107   2HB   TYR  17          HB1       TYR  17   4.520   6.158  -2.533
  108    HD1  TYR  17           HD1      TYR  17   3.558   7.899  -4.697
  109    HD2  TYR  17           HD2      TYR  17   1.839   4.354  -3.072
  110    HE1  TYR  17           HE1      TYR  17   2.438   7.450  -6.832
  111    HE2  TYR  17           HE2      TYR  17   0.721   3.911  -5.187
  112    HH   TYR  17           HH       TYR  17   1.447   4.898  -7.901
  113    H    ALA  18           HN       ALA  18   3.592   7.758   0.183
  114    HA   ALA  18           HA       ALA  18   6.083   6.925   1.097
  115   1HB   ALA  18          HB1       ALA  18   5.383   8.765   2.996
  116   2HB   ALA  18          HB2       ALA  18   4.296   9.171   1.669
  117   3HB   ALA  18          HB3       ALA  18   6.032   9.121   1.400
  118    HA   PRO  19           HA       PRO  19   4.121   5.734   5.435
  119   1HB   PRO  19          HB2       PRO  19   1.321   5.146   4.569
  120   2HB   PRO  19          HB1       PRO  19   1.943   5.874   6.054
  121   1HG   PRO  19          HG2       PRO  19   0.761   7.367   4.210
  122   2HG   PRO  19          HG1       PRO  19   2.158   7.963   5.129
  123   1HD   PRO  19          HD2       PRO  19   2.041   6.944   2.343
  124   2HD   PRO  19          HD1       PRO  19   2.957   8.274   3.008
  125    H    CYS  20           HN       CYS  20   2.584   4.298   2.553
  126    HA   CYS  20           HA       CYS  20   2.607   1.630   3.449
  127   1HB   CYS  20          HB2       CYS  20   1.293   2.419   1.516
  128   2HB   CYS  20          HB1       CYS  20   2.775   2.673   0.610
  129    H    ARG  21           HN       ARG  21   4.943   3.446   1.472
  130    HA   ARG  21           HA       ARG  21   6.802   1.360   1.107
  131   1HB   ARG  21          HB2       ARG  21   6.858   3.436  -0.198
  132   2HB   ARG  21          HB1       ARG  21   7.251   4.345   1.230
  133   1HG   ARG  21          HG2       ARG  21   9.379   3.094   1.397
  134   2HG   ARG  21          HG1       ARG  21   8.967   2.253  -0.098
  135   1HD   ARG  21          HD2       ARG  21  10.499   4.123  -0.481
  136   2HD   ARG  21          HD1       ARG  21   8.950   4.354  -1.297
  137    HE   ARG  21           HE       ARG  21   9.073   5.577   1.310
  138   1HH1  ARG  21          HH11      ARG  21   9.945   6.050  -2.066
  139   2HH1  ARG  21          HH12      ARG  21   9.802   7.765  -1.970
  140   1HH2  ARG  21          HH21      ARG  21   8.893   7.841   1.406
  141   2HH2  ARG  21          HH22      ARG  21   9.213   8.788  -0.009
  142    H    LYS  22           HN       LYS  22   6.487   3.840   3.613
  143    HA   LYS  22           HA       LYS  22   8.880   3.293   4.971
  144   1HB   LYS  22          HB2       LYS  22   7.377   5.302   5.231
  145   2HB   LYS  22          HB1       LYS  22   6.308   4.304   6.209
  146   1HG   LYS  22          HG2       LYS  22   8.132   3.943   7.809
  147   2HG   LYS  22          HG1       LYS  22   9.187   4.956   6.818
  148   1HD   LYS  22          HD2       LYS  22   7.552   6.828   7.126
  149   2HD   LYS  22          HD1       LYS  22   6.664   5.794   8.249
  150   1HE   LYS  22          HE2       LYS  22   9.515   6.735   8.544
  151   2HE   LYS  22          HE1       LYS  22   8.121   7.318   9.451
  152   1HZ   LYS  22          HZ1       LYS  22   9.279   5.771  10.792
  153   2HZ   LYS  22          HZ2       LYS  22   9.329   4.613   9.565
  154   3HZ   LYS  22          HZ3       LYS  22   7.854   5.007  10.298
  155    H    GLN  23           HN       GLN  23   5.675   1.830   5.196
  156    HA   GLN  23           HA       GLN  23   6.340   0.254   7.520
  157   1HB   GLN  23          HB2       GLN  23   4.055   0.875   7.243
  158   2HB   GLN  23          HB1       GLN  23   3.998   0.216   5.617
  159   1HG   GLN  23          HG2       GLN  23   4.276  -2.040   6.523
  160   2HG   GLN  23          HG1       GLN  23   4.349  -1.381   8.143
  161   1HE2  GLN  23          HE21      GLN  23   2.566  -2.649   8.762
  162   2HE2  GLN  23          HE22      GLN  23   0.968  -2.236   8.253
  163    H    THR  24           HN       THR  24   5.638  -0.583   4.104
  164    HA   THR  24           HA       THR  24   6.611  -3.287   4.635
  165    HB   THR  24           HB       THR  24   5.609  -3.819   2.447
  166    HG1  THR  24           HG1      THR  24   4.465  -2.139   1.343
  167   1HG2  THR  24          HG21      THR  24   3.772  -2.267   4.246
  168   2HG2  THR  24          HG22      THR  24   4.218  -3.965   4.426
  169   3HG2  THR  24          HG23      THR  24   3.279  -3.443   3.028
  170    H    GLY  25           HN       GLY  25   7.410  -0.550   2.541
  171   1HA   GLY  25          HA2       GLY  25   9.618  -0.229   1.674
  172   2HA   GLY  25          HA1       GLY  25   9.862  -1.968   1.672
  173    H    CYS  26           HN       CYS  26   6.891  -1.985   0.712
  174    HA   CYS  26           HA       CYS  26   7.488  -1.572  -2.136
  175   1HB   CYS  26          HB2       CYS  26   5.620  -3.403  -2.342
  176   2HB   CYS  26          HB1       CYS  26   7.291  -3.838  -2.013
  177    HA   PRO  27           HA       PRO  27   4.246   1.383  -0.994
  178   1HB   PRO  27          HB2       PRO  27   4.899   3.330  -2.697
  179   2HB   PRO  27          HB1       PRO  27   5.909   2.909  -1.341
  180   1HG   PRO  27          HG2       PRO  27   6.218   2.123  -4.194
  181   2HG   PRO  27          HG1       PRO  27   7.452   2.714  -3.067
  182   1HD   PRO  27          HD2       PRO  27   7.035   0.057  -3.657
  183   2HD   PRO  27          HD1       PRO  27   7.775   0.643  -2.154
  184    H    ASN  28           HN       ASN  28   3.949  -0.779  -3.325
  185    HA   ASN  28           HA       ASN  28   2.199   0.646  -5.135
  186   1HB   ASN  28          HB2       ASN  28   2.969  -2.252  -4.842
  187   2HB   ASN  28          HB1       ASN  28   1.663  -1.756  -5.916
  188   1HD2  ASN  28          HD21      ASN  28   2.140  -0.581  -7.775
  189   2HD2  ASN  28          HD22      ASN  28   3.755  -0.451  -8.373
  190    H    ALA  29           HN       ALA  29   0.478   1.465  -4.080
  191    HA   ALA  29           HA       ALA  29  -1.273  -0.443  -2.664
  192   1HB   ALA  29          HB1       ALA  29  -1.612   1.005  -0.914
  193   2HB   ALA  29          HB2       ALA  29  -1.077   2.424  -1.820
  194   3HB   ALA  29          HB3       ALA  29   0.099   1.244  -1.246
  195    H    LYS  30           HN       LYS  30  -3.483   0.026  -2.653
  196    HA   LYS  30           HA       LYS  30  -4.438   2.002  -4.624
  197   1HB   LYS  30          HB2       LYS  30  -4.250  -0.156  -5.784
  198   2HB   LYS  30          HB1       LYS  30  -5.214  -0.927  -4.531
  199   1HG   LYS  30          HG2       LYS  30  -7.120   0.518  -5.168
  200   2HG   LYS  30          HG1       LYS  30  -6.130   1.197  -6.458
  201   1HD   LYS  30          HD2       LYS  30  -5.899  -1.042  -7.445
  202   2HD   LYS  30          HD1       LYS  30  -6.907  -1.707  -6.157
  203   1HE   LYS  30          HE2       LYS  30  -8.222  -1.383  -8.156
  204   2HE   LYS  30          HE1       LYS  30  -8.765  -0.272  -6.901
  205   1HZ   LYS  30          HZ1       LYS  30  -6.885   0.482  -9.079
  206   2HZ   LYS  30          HZ2       LYS  30  -7.634   1.515  -7.966
  207   3HZ   LYS  30          HZ3       LYS  30  -8.557   0.728  -9.139
  208    H    CYS  31           HN       CYS  31  -6.271   3.044  -3.922
  209    HA   CYS  31           HA       CYS  31  -7.139   2.382  -1.249
  210   1HB   CYS  31          HB2       CYS  31  -6.808   4.755  -2.177
  211   2HB   CYS  31          HB1       CYS  31  -8.391   4.547  -2.921
  212    H    ILE  32           HN       ILE  32  -8.572   0.884  -0.910
  213    HA   ILE  32           HA       ILE  32 -11.032   0.766  -2.516
  214    HB   ILE  32           HB       ILE  32 -10.863  -1.755  -2.478
  215   1HG1  ILE  32          HG12      ILE  32  -7.964  -1.173  -1.798
  216   2HG1  ILE  32          HG11      ILE  32  -9.134  -1.918  -0.715
  217   1HG2  ILE  32          HG21      ILE  32  -8.719  -0.372  -4.079
  218   2HG2  ILE  32          HG22      ILE  32 -10.426  -0.434  -4.508
  219   3HG2  ILE  32          HG23      ILE  32  -9.479  -1.916  -4.454
  220   1HD1  ILE  32          HD11      ILE  32  -7.512  -3.092  -2.775
  221   2HD1  ILE  32          HD12      ILE  32  -9.213  -3.505  -2.986
  222   3HD1  ILE  32          HD13      ILE  32  -8.410  -3.849  -1.460
  223    H    ASN  33           HN       ASN  33 -12.771  -0.279  -1.376
  224    HA   ASN  33           HA       ASN  33 -14.053  -0.636   0.468
  225   1HB   ASN  33          HB2       ASN  33 -11.469  -1.618   1.726
  226   2HB   ASN  33          HB1       ASN  33 -13.098  -1.962   2.288
  227   1HD2  ASN  33          HD21      ASN  33 -10.870  -3.713   1.353
  228   2HD2  ASN  33          HD22      ASN  33 -11.588  -4.687   0.120
  229    H    LYS  34           HN       LYS  34 -12.865   1.964   0.100
  230    HA   LYS  34           HA       LYS  34 -12.884   3.956   1.132
  231   1HB   LYS  34          HB2       LYS  34 -13.889   2.283   3.424
  232   2HB   LYS  34          HB1       LYS  34 -13.437   3.941   3.694
  233   1HG   LYS  34          HG2       LYS  34 -15.790   3.764   3.341
  234   2HG   LYS  34          HG1       LYS  34 -15.028   4.677   2.037
  235   1HD   LYS  34          HD2       LYS  34 -15.113   2.679   0.607
  236   2HD   LYS  34          HD1       LYS  34 -15.886   1.782   1.918
  237   1HE   LYS  34          HE2       LYS  34 -17.491   2.591   0.246
  238   2HE   LYS  34          HE1       LYS  34 -17.787   3.283   1.840
  239   1HZ   LYS  34          HZ1       LYS  34 -16.198   4.706  -0.226
  240   2HZ   LYS  34          HZ2       LYS  34 -16.908   5.337   1.177
  241   3HZ   LYS  34          HZ3       LYS  34 -17.880   4.849  -0.112
  242    H    SER  35           HN       SER  35 -10.606   1.650   1.673
  243    HA   SER  35           HA       SER  35  -8.930   3.507   3.224
  244   1HB   SER  35          HB2       SER  35  -9.891   1.649   4.634
  245   2HB   SER  35          HB1       SER  35  -9.004   0.504   3.630
  246    HG   SER  35           HG       SER  35  -7.110   1.296   4.394
  247    H    CYS  36           HN       CYS  36  -6.614   3.025   3.022
  248    HA   CYS  36           HA       CYS  36  -5.980   2.334   0.254
  249   1HB   CYS  36          HB2       CYS  36  -5.005   4.361   1.195
  250   2HB   CYS  36          HB1       CYS  36  -4.236   3.416   2.467
  251    H    LYS  37           HN       LYS  37  -5.512   0.263  -0.240
  252    HA   LYS  37           HA       LYS  37  -4.155  -1.338   1.841
  253   1HB   LYS  37          HB2       LYS  37  -6.416  -2.173   1.226
  254   2HB   LYS  37          HB1       LYS  37  -5.840  -2.403  -0.420
  255   1HG   LYS  37          HG2       LYS  37  -4.019  -3.893   0.609
  256   2HG   LYS  37          HG1       LYS  37  -4.948  -3.791   2.098
  257   1HD   LYS  37          HD2       LYS  37  -5.495  -5.821   0.933
  258   2HD   LYS  37          HD1       LYS  37  -6.892  -4.745   0.913
  259   1HE   LYS  37          HE2       LYS  37  -6.479  -4.170  -1.355
  260   2HE   LYS  37          HE1       LYS  37  -4.913  -4.917  -1.356
  261   1HZ   LYS  37          HZ1       LYS  37  -6.526  -6.283  -2.492
  262   2HZ   LYS  37          HZ2       LYS  37  -7.492  -6.360  -1.107
  263   3HZ   LYS  37          HZ3       LYS  37  -5.953  -7.067  -1.107
  264    H    CYS  38           HN       CYS  38  -2.157  -1.848   1.428
  265    HA   CYS  38           HA       CYS  38  -0.982  -1.493  -1.194
  266   1HB   CYS  38          HB2       CYS  38   0.242  -2.642   1.317
  267   2HB   CYS  38          HB1       CYS  38   1.094  -2.083  -0.120
  268    H    TYR  39           HN       TYR  39  -0.105  -3.193  -2.452
  269    HA   TYR  39           HA       TYR  39  -1.504  -5.729  -2.178
  270   1HB   TYR  39          HB2       TYR  39   0.644  -4.832  -4.119
  271   2HB   TYR  39          HB1       TYR  39  -0.178  -6.387  -4.189
  272    HD1  TYR  39           HD1      TYR  39  -0.353  -2.888  -5.046
  273    HD2  TYR  39           HD2      TYR  39  -2.648  -6.453  -4.643
  274    HE1  TYR  39           HE1      TYR  39  -2.117  -1.903  -6.436
  275    HE2  TYR  39           HE2      TYR  39  -4.419  -5.475  -6.033
  276    HH   TYR  39           HH       TYR  39  -4.189  -3.270  -8.024
  277    H    GLY  40           HN       GLY  40   1.510  -4.296  -1.316
  278   1HA   GLY  40          HA2       GLY  40   3.037  -5.045   0.182
  279   2HA   GLY  40          HA1       GLY  40   2.181  -6.575   0.287
  280    H    CYS  41           HN       CYS  41   4.674  -6.931   0.385
  281    HA   CYS  41           HA       CYS  41   5.410  -7.963  -2.268
  282   1HB   CYS  41          HB2       CYS  41   7.842  -7.370  -1.532
  283   2HB   CYS  41          HB1       CYS  41   6.817  -6.118  -2.219
  Start of MODEL    8
    1   1H    TRP   1           HT1      TRP   1   2.667   2.959  13.993
    2   2H    TRP   1           HT2      TRP   1   2.689   3.822  15.479
    3   3H    TRP   1           HT3      TRP   1   2.913   2.125  15.470
    4    HA   TRP   1           HA       TRP   1   4.952   3.219  15.828
    5   1HB   TRP   1          HB2       TRP   1   4.916   1.117  14.530
    6   2HB   TRP   1          HB1       TRP   1   4.753   2.042  13.041
    7    HD1  TRP   1           HD1      TRP   1   6.992   2.015  11.808
    8    HE1  TRP   1           HE1      TRP   1   9.473   2.203  12.461
    9    HE3  TRP   1           HE3      TRP   1   6.490   2.311  16.891
   10    HZ2  TRP   1           HZ2      TRP   1  11.012   2.455  14.806
   11    HZ3  TRP   1           HZ3      TRP   1   8.511   2.531  18.262
   12    HH2  TRP   1           HH2      TRP   1  10.729   2.602  17.242
   13    H    CYS   2           HN       CYS   2   3.803   3.984  12.541
   14    HA   CYS   2           HA       CYS   2   5.308   6.508  12.588
   15   1HB   CYS   2          HB2       CYS   2   5.466   5.300  10.529
   16   2HB   CYS   2          HB1       CYS   2   3.741   5.092  10.465
   17    H    SER   3           HN       SER   3   4.347   8.329  13.201
   18    HA   SER   3           HA       SER   3   1.831   8.310  14.401
   19   1HB   SER   3          HB2       SER   3   3.729   9.840  14.954
   20   2HB   SER   3          HB1       SER   3   3.372  10.760  13.494
   21    HG   SER   3           HG       SER   3   1.449  11.389  14.365
   22    H    THR   4           HN       THR   4   2.791   9.365  11.166
   23    HA   THR   4           HA       THR   4   0.097  10.336  10.585
   24    HB   THR   4           HB       THR   4   2.392  10.013   8.618
   25    HG1  THR   4           HG1      THR   4   3.159  11.951   9.276
   26   1HG2  THR   4          HG21      THR   4   0.190  10.470   7.647
   27   2HG2  THR   4          HG22      THR   4   1.266  11.854   7.466
   28   3HG2  THR   4          HG23      THR   4   0.009  11.873   8.701
   29    H    CYS   5           HN       CYS   5   1.997   7.494  10.262
   30    HA   CYS   5           HA       CYS   5   0.302   6.337   8.194
   31   1HB   CYS   5          HB2       CYS   5   2.629   4.908   9.412
   32   2HB   CYS   5          HB1       CYS   5   1.995   4.841   7.799
   33    H    LEU   6           HN       LEU   6  -1.431   6.458  10.023
   34    HA   LEU   6           HA       LEU   6  -1.335   3.938  11.580
   35   1HB   LEU   6          HB2       LEU   6  -2.910   6.462  12.079
   36   2HB   LEU   6          HB1       LEU   6  -3.080   4.981  13.008
   37    HG   LEU   6           HG       LEU   6  -0.567   6.660  12.841
   38   1HD1  LEU   6          HD11      LEU   6  -1.071   7.262  15.150
   39   2HD1  LEU   6          HD12      LEU   6  -2.574   6.339  15.075
   40   3HD1  LEU   6          HD13      LEU   6  -2.366   7.774  14.069
   41   1HD2  LEU   6          HD21      LEU   6  -0.033   4.327  13.191
   42   2HD2  LEU   6          HD22      LEU   6  -1.240   4.206  14.471
   43   3HD2  LEU   6          HD23      LEU   6   0.193   5.208  14.697
   44    H    ASP   7           HN       ASP   7  -3.803   6.103  10.193
   45    HA   ASP   7           HA       ASP   7  -4.995   3.744   8.875
   46   1HB   ASP   7          HB2       ASP   7  -6.359   4.256  10.843
   47   2HB   ASP   7          HB1       ASP   7  -6.522   5.927  10.316
   48    H    LEU   8           HN       LEU   8  -4.834   4.081   6.774
   49    HA   LEU   8           HA       LEU   8  -4.880   6.870   5.783
   50   1HB   LEU   8          HB2       LEU   8  -3.558   4.435   4.598
   51   2HB   LEU   8          HB1       LEU   8  -3.447   6.068   3.984
   52    HG   LEU   8           HG       LEU   8  -2.382   5.172   6.658
   53   1HD1  LEU   8          HD11      LEU   8  -1.200   4.158   4.742
   54   2HD1  LEU   8          HD12      LEU   8  -0.210   5.282   5.664
   55   3HD1  LEU   8          HD13      LEU   8  -0.884   5.778   4.111
   56   1HD2  LEU   8          HD21      LEU   8  -1.242   7.339   6.656
   57   2HD2  LEU   8          HD22      LEU   8  -2.990   7.538   6.611
   58   3HD2  LEU   8          HD23      LEU   8  -2.039   7.762   5.142
   59    H    ALA   9           HN       ALA   9  -7.204   5.088   6.189
   60    HA   ALA   9           HA       ALA   9  -8.150   3.794   3.987
   61   1HB   ALA   9          HB1       ALA   9 -10.385   4.189   4.837
   62   2HB   ALA   9          HB2       ALA   9  -9.778   5.495   5.859
   63   3HB   ALA   9          HB3       ALA   9  -9.265   3.834   6.151
   64    H    CYS  10           HN       CYS  10  -7.405   4.885   2.128
   65    HA   CYS  10           HA       CYS  10  -7.521   6.209   0.332
   66   1HB   CYS  10          HB2       CYS  10 -10.363   6.291   1.281
   67   2HB   CYS  10          HB1       CYS  10  -9.867   7.214  -0.131
   68    H    THR  11           HN       THR  11  -6.149   7.382   2.149
   69    HA   THR  11           HA       THR  11  -7.057  10.149   2.489
   70    HB   THR  11           HB       THR  11  -5.649   9.151   4.270
   71    HG1  THR  11           HG1      THR  11  -4.202  11.181   2.861
   72   1HG2  THR  11          HG21      THR  11  -3.725   8.685   2.021
   73   2HG2  THR  11          HG22      THR  11  -4.283   7.610   3.284
   74   3HG2  THR  11          HG23      THR  11  -3.165   8.899   3.670
   75    H    GLY  12           HN       GLY  12  -6.595   8.586  -0.121
   76   1HA   GLY  12          HA2       GLY  12  -6.114   9.460  -2.234
   77   2HA   GLY  12          HA1       GLY  12  -4.911  10.523  -1.513
   78    H    SER  13           HN       SER  13  -5.083   7.947  -3.457
   79    HA   SER  13           HA       SER  13  -3.458   6.003  -2.273
   80   1HB   SER  13          HB2       SER  13  -2.990   5.221  -4.556
   81   2HB   SER  13          HB1       SER  13  -4.696   5.617  -4.362
   82    HG   SER  13           HG       SER  13  -2.694   7.079  -5.719
   83    H    LYS  14           HN       LYS  14  -2.662   8.992  -3.939
   84    HA   LYS  14           HA       LYS  14   0.123   8.702  -4.134
   85   1HB   LYS  14          HB2       LYS  14  -1.646  11.102  -3.788
   86   2HB   LYS  14          HB1       LYS  14   0.079  11.245  -4.039
   87   1HG   LYS  14          HG2       LYS  14  -1.739   9.774  -5.945
   88   2HG   LYS  14          HG1       LYS  14  -1.433  11.506  -6.066
   89   1HD   LYS  14          HD2       LYS  14   0.723   9.384  -6.103
   90   2HD   LYS  14          HD1       LYS  14   0.011  10.119  -7.539
   91   1HE   LYS  14          HE2       LYS  14   0.756  12.328  -6.775
   92   2HE   LYS  14          HE1       LYS  14   1.495  11.589  -5.358
   93   1HZ   LYS  14          HZ1       LYS  14   2.960  10.342  -6.803
   94   2HZ   LYS  14          HZ2       LYS  14   3.115  12.006  -7.064
   95   3HZ   LYS  14          HZ3       LYS  14   2.258  11.057  -8.170
   96    H    ASP  15           HN       ASP  15  -1.960   9.717  -1.507
   97    HA   ASP  15           HA       ASP  15   0.225  10.478   0.216
   98   1HB   ASP  15          HB2       ASP  15  -2.185  11.431   0.153
   99   2HB   ASP  15          HB1       ASP  15  -2.634  10.012   1.075
  100    H    CYS  16           HN       CYS  16  -1.491   7.604  -0.550
  101    HA   CYS  16           HA       CYS  16  -0.835   6.240   1.925
  102   1HB   CYS  16          HB2       CYS  16  -2.166   5.215  -0.596
  103   2HB   CYS  16          HB1       CYS  16  -2.010   4.328   0.918
  104    H    TYR  17           HN       TYR  17   0.458   6.560  -1.316
  105    HA   TYR  17           HA       TYR  17   1.858   4.177  -1.575
  106   1HB   TYR  17          HB2       TYR  17   2.579   6.945  -2.556
  107   2HB   TYR  17          HB1       TYR  17   3.435   5.492  -3.061
  108    HD1  TYR  17           HD1      TYR  17   1.911   7.544  -4.800
  109    HD2  TYR  17           HD2      TYR  17   0.824   3.753  -3.180
  110    HE1  TYR  17           HE1      TYR  17   0.308   7.209  -6.632
  111    HE2  TYR  17           HE2      TYR  17  -0.747   3.424  -5.012
  112    HH   TYR  17           HH       TYR  17  -2.123   5.201  -6.615
  113    H    ALA  18           HN       ALA  18   3.144   7.244  -0.343
  114    HA   ALA  18           HA       ALA  18   5.701   6.329   0.201
  115   1HB   ALA  18          HB1       ALA  18   5.404   8.305   2.071
  116   2HB   ALA  18          HB2       ALA  18   4.128   8.691   0.917
  117   3HB   ALA  18          HB3       ALA  18   5.791   8.538   0.370
  118    HA   PRO  19           HA       PRO  19   4.437   5.455   4.845
  119   1HB   PRO  19          HB2       PRO  19   1.526   5.001   4.506
  120   2HB   PRO  19          HB1       PRO  19   2.383   5.764   5.821
  121   1HG   PRO  19          HG2       PRO  19   0.999   7.219   4.104
  122   2HG   PRO  19          HG1       PRO  19   2.572   7.792   4.694
  123   1HD   PRO  19          HD2       PRO  19   1.887   6.525   2.088
  124   2HD   PRO  19          HD1       PRO  19   2.942   7.883   2.428
  125    H    CYS  20           HN       CYS  20   2.524   3.930   2.240
  126    HA   CYS  20           HA       CYS  20   2.513   1.323   3.335
  127   1HB   CYS  20          HB2       CYS  20   1.076   1.978   1.444
  128   2HB   CYS  20          HB1       CYS  20   2.494   2.163   0.423
  129    H    ARG  21           HN       ARG  21   4.798   3.016   1.197
  130    HA   ARG  21           HA       ARG  21   6.633   0.857   0.932
  131   1HB   ARG  21          HB2       ARG  21   6.746   2.675  -0.624
  132   2HB   ARG  21          HB1       ARG  21   6.977   3.846   0.661
  133   1HG   ARG  21          HG2       ARG  21   9.156   2.690   1.175
  134   2HG   ARG  21          HG1       ARG  21   8.895   1.727  -0.278
  135   1HD   ARG  21          HD2       ARG  21   8.923   4.726  -0.273
  136   2HD   ARG  21          HD1       ARG  21  10.386   3.767  -0.462
  137    HE   ARG  21           HE       ARG  21   8.887   2.732  -2.402
  138   1HH1  ARG  21          HH11      ARG  21   9.410   6.105  -1.532
  139   2HH1  ARG  21          HH12      ARG  21   9.283   6.649  -3.158
  140   1HH2  ARG  21          HH21      ARG  21   8.744   3.493  -4.544
  141   2HH2  ARG  21          HH22      ARG  21   8.895   5.184  -4.868
  142    H    LYS  22           HN       LYS  22   6.380   3.589   3.156
  143    HA   LYS  22           HA       LYS  22   8.773   3.266   4.535
  144   1HB   LYS  22          HB2       LYS  22   7.179   5.191   4.698
  145   2HB   LYS  22          HB1       LYS  22   6.127   4.189   5.688
  146   1HG   LYS  22          HG2       LYS  22   8.032   3.976   7.318
  147   2HG   LYS  22          HG1       LYS  22   8.902   5.160   6.337
  148   1HD   LYS  22          HD2       LYS  22   6.990   6.738   6.680
  149   2HD   LYS  22          HD1       LYS  22   6.276   5.553   7.778
  150   1HE   LYS  22          HE2       LYS  22   7.409   7.123   9.131
  151   2HE   LYS  22          HE1       LYS  22   8.425   5.682   9.115
  152   1HZ   LYS  22          HZ1       LYS  22   8.834   8.081   7.399
  153   2HZ   LYS  22          HZ2       LYS  22   9.841   6.721   7.478
  154   3HZ   LYS  22          HZ3       LYS  22   9.688   7.737   8.818
  155    H    GLN  23           HN       GLN  23   5.622   1.733   5.054
  156    HA   GLN  23           HA       GLN  23   6.545   0.348   7.420
  157   1HB   GLN  23          HB2       GLN  23   3.974   0.812   6.055
  158   2HB   GLN  23          HB1       GLN  23   4.116  -0.782   6.772
  159   1HG   GLN  23          HG2       GLN  23   3.075   0.977   8.206
  160   2HG   GLN  23          HG1       GLN  23   4.410   0.085   8.930
  161   1HE2  GLN  23          HE21      GLN  23   6.316   1.161   9.421
  162   2HE2  GLN  23          HE22      GLN  23   6.447   2.882   9.347
  163    H    THR  24           HN       THR  24   5.417  -0.762   4.193
  164    HA   THR  24           HA       THR  24   6.289  -3.454   4.888
  165    HB   THR  24           HB       THR  24   5.298  -4.149   2.767
  166    HG1  THR  24           HG1      THR  24   4.651  -2.709   1.249
  167   1HG2  THR  24          HG21      THR  24   3.536  -2.155   4.193
  168   2HG2  THR  24          HG22      THR  24   3.791  -3.835   4.668
  169   3HG2  THR  24          HG23      THR  24   2.992  -3.462   3.142
  170    H    GLY  25           HN       GLY  25   7.285  -0.870   2.703
  171   1HA   GLY  25          HA2       GLY  25   9.698  -0.829   2.139
  172   2HA   GLY  25          HA1       GLY  25   9.567  -2.551   1.817
  173    H    CYS  26           HN       CYS  26   6.748  -1.943   0.746
  174    HA   CYS  26           HA       CYS  26   7.619  -0.955  -1.880
  175   1HB   CYS  26          HB2       CYS  26   5.678  -3.158  -1.220
  176   2HB   CYS  26          HB1       CYS  26   5.864  -2.475  -2.813
  177    HA   PRO  27           HA       PRO  27   4.368   1.999  -1.190
  178   1HB   PRO  27          HB2       PRO  27   4.594   3.400  -3.441
  179   2HB   PRO  27          HB1       PRO  27   5.937   3.317  -2.308
  180   1HG   PRO  27          HG2       PRO  27   5.522   1.780  -4.838
  181   2HG   PRO  27          HG1       PRO  27   6.981   2.582  -4.248
  182   1HD   PRO  27          HD2       PRO  27   6.464  -0.116  -3.977
  183   2HD   PRO  27          HD1       PRO  27   7.575   0.812  -2.949
  184    H    ASN  28           HN       ASN  28   3.743  -0.710  -2.676
  185    HA   ASN  28           HA       ASN  28   1.802   0.038  -4.643
  186   1HB   ASN  28          HB2       ASN  28   2.439  -2.636  -3.378
  187   2HB   ASN  28          HB1       ASN  28   1.331  -2.404  -4.727
  188   1HD2  ASN  28          HD21      ASN  28   2.147  -1.809  -6.745
  189   2HD2  ASN  28          HD22      ASN  28   3.819  -2.022  -7.122
  190    H    ALA  29           HN       ALA  29   0.449   1.406  -3.327
  191    HA   ALA  29           HA       ALA  29  -1.484  -0.154  -1.737
  192   1HB   ALA  29          HB1       ALA  29  -1.742   1.569  -0.193
  193   2HB   ALA  29          HB2       ALA  29  -0.900   2.740  -1.210
  194   3HB   ALA  29          HB3       ALA  29  -0.012   1.453  -0.432
  195    H    LYS  30           HN       LYS  30  -3.615   0.129  -2.222
  196    HA   LYS  30           HA       LYS  30  -4.256   2.173  -4.262
  197   1HB   LYS  30          HB2       LYS  30  -5.256  -0.665  -4.058
  198   2HB   LYS  30          HB1       LYS  30  -5.948   0.533  -5.135
  199   1HG   LYS  30          HG2       LYS  30  -3.088  -0.381  -5.187
  200   2HG   LYS  30          HG1       LYS  30  -4.352  -1.022  -6.237
  201   1HD   LYS  30          HD2       LYS  30  -3.459   1.873  -6.121
  202   2HD   LYS  30          HD1       LYS  30  -2.923   0.694  -7.310
  203   1HE   LYS  30          HE2       LYS  30  -5.267   0.381  -8.026
  204   2HE   LYS  30          HE1       LYS  30  -5.752   1.644  -6.895
  205   1HZ   LYS  30          HZ1       LYS  30  -4.365   3.208  -8.094
  206   2HZ   LYS  30          HZ2       LYS  30  -5.507   2.502  -9.121
  207   3HZ   LYS  30          HZ3       LYS  30  -3.895   1.995  -9.180
  208    H    CYS  31           HN       CYS  31  -6.224   3.151  -4.173
  209    HA   CYS  31           HA       CYS  31  -7.573   3.062  -1.561
  210   1HB   CYS  31          HB2       CYS  31  -7.019   5.272  -2.177
  211   2HB   CYS  31          HB1       CYS  31  -7.526   5.036  -3.843
  212    H    ILE  32           HN       ILE  32  -8.674   1.112  -1.843
  213    HA   ILE  32           HA       ILE  32 -10.845   1.169  -3.861
  214    HB   ILE  32           HB       ILE  32 -10.843  -1.330  -3.669
  215   1HG1  ILE  32          HG12      ILE  32  -8.148  -0.909  -2.342
  216   2HG1  ILE  32          HG11      ILE  32  -9.598  -1.422  -1.491
  217   1HG2  ILE  32          HG21      ILE  32  -9.823  -0.159  -5.559
  218   2HG2  ILE  32          HG22      ILE  32  -8.974  -1.654  -5.183
  219   3HG2  ILE  32          HG23      ILE  32  -8.286  -0.104  -4.696
  220   1HD1  ILE  32          HD11      ILE  32  -8.012  -2.913  -3.530
  221   2HD1  ILE  32          HD12      ILE  32  -9.663  -3.377  -3.110
  222   3HD1  ILE  32          HD13      ILE  32  -8.410  -3.367  -1.877
  223    H    ASN  33           HN       ASN  33 -12.876   0.634  -3.213
  224    HA   ASN  33           HA       ASN  33 -14.625   0.940  -1.821
  225   1HB   ASN  33          HB2       ASN  33 -14.939  -0.846  -0.133
  226   2HB   ASN  33          HB1       ASN  33 -14.437  -1.455  -1.700
  227   1HD2  ASN  33          HD21      ASN  33 -13.440  -0.899   1.615
  228   2HD2  ASN  33          HD22      ASN  33 -12.080  -1.962   1.563
  229    H    LYS  34           HN       LYS  34 -12.644   2.813  -1.288
  230    HA   LYS  34           HA       LYS  34 -11.998   4.354   0.170
  231   1HB   LYS  34          HB2       LYS  34 -14.487   4.364   0.605
  232   2HB   LYS  34          HB1       LYS  34 -14.129   3.453   2.068
  233   1HG   LYS  34          HG2       LYS  34 -12.708   5.279   2.865
  234   2HG   LYS  34          HG1       LYS  34 -13.018   6.171   1.378
  235   1HD   LYS  34          HD2       LYS  34 -14.451   7.072   3.032
  236   2HD   LYS  34          HD1       LYS  34 -15.463   6.115   1.951
  237   1HE   LYS  34          HE2       LYS  34 -15.420   4.268   3.561
  238   2HE   LYS  34          HE1       LYS  34 -14.397   5.226   4.634
  239   1HZ   LYS  34          HZ1       LYS  34 -16.708   5.316   5.297
  240   2HZ   LYS  34          HZ2       LYS  34 -17.158   5.928   3.788
  241   3HZ   LYS  34          HZ3       LYS  34 -16.179   6.849   4.819
  242    H    SER  35           HN       SER  35 -10.457   2.187   0.201
  243    HA   SER  35           HA       SER  35  -9.393   2.237   2.902
  244   1HB   SER  35          HB2       SER  35 -10.900   0.281   2.934
  245   2HB   SER  35          HB1       SER  35 -10.092  -0.375   1.513
  246    HG   SER  35           HG       SER  35  -9.228  -1.343   3.330
  247    H    CYS  36           HN       CYS  36  -7.256   2.601   2.688
  248    HA   CYS  36           HA       CYS  36  -5.957   2.070   0.139
  249   1HB   CYS  36          HB2       CYS  36  -5.227   3.649   2.540
  250   2HB   CYS  36          HB1       CYS  36  -3.921   3.015   1.563
  251    H    LYS  37           HN       LYS  37  -5.593  -0.063  -0.084
  252    HA   LYS  37           HA       LYS  37  -4.148  -1.390   2.126
  253   1HB   LYS  37          HB2       LYS  37  -5.081  -3.490   1.377
  254   2HB   LYS  37          HB1       LYS  37  -6.327  -2.356   1.782
  255   1HG   LYS  37          HG2       LYS  37  -7.179  -3.290  -0.113
  256   2HG   LYS  37          HG1       LYS  37  -6.448  -1.819  -0.737
  257   1HD   LYS  37          HD2       LYS  37  -6.015  -3.827  -2.122
  258   2HD   LYS  37          HD1       LYS  37  -4.542  -3.075  -1.561
  259   1HE   LYS  37          HE2       LYS  37  -4.443  -5.494  -1.382
  260   2HE   LYS  37          HE1       LYS  37  -4.344  -4.771   0.208
  261   1HZ   LYS  37          HZ1       LYS  37  -6.640  -5.320   0.592
  262   2HZ   LYS  37          HZ2       LYS  37  -5.833  -6.709   0.074
  263   3HZ   LYS  37          HZ3       LYS  37  -6.832  -5.869  -0.999
  264    H    CYS  38           HN       CYS  38  -2.502  -2.845   1.581
  265    HA   CYS  38           HA       CYS  38  -1.098  -2.005  -0.850
  266   1HB   CYS  38          HB2       CYS  38  -0.072  -3.122   1.752
  267   2HB   CYS  38          HB1       CYS  38   0.945  -2.727   0.373
  268    H    TYR  39           HN       TYR  39   0.150  -3.514  -2.039
  269    HA   TYR  39           HA       TYR  39  -1.132  -6.125  -2.256
  270   1HB   TYR  39          HB2       TYR  39   1.017  -4.738  -3.866
  271   2HB   TYR  39          HB1       TYR  39   0.464  -6.374  -4.211
  272    HD1  TYR  39           HD1      TYR  39  -1.526  -6.755  -5.428
  273    HD2  TYR  39           HD2      TYR  39  -0.631  -2.830  -4.063
  274    HE1  TYR  39           HE1      TYR  39  -3.343  -5.860  -6.811
  275    HE2  TYR  39           HE2      TYR  39  -2.420  -1.949  -5.446
  276    HH   TYR  39           HH       TYR  39  -3.675  -3.050  -7.833
  277    H    GLY  40           HN       GLY  40   1.129  -4.998  -0.220
  278   1HA   GLY  40          HA2       GLY  40   2.426  -6.223   1.214
  279   2HA   GLY  40          HA1       GLY  40   2.323  -7.612   0.142
  280    H    CYS  41           HN       CYS  41   4.710  -7.260   1.076
  281    HA   CYS  41           HA       CYS  41   6.233  -6.498  -1.265
  282   1HB   CYS  41          HB2       CYS  41   5.986  -4.384   0.120
  283   2HB   CYS  41          HB1       CYS  41   6.895  -5.172   1.380
  Start of MODEL    9
    1   1H    TRP   1           HT1      TRP   1   4.322   2.421   8.358
    2   2H    TRP   1           HT2      TRP   1   5.372   1.157   8.789
    3   3H    TRP   1           HT3      TRP   1   4.821   2.241   9.985
    4    HA   TRP   1           HA       TRP   1   3.159   0.388   8.446
    5   1HB   TRP   1          HB2       TRP   1   4.220   0.304  11.252
    6   2HB   TRP   1          HB1       TRP   1   2.830  -0.659  10.754
    7    HD1  TRP   1           HD1      TRP   1   6.584  -0.243   9.857
    8    HE1  TRP   1           HE1      TRP   1   7.439  -2.507   8.987
    9    HE3  TRP   1           HE3      TRP   1   2.187  -2.858   9.908
   10    HZ2  TRP   1           HZ2      TRP   1   6.397  -5.064   8.408
   11    HZ3  TRP   1           HZ3      TRP   1   2.206  -5.209   9.182
   12    HH2  TRP   1           HH2      TRP   1   4.269  -6.288   8.448
   13    H    CYS   2           HN       CYS   2   1.364   1.476   7.988
   14    HA   CYS   2           HA       CYS   2   0.374   3.436   9.876
   15   1HB   CYS   2          HB2       CYS   2   0.457   3.890   7.417
   16   2HB   CYS   2          HB1       CYS   2  -0.772   2.652   7.180
   17    H    SER   3           HN       SER   3  -0.884   2.764  11.493
   18    HA   SER   3           HA       SER   3  -2.377   0.284  11.291
   19   1HB   SER   3          HB2       SER   3  -1.194   0.894  13.368
   20   2HB   SER   3          HB1       SER   3  -2.229   2.309  13.543
   21    HG   SER   3           HG       SER   3  -3.950   1.003  13.939
   22    H    THR   4           HN       THR   4  -3.212   3.700  11.992
   23    HA   THR   4           HA       THR   4  -5.627   3.406  10.395
   24    HB   THR   4           HB       THR   4  -5.923   4.322  13.287
   25    HG1  THR   4           HG1      THR   4  -6.502   1.747  12.154
   26   1HG2  THR   4          HG21      THR   4  -7.818   3.803  11.003
   27   2HG2  THR   4          HG22      THR   4  -7.732   5.189  12.093
   28   3HG2  THR   4          HG23      THR   4  -8.351   3.651  12.676
   29    H    CYS   5           HN       CYS   5  -3.347   4.852   9.974
   30    HA   CYS   5           HA       CYS   5  -3.992   7.659  10.512
   31   1HB   CYS   5          HB2       CYS   5  -1.690   7.754   9.031
   32   2HB   CYS   5          HB1       CYS   5  -1.767   7.658  10.780
   33    H    LEU   6           HN       LEU   6  -5.956   6.982   9.134
   34    HA   LEU   6           HA       LEU   6  -5.448   6.772   6.294
   35   1HB   LEU   6          HB2       LEU   6  -8.048   6.913   7.826
   36   2HB   LEU   6          HB1       LEU   6  -7.878   6.495   6.127
   37    HG   LEU   6           HG       LEU   6  -6.807   4.886   8.452
   38   1HD1  LEU   6          HD11      LEU   6  -9.118   4.351   6.584
   39   2HD1  LEU   6          HD12      LEU   6  -9.244   4.813   8.283
   40   3HD1  LEU   6          HD13      LEU   6  -8.524   3.266   7.843
   41   1HD2  LEU   6          HD21      LEU   6  -5.371   4.617   6.550
   42   2HD2  LEU   6          HD22      LEU   6  -6.750   4.390   5.481
   43   3HD2  LEU   6          HD23      LEU   6  -6.370   3.175   6.699
   44    H    ASP   7           HN       ASP   7  -4.414   9.134   6.799
   45    HA   ASP   7           HA       ASP   7  -6.410  11.233   6.406
   46   1HB   ASP   7          HB2       ASP   7  -3.393  11.289   6.588
   47   2HB   ASP   7          HB1       ASP   7  -4.353  12.713   6.195
   48    H    LEU   8           HN       LEU   8  -4.706   8.997   4.596
   49    HA   LEU   8           HA       LEU   8  -4.737  10.613   2.153
   50   1HB   LEU   8          HB2       LEU   8  -3.601   7.862   2.717
   51   2HB   LEU   8          HB1       LEU   8  -3.527   8.681   1.172
   52    HG   LEU   8           HG       LEU   8  -1.397   8.925   2.132
   53   1HD1  LEU   8          HD11      LEU   8  -1.104  11.269   2.251
   54   2HD1  LEU   8          HD12      LEU   8  -2.777  11.526   2.747
   55   3HD1  LEU   8          HD13      LEU   8  -2.417  10.970   1.117
   56   1HD2  LEU   8          HD21      LEU   8  -2.159   8.392   4.482
   57   2HD2  LEU   8          HD22      LEU   8  -2.564  10.101   4.648
   58   3HD2  LEU   8          HD23      LEU   8  -0.905   9.617   4.324
   59    H    ALA   9           HN       ALA   9  -7.111   9.590   3.587
   60    HA   ALA   9           HA       ALA   9  -8.190   7.292   2.686
   61   1HB   ALA   9          HB1       ALA   9  -9.694   9.836   3.285
   62   2HB   ALA   9          HB2       ALA   9  -9.116   8.671   4.475
   63   3HB   ALA   9          HB3       ALA   9 -10.354   8.198   3.313
   64    H    CYS  10           HN       CYS  10  -7.547   7.102   0.505
   65    HA   CYS  10           HA       CYS  10  -7.818   7.081  -1.736
   66   1HB   CYS  10          HB2       CYS  10 -10.655   7.754  -0.938
   67   2HB   CYS  10          HB1       CYS  10 -10.171   7.271  -2.561
   68    H    THR  11           HN       THR  11  -6.789   9.444  -0.605
   69    HA   THR  11           HA       THR  11  -7.989  11.645  -2.093
   70    HB   THR  11           HB       THR  11  -6.029  12.954  -1.168
   71    HG1  THR  11           HG1      THR  11  -4.600  11.958   0.157
   72   1HG2  THR  11          HG21      THR  11  -6.819  12.961   1.139
   73   2HG2  THR  11          HG22      THR  11  -7.680  11.447   0.863
   74   3HG2  THR  11          HG23      THR  11  -8.171  12.911   0.007
   75    H    GLY  12           HN       GLY  12  -5.531   9.258  -2.440
   76   1HA   GLY  12          HA2       GLY  12  -5.255   9.527  -5.151
   77   2HA   GLY  12          HA1       GLY  12  -3.998  10.557  -4.470
   78    H    SER  13           HN       SER  13  -4.258   7.726  -5.838
   79    HA   SER  13           HA       SER  13  -3.173   5.849  -4.046
   80   1HB   SER  13          HB2       SER  13  -2.758   6.027  -7.046
   81   2HB   SER  13          HB1       SER  13  -2.514   4.596  -6.042
   82    HG   SER  13           HG       SER  13  -4.910   5.852  -6.800
   83    H    LYS  14           HN       LYS  14  -1.668   8.300  -6.102
   84    HA   LYS  14           HA       LYS  14   1.005   7.565  -5.755
   85   1HB   LYS  14          HB2       LYS  14   1.585   9.685  -6.574
   86   2HB   LYS  14          HB1       LYS  14   0.081   9.257  -7.382
   87   1HG   LYS  14          HG2       LYS  14  -1.172  10.655  -5.845
   88   2HG   LYS  14          HG1       LYS  14   0.305  11.053  -4.968
   89   1HD   LYS  14          HD2       LYS  14   1.201  11.999  -7.125
   90   2HD   LYS  14          HD1       LYS  14  -0.433  11.818  -7.775
   91   1HE   LYS  14          HE2       LYS  14   0.429  13.485  -5.420
   92   2HE   LYS  14          HE1       LYS  14  -0.167  14.061  -6.976
   93   1HZ   LYS  14          HZ1       LYS  14  -1.710  12.619  -4.897
   94   2HZ   LYS  14          HZ2       LYS  14  -2.302  12.924  -6.447
   95   3HZ   LYS  14          HZ3       LYS  14  -1.923  14.206  -5.416
   96    H    ASP  15           HN       ASP  15  -1.224   9.207  -3.673
   97    HA   ASP  15           HA       ASP  15   0.810  10.154  -1.855
   98   1HB   ASP  15          HB2       ASP  15  -2.216  10.142  -1.668
   99   2HB   ASP  15          HB1       ASP  15  -1.142  10.857  -0.478
  100    H    CYS  16           HN       CYS  16  -1.514   7.512  -2.097
  101    HA   CYS  16           HA       CYS  16  -1.149   6.421   0.489
  102   1HB   CYS  16          HB2       CYS  16  -1.877   5.090  -2.123
  103   2HB   CYS  16          HB1       CYS  16  -1.978   4.318  -0.569
  104    H    TYR  17           HN       TYR  17   0.716   6.270  -2.464
  105    HA   TYR  17           HA       TYR  17   2.285   4.039  -1.985
  106   1HB   TYR  17          HB2       TYR  17   2.978   6.621  -3.366
  107   2HB   TYR  17          HB1       TYR  17   4.001   5.214  -3.430
  108    HD1  TYR  17           HD1      TYR  17   1.225   3.445  -3.558
  109    HD2  TYR  17           HD2      TYR  17   3.015   6.541  -5.871
  110    HE1  TYR  17           HE1      TYR  17   0.033   2.656  -5.523
  111    HE2  TYR  17           HE2      TYR  17   1.793   5.749  -7.848
  112    HH   TYR  17           HH       TYR  17  -0.685   4.178  -7.974
  113    H    ALA  18           HN       ALA  18   2.558   7.252  -0.615
  114    HA   ALA  18           HA       ALA  18   5.198   6.947   0.340
  115   1HB   ALA  18          HB1       ALA  18   4.801   9.124   0.431
  116   2HB   ALA  18          HB2       ALA  18   4.139   8.815   2.032
  117   3HB   ALA  18          HB3       ALA  18   3.066   8.930   0.637
  118    HA   PRO  19           HA       PRO  19   3.288   5.737   4.682
  119   1HB   PRO  19          HB2       PRO  19   0.574   4.824   3.843
  120   2HB   PRO  19          HB1       PRO  19   1.085   5.693   5.296
  121   1HG   PRO  19          HG2       PRO  19  -0.223   6.936   3.340
  122   2HG   PRO  19          HG1       PRO  19   1.082   7.744   4.230
  123   1HD   PRO  19          HD2       PRO  19   1.124   6.537   1.521
  124   2HD   PRO  19          HD1       PRO  19   1.866   8.009   2.097
  125    H    CYS  20           HN       CYS  20   2.114   4.095   1.753
  126    HA   CYS  20           HA       CYS  20   2.251   1.460   2.725
  127   1HB   CYS  20          HB2       CYS  20   1.127   2.100   0.622
  128   2HB   CYS  20          HB1       CYS  20   2.693   2.430  -0.111
  129    H    ARG  21           HN       ARG  21   4.652   3.446   1.014
  130    HA   ARG  21           HA       ARG  21   6.724   1.518   0.972
  131   1HB   ARG  21          HB2       ARG  21   6.664   3.558  -0.418
  132   2HB   ARG  21          HB1       ARG  21   6.902   4.543   1.005
  133   1HG   ARG  21          HG2       ARG  21   8.886   2.441   0.184
  134   2HG   ARG  21          HG1       ARG  21   8.910   4.041  -0.524
  135   1HD   ARG  21          HD2       ARG  21   9.282   3.355   2.390
  136   2HD   ARG  21          HD1       ARG  21  10.483   3.942   1.273
  137    HE   ARG  21           HE       ARG  21   8.452   5.831   1.298
  138   1HH1  ARG  21          HH11      ARG  21  10.838   4.524   3.519
  139   2HH1  ARG  21          HH12      ARG  21  10.914   5.975   4.449
  140   1HH2  ARG  21          HH21      ARG  21   8.544   7.707   2.547
  141   2HH2  ARG  21          HH22      ARG  21   9.617   7.783   3.905
  142    H    LYS  22           HN       LYS  22   5.848   4.069   3.277
  143    HA   LYS  22           HA       LYS  22   8.023   3.668   5.026
  144   1HB   LYS  22          HB2       LYS  22   6.542   5.688   4.975
  145   2HB   LYS  22          HB1       LYS  22   5.265   4.729   5.705
  146   1HG   LYS  22          HG2       LYS  22   6.362   6.079   7.375
  147   2HG   LYS  22          HG1       LYS  22   6.671   4.370   7.684
  148   1HD   LYS  22          HD2       LYS  22   8.882   4.616   6.573
  149   2HD   LYS  22          HD1       LYS  22   8.550   6.336   6.368
  150   1HE   LYS  22          HE2       LYS  22   8.437   6.599   8.785
  151   2HE   LYS  22          HE1       LYS  22   8.703   4.868   9.000
  152   1HZ   LYS  22          HZ1       LYS  22  10.620   6.774   7.764
  153   2HZ   LYS  22          HZ2       LYS  22  10.876   5.112   7.968
  154   3HZ   LYS  22          HZ3       LYS  22  10.732   6.118   9.319
  155    H    GLN  23           HN       GLN  23   5.121   1.868   4.511
  156    HA   GLN  23           HA       GLN  23   5.307   0.496   7.055
  157   1HB   GLN  23          HB2       GLN  23   3.107   1.033   6.246
  158   2HB   GLN  23          HB1       GLN  23   3.409   0.156   4.752
  159   1HG   GLN  23          HG2       GLN  23   3.384  -1.923   5.813
  160   2HG   GLN  23          HG1       GLN  23   3.544  -1.222   7.411
  161   1HE2  GLN  23          HE21      GLN  23   1.524  -3.072   6.347
  162   2HE2  GLN  23          HE22      GLN  23   0.011  -2.278   6.595
  163    H    THR  24           HN       THR  24   5.120  -0.688   3.685
  164    HA   THR  24           HA       THR  24   6.511  -3.093   4.632
  165    HB   THR  24           HB       THR  24   4.261  -3.286   3.544
  166    HG1  THR  24           HG1      THR  24   5.479  -5.128   3.486
  167   1HG2  THR  24          HG21      THR  24   5.469  -2.969   0.867
  168   2HG2  THR  24          HG22      THR  24   5.080  -1.485   1.725
  169   3HG2  THR  24          HG23      THR  24   3.824  -2.676   1.414
  170    H    GLY  25           HN       GLY  25   7.405  -0.287   3.050
  171   1HA   GLY  25          HA2       GLY  25   9.610   0.068   2.338
  172   2HA   GLY  25          HA1       GLY  25   9.775  -1.632   1.936
  173    H    CYS  26           HN       CYS  26   7.329  -1.852   0.466
  174    HA   CYS  26           HA       CYS  26   8.122  -0.503  -1.988
  175   1HB   CYS  26          HB2       CYS  26   6.234  -2.781  -1.443
  176   2HB   CYS  26          HB1       CYS  26   6.473  -2.086  -3.041
  177    HA   PRO  27           HA       PRO  27   4.825   2.352  -1.330
  178   1HB   PRO  27          HB2       PRO  27   4.874   3.641  -3.681
  179   2HB   PRO  27          HB1       PRO  27   6.218   3.734  -2.548
  180   1HG   PRO  27          HG2       PRO  27   5.920   2.103  -5.030
  181   2HG   PRO  27          HG1       PRO  27   7.337   2.981  -4.428
  182   1HD   PRO  27          HD2       PRO  27   6.924   0.262  -4.134
  183   2HD   PRO  27          HD1       PRO  27   7.990   1.247  -3.113
  184    H    ASN  28           HN       ASN  28   4.559  -0.036  -3.851
  185    HA   ASN  28           HA       ASN  28   2.267   0.786  -5.142
  186   1HB   ASN  28          HB2       ASN  28   3.392  -1.966  -4.657
  187   2HB   ASN  28          HB1       ASN  28   1.973  -1.706  -5.660
  188   1HD2  ASN  28          HD21      ASN  28   4.647  -2.721  -6.344
  189   2HD2  ASN  28          HD22      ASN  28   5.190  -1.691  -7.620
  190    H    ALA  29           HN       ALA  29   0.448   1.379  -4.147
  191    HA   ALA  29           HA       ALA  29  -1.041  -0.586  -2.611
  192   1HB   ALA  29          HB1       ALA  29  -0.709   0.416  -0.655
  193   2HB   ALA  29          HB2       ALA  29  -1.482   1.866  -1.271
  194   3HB   ALA  29          HB3       ALA  29   0.262   1.670  -1.408
  195    H    LYS  30           HN       LYS  30  -3.276  -0.151  -2.460
  196    HA   LYS  30           HA       LYS  30  -4.317   1.938  -4.280
  197   1HB   LYS  30          HB2       LYS  30  -4.457  -0.155  -5.462
  198   2HB   LYS  30          HB1       LYS  30  -5.197  -0.955  -4.094
  199   1HG   LYS  30          HG2       LYS  30  -7.116   0.672  -4.361
  200   2HG   LYS  30          HG1       LYS  30  -6.364   1.185  -5.866
  201   1HD   LYS  30          HD2       LYS  30  -7.180  -1.653  -5.220
  202   2HD   LYS  30          HD1       LYS  30  -8.176  -0.506  -6.113
  203   1HE   LYS  30          HE2       LYS  30  -5.462  -1.498  -6.939
  204   2HE   LYS  30          HE1       LYS  30  -6.993  -2.008  -7.612
  205   1HZ   LYS  30          HZ1       LYS  30  -5.741   0.663  -7.833
  206   2HZ   LYS  30          HZ2       LYS  30  -7.361   0.379  -8.238
  207   3HZ   LYS  30          HZ3       LYS  30  -6.125  -0.414  -9.075
  208    H    CYS  31           HN       CYS  31  -6.077   3.028  -3.479
  209    HA   CYS  31           HA       CYS  31  -6.746   2.511  -0.712
  210   1HB   CYS  31          HB2       CYS  31  -6.415   4.813  -1.523
  211   2HB   CYS  31          HB1       CYS  31  -7.843   4.645  -2.535
  212    H    ILE  32           HN       ILE  32  -8.216   1.082  -0.196
  213    HA   ILE  32           HA       ILE  32 -10.759   1.067  -1.663
  214    HB   ILE  32           HB       ILE  32 -10.803  -1.494  -1.082
  215   1HG1  ILE  32          HG12      ILE  32  -8.492  -2.502  -1.495
  216   2HG1  ILE  32          HG11      ILE  32  -7.817  -0.927  -1.130
  217   1HG2  ILE  32          HG21      ILE  32 -10.956  -0.569  -3.317
  218   2HG2  ILE  32          HG22      ILE  32  -9.965  -2.027  -3.297
  219   3HG2  ILE  32          HG23      ILE  32  -9.198  -0.441  -3.401
  220   1HD1  ILE  32          HD11      ILE  32  -8.044  -2.817   0.671
  221   2HD1  ILE  32          HD12      ILE  32  -9.671  -2.162   0.849
  222   3HD1  ILE  32          HD13      ILE  32  -8.265  -1.123   1.094
  223    H    ASN  33           HN       ASN  33 -12.550   0.807  -0.381
  224    HA   ASN  33           HA       ASN  33 -13.782   1.125   1.486
  225   1HB   ASN  33          HB2       ASN  33 -12.817  -1.236   1.862
  226   2HB   ASN  33          HB1       ASN  33 -11.703  -0.487   2.998
  227   1HD2  ASN  33          HD21      ASN  33 -12.532   0.358   4.949
  228   2HD2  ASN  33          HD22      ASN  33 -14.105  -0.079   5.512
  229    H    LYS  34           HN       LYS  34 -11.939   3.136   0.820
  230    HA   LYS  34           HA       LYS  34 -11.071   5.057   1.598
  231   1HB   LYS  34          HB2       LYS  34 -12.438   4.268   4.168
  232   2HB   LYS  34          HB1       LYS  34 -11.771   5.855   3.826
  233   1HG   LYS  34          HG2       LYS  34 -13.346   6.231   2.075
  234   2HG   LYS  34          HG1       LYS  34 -13.953   4.576   2.196
  235   1HD   LYS  34          HD2       LYS  34 -14.733   5.032   4.475
  236   2HD   LYS  34          HD1       LYS  34 -14.131   6.688   4.350
  237   1HE   LYS  34          HE2       LYS  34 -15.691   7.180   2.594
  238   2HE   LYS  34          HE1       LYS  34 -16.209   5.496   2.512
  239   1HZ   LYS  34          HZ1       LYS  34 -17.788   6.844   3.723
  240   2HZ   LYS  34          HZ2       LYS  34 -16.599   7.316   4.829
  241   3HZ   LYS  34          HZ3       LYS  34 -17.091   5.697   4.754
  242    H    SER  35           HN       SER  35  -9.540   2.481   1.920
  243    HA   SER  35           HA       SER  35  -7.507   3.584   3.710
  244   1HB   SER  35          HB2       SER  35  -7.078   1.306   4.642
  245   2HB   SER  35          HB1       SER  35  -8.641   1.975   5.101
  246    HG   SER  35           HG       SER  35  -8.939  -0.142   4.461
  247    H    CYS  36           HN       CYS  36  -5.525   3.519   2.868
  248    HA   CYS  36           HA       CYS  36  -5.144   2.458   0.211
  249   1HB   CYS  36          HB2       CYS  36  -3.066   3.621   2.061
  250   2HB   CYS  36          HB1       CYS  36  -2.985   3.425   0.328
  251    H    LYS  37           HN       LYS  37  -5.241   0.233   0.246
  252    HA   LYS  37           HA       LYS  37  -3.507  -1.224   2.114
  253   1HB   LYS  37          HB2       LYS  37  -5.835  -1.979   1.773
  254   2HB   LYS  37          HB1       LYS  37  -5.478  -2.267   0.077
  255   1HG   LYS  37          HG2       LYS  37  -3.703  -3.903   0.842
  256   2HG   LYS  37          HG1       LYS  37  -4.317  -3.672   2.476
  257   1HD   LYS  37          HD2       LYS  37  -5.316  -5.643   1.611
  258   2HD   LYS  37          HD1       LYS  37  -6.569  -4.403   1.648
  259   1HE   LYS  37          HE2       LYS  37  -6.260  -4.009  -0.742
  260   2HE   LYS  37          HE1       LYS  37  -4.959  -5.199  -0.785
  261   1HZ   LYS  37          HZ1       LYS  37  -7.800  -5.754  -0.115
  262   2HZ   LYS  37          HZ2       LYS  37  -6.555  -6.901  -0.156
  263   3HZ   LYS  37          HZ3       LYS  37  -7.033  -6.121  -1.577
  264    H    CYS  38           HN       CYS  38  -1.656  -2.161   1.511
  265    HA   CYS  38           HA       CYS  38  -0.563  -1.590  -1.089
  266   1HB   CYS  38          HB2       CYS  38   0.566  -3.212   1.185
  267   2HB   CYS  38          HB1       CYS  38   1.463  -2.637  -0.217
  268    H    TYR  39           HN       TYR  39   0.083  -3.071  -2.666
  269    HA   TYR  39           HA       TYR  39  -1.510  -5.501  -2.841
  270   1HB   TYR  39          HB2       TYR  39   0.753  -4.606  -4.657
  271   2HB   TYR  39          HB1       TYR  39  -0.470  -5.819  -5.004
  272    HD1  TYR  39           HD1      TYR  39   0.302  -2.281  -4.941
  273    HD2  TYR  39           HD2      TYR  39  -2.791  -5.124  -5.545
  274    HE1  TYR  39           HE1      TYR  39  -1.027  -0.559  -6.072
  275    HE2  TYR  39           HE2      TYR  39  -4.144  -3.408  -6.675
  276    HH   TYR  39           HH       TYR  39  -3.200  -0.927  -8.024
  277    H    GLY  40           HN       GLY  40   1.490  -4.516  -1.603
  278   1HA   GLY  40          HA2       GLY  40   2.562  -6.285  -0.193
  279   2HA   GLY  40          HA1       GLY  40   2.613  -7.242  -1.670
  280    H    CYS  41           HN       CYS  41   5.003  -7.007  -0.822
  281    HA   CYS  41           HA       CYS  41   6.124  -4.607  -2.034
  282   1HB   CYS  41          HB2       CYS  41   6.664  -5.251   0.399
  283   2HB   CYS  41          HB1       CYS  41   7.655  -6.527  -0.286
  Start of MODEL   10
    1   1H    TRP   1           HT1      TRP   1   4.277  -1.008  10.836
    2   2H    TRP   1           HT2      TRP   1   3.103  -0.768  12.068
    3   3H    TRP   1           HT3      TRP   1   3.769   0.575  11.229
    4    HA   TRP   1           HA       TRP   1   2.829  -0.219   9.209
    5   1HB   TRP   1          HB2       TRP   1   1.546  -2.273  11.009
    6   2HB   TRP   1          HB1       TRP   1   1.042  -1.974   9.348
    7    HD1  TRP   1           HD1      TRP   1   2.810  -2.677   7.403
    8    HE1  TRP   1           HE1      TRP   1   4.625  -4.493   7.370
    9    HE3  TRP   1           HE3      TRP   1   3.216  -3.493  12.428
   10    HZ2  TRP   1           HZ2      TRP   1   6.040  -6.073   9.232
   11    HZ3  TRP   1           HZ3      TRP   1   4.819  -5.180  13.219
   12    HH2  TRP   1           HH2      TRP   1   6.202  -6.442  11.652
   13    H    CYS   2           HN       CYS   2   1.063   0.988   8.616
   14    HA   CYS   2           HA       CYS   2  -0.364   2.368  10.683
   15   1HB   CYS   2          HB2       CYS   2   0.589   3.613   8.740
   16   2HB   CYS   2          HB1       CYS   2  -0.509   2.744   7.674
   17    H    SER   3           HN       SER   3  -1.635   0.626  11.448
   18    HA   SER   3           HA       SER   3  -3.244  -0.957   9.705
   19   1HB   SER   3          HB2       SER   3  -3.639  -0.600  12.689
   20   2HB   SER   3          HB1       SER   3  -4.070  -1.981  11.684
   21    HG   SER   3           HG       SER   3  -2.156  -2.385  12.803
   22    H    THR   4           HN       THR   4  -4.397   1.189  12.335
   23    HA   THR   4           HA       THR   4  -6.808   1.687  10.709
   24    HB   THR   4           HB       THR   4  -7.785   2.293  13.026
   25    HG1  THR   4           HG1      THR   4  -6.630   1.664  14.778
   26   1HG2  THR   4          HG21      THR   4  -6.926  -0.550  12.493
   27   2HG2  THR   4          HG22      THR   4  -8.355   0.243  11.826
   28   3HG2  THR   4          HG23      THR   4  -8.229  -0.034  13.563
   29    H    CYS   5           HN       CYS   5  -4.354   3.193  10.406
   30    HA   CYS   5           HA       CYS   5  -5.368   5.854  11.195
   31   1HB   CYS   5          HB2       CYS   5  -2.890   6.529  10.811
   32   2HB   CYS   5          HB1       CYS   5  -3.340   5.726  12.308
   33    H    LEU   6           HN       LEU   6  -5.445   3.797   8.762
   34    HA   LEU   6           HA       LEU   6  -4.564   5.523   6.609
   35   1HB   LEU   6          HB2       LEU   6  -6.012   2.875   6.645
   36   2HB   LEU   6          HB1       LEU   6  -5.534   3.709   5.175
   37    HG   LEU   6           HG       LEU   6  -3.626   2.688   7.281
   38   1HD1  LEU   6          HD11      LEU   6  -4.283   1.593   4.545
   39   2HD1  LEU   6          HD12      LEU   6  -4.744   0.868   6.087
   40   3HD1  LEU   6          HD13      LEU   6  -3.043   0.976   5.640
   41   1HD2  LEU   6          HD21      LEU   6  -2.726   4.613   6.123
   42   2HD2  LEU   6          HD22      LEU   6  -3.142   3.906   4.562
   43   3HD2  LEU   6          HD23      LEU   6  -1.905   3.157   5.573
   44    H    ASP   7           HN       ASP   7  -6.033   7.244   7.520
   45    HA   ASP   7           HA       ASP   7  -8.852   6.877   6.764
   46   1HB   ASP   7          HB2       ASP   7  -7.377   8.958   8.362
   47   2HB   ASP   7          HB1       ASP   7  -9.002   9.263   7.756
   48    H    LEU   8           HN       LEU   8  -6.266   7.381   5.052
   49    HA   LEU   8           HA       LEU   8  -7.026   9.745   3.600
   50   1HB   LEU   8          HB2       LEU   8  -4.851   7.694   3.173
   51   2HB   LEU   8          HB1       LEU   8  -5.129   9.050   2.096
   52    HG   LEU   8           HG       LEU   8  -4.724  10.571   4.095
   53   1HD1  LEU   8          HD11      LEU   8  -3.789   7.963   5.282
   54   2HD1  LEU   8          HD12      LEU   8  -4.968   9.099   5.937
   55   3HD1  LEU   8          HD13      LEU   8  -3.271   9.543   5.872
   56   1HD2  LEU   8          HD21      LEU   8  -2.457   8.821   3.145
   57   2HD2  LEU   8          HD22      LEU   8  -2.305  10.428   3.860
   58   3HD2  LEU   8          HD23      LEU   8  -3.101  10.231   2.301
   59    H    ALA   9           HN       ALA   9  -9.187   8.323   3.493
   60    HA   ALA   9           HA       ALA   9  -9.446   6.157   1.809
   61   1HB   ALA   9          HB1       ALA   9 -11.470   8.296   2.427
   62   2HB   ALA   9          HB2       ALA   9 -11.166   6.839   3.371
   63   3HB   ALA   9          HB3       ALA   9 -11.837   6.710   1.745
   64    H    CYS  10           HN       CYS  10  -8.081   6.616   0.022
   65    HA   CYS  10           HA       CYS  10  -7.603   7.217  -2.075
   66   1HB   CYS  10          HB2       CYS  10 -10.594   7.675  -2.213
   67   2HB   CYS  10          HB1       CYS  10  -9.535   7.832  -3.605
   68    H    THR  11           HN       THR  11  -6.999   8.987  -0.156
   69    HA   THR  11           HA       THR  11  -7.778  11.650  -1.016
   70    HB   THR  11           HB       THR  11  -5.472  10.841   0.804
   71    HG1  THR  11           HG1      THR  11  -7.046  11.412   2.483
   72   1HG2  THR  11          HG21      THR  11  -5.252  13.106   0.011
   73   2HG2  THR  11          HG22      THR  11  -5.784  13.134   1.690
   74   3HG2  THR  11          HG23      THR  11  -6.940  13.450   0.397
   75    H    GLY  12           HN       GLY  12  -5.354   9.254  -1.627
   76   1HA   GLY  12          HA2       GLY  12  -4.608  10.223  -4.080
   77   2HA   GLY  12          HA1       GLY  12  -3.455  10.904  -2.952
   78    H    SER  13           HN       SER  13  -3.806   8.463  -5.024
   79    HA   SER  13           HA       SER  13  -2.931   6.172  -3.643
   80   1HB   SER  13          HB2       SER  13  -2.176   6.948  -6.480
   81   2HB   SER  13          HB1       SER  13  -2.287   5.322  -5.799
   82    HG   SER  13           HG       SER  13  -4.313   7.045  -6.637
   83    H    LYS  14           HN       LYS  14  -1.158   8.781  -5.248
   84    HA   LYS  14           HA       LYS  14   1.436   7.892  -4.600
   85   1HB   LYS  14          HB2       LYS  14   2.148  10.191  -5.154
   86   2HB   LYS  14          HB1       LYS  14   1.113   9.465  -6.376
   87   1HG   LYS  14          HG2       LYS  14  -0.818  10.725  -5.327
   88   2HG   LYS  14          HG1       LYS  14   0.384  11.568  -4.351
   89   1HD   LYS  14          HD2       LYS  14   1.471  12.385  -6.379
   90   2HD   LYS  14          HD1       LYS  14   0.304  11.507  -7.372
   91   1HE   LYS  14          HE2       LYS  14  -1.509  12.861  -6.321
   92   2HE   LYS  14          HE1       LYS  14  -0.262  13.798  -5.495
   93   1HZ   LYS  14          HZ1       LYS  14  -0.576  13.550  -8.439
   94   2HZ   LYS  14          HZ2       LYS  14   0.617  14.455  -7.648
   95   3HZ   LYS  14          HZ3       LYS  14  -1.010  14.891  -7.505
   96    H    ASP  15           HN       ASP  15  -0.967   9.535  -2.750
   97    HA   ASP  15           HA       ASP  15   0.811  10.532  -0.736
   98   1HB   ASP  15          HB2       ASP  15  -2.189  10.170  -0.816
   99   2HB   ASP  15          HB1       ASP  15  -1.349  10.777   0.597
  100    H    CYS  16           HN       CYS  16  -1.080   7.607  -1.261
  101    HA   CYS  16           HA       CYS  16  -0.483   6.575   1.389
  102   1HB   CYS  16          HB2       CYS  16  -1.913   5.357  -0.981
  103   2HB   CYS  16          HB1       CYS  16  -1.724   4.588   0.590
  104    H    TYR  17           HN       TYR  17   1.007   6.512  -1.717
  105    HA   TYR  17           HA       TYR  17   2.337   4.048  -1.663
  106   1HB   TYR  17          HB2       TYR  17   3.142   6.740  -2.772
  107   2HB   TYR  17          HB1       TYR  17   4.135   5.305  -2.995
  108    HD1  TYR  17           HD1      TYR  17   3.292   6.725  -5.336
  109    HD2  TYR  17           HD2      TYR  17   1.155   3.765  -3.133
  110    HE1  TYR  17           HE1      TYR  17   2.015   6.136  -7.346
  111    HE2  TYR  17           HE2      TYR  17  -0.102   3.192  -5.127
  112    HH   TYR  17           HH       TYR  17   0.618   3.592  -7.963
  113    H    ALA  18           HN       ALA  18   3.247   7.131  -0.170
  114    HA   ALA  18           HA       ALA  18   5.769   6.275   0.753
  115   1HB   ALA  18          HB1       ALA  18   5.232   8.227   2.510
  116   2HB   ALA  18          HB2       ALA  18   4.001   8.583   1.298
  117   3HB   ALA  18          HB3       ALA  18   5.695   8.518   0.837
  118    HA   PRO  19           HA       PRO  19   3.469   5.335   5.064
  119   1HB   PRO  19          HB2       PRO  19   0.851   4.617   3.783
  120   2HB   PRO  19          HB1       PRO  19   1.187   5.275   5.391
  121   1HG   PRO  19          HG2       PRO  19   0.262   6.841   3.469
  122   2HG   PRO  19          HG1       PRO  19   1.513   7.425   4.583
  123   1HD   PRO  19          HD2       PRO  19   1.782   6.571   1.759
  124   2HD   PRO  19          HD1       PRO  19   2.615   7.825   2.636
  125    H    CYS  20           HN       CYS  20   2.400   3.679   2.066
  126    HA   CYS  20           HA       CYS  20   2.560   1.083   3.202
  127   1HB   CYS  20          HB2       CYS  20   2.419   2.114   0.387
  128   2HB   CYS  20          HB1       CYS  20   2.709   0.400   0.683
  129    H    ARG  21           HN       ARG  21   4.926   3.042   1.441
  130    HA   ARG  21           HA       ARG  21   6.965   1.081   1.303
  131   1HB   ARG  21          HB2       ARG  21   7.254   3.113   0.062
  132   2HB   ARG  21          HB1       ARG  21   7.080   4.090   1.511
  133   1HG   ARG  21          HG2       ARG  21   9.203   3.077   2.370
  134   2HG   ARG  21          HG1       ARG  21   9.368   2.274   0.819
  135   1HD   ARG  21          HD2       ARG  21   9.117   5.232   1.154
  136   2HD   ARG  21          HD1       ARG  21  10.659   4.390   1.102
  137    HE   ARG  21           HE       ARG  21   9.635   3.539  -1.179
  138   1HH1  ARG  21          HH11      ARG  21   9.547   6.794   0.172
  139   2HH1  ARG  21          HH12      ARG  21   9.628   7.545  -1.371
  140   1HH2  ARG  21          HH21      ARG  21   9.763   4.583  -3.207
  141   2HH2  ARG  21          HH22      ARG  21   9.753   6.314  -3.282
  142    H    LYS  22           HN       LYS  22   6.129   3.526   3.723
  143    HA   LYS  22           HA       LYS  22   8.167   2.942   5.573
  144   1HB   LYS  22          HB2       LYS  22   6.630   4.953   5.431
  145   2HB   LYS  22          HB1       LYS  22   5.410   3.996   6.259
  146   1HG   LYS  22          HG2       LYS  22   7.020   3.699   8.140
  147   2HG   LYS  22          HG1       LYS  22   8.127   4.795   7.307
  148   1HD   LYS  22          HD2       LYS  22   5.377   5.419   8.371
  149   2HD   LYS  22          HD1       LYS  22   6.919   6.063   8.937
  150   1HE   LYS  22          HE2       LYS  22   5.685   6.575   6.217
  151   2HE   LYS  22          HE1       LYS  22   5.705   7.677   7.575
  152   1HZ   LYS  22          HZ1       LYS  22   7.438   8.245   6.054
  153   2HZ   LYS  22          HZ2       LYS  22   8.096   6.692   6.130
  154   3HZ   LYS  22          HZ3       LYS  22   8.130   7.693   7.495
  155    H    GLN  23           HN       GLN  23   5.076   1.456   4.945
  156    HA   GLN  23           HA       GLN  23   4.955  -0.012   7.405
  157   1HB   GLN  23          HB2       GLN  23   3.384   0.011   4.852
  158   2HB   GLN  23          HB1       GLN  23   3.149  -1.292   5.996
  159   1HG   GLN  23          HG2       GLN  23   2.474   0.212   7.672
  160   2HG   GLN  23          HG1       GLN  23   2.878   1.613   6.723
  161   1HE2  GLN  23          HE21      GLN  23   0.639  -1.054   7.125
  162   2HE2  GLN  23          HE22      GLN  23  -0.610  -0.378   6.142
  163    H    THR  24           HN       THR  24   5.290  -1.134   4.010
  164    HA   THR  24           HA       THR  24   6.554  -3.561   5.118
  165    HB   THR  24           HB       THR  24   5.917  -4.557   2.875
  166    HG1  THR  24           HG1      THR  24   4.713  -3.380   1.514
  167   1HG2  THR  24          HG21      THR  24   3.586  -4.883   3.485
  168   2HG2  THR  24          HG22      THR  24   3.690  -3.546   4.630
  169   3HG2  THR  24          HG23      THR  24   4.641  -5.010   4.892
  170    H    GLY  25           HN       GLY  25   7.124  -0.940   2.832
  171   1HA   GLY  25          HA2       GLY  25   9.656  -0.643   2.628
  172   2HA   GLY  25          HA1       GLY  25   9.636  -2.283   2.006
  173    H    CYS  26           HN       CYS  26   7.382  -2.232   0.394
  174    HA   CYS  26           HA       CYS  26   8.418  -0.603  -1.787
  175   1HB   CYS  26          HB2       CYS  26   6.322  -2.731  -1.851
  176   2HB   CYS  26          HB1       CYS  26   7.082  -2.009  -3.248
  177    HA   PRO  27           HA       PRO  27   4.997   2.217  -1.474
  178   1HB   PRO  27          HB2       PRO  27   5.429   3.676  -3.658
  179   2HB   PRO  27          HB1       PRO  27   6.642   3.595  -2.377
  180   1HG   PRO  27          HG2       PRO  27   6.553   2.107  -4.974
  181   2HG   PRO  27          HG1       PRO  27   7.918   2.942  -4.210
  182   1HD   PRO  27          HD2       PRO  27   7.454   0.226  -4.046
  183   2HD   PRO  27          HD1       PRO  27   8.409   1.165  -2.881
  184    H    ASN  28           HN       ASN  28   4.575  -0.487  -3.012
  185    HA   ASN  28           HA       ASN  28   2.695   0.288  -5.070
  186   1HB   ASN  28          HB2       ASN  28   3.494  -2.402  -3.945
  187   2HB   ASN  28          HB1       ASN  28   2.280  -2.198  -5.193
  188   1HD2  ASN  28          HD21      ASN  28   3.338  -3.290  -6.774
  189   2HD2  ASN  28          HD22      ASN  28   4.801  -2.712  -7.487
  190    H    ALA  29           HN       ALA  29   0.810   1.123  -4.404
  191    HA   ALA  29           HA       ALA  29  -0.801  -0.382  -2.467
  192   1HB   ALA  29          HB1       ALA  29  -1.110   1.378  -0.984
  193   2HB   ALA  29          HB2       ALA  29  -0.457   2.581  -2.097
  194   3HB   ALA  29          HB3       ALA  29   0.619   1.424  -1.333
  195    H    LYS  30           HN       LYS  30  -3.011   0.246  -2.405
  196    HA   LYS  30           HA       LYS  30  -3.959   2.231  -4.296
  197   1HB   LYS  30          HB2       LYS  30  -3.996   0.157  -5.661
  198   2HB   LYS  30          HB1       LYS  30  -5.003  -0.618  -4.440
  199   1HG   LYS  30          HG2       LYS  30  -6.684   1.242  -4.836
  200   2HG   LYS  30          HG1       LYS  30  -5.690   1.719  -6.209
  201   1HD   LYS  30          HD2       LYS  30  -6.049  -0.449  -7.230
  202   2HD   LYS  30          HD1       LYS  30  -6.961  -0.989  -5.815
  203   1HE   LYS  30          HE2       LYS  30  -8.600   0.825  -6.227
  204   2HE   LYS  30          HE1       LYS  30  -7.712   1.256  -7.690
  205   1HZ   LYS  30          HZ1       LYS  30  -8.183  -0.941  -8.575
  206   2HZ   LYS  30          HZ2       LYS  30  -9.613  -0.130  -8.180
  207   3HZ   LYS  30          HZ3       LYS  30  -9.031  -1.353  -7.167
  208    H    CYS  31           HN       CYS  31  -5.987   3.039  -3.683
  209    HA   CYS  31           HA       CYS  31  -6.687   2.464  -0.917
  210   1HB   CYS  31          HB2       CYS  31  -8.063   4.475  -1.048
  211   2HB   CYS  31          HB1       CYS  31  -6.426   4.771  -1.572
  212    H    ILE  32           HN       ILE  32  -8.198   1.028  -0.397
  213    HA   ILE  32           HA       ILE  32 -10.296   0.415  -2.377
  214    HB   ILE  32           HB       ILE  32  -9.325  -1.154   0.015
  215   1HG1  ILE  32          HG12      ILE  32  -9.035  -2.931  -1.781
  216   2HG1  ILE  32          HG11      ILE  32  -9.365  -1.677  -2.971
  217   1HG2  ILE  32          HG21      ILE  32 -11.811  -1.506  -1.642
  218   2HG2  ILE  32          HG22      ILE  32 -11.646  -1.465   0.114
  219   3HG2  ILE  32          HG23      ILE  32 -11.060  -2.852  -0.786
  220   1HD1  ILE  32          HD11      ILE  32  -7.362  -0.599  -2.551
  221   2HD1  ILE  32          HD12      ILE  32  -6.944  -2.307  -2.443
  222   3HD1  ILE  32          HD13      ILE  32  -7.159  -1.360  -0.972
  223    H    ASN  33           HN       ASN  33 -11.661   2.031  -2.119
  224    HA   ASN  33           HA       ASN  33 -13.243   3.400  -1.281
  225   1HB   ASN  33          HB2       ASN  33 -15.181   2.178  -0.509
  226   2HB   ASN  33          HB1       ASN  33 -14.372   1.320  -1.808
  227   1HD2  ASN  33          HD21      ASN  33 -15.172  -0.678  -1.342
  228   2HD2  ASN  33          HD22      ASN  33 -14.777  -1.542   0.100
  229    H    LYS  34           HN       LYS  34 -10.961   3.080   0.711
  230    HA   LYS  34           HA       LYS  34 -11.762   4.747   2.712
  231   1HB   LYS  34          HB2       LYS  34 -13.321   3.117   3.545
  232   2HB   LYS  34          HB1       LYS  34 -12.107   1.848   3.458
  233   1HG   LYS  34          HG2       LYS  34 -10.830   3.048   5.232
  234   2HG   LYS  34          HG1       LYS  34 -12.161   4.202   5.338
  235   1HD   LYS  34          HD2       LYS  34 -13.673   2.435   6.001
  236   2HD   LYS  34          HD1       LYS  34 -12.405   1.225   5.780
  237   1HE   LYS  34          HE2       LYS  34 -11.094   2.257   7.556
  238   2HE   LYS  34          HE1       LYS  34 -12.331   3.499   7.765
  239   1HZ   LYS  34          HZ1       LYS  34 -12.709   0.587   8.209
  240   2HZ   LYS  34          HZ2       LYS  34 -13.897   1.777   8.409
  241   3HZ   LYS  34          HZ3       LYS  34 -12.537   1.763   9.412
  242    H    SER  35           HN       SER  35 -10.050   1.634   2.492
  243    HA   SER  35           HA       SER  35  -7.756   2.933   3.811
  244   1HB   SER  35          HB2       SER  35  -7.165   0.494   4.360
  245   2HB   SER  35          HB1       SER  35  -8.552   1.217   5.172
  246    HG   SER  35           HG       SER  35  -8.870  -0.941   4.246
  247    H    CYS  36           HN       CYS  36  -5.874   3.137   2.824
  248    HA   CYS  36           HA       CYS  36  -5.480   2.153   0.149
  249   1HB   CYS  36          HB2       CYS  36  -3.652   3.622   2.032
  250   2HB   CYS  36          HB1       CYS  36  -3.223   3.174   0.382
  251    H    LYS  37           HN       LYS  37  -5.377  -0.011   0.063
  252    HA   LYS  37           HA       LYS  37  -3.804  -1.480   2.007
  253   1HB   LYS  37          HB2       LYS  37  -5.932  -2.390   1.219
  254   2HB   LYS  37          HB1       LYS  37  -5.315  -2.422  -0.428
  255   1HG   LYS  37          HG2       LYS  37  -3.617  -4.059   0.230
  256   2HG   LYS  37          HG1       LYS  37  -4.204  -3.996   1.891
  257   1HD   LYS  37          HD2       LYS  37  -5.075  -5.955   0.766
  258   2HD   LYS  37          HD1       LYS  37  -6.389  -4.839   1.134
  259   1HE   LYS  37          HE2       LYS  37  -6.425  -4.069  -1.160
  260   2HE   LYS  37          HE1       LYS  37  -5.014  -5.053  -1.550
  261   1HZ   LYS  37          HZ1       LYS  37  -7.675  -6.079  -0.709
  262   2HZ   LYS  37          HZ2       LYS  37  -6.324  -7.032  -1.080
  263   3HZ   LYS  37          HZ3       LYS  37  -7.054  -6.095  -2.282
  264    H    CYS  38           HN       CYS  38  -1.786  -2.046   1.751
  265    HA   CYS  38           HA       CYS  38  -0.316  -1.378  -0.662
  266   1HB   CYS  38          HB2       CYS  38   0.809  -2.933   1.657
  267   2HB   CYS  38          HB1       CYS  38   1.601  -1.767   0.597
  268    H    TYR  39           HN       TYR  39   0.712  -2.921  -2.015
  269    HA   TYR  39           HA       TYR  39  -0.805  -5.359  -2.298
  270   1HB   TYR  39          HB2       TYR  39   1.489  -4.196  -3.871
  271   2HB   TYR  39          HB1       TYR  39   0.741  -5.732  -4.281
  272    HD1  TYR  39           HD1      TYR  39   0.470  -2.163  -4.555
  273    HD2  TYR  39           HD2      TYR  39  -1.694  -5.785  -4.921
  274    HE1  TYR  39           HE1      TYR  39  -1.193  -0.993  -5.910
  275    HE2  TYR  39           HE2      TYR  39  -3.385  -4.633  -6.280
  276    HH   TYR  39           HH       TYR  39  -3.049  -2.111  -7.872
  277    H    GLY  40           HN       GLY  40   1.085  -5.065   0.064
  278   1HA   GLY  40          HA2       GLY  40   2.346  -6.435   1.316
  279   2HA   GLY  40          HA1       GLY  40   1.836  -7.730   0.246
  280    H    CYS  41           HN       CYS  41   4.109  -5.003   0.402
  281    HA   CYS  41           HA       CYS  41   6.223  -6.766  -0.587
  282   1HB   CYS  41          HB2       CYS  41   5.214  -5.696  -2.591
  283   2HB   CYS  41          HB1       CYS  41   5.599  -4.136  -1.937
  Start of MODEL   11
    1   1H    TRP   1           HT1      TRP   1   4.781   4.836  11.339
    2   2H    TRP   1           HT2      TRP   1   3.440   3.940  11.933
    3   3H    TRP   1           HT3      TRP   1   3.284   5.617  11.604
    4    HA   TRP   1           HA       TRP   1   3.564   5.310   9.328
    5   1HB   TRP   1          HB2       TRP   1   3.778   3.024   8.370
    6   2HB   TRP   1          HB1       TRP   1   5.167   3.492   9.340
    7    HD1  TRP   1           HD1      TRP   1   2.070   1.206   9.511
    8    HE1  TRP   1           HE1      TRP   1   2.553  -0.682  11.190
    9    HE3  TRP   1           HE3      TRP   1   6.579   2.828  11.275
   10    HZ2  TRP   1           HZ2      TRP   1   4.579  -1.390  13.015
   11    HZ3  TRP   1           HZ3      TRP   1   7.727   1.485  12.985
   12    HH2  TRP   1           HH2      TRP   1   6.745  -0.579  13.836
   13    H    CYS   2           HN       CYS   2   1.858   4.478   7.889
   14    HA   CYS   2           HA       CYS   2  -0.645   4.646   9.285
   15   1HB   CYS   2          HB2       CYS   2  -0.114   5.799   7.129
   16   2HB   CYS   2          HB1       CYS   2  -0.158   4.239   6.322
   17    H    SER   3           HN       SER   3  -0.859   2.750  10.454
   18    HA   SER   3           HA       SER   3  -0.877   0.187   9.030
   19   1HB   SER   3          HB2       SER   3   0.198   0.414  11.275
   20   2HB   SER   3          HB1       SER   3  -1.388   0.752  11.965
   21    HG   SER   3           HG       SER   3  -0.429  -1.638  10.803
   22    H    THR   4           HN       THR   4  -3.006   2.690   9.536
   23    HA   THR   4           HA       THR   4  -5.344   0.896   9.519
   24    HB   THR   4           HB       THR   4  -5.308   3.810  10.398
   25    HG1  THR   4           HG1      THR   4  -4.105   2.790  11.928
   26   1HG2  THR   4          HG21      THR   4  -7.438   3.200  11.442
   27   2HG2  THR   4          HG22      THR   4  -7.306   1.574  10.773
   28   3HG2  THR   4          HG23      THR   4  -7.476   2.959   9.702
   29    H    CYS   5           HN       CYS   5  -4.516   4.241   8.530
   30    HA   CYS   5           HA       CYS   5  -4.960   5.427   6.644
   31   1HB   CYS   5          HB2       CYS   5  -5.013   2.704   5.306
   32   2HB   CYS   5          HB1       CYS   5  -4.847   4.255   4.515
   33    H    LEU   6           HN       LEU   6  -7.146   4.823   8.292
   34    HA   LEU   6           HA       LEU   6  -9.348   4.103   6.525
   35   1HB   LEU   6          HB2       LEU   6  -9.268   3.273   8.837
   36   2HB   LEU   6          HB1       LEU   6  -9.318   4.922   9.434
   37    HG   LEU   6           HG       LEU   6 -11.576   5.172   8.398
   38   1HD1  LEU   6          HD11      LEU   6 -11.397   3.513   6.642
   39   2HD1  LEU   6          HD12      LEU   6 -12.766   3.148   7.685
   40   3HD1  LEU   6          HD13      LEU   6 -11.270   2.224   7.840
   41   1HD2  LEU   6          HD21      LEU   6 -11.306   2.875  10.333
   42   2HD2  LEU   6          HD22      LEU   6 -12.758   3.838  10.050
   43   3HD2  LEU   6          HD23      LEU   6 -11.329   4.588  10.756
   44    H    ASP   7           HN       ASP   7  -7.875   6.916   7.944
   45    HA   ASP   7           HA       ASP   7 -10.079   8.662   7.122
   46   1HB   ASP   7          HB2       ASP   7  -8.706  10.457   8.193
   47   2HB   ASP   7          HB1       ASP   7  -9.160   9.151   9.281
   48    H    LEU   8           HN       LEU   8  -7.608   7.226   5.593
   49    HA   LEU   8           HA       LEU   8  -7.017   9.534   3.877
   50   1HB   LEU   8          HB2       LEU   8  -5.126   8.315   5.082
   51   2HB   LEU   8          HB1       LEU   8  -5.494   6.934   4.067
   52    HG   LEU   8           HG       LEU   8  -5.015   8.382   2.062
   53   1HD1  LEU   8          HD11      LEU   8  -3.812  10.454   2.384
   54   2HD1  LEU   8          HD12      LEU   8  -3.970  10.300   4.133
   55   3HD1  LEU   8          HD13      LEU   8  -5.397  10.555   3.138
   56   1HD2  LEU   8          HD21      LEU   8  -3.369   6.820   3.170
   57   2HD2  LEU   8          HD22      LEU   8  -2.685   8.231   3.952
   58   3HD2  LEU   8          HD23      LEU   8  -2.685   8.108   2.193
   59    H    ALA   9           HN       ALA   9  -9.421   7.916   3.884
   60    HA   ALA   9           HA       ALA   9  -9.543   5.814   2.158
   61   1HB   ALA   9          HB1       ALA   9 -11.345   6.528   3.635
   62   2HB   ALA   9          HB2       ALA   9 -11.919   6.275   1.987
   63   3HB   ALA   9          HB3       ALA   9 -11.660   7.914   2.592
   64    H    CYS  10           HN       CYS  10  -8.113   6.276   0.440
   65    HA   CYS  10           HA       CYS  10  -7.533   6.826  -1.636
   66   1HB   CYS  10          HB2       CYS  10  -9.906   5.825  -2.028
   67   2HB   CYS  10          HB1       CYS  10 -10.419   7.483  -2.249
   68    H    THR  11           HN       THR  11  -7.127   8.782   0.185
   69    HA   THR  11           HA       THR  11  -8.116  11.320  -0.827
   70    HB   THR  11           HB       THR  11  -5.770  10.891   1.050
   71    HG1  THR  11           HG1      THR  11  -7.695   9.841   1.833
   72   1HG2  THR  11          HG21      THR  11  -7.697  13.186   0.684
   73   2HG2  THR  11          HG22      THR  11  -6.003  13.160   0.195
   74   3HG2  THR  11          HG23      THR  11  -6.427  13.098   1.903
   75    H    GLY  12           HN       GLY  12  -5.570   9.108  -1.448
   76   1HA   GLY  12          HA2       GLY  12  -4.848  10.167  -3.857
   77   2HA   GLY  12          HA1       GLY  12  -3.737  10.901  -2.704
   78    H    SER  13           HN       SER  13  -3.831   8.535  -4.859
   79    HA   SER  13           HA       SER  13  -2.906   6.258  -3.467
   80   1HB   SER  13          HB2       SER  13  -2.302   7.135  -6.304
   81   2HB   SER  13          HB1       SER  13  -2.041   5.516  -5.650
   82    HG   SER  13           HG       SER  13  -4.037   5.713  -6.778
   83    H    LYS  14           HN       LYS  14  -1.156   8.946  -5.023
   84    HA   LYS  14           HA       LYS  14   1.441   8.117  -4.254
   85   1HB   LYS  14          HB2       LYS  14   2.144  10.398  -4.743
   86   2HB   LYS  14          HB1       LYS  14   1.096   9.775  -6.011
   87   1HG   LYS  14          HG2       LYS  14  -0.768  11.041  -5.194
   88   2HG   LYS  14          HG1       LYS  14   0.144  11.564  -3.782
   89   1HD   LYS  14          HD2       LYS  14   1.699  12.777  -5.205
   90   2HD   LYS  14          HD1       LYS  14   0.816  12.243  -6.639
   91   1HE   LYS  14          HE2       LYS  14   0.215  14.524  -5.991
   92   2HE   LYS  14          HE1       LYS  14  -1.163  13.430  -5.892
   93   1HZ   LYS  14          HZ1       LYS  14   0.496  14.125  -3.530
   94   2HZ   LYS  14          HZ2       LYS  14  -1.030  13.394  -3.563
   95   3HZ   LYS  14          HZ3       LYS  14  -0.866  15.015  -3.994
   96    H    ASP  15           HN       ASP  15  -1.071   9.899  -2.639
   97    HA   ASP  15           HA       ASP  15   0.501  10.889  -0.496
   98   1HB   ASP  15          HB2       ASP  15  -2.466  10.387  -0.778
   99   2HB   ASP  15          HB1       ASP  15  -1.755  11.103   0.659
  100    H    CYS  16           HN       CYS  16  -1.139   7.841  -1.102
  101    HA   CYS  16           HA       CYS  16  -0.580   6.916   1.615
  102   1HB   CYS  16          HB2       CYS  16  -2.729   6.395   0.368
  103   2HB   CYS  16          HB1       CYS  16  -1.787   5.312  -0.648
  104    H    TYR  17           HN       TYR  17   0.845   6.834  -1.536
  105    HA   TYR  17           HA       TYR  17   2.184   4.402  -1.471
  106   1HB   TYR  17          HB2       TYR  17   2.812   7.034  -2.787
  107   2HB   TYR  17          HB1       TYR  17   3.940   5.691  -2.925
  108    HD1  TYR  17           HD1      TYR  17   2.782   6.908  -5.312
  109    HD2  TYR  17           HD2      TYR  17   1.261   3.752  -2.878
  110    HE1  TYR  17           HE1      TYR  17   1.520   6.025  -7.221
  111    HE2  TYR  17           HE2      TYR  17   0.020   2.892  -4.772
  112    HH   TYR  17           HH       TYR  17  -0.863   4.328  -7.243
  113    H    ALA  18           HN       ALA  18   3.280   7.514  -0.188
  114    HA   ALA  18           HA       ALA  18   5.833   6.615   0.566
  115   1HB   ALA  18          HB1       ALA  18   5.355   8.589   2.384
  116   2HB   ALA  18          HB2       ALA  18   4.187   8.979   1.121
  117   3HB   ALA  18          HB3       ALA  18   5.893   8.830   0.726
  118    HA   PRO  19           HA       PRO  19   3.957   5.639   5.003
  119   1HB   PRO  19          HB2       PRO  19   1.097   5.257   4.234
  120   2HB   PRO  19          HB1       PRO  19   1.799   5.944   5.703
  121   1HG   PRO  19          HG2       PRO  19   0.681   7.501   3.863
  122   2HG   PRO  19          HG1       PRO  19   2.143   8.013   4.729
  123   1HD   PRO  19          HD2       PRO  19   1.871   6.970   1.965
  124   2HD   PRO  19          HD1       PRO  19   2.896   8.236   2.586
  125    H    CYS  20           HN       CYS  20   2.443   4.313   2.074
  126    HA   CYS  20           HA       CYS  20   2.141   1.661   3.000
  127   1HB   CYS  20          HB2       CYS  20   0.967   2.454   1.021
  128   2HB   CYS  20          HB1       CYS  20   2.493   2.709   0.181
  129    H    ARG  21           HN       ARG  21   4.747   3.218   1.123
  130    HA   ARG  21           HA       ARG  21   6.365   0.877   0.982
  131   1HB   ARG  21          HB2       ARG  21   6.660   2.755  -0.551
  132   2HB   ARG  21          HB1       ARG  21   7.145   3.793   0.781
  133   1HG   ARG  21          HG2       ARG  21   9.138   2.471   1.144
  134   2HG   ARG  21          HG1       ARG  21   8.628   1.317  -0.089
  135   1HD   ARG  21          HD2       ARG  21  10.341   2.915  -0.882
  136   2HD   ARG  21          HD1       ARG  21   8.833   2.965  -1.800
  137    HE   ARG  21           HE       ARG  21   9.014   4.893   0.359
  138   1HH1  ARG  21          HH11      ARG  21   9.779   4.307  -3.025
  139   2HH1  ARG  21          HH12      ARG  21   9.651   5.972  -3.447
  140   1HH2  ARG  21          HH21      ARG  21   8.872   7.081  -0.227
  141   2HH2  ARG  21          HH22      ARG  21   9.148   7.550  -1.872
  142    H    LYS  22           HN       LYS  22   5.993   3.486   3.305
  143    HA   LYS  22           HA       LYS  22   8.250   2.801   4.909
  144   1HB   LYS  22          HB2       LYS  22   7.078   4.994   4.906
  145   2HB   LYS  22          HB1       LYS  22   5.720   4.255   5.733
  146   1HG   LYS  22          HG2       LYS  22   7.063   3.769   7.658
  147   2HG   LYS  22          HG1       LYS  22   8.527   4.315   6.837
  148   1HD   LYS  22          HD2       LYS  22   6.141   6.045   7.522
  149   2HD   LYS  22          HD1       LYS  22   7.665   5.999   8.407
  150   1HE   LYS  22          HE2       LYS  22   8.837   6.724   6.336
  151   2HE   LYS  22          HE1       LYS  22   7.270   6.883   5.547
  152   1HZ   LYS  22          HZ1       LYS  22   6.644   8.542   7.174
  153   2HZ   LYS  22          HZ2       LYS  22   8.056   8.993   6.360
  154   3HZ   LYS  22          HZ3       LYS  22   8.149   8.395   7.938
  155    H    GLN  23           HN       GLN  23   5.010   1.585   4.596
  156    HA   GLN  23           HA       GLN  23   5.011   0.123   7.083
  157   1HB   GLN  23          HB2       GLN  23   2.889   0.856   6.284
  158   2HB   GLN  23          HB1       GLN  23   3.170   0.176   4.695
  159   1HG   GLN  23          HG2       GLN  23   1.595  -1.178   5.855
  160   2HG   GLN  23          HG1       GLN  23   3.075  -2.100   5.673
  161   1HE2  GLN  23          HE21      GLN  23   4.359  -2.497   7.546
  162   2HE2  GLN  23          HE22      GLN  23   3.690  -2.322   9.122
  163    H    THR  24           HN       THR  24   4.836  -0.931   3.661
  164    HA   THR  24           HA       THR  24   5.638  -3.598   4.489
  165    HB   THR  24           HB       THR  24   5.140  -4.213   2.123
  166    HG1  THR  24           HG1      THR  24   4.577  -2.672   0.673
  167   1HG2  THR  24          HG21      THR  24   2.995  -2.559   3.454
  168   2HG2  THR  24          HG22      THR  24   3.352  -4.255   3.783
  169   3HG2  THR  24          HG23      THR  24   2.746  -3.773   2.200
  170    H    GLY  25           HN       GLY  25   7.030  -0.923   2.680
  171   1HA   GLY  25          HA2       GLY  25   9.466  -0.832   2.470
  172   2HA   GLY  25          HA1       GLY  25   9.459  -2.565   2.178
  173    H    CYS  26           HN       CYS  26   6.829  -2.043   0.645
  174    HA   CYS  26           HA       CYS  26   8.086  -1.108  -1.836
  175   1HB   CYS  26          HB2       CYS  26   6.123  -3.342  -1.367
  176   2HB   CYS  26          HB1       CYS  26   6.376  -2.635  -2.939
  177    HA   PRO  27           HA       PRO  27   4.842   1.922  -1.666
  178   1HB   PRO  27          HB2       PRO  27   5.353   3.227  -3.935
  179   2HB   PRO  27          HB1       PRO  27   6.549   3.172  -2.640
  180   1HG   PRO  27          HG2       PRO  27   6.401   1.491  -5.117
  181   2HG   PRO  27          HG1       PRO  27   7.793   2.358  -4.442
  182   1HD   PRO  27          HD2       PRO  27   7.326  -0.311  -4.037
  183   2HD   PRO  27          HD1       PRO  27   8.221   0.721  -2.901
  184    H    ASN  28           HN       ASN  28   4.241  -0.834  -3.011
  185    HA   ASN  28           HA       ASN  28   2.430  -0.052  -5.139
  186   1HB   ASN  28          HB2       ASN  28   3.122  -2.747  -3.953
  187   2HB   ASN  28          HB1       ASN  28   1.938  -2.516  -5.229
  188   1HD2  ASN  28          HD21      ASN  28   5.291  -2.591  -4.454
  189   2HD2  ASN  28          HD22      ASN  28   5.871  -2.469  -6.069
  190    H    ALA  29           HN       ALA  29   0.784   1.085  -4.244
  191    HA   ALA  29           HA       ALA  29  -1.034  -0.404  -2.467
  192   1HB   ALA  29          HB1       ALA  29  -0.769   1.049  -0.822
  193   2HB   ALA  29          HB2       ALA  29  -1.303   2.358  -1.870
  194   3HB   ALA  29          HB3       ALA  29   0.409   1.957  -1.762
  195    H    LYS  30           HN       LYS  30  -3.217   0.505  -2.462
  196    HA   LYS  30           HA       LYS  30  -3.972   2.272  -4.612
  197   1HB   LYS  30          HB2       LYS  30  -3.774   0.073  -5.766
  198   2HB   LYS  30          HB1       LYS  30  -4.969  -0.589  -4.661
  199   1HG   LYS  30          HG2       LYS  30  -6.666   0.890  -5.515
  200   2HG   LYS  30          HG1       LYS  30  -5.479   1.736  -6.511
  201   1HD   LYS  30          HD2       LYS  30  -6.643   0.243  -7.939
  202   2HD   LYS  30          HD1       LYS  30  -5.035  -0.436  -7.690
  203   1HE   LYS  30          HE2       LYS  30  -6.100  -1.854  -5.842
  204   2HE   LYS  30          HE1       LYS  30  -7.648  -1.314  -6.483
  205   1HZ   LYS  30          HZ1       LYS  30  -7.054  -2.277  -8.616
  206   2HZ   LYS  30          HZ2       LYS  30  -6.991  -3.441  -7.393
  207   3HZ   LYS  30          HZ3       LYS  30  -5.561  -2.783  -8.000
  208    H    CYS  31           HN       CYS  31  -6.110   3.054  -4.317
  209    HA   CYS  31           HA       CYS  31  -7.079   2.673  -1.600
  210   1HB   CYS  31          HB2       CYS  31  -8.474   4.550  -1.983
  211   2HB   CYS  31          HB1       CYS  31  -6.853   4.943  -2.513
  212    H    ILE  32           HN       ILE  32  -8.437   1.061  -1.192
  213    HA   ILE  32           HA       ILE  32 -10.420   0.307  -3.248
  214    HB   ILE  32           HB       ILE  32  -9.447  -1.221  -0.823
  215   1HG1  ILE  32          HG12      ILE  32  -8.966  -2.970  -2.601
  216   2HG1  ILE  32          HG11      ILE  32  -9.311  -1.735  -3.807
  217   1HG2  ILE  32          HG21      ILE  32 -11.806  -1.728  -2.626
  218   2HG2  ILE  32          HG22      ILE  32 -11.767  -1.633  -0.864
  219   3HG2  ILE  32          HG23      ILE  32 -11.042  -3.007  -1.682
  220   1HD1  ILE  32          HD11      ILE  32  -7.400  -0.539  -3.287
  221   2HD1  ILE  32          HD12      ILE  32  -6.887  -2.217  -3.159
  222   3HD1  ILE  32          HD13      ILE  32  -7.230  -1.292  -1.699
  223    H    ASN  33           HN       ASN  33 -12.175   1.380  -3.024
  224    HA   ASN  33           HA       ASN  33 -13.128   3.233  -1.624
  225   1HB   ASN  33          HB2       ASN  33 -14.798   0.780  -2.163
  226   2HB   ASN  33          HB1       ASN  33 -15.483   2.333  -1.689
  227   1HD2  ASN  33          HD21      ASN  33 -15.395   4.067  -3.136
  228   2HD2  ASN  33          HD22      ASN  33 -15.091   3.811  -4.817
  229    H    LYS  34           HN       LYS  34 -12.071   3.282   0.392
  230    HA   LYS  34           HA       LYS  34 -13.482   3.264   2.667
  231   1HB   LYS  34          HB2       LYS  34 -13.944   0.862   2.508
  232   2HB   LYS  34          HB1       LYS  34 -12.224   0.515   2.376
  233   1HG   LYS  34          HG2       LYS  34 -11.941   1.439   4.669
  234   2HG   LYS  34          HG1       LYS  34 -13.689   1.662   4.749
  235   1HD   LYS  34          HD2       LYS  34 -14.030  -0.724   4.524
  236   2HD   LYS  34          HD1       LYS  34 -12.295  -0.982   4.315
  237   1HE   LYS  34          HE2       LYS  34 -11.902  -0.102   6.571
  238   2HE   LYS  34          HE1       LYS  34 -13.639   0.129   6.778
  239   1HZ   LYS  34          HZ1       LYS  34 -12.277  -2.474   6.343
  240   2HZ   LYS  34          HZ2       LYS  34 -13.945  -2.255   6.543
  241   3HZ   LYS  34          HZ3       LYS  34 -12.887  -1.904   7.814
  242    H    SER  35           HN       SER  35 -10.458   1.777   1.565
  243    HA   SER  35           HA       SER  35  -8.850   3.792   2.910
  244   1HB   SER  35          HB2       SER  35  -7.604   1.980   4.190
  245   2HB   SER  35          HB1       SER  35  -9.233   2.321   4.770
  246    HG   SER  35           HG       SER  35  -8.701   0.046   4.519
  247    H    CYS  36           HN       CYS  36  -6.516   3.420   2.453
  248    HA   CYS  36           HA       CYS  36  -6.176   2.197  -0.186
  249   1HB   CYS  36          HB2       CYS  36  -3.939   3.280  -0.164
  250   2HB   CYS  36          HB1       CYS  36  -5.290   4.397  -0.079
  251    H    LYS  37           HN       LYS  37  -5.320   0.245  -0.419
  252    HA   LYS  37           HA       LYS  37  -3.922  -0.934   1.908
  253   1HB   LYS  37          HB2       LYS  37  -6.208  -1.847   1.259
  254   2HB   LYS  37          HB1       LYS  37  -5.458  -2.431  -0.219
  255   1HG   LYS  37          HG2       LYS  37  -3.866  -3.744   1.181
  256   2HG   LYS  37          HG1       LYS  37  -4.745  -3.198   2.609
  257   1HD   LYS  37          HD2       LYS  37  -5.574  -5.354   2.096
  258   2HD   LYS  37          HD1       LYS  37  -6.825  -4.214   1.600
  259   1HE   LYS  37          HE2       LYS  37  -5.950  -4.364  -0.730
  260   2HE   LYS  37          HE1       LYS  37  -4.812  -5.591  -0.178
  261   1HZ   LYS  37          HZ1       LYS  37  -7.772  -5.790  -0.064
  262   2HZ   LYS  37          HZ2       LYS  37  -6.683  -6.978   0.456
  263   3HZ   LYS  37          HZ3       LYS  37  -6.767  -6.566  -1.181
  264    H    CYS  38           HN       CYS  38  -2.094  -2.120   1.548
  265    HA   CYS  38           HA       CYS  38  -0.722  -1.600  -0.974
  266   1HB   CYS  38          HB2       CYS  38   0.276  -2.872   1.575
  267   2HB   CYS  38          HB1       CYS  38   1.265  -2.399   0.197
  268    H    TYR  39           HN       TYR  39   0.219  -3.242  -2.226
  269    HA   TYR  39           HA       TYR  39  -1.229  -5.769  -2.239
  270   1HB   TYR  39          HB2       TYR  39   1.028  -4.735  -3.976
  271   2HB   TYR  39          HB1       TYR  39   0.182  -6.257  -4.231
  272    HD1  TYR  39           HD1      TYR  39   0.100  -2.692  -4.764
  273    HD2  TYR  39           HD2      TYR  39  -2.265  -6.222  -4.811
  274    HE1  TYR  39           HE1      TYR  39  -1.565  -1.536  -6.137
  275    HE2  TYR  39           HE2      TYR  39  -3.946  -5.075  -6.182
  276    HH   TYR  39           HH       TYR  39  -3.466  -2.480  -7.904
  277    H    GLY  40           HN       GLY  40   1.453  -4.503  -0.666
  278   1HA   GLY  40          HA2       GLY  40   2.606  -5.759   0.956
  279   2HA   GLY  40          HA1       GLY  40   2.467  -7.194  -0.048
  280    H    CYS  41           HN       CYS  41   4.862  -7.077   0.598
  281    HA   CYS  41           HA       CYS  41   6.264  -5.867  -1.680
  282   1HB   CYS  41          HB2       CYS  41   6.508  -4.396   0.361
  283   2HB   CYS  41          HB1       CYS  41   7.305  -5.734   1.165
  Start of MODEL   12
    1   1H    TRP   1           HT1      TRP   1  -0.867  -0.836  13.464
    2   2H    TRP   1           HT2      TRP   1  -0.559   0.148  12.090
    3   3H    TRP   1           HT3      TRP   1  -0.520   0.826  13.668
    4    HA   TRP   1           HA       TRP   1   1.330  -0.547  14.247
    5   1HB   TRP   1          HB2       TRP   1   0.915  -2.429  12.775
    6   2HB   TRP   1          HB1       TRP   1   1.136  -1.414  11.353
    7    HD1  TRP   1           HD1      TRP   1   3.411  -1.816  10.265
    8    HE1  TRP   1           HE1      TRP   1   5.767  -2.463  11.070
    9    HE3  TRP   1           HE3      TRP   1   2.495  -2.141  15.285
   10    HZ2  TRP   1           HZ2      TRP   1   7.068  -3.025  13.510
   11    HZ3  TRP   1           HZ3      TRP   1   4.351  -2.734  16.785
   12    HH2  TRP   1           HH2      TRP   1   6.588  -3.168  15.914
   13    H    CYS   2           HN       CYS   2   1.129   0.810  10.957
   14    HA   CYS   2           HA       CYS   2   3.600   2.211  11.238
   15   1HB   CYS   2          HB2       CYS   2   2.817   3.372   9.085
   16   2HB   CYS   2          HB1       CYS   2   3.083   1.639   9.046
   17    H    SER   3           HN       SER   3   3.945   3.997  12.307
   18    HA   SER   3           HA       SER   3   1.956   5.362  13.716
   19   1HB   SER   3          HB2       SER   3   4.723   6.407  13.078
   20   2HB   SER   3          HB1       SER   3   3.721   6.785  14.482
   21    HG   SER   3           HG       SER   3   4.081   4.775  15.286
   22    H    THR   4           HN       THR   4   3.186   5.916  10.497
   23    HA   THR   4           HA       THR   4   1.975   8.591  10.426
   24    HB   THR   4           HB       THR   4   3.521   7.346   8.139
   25    HG1  THR   4           HG1      THR   4   4.654   8.601  10.461
   26   1HG2  THR   4          HG21      THR   4   3.248  10.174   9.176
   27   2HG2  THR   4          HG22      THR   4   2.399   9.506   7.783
   28   3HG2  THR   4          HG23      THR   4   4.152   9.674   7.749
   29    H    CYS   5           HN       CYS   5   0.201   6.368  10.600
   30    HA   CYS   5           HA       CYS   5  -1.056   6.496   7.936
   31   1HB   CYS   5          HB2       CYS   5  -0.996   4.170   9.856
   32   2HB   CYS   5          HB1       CYS   5  -1.980   4.241   8.397
   33    H    LEU   6           HN       LEU   6  -2.323   8.232   8.474
   34    HA   LEU   6           HA       LEU   6  -4.234   7.944  10.684
   35   1HB   LEU   6          HB2       LEU   6  -3.686  10.210   8.755
   36   2HB   LEU   6          HB1       LEU   6  -4.951  10.253   9.949
   37    HG   LEU   6           HG       LEU   6  -3.211  11.514  10.847
   38   1HD1  LEU   6          HD11      LEU   6  -2.687  10.397  12.881
   39   2HD1  LEU   6          HD12      LEU   6  -2.945   8.813  12.156
   40   3HD1  LEU   6          HD13      LEU   6  -4.308   9.909  12.394
   41   1HD2  LEU   6          HD21      LEU   6  -0.935  10.901  10.973
   42   2HD2  LEU   6          HD22      LEU   6  -1.440  10.591   9.315
   43   3HD2  LEU   6          HD23      LEU   6  -1.259   9.252  10.450
   44    H    ASP   7           HN       ASP   7  -6.442   9.281   9.471
   45    HA   ASP   7           HA       ASP   7  -7.561   7.033   8.068
   46   1HB   ASP   7          HB2       ASP   7  -8.736   9.723   8.802
   47   2HB   ASP   7          HB1       ASP   7  -9.645   8.418   8.044
   48    H    LEU   8           HN       LEU   8  -5.747   7.488   6.373
   49    HA   LEU   8           HA       LEU   8  -6.437   9.509   4.400
   50   1HB   LEU   8          HB2       LEU   8  -4.250   7.457   4.656
   51   2HB   LEU   8          HB1       LEU   8  -4.539   8.252   3.123
   52    HG   LEU   8           HG       LEU   8  -4.195  10.455   4.276
   53   1HD1  LEU   8          HD11      LEU   8  -3.230   8.683   6.514
   54   2HD1  LEU   8          HD12      LEU   8  -4.586   9.809   6.564
   55   3HD1  LEU   8          HD13      LEU   8  -2.946  10.420   6.398
   56   1HD2  LEU   8          HD21      LEU   8  -1.887   8.513   4.319
   57   2HD2  LEU   8          HD22      LEU   8  -1.771  10.273   4.248
   58   3HD2  LEU   8          HD23      LEU   8  -2.479   9.382   2.903
   59    H    ALA   9           HN       ALA   9  -8.393   7.440   4.984
   60    HA   ALA   9           HA       ALA   9  -8.416   5.234   3.428
   61   1HB   ALA   9          HB1       ALA   9 -10.002   5.701   5.222
   62   2HB   ALA   9          HB2       ALA   9 -10.818   5.172   3.752
   63   3HB   ALA   9          HB3       ALA   9 -10.820   6.880   4.198
   64    H    CYS  10           HN       CYS  10  -7.517   5.766   1.405
   65    HA   CYS  10           HA       CYS  10  -7.561   6.145  -0.764
   66   1HB   CYS  10          HB2       CYS  10  -9.723   4.720  -0.394
   67   2HB   CYS  10          HB1       CYS  10 -10.564   6.220  -0.754
   68    H    THR  11           HN       THR  11  -7.262   8.345   0.799
   69    HA   THR  11           HA       THR  11  -8.820  10.497  -0.360
   70    HB   THR  11           HB       THR  11  -8.008  10.686   1.973
   71    HG1  THR  11           HG1      THR  11  -8.307  12.650   1.023
   72   1HG2  THR  11          HG21      THR  11  -5.846   9.459   1.602
   73   2HG2  THR  11          HG22      THR  11  -5.703  10.951   2.510
   74   3HG2  THR  11          HG23      THR  11  -5.235  10.908   0.816
   75    H    GLY  12           HN       GLY  12  -5.952   8.733  -1.049
   76   1HA   GLY  12          HA2       GLY  12  -5.649   9.839  -3.604
   77   2HA   GLY  12          HA1       GLY  12  -4.484  10.604  -2.526
   78    H    SER  13           HN       SER  13  -4.415   8.494  -4.802
   79    HA   SER  13           HA       SER  13  -3.474   6.083  -3.661
   80   1HB   SER  13          HB2       SER  13  -2.719   7.204  -6.375
   81   2HB   SER  13          HB1       SER  13  -2.749   5.510  -5.878
   82    HG   SER  13           HG       SER  13  -4.612   6.272  -7.111
   83    H    LYS  14           HN       LYS  14  -1.809   9.019  -4.767
   84    HA   LYS  14           HA       LYS  14   0.798   8.027  -4.182
   85   1HB   LYS  14          HB2       LYS  14  -0.147  10.846  -4.603
   86   2HB   LYS  14          HB1       LYS  14   1.539  10.337  -4.557
   87   1HG   LYS  14          HG2       LYS  14   1.211   8.991  -6.549
   88   2HG   LYS  14          HG1       LYS  14  -0.497   9.439  -6.590
   89   1HD   LYS  14          HD2       LYS  14   0.155  11.807  -6.853
   90   2HD   LYS  14          HD1       LYS  14   1.852  11.322  -6.867
   91   1HE   LYS  14          HE2       LYS  14  -0.226  10.408  -8.857
   92   2HE   LYS  14          HE1       LYS  14   0.923  11.717  -9.122
   93   1HZ   LYS  14          HZ1       LYS  14   1.574   8.855  -8.689
   94   2HZ   LYS  14          HZ2       LYS  14   2.729  10.089  -8.793
   95   3HZ   LYS  14          HZ3       LYS  14   1.746   9.732 -10.122
   96    H    ASP  15           HN       ASP  15  -1.677   9.673  -2.433
   97    HA   ASP  15           HA       ASP  15  -0.088  10.441  -0.183
   98   1HB   ASP  15          HB2       ASP  15  -3.053  10.032  -0.585
   99   2HB   ASP  15          HB1       ASP  15  -2.380  10.453   0.984
  100    H    CYS  16           HN       CYS  16  -1.743   7.520  -1.198
  101    HA   CYS  16           HA       CYS  16  -1.390   6.194   1.349
  102   1HB   CYS  16          HB2       CYS  16  -2.247   5.172  -1.356
  103   2HB   CYS  16          HB1       CYS  16  -2.187   4.190   0.082
  104    H    TYR  17           HN       TYR  17   0.356   6.454  -1.688
  105    HA   TYR  17           HA       TYR  17   1.996   4.207  -1.519
  106   1HB   TYR  17          HB2       TYR  17   2.562   6.965  -2.621
  107   2HB   TYR  17          HB1       TYR  17   3.672   5.614  -2.824
  108    HD1  TYR  17           HD1      TYR  17   2.378   7.245  -5.038
  109    HD2  TYR  17           HD2      TYR  17   1.262   3.566  -3.195
  110    HE1  TYR  17           HE1      TYR  17   1.199   6.571  -7.079
  111    HE2  TYR  17           HE2      TYR  17   0.100   2.916  -5.232
  112    HH   TYR  17           HH       TYR  17  -0.972   4.666  -7.418
  113    H    ALA  18           HN       ALA  18   2.398   7.374  -0.001
  114    HA   ALA  18           HA       ALA  18   5.013   6.969   0.908
  115   1HB   ALA  18          HB1       ALA  18   4.650   9.132   1.206
  116   2HB   ALA  18          HB2       ALA  18   3.962   8.708   2.769
  117   3HB   ALA  18          HB3       ALA  18   2.911   8.939   1.373
  118    HA   PRO  19           HA       PRO  19   3.274   5.483   5.209
  119   1HB   PRO  19          HB2       PRO  19   0.494   4.659   4.549
  120   2HB   PRO  19          HB1       PRO  19   1.140   5.524   5.941
  121   1HG   PRO  19          HG2       PRO  19  -0.295   6.782   4.094
  122   2HG   PRO  19          HG1       PRO  19   1.063   7.566   4.925
  123   1HD   PRO  19          HD2       PRO  19   0.956   6.386   2.203
  124   2HD   PRO  19          HD1       PRO  19   1.717   7.862   2.743
  125    H    CYS  20           HN       CYS  20   2.021   4.019   2.222
  126    HA   CYS  20           HA       CYS  20   2.174   1.324   3.089
  127   1HB   CYS  20          HB2       CYS  20   0.955   1.987   1.054
  128   2HB   CYS  20          HB1       CYS  20   2.471   2.438   0.287
  129    H    ARG  21           HN       ARG  21   4.494   3.490   1.490
  130    HA   ARG  21           HA       ARG  21   6.612   1.601   1.303
  131   1HB   ARG  21          HB2       ARG  21   6.618   3.649  -0.014
  132   2HB   ARG  21          HB1       ARG  21   6.669   4.622   1.452
  133   1HG   ARG  21          HG2       ARG  21   8.877   3.687   1.986
  134   2HG   ARG  21          HG1       ARG  21   8.814   2.732   0.505
  135   1HD   ARG  21          HD2       ARG  21   8.761   4.737  -0.820
  136   2HD   ARG  21          HD1       ARG  21   8.700   5.745   0.629
  137    HE   ARG  21           HE       ARG  21  10.977   4.341   0.998
  138   1HH1  ARG  21          HH11      ARG  21   9.779   6.234  -1.714
  139   2HH1  ARG  21          HH12      ARG  21  11.357   6.697  -2.220
  140   1HH2  ARG  21          HH21      ARG  21  13.046   4.996   0.329
  141   2HH2  ARG  21          HH22      ARG  21  13.217   6.006  -1.068
  142    H    LYS  22           HN       LYS  22   5.581   3.901   3.772
  143    HA   LYS  22           HA       LYS  22   7.772   3.573   5.527
  144   1HB   LYS  22          HB2       LYS  22   4.904   4.383   5.991
  145   2HB   LYS  22          HB1       LYS  22   6.097   4.410   7.266
  146   1HG   LYS  22          HG2       LYS  22   6.251   5.980   4.702
  147   2HG   LYS  22          HG1       LYS  22   5.730   6.622   6.251
  148   1HD   LYS  22          HD2       LYS  22   8.463   5.433   5.690
  149   2HD   LYS  22          HD1       LYS  22   8.084   7.146   5.688
  150   1HE   LYS  22          HE2       LYS  22   7.778   5.306   8.062
  151   2HE   LYS  22          HE1       LYS  22   9.092   6.441   7.796
  152   1HZ   LYS  22          HZ1       LYS  22   7.569   7.481   9.229
  153   2HZ   LYS  22          HZ2       LYS  22   6.241   7.080   8.269
  154   3HZ   LYS  22          HZ3       LYS  22   7.360   8.230   7.727
  155    H    GLN  23           HN       GLN  23   4.842   1.724   5.025
  156    HA   GLN  23           HA       GLN  23   5.227   0.136   7.412
  157   1HB   GLN  23          HB2       GLN  23   2.980   0.687   6.599
  158   2HB   GLN  23          HB1       GLN  23   3.299  -0.179   5.102
  159   1HG   GLN  23          HG2       GLN  23   3.583  -2.263   6.442
  160   2HG   GLN  23          HG1       GLN  23   3.125  -1.344   7.875
  161   1HE2  GLN  23          HE21      GLN  23   1.302  -2.627   8.239
  162   2HE2  GLN  23          HE22      GLN  23  -0.091  -2.527   7.222
  163    H    THR  24           HN       THR  24   5.116  -0.631   3.924
  164    HA   THR  24           HA       THR  24   6.268  -3.237   4.475
  165    HB   THR  24           HB       THR  24   5.792  -3.710   2.106
  166    HG1  THR  24           HG1      THR  24   5.111  -2.129   0.742
  167   1HG2  THR  24          HG21      THR  24   3.499  -2.311   3.491
  168   2HG2  THR  24          HG22      THR  24   3.983  -3.991   3.729
  169   3HG2  THR  24          HG23      THR  24   3.364  -3.465   2.164
  170    H    GLY  25           HN       GLY  25   7.265  -0.228   2.945
  171   1HA   GLY  25          HA2       GLY  25   9.609   0.276   2.682
  172   2HA   GLY  25          HA1       GLY  25   9.921  -1.425   2.389
  173    H    CYS  26           HN       CYS  26   7.282  -1.410   0.795
  174    HA   CYS  26           HA       CYS  26   8.512  -0.560  -1.703
  175   1HB   CYS  26          HB2       CYS  26   6.222  -2.443  -1.149
  176   2HB   CYS  26          HB1       CYS  26   6.797  -2.022  -2.761
  177    HA   PRO  27           HA       PRO  27   5.584   2.764  -1.803
  178   1HB   PRO  27          HB2       PRO  27   6.369   3.926  -4.053
  179   2HB   PRO  27          HB1       PRO  27   7.490   3.738  -2.701
  180   1HG   PRO  27          HG2       PRO  27   7.288   2.133  -5.211
  181   2HG   PRO  27          HG1       PRO  27   8.732   2.701  -4.355
  182   1HD   PRO  27          HD2       PRO  27   7.595   0.150  -4.145
  183   2HD   PRO  27          HD1       PRO  27   8.779   0.871  -3.036
  184    H    ASN  28           HN       ASN  28   4.842   0.027  -3.272
  185    HA   ASN  28           HA       ASN  28   2.975   1.185  -5.223
  186   1HB   ASN  28          HB2       ASN  28   4.147  -1.563  -4.892
  187   2HB   ASN  28          HB1       ASN  28   2.707  -1.294  -5.872
  188   1HD2  ASN  28          HD21      ASN  28   2.880  -0.229  -7.822
  189   2HD2  ASN  28          HD22      ASN  28   4.409   0.123  -8.545
  190    H    ALA  29           HN       ALA  29   0.996   1.481  -4.577
  191    HA   ALA  29           HA       ALA  29  -0.346  -0.417  -2.830
  192   1HB   ALA  29          HB1       ALA  29  -0.548   0.913  -1.034
  193   2HB   ALA  29          HB2       ALA  29  -0.703   2.389  -1.984
  194   3HB   ALA  29          HB3       ALA  29   0.886   1.703  -1.671
  195    H    LYS  30           HN       LYS  30  -2.630   0.382  -2.403
  196    HA   LYS  30           HA       LYS  30  -3.806   1.999  -4.523
  197   1HB   LYS  30          HB2       LYS  30  -3.795  -0.231  -5.503
  198   2HB   LYS  30          HB1       LYS  30  -4.547  -0.910  -4.068
  199   1HG   LYS  30          HG2       LYS  30  -6.558   0.447  -4.515
  200   2HG   LYS  30          HG1       LYS  30  -5.781   1.077  -5.969
  201   1HD   LYS  30          HD2       LYS  30  -5.662  -1.200  -6.873
  202   2HD   LYS  30          HD1       LYS  30  -6.444  -1.818  -5.418
  203   1HE   LYS  30          HE2       LYS  30  -8.050  -1.599  -7.215
  204   2HE   LYS  30          HE1       LYS  30  -8.423  -0.451  -5.931
  205   1HZ   LYS  30          HZ1       LYS  30  -7.525   1.316  -7.212
  206   2HZ   LYS  30          HZ2       LYS  30  -8.567   0.455  -8.222
  207   3HZ   LYS  30          HZ3       LYS  30  -6.895   0.263  -8.380
  208    H    CYS  31           HN       CYS  31  -5.748   2.947  -3.809
  209    HA   CYS  31           HA       CYS  31  -6.255   2.482  -0.958
  210   1HB   CYS  31          HB2       CYS  31  -7.243   4.583  -0.872
  211   2HB   CYS  31          HB1       CYS  31  -5.740   4.758  -1.709
  212    H    ILE  32           HN       ILE  32  -8.035   1.632  -0.210
  213    HA   ILE  32           HA       ILE  32 -10.359   1.339  -2.023
  214    HB   ILE  32           HB       ILE  32 -11.066  -0.558  -0.578
  215   1HG1  ILE  32          HG12      ILE  32  -8.256  -0.372   0.550
  216   2HG1  ILE  32          HG11      ILE  32  -9.725   0.028   1.428
  217   1HG2  ILE  32          HG21      ILE  32  -9.611  -2.204  -1.582
  218   2HG2  ILE  32          HG22      ILE  32  -8.382  -0.976  -1.887
  219   3HG2  ILE  32          HG23      ILE  32  -9.928  -0.909  -2.731
  220   1HD1  ILE  32          HD11      ILE  32  -8.875  -2.669   0.439
  221   2HD1  ILE  32          HD12      ILE  32 -10.469  -2.323   1.108
  222   3HD1  ILE  32          HD13      ILE  32  -9.029  -2.121   2.105
  223    H    ASN  33           HN       ASN  33 -12.394   1.741  -1.050
  224    HA   ASN  33           HA       ASN  33 -12.339   3.986   0.673
  225   1HB   ASN  33          HB2       ASN  33 -14.077   3.696  -1.007
  226   2HB   ASN  33          HB1       ASN  33 -14.669   2.259  -0.183
  227   1HD2  ASN  33          HD21      ASN  33 -14.306   5.759   0.073
  228   2HD2  ASN  33          HD22      ASN  33 -15.575   5.969   1.226
  229    H    LYS  34           HN       LYS  34 -11.141   3.179   2.392
  230    HA   LYS  34           HA       LYS  34 -12.377   2.734   4.777
  231   1HB   LYS  34          HB2       LYS  34 -11.980   0.199   3.300
  232   2HB   LYS  34          HB1       LYS  34 -11.288   0.192   4.915
  233   1HG   LYS  34          HG2       LYS  34 -13.488   0.869   5.816
  234   2HG   LYS  34          HG1       LYS  34 -14.164   0.723   4.200
  235   1HD   LYS  34          HD2       LYS  34 -13.408  -1.653   4.163
  236   2HD   LYS  34          HD1       LYS  34 -12.902  -1.461   5.845
  237   1HE   LYS  34          HE2       LYS  34 -15.231  -0.855   6.432
  238   2HE   LYS  34          HE1       LYS  34 -15.700  -1.160   4.758
  239   1HZ   LYS  34          HZ1       LYS  34 -14.547  -3.160   6.627
  240   2HZ   LYS  34          HZ2       LYS  34 -15.000  -3.457   5.022
  241   3HZ   LYS  34          HZ3       LYS  34 -16.171  -3.048   6.170
  242    H    SER  35           HN       SER  35  -9.589   1.645   2.856
  243    HA   SER  35           HA       SER  35  -7.741   3.090   4.544
  244   1HB   SER  35          HB2       SER  35  -8.187   1.032   5.876
  245   2HB   SER  35          HB1       SER  35  -7.635   0.054   4.517
  246    HG   SER  35           HG       SER  35  -5.914   0.331   5.900
  247    H    CYS  36           HN       CYS  36  -5.458   2.708   3.822
  248    HA   CYS  36           HA       CYS  36  -5.328   2.362   0.911
  249   1HB   CYS  36          HB2       CYS  36  -3.166   3.153   2.870
  250   2HB   CYS  36          HB1       CYS  36  -3.071   3.189   1.126
  251    H    LYS  37           HN       LYS  37  -4.915   0.364   0.134
  252    HA   LYS  37           HA       LYS  37  -3.576  -1.587   1.910
  253   1HB   LYS  37          HB2       LYS  37  -4.584  -3.296   0.602
  254   2HB   LYS  37          HB1       LYS  37  -5.838  -2.176   1.096
  255   1HG   LYS  37          HG2       LYS  37  -5.956  -1.196  -1.066
  256   2HG   LYS  37          HG1       LYS  37  -4.548  -2.087  -1.634
  257   1HD   LYS  37          HD2       LYS  37  -7.198  -3.277  -0.826
  258   2HD   LYS  37          HD1       LYS  37  -6.607  -3.067  -2.475
  259   1HE   LYS  37          HE2       LYS  37  -4.691  -4.549  -1.929
  260   2HE   LYS  37          HE1       LYS  37  -5.397  -4.824  -0.339
  261   1HZ   LYS  37          HZ1       LYS  37  -6.668  -5.514  -2.920
  262   2HZ   LYS  37          HZ2       LYS  37  -7.339  -5.773  -1.386
  263   3HZ   LYS  37          HZ3       LYS  37  -5.935  -6.596  -1.846
  264    H    CYS  38           HN       CYS  38  -2.122  -3.133   0.864
  265    HA   CYS  38           HA       CYS  38  -0.722  -2.015  -1.495
  266   1HB   CYS  38          HB2       CYS  38   0.648  -3.269   0.899
  267   2HB   CYS  38          HB1       CYS  38   1.406  -2.499  -0.492
  268    H    TYR  39           HN       TYR  39   0.357  -3.587  -2.793
  269    HA   TYR  39           HA       TYR  39  -0.963  -6.202  -2.730
  270   1HB   TYR  39          HB2       TYR  39   1.117  -5.255  -4.717
  271   2HB   TYR  39          HB1       TYR  39  -0.069  -6.537  -4.910
  272    HD1  TYR  39           HD1      TYR  39   0.588  -2.990  -5.205
  273    HD2  TYR  39           HD2      TYR  39  -2.476  -5.948  -5.252
  274    HE1  TYR  39           HE1      TYR  39  -0.918  -1.405  -6.319
  275    HE2  TYR  39           HE2      TYR  39  -3.990  -4.367  -6.366
  276    HH   TYR  39           HH       TYR  39  -3.293  -1.988  -7.990
  277    H    GLY  40           HN       GLY  40   1.040  -5.436  -0.661
  278   1HA   GLY  40          HA2       GLY  40   2.771  -6.496   0.426
  279   2HA   GLY  40          HA1       GLY  40   3.012  -7.548  -0.969
  280    H    CYS  41           HN       CYS  41   3.501  -6.227  -3.018
  281    HA   CYS  41           HA       CYS  41   4.844  -3.714  -2.633
  282   1HB   CYS  41          HB2       CYS  41   6.345  -6.120  -3.697
  283   2HB   CYS  41          HB1       CYS  41   6.879  -4.461  -3.933
  Start of MODEL   13
    1   1H    TRP   1           HT1      TRP   1   1.896   1.806  11.376
    2   2H    TRP   1           HT2      TRP   1   2.832   0.538  12.033
    3   3H    TRP   1           HT3      TRP   1   3.169   1.139  10.471
    4    HA   TRP   1           HA       TRP   1   3.273   2.814  12.849
    5   1HB   TRP   1          HB2       TRP   1   5.777   2.466  12.763
    6   2HB   TRP   1          HB1       TRP   1   4.844   1.089  13.324
    7    HD1  TRP   1           HD1      TRP   1   4.365  -0.836  11.289
    8    HE1  TRP   1           HE1      TRP   1   6.050  -1.728   9.565
    9    HE3  TRP   1           HE3      TRP   1   7.795   2.943  11.492
   10    HZ2  TRP   1           HZ2      TRP   1   8.525  -0.946   8.463
   11    HZ3  TRP   1           HZ3      TRP   1   9.802   2.788  10.079
   12    HH2  TRP   1           HH2      TRP   1  10.156   0.883   8.596
   13    H    CYS   2           HN       CYS   2   2.086   3.789  10.747
   14    HA   CYS   2           HA       CYS   2   3.996   5.142   8.995
   15   1HB   CYS   2          HB2       CYS   2   1.978   6.212   8.031
   16   2HB   CYS   2          HB1       CYS   2   1.889   4.455   8.010
   17    H    SER   3           HN       SER   3   4.398   7.369   9.074
   18    HA   SER   3           HA       SER   3   4.065   8.545  11.735
   19   1HB   SER   3          HB2       SER   3   5.611   9.599   9.355
   20   2HB   SER   3          HB1       SER   3   5.768  10.093  11.044
   21    HG   SER   3           HG       SER   3   6.722   8.182  11.523
   22    H    THR   4           HN       THR   4   1.732   8.315  10.090
   23    HA   THR   4           HA       THR   4   0.767  11.001  10.152
   24    HB   THR   4           HB       THR   4   1.893  11.044   7.969
   25    HG1  THR   4           HG1      THR   4  -0.014  12.160   7.893
   26   1HG2  THR   4          HG21      THR   4   1.564   9.506   6.243
   27   2HG2  THR   4          HG22      THR   4   0.193   8.750   7.028
   28   3HG2  THR   4          HG23      THR   4   1.813   8.509   7.667
   29    H    CYS   5           HN       CYS   5  -1.243   9.827   7.994
   30    HA   CYS   5           HA       CYS   5  -2.970   8.481   7.823
   31   1HB   CYS   5          HB2       CYS   5  -1.943   6.999  10.223
   32   2HB   CYS   5          HB1       CYS   5  -3.145   6.429   9.085
   33    H    LEU   6           HN       LEU   6  -4.273  10.275   8.260
   34    HA   LEU   6           HA       LEU   6  -5.603  10.284  10.886
   35   1HB   LEU   6          HB2       LEU   6  -5.784  12.095   8.477
   36   2HB   LEU   6          HB1       LEU   6  -6.983  12.141   9.751
   37    HG   LEU   6           HG       LEU   6  -5.409  13.935  10.060
   38   1HD1  LEU   6          HD11      LEU   6  -4.772  13.556  12.335
   39   2HD1  LEU   6          HD12      LEU   6  -4.872  11.809  12.129
   40   3HD1  LEU   6          HD13      LEU   6  -6.334  12.794  12.051
   41   1HD2  LEU   6          HD21      LEU   6  -3.219  11.875  10.313
   42   2HD2  LEU   6          HD22      LEU   6  -3.066  13.627  10.408
   43   3HD2  LEU   6          HD23      LEU   6  -3.495  12.865   8.879
   44    H    ASP   7           HN       ASP   7  -6.490  10.241   7.449
   45    HA   ASP   7           HA       ASP   7  -8.013   7.833   7.727
   46   1HB   ASP   7          HB2       ASP   7  -9.666   9.475   8.616
   47   2HB   ASP   7          HB1       ASP   7  -9.576  10.367   7.101
   48    H    LEU   8           HN       LEU   8  -6.628   7.160   6.096
   49    HA   LEU   8           HA       LEU   8  -6.198   8.766   3.782
   50   1HB   LEU   8          HB2       LEU   8  -5.208   6.144   4.760
   51   2HB   LEU   8          HB1       LEU   8  -5.053   6.440   3.048
   52    HG   LEU   8           HG       LEU   8  -3.001   6.994   4.161
   53   1HD1  LEU   8          HD11      LEU   8  -2.654   9.188   3.291
   54   2HD1  LEU   8          HD12      LEU   8  -4.376   9.545   3.326
   55   3HD1  LEU   8          HD13      LEU   8  -3.748   8.335   2.207
   56   1HD2  LEU   8          HD21      LEU   8  -3.908   7.491   6.370
   57   2HD2  LEU   8          HD22      LEU   8  -4.596   8.997   5.757
   58   3HD2  LEU   8          HD23      LEU   8  -2.843   8.777   5.796
   59    H    ALA   9           HN       ALA   9  -8.955   7.735   4.237
   60    HA   ALA   9           HA       ALA   9  -9.698   5.677   2.608
   61   1HB   ALA   9          HB1       ALA   9 -11.405   8.121   3.030
   62   2HB   ALA   9          HB2       ALA   9 -11.040   6.976   4.307
   63   3HB   ALA   9          HB3       ALA   9 -11.899   6.434   2.870
   64    H    CYS  10           HN       CYS  10  -8.340   5.920   0.754
   65    HA   CYS  10           HA       CYS  10  -7.710   6.564  -1.271
   66   1HB   CYS  10          HB2       CYS  10 -10.160   5.746  -1.674
   67   2HB   CYS  10          HB1       CYS  10 -10.535   7.448  -1.857
   68    H    THR  11           HN       THR  11  -6.924   8.334   0.444
   69    HA   THR  11           HA       THR  11  -7.849  11.007  -0.219
   70    HB   THR  11           HB       THR  11  -5.262  10.300   1.227
   71    HG1  THR  11           HG1      THR  11  -7.901  10.505   2.331
   72   1HG2  THR  11          HG21      THR  11  -5.429  12.632   0.722
   73   2HG2  THR  11          HG22      THR  11  -5.817  12.427   2.427
   74   3HG2  THR  11          HG23      THR  11  -7.110  12.693   1.259
   75    H    GLY  12           HN       GLY  12  -5.999   8.706  -1.729
   76   1HA   GLY  12          HA2       GLY  12  -5.402   9.740  -4.007
   77   2HA   GLY  12          HA1       GLY  12  -4.191  10.582  -3.047
   78    H    SER  13           HN       SER  13  -4.341   8.194  -5.113
   79    HA   SER  13           HA       SER  13  -3.168   5.996  -3.761
   80   1HB   SER  13          HB2       SER  13  -2.358   5.379  -6.101
   81   2HB   SER  13          HB1       SER  13  -4.095   5.590  -5.913
   82    HG   SER  13           HG       SER  13  -2.243   7.222  -7.234
   83    H    LYS  14           HN       LYS  14  -1.771   8.679  -5.640
   84    HA   LYS  14           HA       LYS  14   0.937   8.069  -5.178
   85   1HB   LYS  14          HB2       LYS  14   1.396  10.415  -5.744
   86   2HB   LYS  14          HB1       LYS  14   0.297   9.657  -6.887
   87   1HG   LYS  14          HG2       LYS  14  -1.562  10.824  -6.077
   88   2HG   LYS  14          HG1       LYS  14  -0.732  11.334  -4.611
   89   1HD   LYS  14          HD2       LYS  14   0.754  12.750  -5.909
   90   2HD   LYS  14          HD1       LYS  14  -0.029  12.224  -7.402
   91   1HE   LYS  14          HE2       LYS  14  -2.072  13.270  -6.795
   92   2HE   LYS  14          HE1       LYS  14  -1.511  13.578  -5.152
   93   1HZ   LYS  14          HZ1       LYS  14  -0.411  14.819  -7.618
   94   2HZ   LYS  14          HZ2       LYS  14   0.135  15.109  -6.041
   95   3HZ   LYS  14          HZ3       LYS  14  -1.428  15.569  -6.492
   96    H    ASP  15           HN       ASP  15  -1.467   9.673  -3.208
   97    HA   ASP  15           HA       ASP  15   0.333  10.901  -1.402
   98   1HB   ASP  15          HB2       ASP  15  -2.167  11.407  -1.709
   99   2HB   ASP  15          HB1       ASP  15  -2.478  10.009  -0.683
  100    H    CYS  16           HN       CYS  16  -1.454   7.834  -1.336
  101    HA   CYS  16           HA       CYS  16  -0.399   7.148   1.250
  102   1HB   CYS  16          HB2       CYS  16  -2.673   6.514   0.444
  103   2HB   CYS  16          HB1       CYS  16  -1.919   5.392  -0.685
  104    H    TYR  17           HN       TYR  17   0.664   6.644  -2.016
  105    HA   TYR  17           HA       TYR  17   1.990   4.216  -1.809
  106   1HB   TYR  17          HB2       TYR  17   2.627   6.710  -3.379
  107   2HB   TYR  17          HB1       TYR  17   3.635   5.272  -3.510
  108    HD1  TYR  17           HD1      TYR  17   2.313   6.435  -5.870
  109    HD2  TYR  17           HD2      TYR  17   0.867   3.546  -3.083
  110    HE1  TYR  17           HE1      TYR  17   0.807   5.515  -7.580
  111    HE2  TYR  17           HE2      TYR  17  -0.617   2.666  -4.777
  112    HH   TYR  17           HH       TYR  17  -0.388   2.820  -7.725
  113    H    ALA  18           HN       ALA  18   3.127   7.387  -0.742
  114    HA   ALA  18           HA       ALA  18   5.745   6.498  -0.107
  115   1HB   ALA  18          HB1       ALA  18   5.430   8.668   1.507
  116   2HB   ALA  18          HB2       ALA  18   4.189   8.958   0.289
  117   3HB   ALA  18          HB3       ALA  18   5.860   8.717  -0.199
  118    HA   PRO  19           HA       PRO  19   4.165   6.138   4.533
  119   1HB   PRO  19          HB2       PRO  19   1.257   5.697   4.006
  120   2HB   PRO  19          HB1       PRO  19   2.058   6.545   5.334
  121   1HG   PRO  19          HG2       PRO  19   0.831   7.883   3.390
  122   2HG   PRO  19          HG1       PRO  19   2.343   8.479   4.102
  123   1HD   PRO  19          HD2       PRO  19   1.899   7.144   1.495
  124   2HD   PRO  19          HD1       PRO  19   2.988   8.437   1.917
  125    H    CYS  20           HN       CYS  20   2.333   4.465   1.977
  126    HA   CYS  20           HA       CYS  20   2.187   1.953   3.249
  127   1HB   CYS  20          HB2       CYS  20   0.759   2.431   1.380
  128   2HB   CYS  20          HB1       CYS  20   2.137   2.733   0.331
  129    H    ARG  21           HN       ARG  21   4.570   3.321   1.000
  130    HA   ARG  21           HA       ARG  21   6.159   0.979   0.818
  131   1HB   ARG  21          HB2       ARG  21   6.209   2.824  -0.811
  132   2HB   ARG  21          HB1       ARG  21   6.922   3.865   0.386
  133   1HG   ARG  21          HG2       ARG  21   8.360   1.336  -0.126
  134   2HG   ARG  21          HG1       ARG  21   8.310   2.463  -1.471
  135   1HD   ARG  21          HD2       ARG  21   9.285   3.077   1.316
  136   2HD   ARG  21          HD1       ARG  21  10.285   2.782  -0.105
  137    HE   ARG  21           HE       ARG  21   8.427   4.915  -0.536
  138   1HH1  ARG  21          HH11      ARG  21  11.559   4.133   0.844
  139   2HH1  ARG  21          HH12      ARG  21  12.102   5.766   0.783
  140   1HH2  ARG  21          HH21      ARG  21   9.147   7.040  -0.608
  141   2HH2  ARG  21          HH22      ARG  21  10.737   7.429  -0.039
  142    H    LYS  22           HN       LYS  22   6.240   3.803   2.976
  143    HA   LYS  22           HA       LYS  22   8.635   3.091   4.344
  144   1HB   LYS  22          HB2       LYS  22   7.580   5.340   4.445
  145   2HB   LYS  22          HB1       LYS  22   6.250   4.657   5.373
  146   1HG   LYS  22          HG2       LYS  22   7.932   3.994   7.122
  147   2HG   LYS  22          HG1       LYS  22   9.144   4.880   6.192
  148   1HD   LYS  22          HD2       LYS  22   7.685   6.914   6.405
  149   2HD   LYS  22          HD1       LYS  22   6.650   5.981   7.490
  150   1HE   LYS  22          HE2       LYS  22   9.573   6.609   7.915
  151   2HE   LYS  22          HE1       LYS  22   8.217   7.378   8.735
  152   1HZ   LYS  22          HZ1       LYS  22   9.132   5.728  10.160
  153   2HZ   LYS  22          HZ2       LYS  22   9.061   4.543   8.961
  154   3HZ   LYS  22          HZ3       LYS  22   7.631   5.153   9.632
  155    H    GLN  23           HN       GLN  23   5.273   2.193   4.646
  156    HA   GLN  23           HA       GLN  23   5.460   0.958   7.201
  157   1HB   GLN  23          HB2       GLN  23   3.369   1.830   6.410
  158   2HB   GLN  23          HB1       GLN  23   3.419   0.816   4.984
  159   1HG   GLN  23          HG2       GLN  23   1.834  -0.041   6.554
  160   2HG   GLN  23          HG1       GLN  23   3.165  -1.176   6.389
  161   1HE2  GLN  23          HE21      GLN  23   2.715  -2.125   8.374
  162   2HE2  GLN  23          HE22      GLN  23   3.003  -1.315   9.863
  163    H    THR  24           HN       THR  24   4.810  -0.556   4.018
  164    HA   THR  24           HA       THR  24   5.814  -3.078   5.162
  165    HB   THR  24           HB       THR  24   3.445  -3.042   4.464
  166    HG1  THR  24           HG1      THR  24   3.555  -5.006   3.515
  167   1HG2  THR  24          HG21      THR  24   4.449  -1.663   2.171
  168   2HG2  THR  24          HG22      THR  24   2.789  -2.046   2.606
  169   3HG2  THR  24          HG23      THR  24   3.724  -3.181   1.646
  170    H    GLY  25           HN       GLY  25   7.017  -0.702   3.203
  171   1HA   GLY  25          HA2       GLY  25   9.042  -0.842   2.053
  172   2HA   GLY  25          HA1       GLY  25   8.874  -2.583   1.943
  173    H    CYS  26           HN       CYS  26   6.150  -2.484   0.945
  174    HA   CYS  26           HA       CYS  26   6.758  -2.134  -1.824
  175   1HB   CYS  26          HB2       CYS  26   5.518  -4.061  -1.076
  176   2HB   CYS  26          HB1       CYS  26   4.271  -3.068  -0.408
  177    HA   PRO  27           HA       PRO  27   4.713   1.909  -1.815
  178   1HB   PRO  27          HB2       PRO  27   5.570   2.742  -4.204
  179   2HB   PRO  27          HB1       PRO  27   6.695   2.560  -2.861
  180   1HG   PRO  27          HG2       PRO  27   6.224   0.740  -5.176
  181   2HG   PRO  27          HG1       PRO  27   7.751   1.209  -4.409
  182   1HD   PRO  27          HD2       PRO  27   6.365  -1.153  -3.920
  183   2HD   PRO  27          HD1       PRO  27   7.597  -0.443  -2.857
  184    H    ASN  28           HN       ASN  28   3.656  -0.804  -3.113
  185    HA   ASN  28           HA       ASN  28   1.880   0.362  -5.096
  186   1HB   ASN  28          HB2       ASN  28   2.406  -2.557  -4.533
  187   2HB   ASN  28          HB1       ASN  28   1.471  -1.877  -5.824
  188   1HD2  ASN  28          HD21      ASN  28   2.457  -0.861  -7.552
  189   2HD2  ASN  28          HD22      ASN  28   4.142  -1.070  -7.870
  190    H    ALA  29           HN       ALA  29   0.166   1.178  -4.064
  191    HA   ALA  29           HA       ALA  29  -1.444  -0.599  -2.370
  192   1HB   ALA  29          HB1       ALA  29  -1.473   0.798  -0.626
  193   2HB   ALA  29          HB2       ALA  29  -1.597   2.238  -1.637
  194   3HB   ALA  29          HB3       ALA  29  -0.030   1.508  -1.338
  195    H    LYS  30           HN       LYS  30  -3.704  -0.006  -2.255
  196    HA   LYS  30           HA       LYS  30  -4.658   1.887  -4.266
  197   1HB   LYS  30          HB2       LYS  30  -5.437  -1.033  -4.184
  198   2HB   LYS  30          HB1       LYS  30  -6.431   0.182  -4.978
  199   1HG   LYS  30          HG2       LYS  30  -3.581  -0.473  -5.677
  200   2HG   LYS  30          HG1       LYS  30  -5.002  -1.053  -6.543
  201   1HD   LYS  30          HD2       LYS  30  -5.590   1.163  -7.222
  202   2HD   LYS  30          HD1       LYS  30  -4.352   1.882  -6.201
  203   1HE   LYS  30          HE2       LYS  30  -3.853   0.108  -8.581
  204   2HE   LYS  30          HE1       LYS  30  -3.668   1.860  -8.530
  205   1HZ   LYS  30          HZ1       LYS  30  -1.538   0.950  -8.239
  206   2HZ   LYS  30          HZ2       LYS  30  -2.061  -0.170  -7.095
  207   3HZ   LYS  30          HZ3       LYS  30  -2.002   1.474  -6.700
  208    H    CYS  31           HN       CYS  31  -6.823   2.552  -3.953
  209    HA   CYS  31           HA       CYS  31  -7.443   2.549  -1.080
  210   1HB   CYS  31          HB2       CYS  31  -8.625   4.583  -1.553
  211   2HB   CYS  31          HB1       CYS  31  -6.976   4.693  -2.113
  212    H    ILE  32           HN       ILE  32  -8.791   0.861  -0.646
  213    HA   ILE  32           HA       ILE  32 -11.418   0.924  -1.986
  214    HB   ILE  32           HB       ILE  32 -11.412  -1.654  -1.701
  215   1HG1  ILE  32          HG12      ILE  32  -9.016  -2.529  -2.225
  216   2HG1  ILE  32          HG11      ILE  32  -8.448  -1.044  -1.494
  217   1HG2  ILE  32          HG21      ILE  32 -10.517  -1.966  -3.935
  218   2HG2  ILE  32          HG22      ILE  32  -9.762  -0.372  -3.866
  219   3HG2  ILE  32          HG23      ILE  32 -11.519  -0.518  -3.837
  220   1HD1  ILE  32          HD11      ILE  32  -8.744  -3.280  -0.149
  221   2HD1  ILE  32          HD12      ILE  32 -10.396  -2.694   0.034
  222   3HD1  ILE  32          HD13      ILE  32  -9.040  -1.713   0.595
  223    H    ASN  33           HN       ASN  33 -13.173   0.520  -0.716
  224    HA   ASN  33           HA       ASN  33 -14.407   0.529   1.187
  225   1HB   ASN  33          HB2       ASN  33 -12.286  -1.479   1.987
  226   2HB   ASN  33          HB1       ASN  33 -13.788  -1.228   2.871
  227   1HD2  ASN  33          HD21      ASN  33 -12.708  -3.591   1.424
  228   2HD2  ASN  33          HD22      ASN  33 -13.960  -4.025   0.316
  229    H    LYS  34           HN       LYS  34 -12.748   2.697   1.052
  230    HA   LYS  34           HA       LYS  34 -11.776   4.361   2.206
  231   1HB   LYS  34          HB2       LYS  34 -13.266   3.060   4.486
  232   2HB   LYS  34          HB1       LYS  34 -12.412   4.570   4.639
  233   1HG   LYS  34          HG2       LYS  34 -13.872   5.463   2.780
  234   2HG   LYS  34          HG1       LYS  34 -14.792   3.966   2.919
  235   1HD   LYS  34          HD2       LYS  34 -16.000   5.423   4.250
  236   2HD   LYS  34          HD1       LYS  34 -15.009   4.573   5.431
  237   1HE   LYS  34          HE2       LYS  34 -14.325   7.268   4.237
  238   2HE   LYS  34          HE1       LYS  34 -15.153   7.039   5.773
  239   1HZ   LYS  34          HZ1       LYS  34 -13.175   5.754   6.521
  240   2HZ   LYS  34          HZ2       LYS  34 -12.880   7.385   6.218
  241   3HZ   LYS  34          HZ3       LYS  34 -12.397   6.235   5.124
  242    H    SER  35           HN       SER  35 -10.358   1.734   1.982
  243    HA   SER  35           HA       SER  35  -8.398   2.191   4.120
  244   1HB   SER  35          HB2       SER  35  -9.185  -0.515   3.016
  245   2HB   SER  35          HB1       SER  35  -8.070  -0.174   4.343
  246    HG   SER  35           HG       SER  35 -10.268  -0.796   4.952
  247    H    CYS  36           HN       CYS  36  -6.430   2.565   3.375
  248    HA   CYS  36           HA       CYS  36  -5.789   2.132   0.565
  249   1HB   CYS  36          HB2       CYS  36  -4.959   4.154   1.614
  250   2HB   CYS  36          HB1       CYS  36  -4.147   3.215   2.863
  251    H    LYS  37           HN       LYS  37  -5.760  -0.072   0.276
  252    HA   LYS  37           HA       LYS  37  -4.248  -1.712   2.154
  253   1HB   LYS  37          HB2       LYS  37  -6.471  -2.426   1.272
  254   2HB   LYS  37          HB1       LYS  37  -5.741  -2.589  -0.321
  255   1HG   LYS  37          HG2       LYS  37  -4.122  -4.229   0.686
  256   2HG   LYS  37          HG1       LYS  37  -5.040  -4.111   2.185
  257   1HD   LYS  37          HD2       LYS  37  -5.754  -6.061   1.011
  258   2HD   LYS  37          HD1       LYS  37  -7.058  -4.876   0.946
  259   1HE   LYS  37          HE2       LYS  37  -6.529  -4.317  -1.313
  260   2HE   LYS  37          HE1       LYS  37  -5.036  -5.257  -1.264
  261   1HZ   LYS  37          HZ1       LYS  37  -6.779  -6.431  -2.425
  262   2HZ   LYS  37          HZ2       LYS  37  -7.788  -6.360  -1.071
  263   3HZ   LYS  37          HZ3       LYS  37  -6.357  -7.265  -1.016
  264    H    CYS  38           HN       CYS  38  -2.225  -2.275   1.848
  265    HA   CYS  38           HA       CYS  38  -0.861  -1.699  -0.664
  266   1HB   CYS  38          HB2       CYS  38   0.136  -2.849   1.952
  267   2HB   CYS  38          HB1       CYS  38   1.151  -2.387   0.590
  268    H    TYR  39           HN       TYR  39   0.378  -3.367  -1.775
  269    HA   TYR  39           HA       TYR  39  -1.194  -5.766  -2.066
  270   1HB   TYR  39          HB2       TYR  39   1.386  -4.983  -3.381
  271   2HB   TYR  39          HB1       TYR  39   0.411  -6.349  -3.859
  272    HD1  TYR  39           HD1      TYR  39  -1.919  -3.898  -3.068
  273    HD2  TYR  39           HD2      TYR  39   1.057  -4.787  -5.994
  274    HE1  TYR  39           HE1      TYR  39  -3.049  -2.434  -4.655
  275    HE2  TYR  39           HE2      TYR  39  -0.083  -3.321  -7.591
  276    HH   TYR  39           HH       TYR  39  -2.870  -2.475  -7.656
  277    H    GLY  40           HN       GLY  40   1.158  -4.964   0.127
  278   1HA   GLY  40          HA2       GLY  40   2.299  -6.167   1.646
  279   2HA   GLY  40          HA1       GLY  40   1.418  -7.585   1.098
  280    H    CYS  41           HN       CYS  41   3.626  -5.492  -0.701
  281    HA   CYS  41           HA       CYS  41   5.071  -7.843  -1.653
  282   1HB   CYS  41          HB2       CYS  41   6.077  -5.182  -2.466
  283   2HB   CYS  41          HB1       CYS  41   5.649  -6.587  -3.394
  Start of MODEL   14
    1   1H    TRP   1           HT1      TRP   1   2.596   1.127  14.148
    2   2H    TRP   1           HT2      TRP   1   4.224   1.218  13.605
    3   3H    TRP   1           HT3      TRP   1   3.227  -0.076  13.099
    4    HA   TRP   1           HA       TRP   1   3.486   1.482  11.359
    5   1HB   TRP   1          HB2       TRP   1   0.749   1.495  12.660
    6   2HB   TRP   1          HB1       TRP   1   1.049   2.058  11.019
    7    HD1  TRP   1           HD1      TRP   1   2.000   0.134   9.273
    8    HE1  TRP   1           HE1      TRP   1   1.407  -2.362   9.133
    9    HE3  TRP   1           HE3      TRP   1   0.098  -0.495  13.964
   10    HZ2  TRP   1           HZ2      TRP   1   0.275  -4.339  10.795
   11    HZ3  TRP   1           HZ3      TRP   1  -0.722  -2.722  14.612
   12    HH2  TRP   1           HH2      TRP   1  -0.635  -4.603  13.062
   13    H    CYS   2           HN       CYS   2   3.167   3.591  10.563
   14    HA   CYS   2           HA       CYS   2   3.620   5.673  12.545
   15   1HB   CYS   2          HB2       CYS   2   4.390   7.030  10.748
   16   2HB   CYS   2          HB1       CYS   2   5.075   5.431  10.513
   17    H    SER   3           HN       SER   3   2.456   7.674  12.498
   18    HA   SER   3           HA       SER   3  -0.361   7.275  12.376
   19   1HB   SER   3          HB2       SER   3   1.159   9.878  12.699
   20   2HB   SER   3          HB1       SER   3  -0.508   9.550  13.180
   21    HG   SER   3           HG       SER   3   1.041   9.410  14.915
   22    H    THR   4           HN       THR   4   1.989   8.465  10.123
   23    HA   THR   4           HA       THR   4   0.082   9.871   8.475
   24    HB   THR   4           HB       THR   4   2.893   8.985   7.725
   25    HG1  THR   4           HG1      THR   4   2.050  11.383   9.059
   26   1HG2  THR   4          HG21      THR   4   2.786  11.003   6.292
   27   2HG2  THR   4          HG22      THR   4   1.092  11.204   6.736
   28   3HG2  THR   4          HG23      THR   4   1.608   9.776   5.837
   29    H    CYS   5           HN       CYS   5   1.027   6.623   8.911
   30    HA   CYS   5           HA       CYS   5  -0.076   5.864   6.308
   31   1HB   CYS   5          HB2       CYS   5   1.081   3.655   6.761
   32   2HB   CYS   5          HB1       CYS   5   2.097   5.004   6.382
   33    H    LEU   6           HN       LEU   6  -1.573   6.618   8.716
   34    HA   LEU   6           HA       LEU   6  -2.864   4.057   9.367
   35   1HB   LEU   6          HB2       LEU   6  -2.087   5.412  11.262
   36   2HB   LEU   6          HB1       LEU   6  -3.075   6.749  10.720
   37    HG   LEU   6           HG       LEU   6  -5.106   5.346  11.079
   38   1HD1  LEU   6          HD11      LEU   6  -4.128   3.146  10.819
   39   2HD1  LEU   6          HD12      LEU   6  -4.883   3.287  12.401
   40   3HD1  LEU   6          HD13      LEU   6  -3.128   3.393  12.250
   41   1HD2  LEU   6          HD21      LEU   6  -4.337   6.910  12.788
   42   2HD2  LEU   6          HD22      LEU   6  -3.321   5.649  13.490
   43   3HD2  LEU   6          HD23      LEU   6  -5.077   5.480  13.505
   44    H    ASP   7           HN       ASP   7  -3.976   7.445   9.049
   45    HA   ASP   7           HA       ASP   7  -6.428   6.451   7.783
   46   1HB   ASP   7          HB2       ASP   7  -5.664   9.059   9.081
   47   2HB   ASP   7          HB1       ASP   7  -7.108   8.925   8.082
   48    H    LEU   8           HN       LEU   8  -5.888   6.045   5.680
   49    HA   LEU   8           HA       LEU   8  -5.247   8.441   4.059
   50   1HB   LEU   8          HB2       LEU   8  -4.321   5.596   3.594
   51   2HB   LEU   8          HB1       LEU   8  -4.228   6.852   2.382
   52    HG   LEU   8           HG       LEU   8  -2.073   6.681   3.237
   53   1HD1  LEU   8          HD11      LEU   8  -1.618   8.826   4.164
   54   2HD1  LEU   8          HD12      LEU   8  -3.269   8.998   4.741
   55   3HD1  LEU   8          HD13      LEU   8  -2.938   8.996   3.012
   56   1HD2  LEU   8          HD21      LEU   8  -2.940   7.055   6.080
   57   2HD2  LEU   8          HD22      LEU   8  -1.451   6.440   5.415
   58   3HD2  LEU   8          HD23      LEU   8  -2.889   5.449   5.350
   59    H    ALA   9           HN       ALA   9  -7.802   7.436   4.907
   60    HA   ALA   9           HA       ALA   9  -9.092   5.695   3.249
   61   1HB   ALA   9          HB1       ALA   9 -10.302   8.156   4.505
   62   2HB   ALA   9          HB2       ALA   9 -10.036   6.610   5.308
   63   3HB   ALA   9          HB3       ALA   9 -11.175   6.719   3.966
   64    H    CYS  10           HN       CYS  10  -8.247   6.043   1.180
   65    HA   CYS  10           HA       CYS  10  -8.094   6.825  -0.929
   66   1HB   CYS  10          HB2       CYS  10 -10.991   7.390  -0.302
   67   2HB   CYS  10          HB1       CYS  10 -10.308   7.662  -1.908
   68    H    THR  11           HN       THR  11  -6.814   8.348   0.655
   69    HA   THR  11           HA       THR  11  -7.491  11.141   0.227
   70    HB   THR  11           HB       THR  11  -5.069  11.450   1.088
   71    HG1  THR  11           HG1      THR  11  -5.333   8.704   1.801
   72   1HG2  THR  11          HG21      THR  11  -5.679  10.988   3.398
   73   2HG2  THR  11          HG22      THR  11  -7.041  10.007   2.859
   74   3HG2  THR  11          HG23      THR  11  -7.018  11.742   2.532
   75    H    GLY  12           HN       GLY  12  -5.533   8.605  -1.174
   76   1HA   GLY  12          HA2       GLY  12  -5.517   9.323  -3.730
   77   2HA   GLY  12          HA1       GLY  12  -4.269  10.390  -3.095
   78    H    SER  13           HN       SER  13  -4.508   7.719  -4.776
   79    HA   SER  13           HA       SER  13  -2.990   5.747  -3.506
   80   1HB   SER  13          HB2       SER  13  -4.144   5.414  -5.653
   81   2HB   SER  13          HB1       SER  13  -3.029   6.529  -6.438
   82    HG   SER  13           HG       SER  13  -2.544   4.230  -6.671
   83    H    LYS  14           HN       LYS  14  -2.001   8.616  -5.301
   84    HA   LYS  14           HA       LYS  14   0.767   8.241  -5.226
   85   1HB   LYS  14          HB2       LYS  14   0.912  10.675  -5.597
   86   2HB   LYS  14          HB1       LYS  14  -0.135   9.836  -6.728
   87   1HG   LYS  14          HG2       LYS  14  -2.108  10.559  -5.497
   88   2HG   LYS  14          HG1       LYS  14  -1.088  11.368  -4.309
   89   1HD   LYS  14          HD2       LYS  14  -1.204  12.026  -7.258
   90   2HD   LYS  14          HD1       LYS  14  -2.047  12.908  -5.984
   91   1HE   LYS  14          HE2       LYS  14   0.085  13.483  -4.951
   92   2HE   LYS  14          HE1       LYS  14   0.949  12.585  -6.196
   93   1HZ   LYS  14          HZ1       LYS  14  -0.747  14.968  -6.662
   94   2HZ   LYS  14          HZ2       LYS  14   0.078  14.093  -7.856
   95   3HZ   LYS  14          HZ3       LYS  14   0.944  14.926  -6.667
   96    H    ASP  15           HN       ASP  15  -1.441   9.287  -2.795
   97    HA   ASP  15           HA       ASP  15   0.685  10.250  -1.056
   98   1HB   ASP  15          HB2       ASP  15  -2.310  10.306  -0.969
   99   2HB   ASP  15          HB1       ASP  15  -1.420  10.428   0.546
  100    H    CYS  16           HN       CYS  16  -1.023   7.365  -1.717
  101    HA   CYS  16           HA       CYS  16  -0.604   6.187   0.886
  102   1HB   CYS  16          HB2       CYS  16  -1.480   4.980  -1.742
  103   2HB   CYS  16          HB1       CYS  16  -1.409   4.110  -0.212
  104    H    TYR  17           HN       TYR  17   1.045   6.319  -2.206
  105    HA   TYR  17           HA       TYR  17   2.655   4.143  -2.213
  106   1HB   TYR  17          HB2       TYR  17   3.426   6.976  -2.920
  107   2HB   TYR  17          HB1       TYR  17   4.385   5.569  -3.365
  108    HD1  TYR  17           HD1      TYR  17   1.703   3.885  -3.928
  109    HD2  TYR  17           HD2      TYR  17   3.254   7.621  -5.272
  110    HE1  TYR  17           HE1      TYR  17   0.439   3.651  -5.992
  111    HE2  TYR  17           HE2      TYR  17   1.970   7.392  -7.349
  112    HH   TYR  17           HH       TYR  17  -0.488   5.717  -7.818
  113    H    ALA  18           HN       ALA  18   3.750   7.204  -0.757
  114    HA   ALA  18           HA       ALA  18   6.120   6.163   0.280
  115   1HB   ALA  18          HB1       ALA  18   5.729   8.242   1.951
  116   2HB   ALA  18          HB2       ALA  18   4.576   8.645   0.679
  117   3HB   ALA  18          HB3       ALA  18   6.270   8.394   0.283
  118    HA   PRO  19           HA       PRO  19   3.788   5.638   4.630
  119   1HB   PRO  19          HB2       PRO  19   1.083   5.110   3.443
  120   2HB   PRO  19          HB1       PRO  19   1.527   5.863   4.955
  121   1HG   PRO  19          HG2       PRO  19   0.710   7.353   2.980
  122   2HG   PRO  19          HG1       PRO  19   2.054   7.883   4.010
  123   1HD   PRO  19          HD2       PRO  19   2.136   6.751   1.260
  124   2HD   PRO  19          HD1       PRO  19   3.094   8.025   1.982
  125    H    CYS  20           HN       CYS  20   2.726   3.934   1.675
  126    HA   CYS  20           HA       CYS  20   2.555   1.384   2.964
  127   1HB   CYS  20          HB2       CYS  20   2.663   2.213   0.064
  128   2HB   CYS  20          HB1       CYS  20   2.604   0.517   0.549
  129    H    ARG  21           HN       ARG  21   5.119   3.131   1.290
  130    HA   ARG  21           HA       ARG  21   7.011   1.001   1.267
  131   1HB   ARG  21          HB2       ARG  21   7.370   3.107   0.011
  132   2HB   ARG  21          HB1       ARG  21   7.519   3.981   1.528
  133   1HG   ARG  21          HG2       ARG  21   9.401   2.030   1.884
  134   2HG   ARG  21          HG1       ARG  21   9.430   2.229   0.137
  135   1HD   ARG  21          HD2       ARG  21   9.641   4.522   2.063
  136   2HD   ARG  21          HD1       ARG  21  11.037   3.640   1.453
  137    HE   ARG  21           HE       ARG  21   9.744   4.382  -0.816
  138   1HH1  ARG  21          HH11      ARG  21  10.797   6.173   2.026
  139   2HH1  ARG  21          HH12      ARG  21  11.182   7.585   1.120
  140   1HH2  ARG  21          HH21      ARG  21  10.285   6.262  -1.983
  141   2HH2  ARG  21          HH22      ARG  21  10.899   7.648  -1.142
  142    H    LYS  22           HN       LYS  22   6.095   3.486   3.602
  143    HA   LYS  22           HA       LYS  22   7.981   2.885   5.564
  144   1HB   LYS  22          HB2       LYS  22   5.567   4.487   5.337
  145   2HB   LYS  22          HB1       LYS  22   5.627   3.722   6.909
  146   1HG   LYS  22          HG2       LYS  22   7.959   5.281   5.812
  147   2HG   LYS  22          HG1       LYS  22   6.614   6.048   6.651
  148   1HD   LYS  22          HD2       LYS  22   8.290   5.672   8.280
  149   2HD   LYS  22          HD1       LYS  22   7.030   4.478   8.580
  150   1HE   LYS  22          HE2       LYS  22   8.416   2.837   7.310
  151   2HE   LYS  22          HE1       LYS  22   9.678   4.038   7.203
  152   1HZ   LYS  22          HZ1       LYS  22   8.534   2.866   9.679
  153   2HZ   LYS  22          HZ2       LYS  22   9.768   4.024   9.619
  154   3HZ   LYS  22          HZ3       LYS  22  10.030   2.476   8.992
  155    H    GLN  23           HN       GLN  23   4.703   1.650   5.045
  156    HA   GLN  23           HA       GLN  23   4.594   0.032   7.355
  157   1HB   GLN  23          HB2       GLN  23   3.144  -0.149   4.717
  158   2HB   GLN  23          HB1       GLN  23   2.792  -1.208   6.078
  159   1HG   GLN  23          HG2       GLN  23   2.250   0.802   7.420
  160   2HG   GLN  23          HG1       GLN  23   2.465   1.777   5.983
  161   1HE2  GLN  23          HE21      GLN  23   0.293   2.443   6.001
  162   2HE2  GLN  23          HE22      GLN  23  -0.979   1.385   5.575
  163    H    THR  24           HN       THR  24   5.110  -0.989   3.962
  164    HA   THR  24           HA       THR  24   6.177  -3.525   5.047
  165    HB   THR  24           HB       THR  24   5.259  -4.506   2.965
  166    HG1  THR  24           HG1      THR  24   4.069  -3.285   1.574
  167   1HG2  THR  24          HG21      THR  24   3.266  -3.069   4.655
  168   2HG2  THR  24          HG22      THR  24   3.998  -4.635   5.009
  169   3HG2  THR  24          HG23      THR  24   2.935  -4.454   3.615
  170    H    GLY  25           HN       GLY  25   7.080  -0.856   3.077
  171   1HA   GLY  25          HA2       GLY  25   9.355  -0.650   2.370
  172   2HA   GLY  25          HA1       GLY  25   9.430  -2.384   2.119
  173    H    CYS  26           HN       CYS  26   6.727  -2.371   0.848
  174    HA   CYS  26           HA       CYS  26   7.623  -1.572  -1.794
  175   1HB   CYS  26          HB2       CYS  26   5.357  -3.314  -0.899
  176   2HB   CYS  26          HB1       CYS  26   5.641  -2.891  -2.566
  177    HA   PRO  27           HA       PRO  27   5.062   2.011  -1.312
  178   1HB   PRO  27          HB2       PRO  27   5.899   3.361  -3.445
  179   2HB   PRO  27          HB1       PRO  27   7.014   2.934  -2.146
  180   1HG   PRO  27          HG2       PRO  27   6.640   1.622  -4.804
  181   2HG   PRO  27          HG1       PRO  27   8.142   2.007  -3.945
  182   1HD   PRO  27          HD2       PRO  27   6.885  -0.477  -3.954
  183   2HD   PRO  27          HD1       PRO  27   8.083   0.079  -2.767
  184    H    ASN  28           HN       ASN  28   3.981  -0.434  -3.103
  185    HA   ASN  28           HA       ASN  28   2.257   1.160  -4.871
  186   1HB   ASN  28          HB2       ASN  28   2.889  -1.774  -4.688
  187   2HB   ASN  28          HB1       ASN  28   1.467  -1.215  -5.564
  188   1HD2  ASN  28          HD21      ASN  28   1.736   0.037  -7.429
  189   2HD2  ASN  28          HD22      ASN  28   3.240   0.053  -8.278
  190    H    ALA  29           HN       ALA  29   0.069   1.308  -4.642
  191    HA   ALA  29           HA       ALA  29  -1.347  -0.212  -2.620
  192   1HB   ALA  29          HB1       ALA  29  -1.539   1.310  -0.993
  193   2HB   ALA  29          HB2       ALA  29  -1.566   2.687  -2.093
  194   3HB   ALA  29          HB3       ALA  29  -0.038   1.937  -1.667
  195    H    LYS  30           HN       LYS  30  -3.523  -0.169  -2.859
  196    HA   LYS  30           HA       LYS  30  -4.720   1.783  -4.730
  197   1HB   LYS  30          HB2       LYS  30  -5.464  -1.145  -4.515
  198   2HB   LYS  30          HB1       LYS  30  -6.298   0.063  -5.490
  199   1HG   LYS  30          HG2       LYS  30  -4.067   0.374  -6.702
  200   2HG   LYS  30          HG1       LYS  30  -3.564  -1.100  -5.882
  201   1HD   LYS  30          HD2       LYS  30  -5.911  -0.792  -7.752
  202   2HD   LYS  30          HD1       LYS  30  -4.392  -1.614  -8.108
  203   1HE   LYS  30          HE2       LYS  30  -4.874  -3.265  -6.371
  204   2HE   LYS  30          HE1       LYS  30  -6.388  -2.445  -5.994
  205   1HZ   LYS  30          HZ1       LYS  30  -6.758  -4.336  -7.414
  206   2HZ   LYS  30          HZ2       LYS  30  -5.720  -3.708  -8.592
  207   3HZ   LYS  30          HZ3       LYS  30  -7.168  -2.910  -8.225
  208    H    CYS  31           HN       CYS  31  -6.833   2.453  -4.112
  209    HA   CYS  31           HA       CYS  31  -7.191   2.090  -1.241
  210   1HB   CYS  31          HB2       CYS  31  -6.923   4.368  -2.125
  211   2HB   CYS  31          HB1       CYS  31  -8.424   4.177  -3.029
  212    H    ILE  32           HN       ILE  32  -8.846   1.161  -0.315
  213    HA   ILE  32           HA       ILE  32 -11.186   0.360  -1.932
  214    HB   ILE  32           HB       ILE  32 -10.017  -0.708   0.651
  215   1HG1  ILE  32          HG12      ILE  32 -10.295  -2.900  -0.575
  216   2HG1  ILE  32          HG11      ILE  32 -10.770  -1.974  -1.996
  217   1HG2  ILE  32          HG21      ILE  32 -12.796  -1.186  -0.401
  218   2HG2  ILE  32          HG22      ILE  32 -12.332  -0.511   1.156
  219   3HG2  ILE  32          HG23      ILE  32 -12.010  -2.198   0.810
  220   1HD1  ILE  32          HD11      ILE  32  -8.154  -1.497  -0.626
  221   2HD1  ILE  32          HD12      ILE  32  -8.635  -1.108  -2.274
  222   3HD1  ILE  32          HD13      ILE  32  -8.366  -2.786  -1.807
  223    H    ASN  33           HN       ASN  33 -13.245   0.843  -1.074
  224    HA   ASN  33           HA       ASN  33 -13.553   3.485  -0.222
  225   1HB   ASN  33          HB2       ASN  33 -15.997   2.879  -0.016
  226   2HB   ASN  33          HB1       ASN  33 -15.237   2.468  -1.547
  227   1HD2  ASN  33          HD21      ASN  33 -16.865   0.933  -1.955
  228   2HD2  ASN  33          HD22      ASN  33 -16.866  -0.595  -1.149
  229    H    LYS  34           HN       LYS  34 -12.023   2.821   1.786
  230    HA   LYS  34           HA       LYS  34 -13.244   3.614   4.084
  231   1HB   LYS  34          HB2       LYS  34 -13.255   1.531   5.471
  232   2HB   LYS  34          HB1       LYS  34 -14.485   1.594   4.230
  233   1HG   LYS  34          HG2       LYS  34 -13.199   0.096   2.827
  234   2HG   LYS  34          HG1       LYS  34 -11.888   0.077   4.004
  235   1HD   LYS  34          HD2       LYS  34 -13.331  -1.927   4.137
  236   2HD   LYS  34          HD1       LYS  34 -13.323  -0.991   5.631
  237   1HE   LYS  34          HE2       LYS  34 -15.563  -1.739   5.078
  238   2HE   LYS  34          HE1       LYS  34 -15.483   0.010   5.015
  239   1HZ   LYS  34          HZ1       LYS  34 -15.379  -0.094   2.623
  240   2HZ   LYS  34          HZ2       LYS  34 -16.709  -0.987   3.155
  241   3HZ   LYS  34          HZ3       LYS  34 -15.308  -1.786   2.649
  242    H    SER  35           HN       SER  35 -10.679   1.812   2.548
  243    HA   SER  35           HA       SER  35  -8.705   3.118   4.209
  244   1HB   SER  35          HB2       SER  35  -9.005   0.096   4.245
  245   2HB   SER  35          HB1       SER  35  -7.652   0.993   4.938
  246    HG   SER  35           HG       SER  35  -9.136   0.539   6.547
  247    H    CYS  36           HN       CYS  36  -6.789   3.331   3.156
  248    HA   CYS  36           HA       CYS  36  -6.628   2.389   0.420
  249   1HB   CYS  36          HB2       CYS  36  -5.806   4.658   1.259
  250   2HB   CYS  36          HB1       CYS  36  -4.437   3.801   1.950
  251    H    LYS  37           HN       LYS  37  -5.770   0.482  -0.107
  252    HA   LYS  37           HA       LYS  37  -4.406  -1.022   2.020
  253   1HB   LYS  37          HB2       LYS  37  -6.638  -1.633   0.763
  254   2HB   LYS  37          HB1       LYS  37  -5.566  -2.279  -0.452
  255   1HG   LYS  37          HG2       LYS  37  -5.415  -3.029   2.472
  256   2HG   LYS  37          HG1       LYS  37  -6.475  -3.855   1.333
  257   1HD   LYS  37          HD2       LYS  37  -3.479  -3.639   1.087
  258   2HD   LYS  37          HD1       LYS  37  -4.351  -5.041   1.679
  259   1HE   LYS  37          HE2       LYS  37  -5.506  -5.227  -0.489
  260   2HE   LYS  37          HE1       LYS  37  -4.565  -3.867  -1.093
  261   1HZ   LYS  37          HZ1       LYS  37  -2.555  -5.132  -0.776
  262   2HZ   LYS  37          HZ2       LYS  37  -3.630  -5.973  -1.769
  263   3HZ   LYS  37          HZ3       LYS  37  -3.434  -6.439  -0.156
  264    H    CYS  38           HN       CYS  38  -2.330  -1.530   1.825
  265    HA   CYS  38           HA       CYS  38  -0.853  -0.714  -0.510
  266   1HB   CYS  38          HB2       CYS  38   0.099  -2.231   1.935
  267   2HB   CYS  38          HB1       CYS  38   1.109  -1.398   0.755
  268    H    TYR  39           HN       TYR  39   0.588  -2.129  -1.686
  269    HA   TYR  39           HA       TYR  39  -0.931  -4.325  -2.677
  270   1HB   TYR  39          HB2       TYR  39   1.089  -2.603  -3.629
  271   2HB   TYR  39          HB1       TYR  39   1.753  -4.210  -3.780
  272    HD1  TYR  39           HD1      TYR  39   1.047  -5.632  -5.527
  273    HD2  TYR  39           HD2      TYR  39  -1.159  -2.089  -4.678
  274    HE1  TYR  39           HE1      TYR  39  -0.251  -5.951  -7.585
  275    HE2  TYR  39           HE2      TYR  39  -2.452  -2.409  -6.742
  276    HH   TYR  39           HH       TYR  39  -1.711  -3.954  -9.175
  277    H    GLY  40           HN       GLY  40   0.706  -4.499   0.046
  278   1HA   GLY  40          HA2       GLY  40   1.394  -6.300   1.235
  279   2HA   GLY  40          HA1       GLY  40   1.202  -7.304  -0.194
  280    H    CYS  41           HN       CYS  41   3.400  -6.815   1.905
  281    HA   CYS  41           HA       CYS  41   5.580  -7.310   0.144
  282   1HB   CYS  41          HB2       CYS  41   5.182  -4.753   0.070
  283   2HB   CYS  41          HB1       CYS  41   5.844  -4.725   1.644
  Start of MODEL   15
    1   1H    TRP   1           HT1      TRP   1   1.053  -0.867  10.044
    2   2H    TRP   1           HT2      TRP   1  -0.155  -0.181  11.054
    3   3H    TRP   1           HT3      TRP   1   0.173  -1.853  11.132
    4    HA   TRP   1           HA       TRP   1   1.068  -0.487  12.954
    5   1HB   TRP   1          HB2       TRP   1   3.238  -1.671  12.974
    6   2HB   TRP   1          HB1       TRP   1   1.915  -2.724  12.494
    7    HD1  TRP   1           HD1      TRP   1   5.036  -1.008  11.062
    8    HE1  TRP   1           HE1      TRP   1   5.681  -2.187   8.870
    9    HE3  TRP   1           HE3      TRP   1   0.983  -4.093  10.572
   10    HZ2  TRP   1           HZ2      TRP   1   4.618  -4.162   7.159
   11    HZ3  TRP   1           HZ3      TRP   1   0.879  -5.596   8.627
   12    HH2  TRP   1           HH2      TRP   1   2.659  -5.627   6.957
   13    H    CYS   2           HN       CYS   2   0.890   1.390  10.662
   14    HA   CYS   2           HA       CYS   2   3.561   2.529  10.479
   15   1HB   CYS   2          HB2       CYS   2   2.157   2.400   8.485
   16   2HB   CYS   2          HB1       CYS   2   0.943   3.388   9.253
   17    H    SER   3           HN       SER   3   4.191   3.689  12.195
   18    HA   SER   3           HA       SER   3   2.366   4.922  14.004
   19   1HB   SER   3          HB2       SER   3   5.359   5.298  13.766
   20   2HB   SER   3          HB1       SER   3   4.357   5.681  15.171
   21    HG   SER   3           HG       SER   3   4.034   3.546  15.534
   22    H    THR   4           HN       THR   4   3.879   6.034  11.097
   23    HA   THR   4           HA       THR   4   3.321   8.840  11.786
   24    HB   THR   4           HB       THR   4   5.549   8.406  10.835
   25    HG1  THR   4           HG1      THR   4   4.784  10.406  10.306
   26   1HG2  THR   4          HG21      THR   4   5.791   7.715   8.506
   27   2HG2  THR   4          HG22      THR   4   4.061   7.423   8.396
   28   3HG2  THR   4          HG23      THR   4   5.055   6.447   9.475
   29    H    CYS   5           HN       CYS   5   1.460   6.461  10.880
   30    HA   CYS   5           HA       CYS   5   0.088   7.969   8.749
   31   1HB   CYS   5          HB2       CYS   5   0.016   5.017   9.348
   32   2HB   CYS   5          HB1       CYS   5  -0.905   5.821   8.095
   33    H    LEU   6           HN       LEU   6  -1.353   9.201   9.827
   34    HA   LEU   6           HA       LEU   6  -2.815   8.155  12.115
   35   1HB   LEU   6          HB2       LEU   6  -1.974  10.560  11.731
   36   2HB   LEU   6          HB1       LEU   6  -3.347  10.763  10.669
   37    HG   LEU   6           HG       LEU   6  -3.579   9.971  13.581
   38   1HD1  LEU   6          HD11      LEU   6  -2.554  12.180  13.363
   39   2HD1  LEU   6          HD12      LEU   6  -4.192  12.294  14.000
   40   3HD1  LEU   6          HD13      LEU   6  -3.874  12.695  12.311
   41   1HD2  LEU   6          HD21      LEU   6  -5.929  10.838  13.238
   42   2HD2  LEU   6          HD22      LEU   6  -5.550   9.332  12.421
   43   3HD2  LEU   6          HD23      LEU   6  -5.593  10.839  11.506
   44    H    ASP   7           HN       ASP   7  -3.760   9.557   8.964
   45    HA   ASP   7           HA       ASP   7  -5.717   7.416   8.611
   46   1HB   ASP   7          HB2       ASP   7  -6.985   9.216   9.748
   47   2HB   ASP   7          HB1       ASP   7  -6.527  10.340   8.472
   48    H    LEU   8           HN       LEU   8  -5.776   6.785   6.537
   49    HA   LEU   8           HA       LEU   8  -4.745   8.648   4.479
   50   1HB   LEU   8          HB2       LEU   8  -4.112   5.707   4.709
   51   2HB   LEU   8          HB1       LEU   8  -3.597   6.767   3.405
   52    HG   LEU   8           HG       LEU   8  -2.755   7.091   6.292
   53   1HD1  LEU   8          HD11      LEU   8  -1.299   5.841   3.963
   54   2HD1  LEU   8          HD12      LEU   8  -1.880   5.012   5.408
   55   3HD1  LEU   8          HD13      LEU   8  -0.594   6.203   5.530
   56   1HD2  LEU   8          HD21      LEU   8  -1.070   8.603   5.363
   57   2HD2  LEU   8          HD22      LEU   8  -2.698   9.165   4.998
   58   3HD2  LEU   8          HD23      LEU   8  -1.743   8.370   3.748
   59    H    ALA   9           HN       ALA   9  -7.418   7.639   5.443
   60    HA   ALA   9           HA       ALA   9  -8.490   5.721   3.793
   61   1HB   ALA   9          HB1       ALA   9  -9.917   8.055   5.057
   62   2HB   ALA   9          HB2       ALA   9  -9.519   6.530   5.847
   63   3HB   ALA   9          HB3       ALA   9 -10.659   6.552   4.503
   64    H    CYS  10           HN       CYS  10  -7.645   6.176   1.722
   65    HA   CYS  10           HA       CYS  10  -7.621   6.942  -0.393
   66   1HB   CYS  10          HB2       CYS  10 -10.502   7.446   0.345
   67   2HB   CYS  10          HB1       CYS  10  -9.887   7.864  -1.252
   68    H    THR  11           HN       THR  11  -6.351   8.469   1.279
   69    HA   THR  11           HA       THR  11  -7.088  11.257   0.950
   70    HB   THR  11           HB       THR  11  -5.856  10.565   2.975
   71    HG1  THR  11           HG1      THR  11  -5.397  12.656   2.422
   72   1HG2  THR  11          HG21      THR  11  -4.560   8.724   2.255
   73   2HG2  THR  11          HG22      THR  11  -3.426   9.974   2.723
   74   3HG2  THR  11          HG23      THR  11  -3.737   9.667   1.025
   75    H    GLY  12           HN       GLY  12  -5.881   8.886  -1.005
   76   1HA   GLY  12          HA2       GLY  12  -5.543   9.790  -3.329
   77   2HA   GLY  12          HA1       GLY  12  -4.196  10.673  -2.615
   78    H    SER  13           HN       SER  13  -4.447   8.341  -4.609
   79    HA   SER  13           HA       SER  13  -3.312   6.078  -3.334
   80   1HB   SER  13          HB2       SER  13  -2.598   5.534  -5.780
   81   2HB   SER  13          HB1       SER  13  -4.315   5.629  -5.390
   82    HG   SER  13           HG       SER  13  -2.714   7.490  -6.768
   83    H    LYS  14           HN       LYS  14  -1.850   8.760  -5.165
   84    HA   LYS  14           HA       LYS  14   0.814   7.878  -4.708
   85   1HB   LYS  14          HB2       LYS  14   1.512  10.028  -5.601
   86   2HB   LYS  14          HB1       LYS  14   0.292   9.276  -6.621
   87   1HG   LYS  14          HG2       LYS  14  -1.422  10.725  -5.676
   88   2HG   LYS  14          HG1       LYS  14  -0.225  11.462  -4.609
   89   1HD   LYS  14          HD2       LYS  14   1.033  12.222  -6.589
   90   2HD   LYS  14          HD1       LYS  14  -0.216  11.527  -7.627
   91   1HE   LYS  14          HE2       LYS  14  -1.864  13.042  -6.704
   92   2HE   LYS  14          HE1       LYS  14  -0.675  13.692  -5.573
   93   1HZ   LYS  14          HZ1       LYS  14  -0.527  13.878  -8.535
   94   2HZ   LYS  14          HZ2       LYS  14   0.617  14.497  -7.449
   95   3HZ   LYS  14          HZ3       LYS  14  -0.950  15.129  -7.479
   96    H    ASP  15           HN       ASP  15  -1.472   9.664  -2.878
   97    HA   ASP  15           HA       ASP  15   0.440  10.894  -1.111
   98   1HB   ASP  15          HB2       ASP  15  -1.971  11.675  -1.565
   99   2HB   ASP  15          HB1       ASP  15  -2.485  10.382  -0.495
  100    H    CYS  16           HN       CYS  16  -1.296   7.886  -1.345
  101    HA   CYS  16           HA       CYS  16  -0.687   7.109   1.388
  102   1HB   CYS  16          HB2       CYS  16  -2.872   6.621   0.213
  103   2HB   CYS  16          HB1       CYS  16  -2.005   5.468  -0.792
  104    H    TYR  17           HN       TYR  17   0.656   6.710  -1.794
  105    HA   TYR  17           HA       TYR  17   2.004   4.300  -1.590
  106   1HB   TYR  17          HB2       TYR  17   2.727   6.884  -2.961
  107   2HB   TYR  17          HB1       TYR  17   3.777   5.476  -3.078
  108    HD1  TYR  17           HD1      TYR  17   1.332   3.479  -3.125
  109    HD2  TYR  17           HD2      TYR  17   2.384   6.945  -5.361
  110    HE1  TYR  17           HE1      TYR  17   0.049   2.636  -5.029
  111    HE2  TYR  17           HE2      TYR  17   1.084   6.104  -7.262
  112    HH   TYR  17           HH       TYR  17   0.356   3.352  -7.914
  113    H    ALA  18           HN       ALA  18   3.342   7.483  -0.736
  114    HA   ALA  18           HA       ALA  18   5.800   6.558   0.143
  115   1HB   ALA  18          HB1       ALA  18   5.509   8.759   1.703
  116   2HB   ALA  18          HB2       ALA  18   4.266   9.044   0.484
  117   3HB   ALA  18          HB3       ALA  18   5.933   8.777  -0.004
  118    HA   PRO  19           HA       PRO  19   4.019   6.340   4.753
  119   1HB   PRO  19          HB2       PRO  19   1.172   5.776   4.002
  120   2HB   PRO  19          HB1       PRO  19   1.846   6.647   5.366
  121   1HG   PRO  19          HG2       PRO  19   0.750   7.976   3.388
  122   2HG   PRO  19          HG1       PRO  19   2.214   8.575   4.194
  123   1HD   PRO  19          HD2       PRO  19   1.940   7.229   1.557
  124   2HD   PRO  19          HD1       PRO  19   2.986   8.544   2.047
  125    H    CYS  20           HN       CYS  20   2.317   4.475   2.217
  126    HA   CYS  20           HA       CYS  20   2.326   2.012   3.598
  127   1HB   CYS  20          HB2       CYS  20   0.884   2.380   1.680
  128   2HB   CYS  20          HB1       CYS  20   2.278   2.592   0.632
  129    H    ARG  21           HN       ARG  21   4.650   3.478   1.346
  130    HA   ARG  21           HA       ARG  21   6.386   1.247   1.186
  131   1HB   ARG  21          HB2       ARG  21   6.369   3.290  -0.329
  132   2HB   ARG  21          HB1       ARG  21   7.216   4.153   0.951
  133   1HG   ARG  21          HG2       ARG  21   8.982   2.329   0.819
  134   2HG   ARG  21          HG1       ARG  21   8.160   1.775  -0.642
  135   1HD   ARG  21          HD2       ARG  21   9.934   3.185  -1.332
  136   2HD   ARG  21          HD1       ARG  21   8.439   4.095  -1.559
  137    HE   ARG  21           HE       ARG  21   9.691   4.575   0.991
  138   1HH1  ARG  21          HH11      ARG  21   9.711   5.524  -2.402
  139   2HH1  ARG  21          HH12      ARG  21  10.396   7.069  -2.068
  140   1HH2  ARG  21          HH21      ARG  21  10.613   6.613   1.386
  141   2HH2  ARG  21          HH22      ARG  21  10.913   7.691   0.064
  142    H    LYS  22           HN       LYS  22   6.175   4.002   3.400
  143    HA   LYS  22           HA       LYS  22   8.554   3.452   4.844
  144   1HB   LYS  22          HB2       LYS  22   7.432   5.615   5.002
  145   2HB   LYS  22          HB1       LYS  22   6.008   4.853   5.689
  146   1HG   LYS  22          HG2       LYS  22   7.235   5.912   7.439
  147   2HG   LYS  22          HG1       LYS  22   7.356   4.171   7.654
  148   1HD   LYS  22          HD2       LYS  22   9.592   4.303   6.466
  149   2HD   LYS  22          HD1       LYS  22   9.432   6.058   6.545
  150   1HE   LYS  22          HE2       LYS  22  10.793   5.331   8.368
  151   2HE   LYS  22          HE1       LYS  22   9.245   5.858   9.024
  152   1HZ   LYS  22          HZ1       LYS  22  10.104   3.760   9.979
  153   2HZ   LYS  22          HZ2       LYS  22   9.934   3.016   8.471
  154   3HZ   LYS  22          HZ3       LYS  22   8.571   3.599   9.289
  155    H    GLN  23           HN       GLN  23   5.219   2.340   5.121
  156    HA   GLN  23           HA       GLN  23   5.559   1.089   7.652
  157   1HB   GLN  23          HB2       GLN  23   3.388   1.862   6.891
  158   2HB   GLN  23          HB1       GLN  23   3.448   0.742   5.540
  159   1HG   GLN  23          HG2       GLN  23   3.409  -1.149   7.091
  160   2HG   GLN  23          HG1       GLN  23   3.377  -0.030   8.449
  161   1HE2  GLN  23          HE21      GLN  23   1.569   0.534   5.472
  162   2HE2  GLN  23          HE22      GLN  23   0.037   0.275   6.191
  163    H    THR  24           HN       THR  24   5.230  -0.319   4.360
  164    HA   THR  24           HA       THR  24   6.374  -2.814   5.476
  165    HB   THR  24           HB       THR  24   3.949  -3.005   5.072
  166    HG1  THR  24           HG1      THR  24   4.124  -4.948   4.094
  167   1HG2  THR  24          HG21      THR  24   4.491  -1.500   2.738
  168   2HG2  THR  24          HG22      THR  24   2.954  -2.135   3.302
  169   3HG2  THR  24          HG23      THR  24   3.952  -3.091   2.214
  170    H    GLY  25           HN       GLY  25   7.345  -0.397   3.599
  171   1HA   GLY  25          HA2       GLY  25   9.176  -0.347   2.205
  172   2HA   GLY  25          HA1       GLY  25   9.193  -2.098   2.184
  173    H    CYS  26           HN       CYS  26   6.188  -1.816   1.381
  174    HA   CYS  26           HA       CYS  26   6.734  -2.060  -1.406
  175   1HB   CYS  26          HB2       CYS  26   5.260  -3.598  -0.227
  176   2HB   CYS  26          HB1       CYS  26   4.156  -2.315   0.127
  177    HA   PRO  27           HA       PRO  27   5.326   2.173  -2.128
  178   1HB   PRO  27          HB2       PRO  27   6.201   2.400  -4.651
  179   2HB   PRO  27          HB1       PRO  27   7.319   2.353  -3.286
  180   1HG   PRO  27          HG2       PRO  27   6.604   0.187  -5.209
  181   2HG   PRO  27          HG1       PRO  27   8.180   0.595  -4.510
  182   1HD   PRO  27          HD2       PRO  27   6.500  -1.415  -3.618
  183   2HD   PRO  27          HD1       PRO  27   7.816  -0.700  -2.682
  184    H    ASN  28           HN       ASN  28   3.796  -0.537  -2.868
  185    HA   ASN  28           HA       ASN  28   1.975   0.680  -4.804
  186   1HB   ASN  28          HB2       ASN  28   2.766  -2.180  -4.376
  187   2HB   ASN  28          HB1       ASN  28   1.227  -1.782  -5.080
  188   1HD2  ASN  28          HD21      ASN  28   1.112  -0.858  -7.113
  189   2HD2  ASN  28          HD22      ASN  28   2.480  -0.853  -8.168
  190    H    ALA  29           HN       ALA  29   0.564   1.665  -3.531
  191    HA   ALA  29           HA       ALA  29  -1.012   0.055  -1.672
  192   1HB   ALA  29          HB1       ALA  29  -1.050   1.667  -0.091
  193   2HB   ALA  29          HB2       ALA  29  -0.886   2.992  -1.245
  194   3HB   ALA  29          HB3       ALA  29   0.519   2.041  -0.789
  195    H    LYS  30           HN       LYS  30  -3.077  -0.118  -2.283
  196    HA   LYS  30           HA       LYS  30  -4.143   1.949  -4.117
  197   1HB   LYS  30          HB2       LYS  30  -3.667  -0.255  -5.179
  198   2HB   LYS  30          HB1       LYS  30  -4.830  -0.988  -4.083
  199   1HG   LYS  30          HG2       LYS  30  -6.635   0.260  -5.045
  200   2HG   LYS  30          HG1       LYS  30  -5.516   1.235  -6.001
  201   1HD   LYS  30          HD2       LYS  30  -6.508  -0.431  -7.420
  202   2HD   LYS  30          HD1       LYS  30  -4.801  -0.815  -7.197
  203   1HE   LYS  30          HE2       LYS  30  -5.571  -2.393  -5.330
  204   2HE   LYS  30          HE1       LYS  30  -7.198  -2.135  -5.952
  205   1HZ   LYS  30          HZ1       LYS  30  -6.481  -2.994  -8.079
  206   2HZ   LYS  30          HZ2       LYS  30  -6.162  -4.115  -6.854
  207   3HZ   LYS  30          HZ3       LYS  30  -4.900  -3.196  -7.503
  208    H    CYS  31           HN       CYS  31  -5.735   3.081  -3.228
  209    HA   CYS  31           HA       CYS  31  -7.023   2.105  -0.839
  210   1HB   CYS  31          HB2       CYS  31  -6.365   4.502  -1.153
  211   2HB   CYS  31          HB1       CYS  31  -7.663   4.649  -2.333
  212    H    ILE  32           HN       ILE  32  -8.501   0.594  -1.112
  213    HA   ILE  32           HA       ILE  32 -10.646   1.108  -3.072
  214    HB   ILE  32           HB       ILE  32 -10.940  -1.490  -2.963
  215   1HG1  ILE  32          HG12      ILE  32  -8.632  -2.594  -2.932
  216   2HG1  ILE  32          HG11      ILE  32  -8.040  -1.169  -2.109
  217   1HG2  ILE  32          HG21      ILE  32  -9.539  -1.744  -4.934
  218   2HG2  ILE  32          HG22      ILE  32  -8.725  -0.224  -4.561
  219   3HG2  ILE  32          HG23      ILE  32 -10.440  -0.229  -4.971
  220   1HD1  ILE  32          HD11      ILE  32  -8.777  -3.289  -0.803
  221   2HD1  ILE  32          HD12      ILE  32 -10.401  -2.633  -1.004
  222   3HD1  ILE  32          HD13      ILE  32  -9.161  -1.692  -0.172
  223    H    ASN  33           HN       ASN  33 -12.721   0.780  -2.397
  224    HA   ASN  33           HA       ASN  33 -14.446   0.793  -0.932
  225   1HB   ASN  33          HB2       ASN  33 -12.691  -1.094   0.664
  226   2HB   ASN  33          HB1       ASN  33 -14.410  -0.835   0.920
  227   1HD2  ASN  33          HD21      ASN  33 -15.891  -1.672  -0.571
  228   2HD2  ASN  33          HD22      ASN  33 -15.425  -2.884  -1.709
  229    H    LYS  34           HN       LYS  34 -12.246   2.735  -0.699
  230    HA   LYS  34           HA       LYS  34 -11.738   4.523   0.526
  231   1HB   LYS  34          HB2       LYS  34 -13.841   3.550   2.414
  232   2HB   LYS  34          HB1       LYS  34 -13.010   5.080   2.571
  233   1HG   LYS  34          HG2       LYS  34 -13.873   5.771   0.379
  234   2HG   LYS  34          HG1       LYS  34 -14.786   4.263   0.280
  235   1HD   LYS  34          HD2       LYS  34 -15.083   6.338   2.462
  236   2HD   LYS  34          HD1       LYS  34 -16.146   6.176   1.064
  237   1HE   LYS  34          HE2       LYS  34 -16.833   3.981   1.774
  238   2HE   LYS  34          HE1       LYS  34 -15.680   3.992   3.103
  239   1HZ   LYS  34          HZ1       LYS  34 -17.995   5.816   2.822
  240   2HZ   LYS  34          HZ2       LYS  34 -16.872   5.835   4.091
  241   3HZ   LYS  34          HZ3       LYS  34 -17.881   4.496   3.874
  242    H    SER  35           HN       SER  35 -10.437   1.855   0.941
  243    HA   SER  35           HA       SER  35  -8.998   2.613   3.387
  244   1HB   SER  35          HB2       SER  35  -9.975  -0.174   2.719
  245   2HB   SER  35          HB1       SER  35  -8.832   0.204   4.009
  246    HG   SER  35           HG       SER  35 -10.869   0.120   4.899
  247    H    CYS  36           HN       CYS  36  -6.845   2.570   3.163
  248    HA   CYS  36           HA       CYS  36  -5.654   1.988   0.621
  249   1HB   CYS  36          HB2       CYS  36  -4.658   2.912   3.279
  250   2HB   CYS  36          HB1       CYS  36  -3.493   2.211   2.165
  251    H    LYS  37           HN       LYS  37  -5.376  -0.029  -0.082
  252    HA   LYS  37           HA       LYS  37  -4.494  -2.076   1.862
  253   1HB   LYS  37          HB2       LYS  37  -6.620  -2.578   0.741
  254   2HB   LYS  37          HB1       LYS  37  -5.831  -2.461  -0.818
  255   1HG   LYS  37          HG2       LYS  37  -4.714  -4.364   1.203
  256   2HG   LYS  37          HG1       LYS  37  -6.239  -4.778   0.434
  257   1HD   LYS  37          HD2       LYS  37  -3.725  -4.073  -1.099
  258   2HD   LYS  37          HD1       LYS  37  -4.203  -5.708  -0.681
  259   1HE   LYS  37          HE2       LYS  37  -5.895  -3.808  -2.305
  260   2HE   LYS  37          HE1       LYS  37  -4.836  -5.042  -2.971
  261   1HZ   LYS  37          HZ1       LYS  37  -6.137  -6.702  -1.670
  262   2HZ   LYS  37          HZ2       LYS  37  -7.004  -5.926  -2.897
  263   3HZ   LYS  37          HZ3       LYS  37  -7.235  -5.468  -1.290
  264    H    CYS  38           HN       CYS  38  -2.417  -2.513   1.770
  265    HA   CYS  38           HA       CYS  38  -0.848  -1.736  -0.568
  266   1HB   CYS  38          HB2       CYS  38  -0.085  -2.739   2.177
  267   2HB   CYS  38          HB1       CYS  38   1.084  -2.380   0.913
  268    H    TYR  39           HN       TYR  39   0.402  -3.156  -1.762
  269    HA   TYR  39           HA       TYR  39  -0.675  -5.832  -1.999
  270   1HB   TYR  39          HB2       TYR  39   1.559  -4.406  -3.454
  271   2HB   TYR  39          HB1       TYR  39   1.032  -6.040  -3.839
  272    HD1  TYR  39           HD1      TYR  39  -0.226  -2.538  -3.619
  273    HD2  TYR  39           HD2      TYR  39  -0.701  -6.373  -5.376
  274    HE1  TYR  39           HE1      TYR  39  -1.876  -1.601  -5.148
  275    HE2  TYR  39           HE2      TYR  39  -2.371  -5.448  -6.922
  276    HH   TYR  39           HH       TYR  39  -2.711  -2.672  -7.809
  277    H    GLY  40           HN       GLY  40   1.696  -4.437  -0.062
  278   1HA   GLY  40          HA2       GLY  40   2.950  -5.477   1.532
  279   2HA   GLY  40          HA1       GLY  40   2.600  -7.034   0.798
  280    H    CYS  41           HN       CYS  41   3.515  -6.628  -1.781
  281    HA   CYS  41           HA       CYS  41   5.332  -6.824  -3.048
  282   1HB   CYS  41          HB2       CYS  41   6.294  -4.625  -1.226
  283   2HB   CYS  41          HB1       CYS  41   7.209  -5.192  -2.581
  Start of MODEL   16
    1   1H    TRP   1           HT1      TRP   1   5.985   5.405  14.155
    2   2H    TRP   1           HT2      TRP   1   6.228   3.717  14.027
    3   3H    TRP   1           HT3      TRP   1   4.797   4.425  13.397
    4    HA   TRP   1           HA       TRP   1   7.565   4.817  12.457
    5   1HB   TRP   1          HB2       TRP   1   5.154   3.463  11.214
    6   2HB   TRP   1          HB1       TRP   1   6.655   3.793  10.354
    7    HD1  TRP   1           HD1      TRP   1   8.794   2.309  11.007
    8    HE1  TRP   1           HE1      TRP   1   8.984   0.004  12.129
    9    HE3  TRP   1           HE3      TRP   1   4.086   1.972  12.976
   10    HZ2  TRP   1           HZ2      TRP   1   7.359  -1.728  13.655
   11    HZ3  TRP   1           HZ3      TRP   1   3.485  -0.044  14.251
   12    HH2  TRP   1           HH2      TRP   1   5.088  -1.853  14.583
   13    H    CYS   2           HN       CYS   2   4.154   5.372  11.568
   14    HA   CYS   2           HA       CYS   2   4.941   7.693  10.003
   15   1HB   CYS   2          HB2       CYS   2   3.314   6.139   9.075
   16   2HB   CYS   2          HB1       CYS   2   2.262   6.384  10.459
   17    H    SER   3           HN       SER   3   3.969   9.783  10.287
   18    HA   SER   3           HA       SER   3   4.085  10.821  12.846
   19   1HB   SER   3          HB2       SER   3   2.801  12.777  11.818
   20   2HB   SER   3          HB1       SER   3   4.275  12.288  10.985
   21    HG   SER   3           HG       SER   3   2.664  12.525   9.463
   22    H    THR   4           HN       THR   4   1.152  10.135  10.938
   23    HA   THR   4           HA       THR   4  -0.262   9.600  13.472
   24    HB   THR   4           HB       THR   4  -2.372  10.377  12.255
   25    HG1  THR   4           HG1      THR   4  -2.155  11.540  10.414
   26   1HG2  THR   4          HG21      THR   4  -1.340  11.709  14.016
   27   2HG2  THR   4          HG22      THR   4  -1.999  12.734  12.741
   28   3HG2  THR   4          HG23      THR   4  -0.261  12.453  12.834
   29    H    CYS   5           HN       CYS   5  -1.275   9.283  10.086
   30    HA   CYS   5           HA       CYS   5  -2.112   7.546   8.937
   31   1HB   CYS   5          HB2       CYS   5   0.349   6.350  10.177
   32   2HB   CYS   5          HB1       CYS   5  -0.586   5.499   8.966
   33    H    LEU   6           HN       LEU   6  -3.891   7.700  10.647
   34    HA   LEU   6           HA       LEU   6  -4.188   5.331  12.314
   35   1HB   LEU   6          HB2       LEU   6  -5.170   7.498  12.979
   36   2HB   LEU   6          HB1       LEU   6  -6.165   7.490  11.537
   37    HG   LEU   6           HG       LEU   6  -7.300   5.434  12.380
   38   1HD1  LEU   6          HD11      LEU   6  -5.678   5.968  14.868
   39   2HD1  LEU   6          HD12      LEU   6  -5.535   4.567  13.806
   40   3HD1  LEU   6          HD13      LEU   6  -7.009   4.817  14.735
   41   1HD2  LEU   6          HD21      LEU   6  -8.622   6.569  14.076
   42   2HD2  LEU   6          HD22      LEU   6  -8.263   7.651  12.733
   43   3HD2  LEU   6          HD23      LEU   6  -7.370   7.801  14.248
   44    H    ASP   7           HN       ASP   7  -5.887   6.747   9.533
   45    HA   ASP   7           HA       ASP   7  -5.871   4.234   8.143
   46   1HB   ASP   7          HB2       ASP   7  -7.882   4.007   9.633
   47   2HB   ASP   7          HB1       ASP   7  -8.588   5.407   8.831
   48    H    LEU   8           HN       LEU   8  -5.466   4.775   6.102
   49    HA   LEU   8           HA       LEU   8  -5.856   7.556   5.291
   50   1HB   LEU   8          HB2       LEU   8  -4.404   5.287   3.931
   51   2HB   LEU   8          HB1       LEU   8  -4.373   6.961   3.438
   52    HG   LEU   8           HG       LEU   8  -3.231   5.828   5.986
   53   1HD1  LEU   8          HD11      LEU   8  -1.098   6.434   5.050
   54   2HD1  LEU   8          HD12      LEU   8  -1.870   7.082   3.602
   55   3HD1  LEU   8          HD13      LEU   8  -1.938   5.351   3.947
   56   1HD2  LEU   8          HD21      LEU   8  -2.346   8.119   6.346
   57   2HD2  LEU   8          HD22      LEU   8  -4.098   8.029   6.454
   58   3HD2  LEU   8          HD23      LEU   8  -3.339   8.682   5.001
   59    H    ALA   9           HN       ALA   9  -8.272   6.364   5.443
   60    HA   ALA   9           HA       ALA   9  -9.271   4.933   3.341
   61   1HB   ALA   9          HB1       ALA   9 -10.581   6.999   5.082
   62   2HB   ALA   9          HB2       ALA   9 -10.613   5.249   5.252
   63   3HB   ALA   9          HB3       ALA   9 -11.482   6.012   3.930
   64    H    CYS  10           HN       CYS  10  -8.233   5.676   1.474
   65    HA   CYS  10           HA       CYS  10  -8.026   6.757  -0.483
   66   1HB   CYS  10          HB2       CYS  10 -10.867   7.483   0.229
   67   2HB   CYS  10          HB1       CYS  10 -10.119   8.090  -1.240
   68    H    THR  11           HN       THR  11  -6.573   7.868   1.332
   69    HA   THR  11           HA       THR  11  -6.969  10.769   1.275
   70    HB   THR  11           HB       THR  11  -4.656  10.810   2.299
   71    HG1  THR  11           HG1      THR  11  -3.632   8.928   2.728
   72   1HG2  THR  11          HG21      THR  11  -6.640  10.843   3.724
   73   2HG2  THR  11          HG22      THR  11  -5.329   9.932   4.473
   74   3HG2  THR  11          HG23      THR  11  -6.678   9.078   3.725
   75    H    GLY  12           HN       GLY  12  -6.104   8.397  -0.843
   76   1HA   GLY  12          HA2       GLY  12  -5.509   9.146  -3.090
   77   2HA   GLY  12          HA1       GLY  12  -4.238  10.109  -2.347
   78    H    SER  13           HN       SER  13  -4.579   7.447  -4.087
   79    HA   SER  13           HA       SER  13  -3.241   5.431  -2.647
   80   1HB   SER  13          HB2       SER  13  -3.187   5.934  -5.637
   81   2HB   SER  13          HB1       SER  13  -2.796   4.417  -4.824
   82    HG   SER  13           HG       SER  13  -5.293   5.661  -5.169
   83    H    LYS  14           HN       LYS  14  -2.025   8.025  -4.713
   84    HA   LYS  14           HA       LYS  14   0.717   7.414  -4.461
   85   1HB   LYS  14          HB2       LYS  14   1.071   9.795  -5.174
   86   2HB   LYS  14          HB1       LYS  14   0.084   8.809  -6.246
   87   1HG   LYS  14          HG2       LYS  14  -1.947   9.811  -5.182
   88   2HG   LYS  14          HG1       LYS  14  -0.871  10.879  -4.283
   89   1HD   LYS  14          HD2       LYS  14  -0.028  11.804  -6.362
   90   2HD   LYS  14          HD1       LYS  14  -1.023  10.680  -7.292
   91   1HE   LYS  14          HE2       LYS  14  -3.042  11.696  -6.315
   92   2HE   LYS  14          HE1       LYS  14  -2.023  12.844  -5.442
   93   1HZ   LYS  14          HZ1       LYS  14  -2.196  12.579  -8.396
   94   2HZ   LYS  14          HZ2       LYS  14  -1.220  13.683  -7.559
   95   3HZ   LYS  14          HZ3       LYS  14  -2.903  13.801  -7.464
   96    H    ASP  15           HN       ASP  15  -1.522   8.942  -2.339
   97    HA   ASP  15           HA       ASP  15   0.433  10.155  -0.616
   98   1HB   ASP  15          HB2       ASP  15  -1.876  10.996  -0.657
   99   2HB   ASP  15          HB1       ASP  15  -2.471   9.443  -0.105
  100    H    CYS  16           HN       CYS  16  -1.577   7.231  -0.590
  101    HA   CYS  16           HA       CYS  16  -0.625   6.114   1.801
  102   1HB   CYS  16          HB2       CYS  16  -1.671   4.732  -0.678
  103   2HB   CYS  16          HB1       CYS  16  -1.452   3.958   0.889
  104    H    TYR  17           HN       TYR  17   0.751   6.193  -1.420
  105    HA   TYR  17           HA       TYR  17   2.509   4.067  -1.345
  106   1HB   TYR  17          HB2       TYR  17   2.795   6.808  -2.569
  107   2HB   TYR  17          HB1       TYR  17   4.012   5.566  -2.800
  108    HD1  TYR  17           HD1      TYR  17   2.831   6.719  -5.147
  109    HD2  TYR  17           HD2      TYR  17   1.350   3.532  -2.729
  110    HE1  TYR  17           HE1      TYR  17   1.582   5.823  -7.065
  111    HE2  TYR  17           HE2      TYR  17   0.123   2.682  -4.640
  112    HH   TYR  17           HH       TYR  17   0.608   3.032  -7.494
  113    H    ALA  18           HN       ALA  18   2.955   7.254   0.124
  114    HA   ALA  18           HA       ALA  18   5.670   6.905   0.741
  115   1HB   ALA  18          HB1       ALA  18   4.738   8.643   2.694
  116   2HB   ALA  18          HB2       ALA  18   3.630   8.872   1.344
  117   3HB   ALA  18          HB3       ALA  18   5.361   9.055   1.101
  118    HA   PRO  19           HA       PRO  19   4.540   5.472   5.189
  119   1HB   PRO  19          HB2       PRO  19   1.670   4.826   5.211
  120   2HB   PRO  19          HB1       PRO  19   2.610   5.839   6.310
  121   1HG   PRO  19          HG2       PRO  19   0.833   6.871   4.580
  122   2HG   PRO  19          HG1       PRO  19   2.310   7.729   5.040
  123   1HD   PRO  19          HD2       PRO  19   1.738   6.142   2.600
  124   2HD   PRO  19          HD1       PRO  19   2.513   7.703   2.738
  125    H    CYS  20           HN       CYS  20   2.811   4.116   2.456
  126    HA   CYS  20           HA       CYS  20   2.686   1.435   3.325
  127   1HB   CYS  20          HB2       CYS  20   1.482   2.392   1.341
  128   2HB   CYS  20          HB1       CYS  20   3.007   2.411   0.466
  129    H    ARG  21           HN       ARG  21   5.058   3.152   1.279
  130    HA   ARG  21           HA       ARG  21   6.914   1.015   1.134
  131   1HB   ARG  21          HB2       ARG  21   7.015   2.886  -0.393
  132   2HB   ARG  21          HB1       ARG  21   7.309   4.005   0.921
  133   1HG   ARG  21          HG2       ARG  21   9.462   2.894   1.364
  134   2HG   ARG  21          HG1       ARG  21   9.160   1.811   0.004
  135   1HD   ARG  21          HD2       ARG  21   9.111   3.693  -1.501
  136   2HD   ARG  21          HD1       ARG  21   9.340   4.820  -0.165
  137    HE   ARG  21           HE       ARG  21  11.514   3.396   0.154
  138   1HH1  ARG  21          HH11      ARG  21  10.110   4.521  -2.868
  139   2HH1  ARG  21          HH12      ARG  21  11.629   4.583  -3.668
  140   1HH2  ARG  21          HH21      ARG  21  13.511   3.506  -0.936
  141   2HH2  ARG  21          HH22      ARG  21  13.557   4.020  -2.590
  142    H    LYS  22           HN       LYS  22   6.704   3.851   3.236
  143    HA   LYS  22           HA       LYS  22   9.003   3.529   4.719
  144   1HB   LYS  22          HB2       LYS  22   7.525   5.506   4.716
  145   2HB   LYS  22          HB1       LYS  22   6.341   4.608   5.651
  146   1HG   LYS  22          HG2       LYS  22   7.846   4.474   7.527
  147   2HG   LYS  22          HG1       LYS  22   9.123   5.255   6.588
  148   1HD   LYS  22          HD2       LYS  22   7.763   7.278   6.403
  149   2HD   LYS  22          HD1       LYS  22   6.462   6.498   7.306
  150   1HE   LYS  22          HE2       LYS  22   7.722   7.972   8.750
  151   2HE   LYS  22          HE1       LYS  22   7.946   6.298   9.250
  152   1HZ   LYS  22          HZ1       LYS  22  10.005   7.635   9.236
  153   2HZ   LYS  22          HZ2       LYS  22   9.877   7.801   7.559
  154   3HZ   LYS  22          HZ3       LYS  22  10.097   6.269   8.247
  155    H    GLN  23           HN       GLN  23   5.835   1.997   5.259
  156    HA   GLN  23           HA       GLN  23   6.884   0.719   7.691
  157   1HB   GLN  23          HB2       GLN  23   4.084   0.907   6.586
  158   2HB   GLN  23          HB1       GLN  23   4.522   0.082   8.080
  159   1HG   GLN  23          HG2       GLN  23   5.326   2.180   9.019
  160   2HG   GLN  23          HG1       GLN  23   4.917   3.014   7.521
  161   1HE2  GLN  23          HE21      GLN  23   3.660   1.461  10.377
  162   2HE2  GLN  23          HE22      GLN  23   2.058   2.091  10.232
  163    H    THR  24           HN       THR  24   5.232  -0.217   4.661
  164    HA   THR  24           HA       THR  24   5.520  -3.017   5.341
  165    HB   THR  24           HB       THR  24   4.177  -3.519   3.482
  166    HG1  THR  24           HG1      THR  24   4.140  -2.350   1.631
  167   1HG2  THR  24          HG21      THR  24   3.271  -0.703   4.060
  168   2HG2  THR  24          HG22      THR  24   3.057  -2.023   5.206
  169   3HG2  THR  24          HG23      THR  24   2.298  -2.098   3.620
  170    H    GLY  25           HN       GLY  25   7.242  -0.686   3.385
  171   1HA   GLY  25          HA2       GLY  25   9.493  -1.080   2.739
  172   2HA   GLY  25          HA1       GLY  25   9.161  -2.798   2.611
  173    H    CYS  26           HN       CYS  26   6.525  -2.034   1.245
  174    HA   CYS  26           HA       CYS  26   7.697  -1.596  -1.402
  175   1HB   CYS  26          HB2       CYS  26   5.274  -3.170  -0.555
  176   2HB   CYS  26          HB1       CYS  26   5.681  -2.830  -2.234
  177    HA   PRO  27           HA       PRO  27   5.171   2.082  -1.380
  178   1HB   PRO  27          HB2       PRO  27   6.070   3.171  -3.616
  179   2HB   PRO  27          HB1       PRO  27   7.194   2.829  -2.306
  180   1HG   PRO  27          HG2       PRO  27   6.683   1.238  -4.783
  181   2HG   PRO  27          HG1       PRO  27   8.231   1.698  -4.049
  182   1HD   PRO  27          HD2       PRO  27   6.968  -0.744  -3.685
  183   2HD   PRO  27          HD1       PRO  27   8.186  -0.046  -2.597
  184    H    ASN  28           HN       ASN  28   4.029  -0.525  -2.669
  185    HA   ASN  28           HA       ASN  28   2.370   0.777  -4.721
  186   1HB   ASN  28          HB2       ASN  28   3.162  -2.103  -4.342
  187   2HB   ASN  28          HB1       ASN  28   1.832  -1.620  -5.393
  188   1HD2  ASN  28          HD21      ASN  28   2.742  -2.224  -7.307
  189   2HD2  ASN  28          HD22      ASN  28   4.154  -1.473  -7.959
  190    H    ALA  29           HN       ALA  29   0.557   1.452  -3.893
  191    HA   ALA  29           HA       ALA  29  -1.129  -0.326  -2.316
  192   1HB   ALA  29          HB1       ALA  29  -1.736   1.515  -0.813
  193   2HB   ALA  29          HB2       ALA  29  -0.552   2.555  -1.608
  194   3HB   ALA  29          HB3       ALA  29  -0.026   1.141  -0.720
  195    H    LYS  30           HN       LYS  30  -3.407   0.534  -2.206
  196    HA   LYS  30           HA       LYS  30  -4.205   2.469  -4.181
  197   1HB   LYS  30          HB2       LYS  30  -3.814   0.489  -5.615
  198   2HB   LYS  30          HB1       LYS  30  -4.928  -0.441  -4.628
  199   1HG   LYS  30          HG2       LYS  30  -6.008   0.243  -6.657
  200   2HG   LYS  30          HG1       LYS  30  -6.760   1.066  -5.292
  201   1HD   LYS  30          HD2       LYS  30  -5.419   3.064  -5.797
  202   2HD   LYS  30          HD1       LYS  30  -4.704   2.239  -7.174
  203   1HE   LYS  30          HE2       LYS  30  -7.650   2.801  -6.818
  204   2HE   LYS  30          HE1       LYS  30  -6.542   3.790  -7.766
  205   1HZ   LYS  30          HZ1       LYS  30  -7.708   2.298  -9.201
  206   2HZ   LYS  30          HZ2       LYS  30  -7.252   0.955  -8.284
  207   3HZ   LYS  30          HZ3       LYS  30  -6.085   1.823  -9.152
  208    H    CYS  31           HN       CYS  31  -6.260   3.262  -3.764
  209    HA   CYS  31           HA       CYS  31  -7.544   2.195  -1.367
  210   1HB   CYS  31          HB2       CYS  31  -7.066   4.657  -1.596
  211   2HB   CYS  31          HB1       CYS  31  -8.309   4.700  -2.844
  212    H    ILE  32           HN       ILE  32  -8.794   0.503  -1.820
  213    HA   ILE  32           HA       ILE  32 -10.847   0.888  -3.913
  214    HB   ILE  32           HB       ILE  32 -10.858  -1.805  -3.679
  215   1HG1  ILE  32          HG12      ILE  32  -8.429  -2.524  -3.830
  216   2HG1  ILE  32          HG11      ILE  32  -7.980  -0.973  -3.152
  217   1HG2  ILE  32          HG21      ILE  32  -9.632  -1.871  -5.771
  218   2HG2  ILE  32          HG22      ILE  32  -9.052  -0.226  -5.498
  219   3HG2  ILE  32          HG23      ILE  32 -10.774  -0.528  -5.739
  220   1HD1  ILE  32          HD11      ILE  32  -8.457  -3.253  -1.758
  221   2HD1  ILE  32          HD12      ILE  32  -9.997  -2.436  -1.593
  222   3HD1  ILE  32          HD13      ILE  32  -8.515  -1.640  -1.082
  223    H    ASN  33           HN       ASN  33 -12.895   0.832  -3.273
  224    HA   ASN  33           HA       ASN  33 -14.713   0.771  -1.925
  225   1HB   ASN  33          HB2       ASN  33 -13.222  -1.429  -0.458
  226   2HB   ASN  33          HB1       ASN  33 -14.908  -1.011  -0.212
  227   1HD2  ASN  33          HD21      ASN  33 -13.601  -3.507  -1.122
  228   2HD2  ASN  33          HD22      ASN  33 -14.379  -3.879  -2.618
  229    H    LYS  34           HN       LYS  34 -12.572   2.594  -1.450
  230    HA   LYS  34           HA       LYS  34 -11.967   4.186  -0.013
  231   1HB   LYS  34          HB2       LYS  34 -14.057   3.038   1.798
  232   2HB   LYS  34          HB1       LYS  34 -13.108   4.461   2.178
  233   1HG   LYS  34          HG2       LYS  34 -13.988   5.450   0.009
  234   2HG   LYS  34          HG1       LYS  34 -15.140   4.108  -0.001
  235   1HD   LYS  34          HD2       LYS  34 -15.978   4.793   2.184
  236   2HD   LYS  34          HD1       LYS  34 -14.800   6.107   2.240
  237   1HE   LYS  34          HE2       LYS  34 -15.858   6.982   0.117
  238   2HE   LYS  34          HE1       LYS  34 -17.136   5.791   0.371
  239   1HZ   LYS  34          HZ1       LYS  34 -17.735   7.946   1.259
  240   2HZ   LYS  34          HZ2       LYS  34 -16.378   7.949   2.267
  241   3HZ   LYS  34          HZ3       LYS  34 -17.612   6.812   2.508
  242    H    SER  35           HN       SER  35 -11.173   1.111   0.259
  243    HA   SER  35           HA       SER  35  -9.668   1.372   2.753
  244   1HB   SER  35          HB2       SER  35 -11.097  -0.649   2.437
  245   2HB   SER  35          HB1       SER  35 -10.110  -1.094   1.050
  246    HG   SER  35           HG       SER  35  -9.433  -2.122   2.982
  247    H    CYS  36           HN       CYS  36  -7.828   2.478   2.275
  248    HA   CYS  36           HA       CYS  36  -6.395   1.952  -0.192
  249   1HB   CYS  36          HB2       CYS  36  -6.589   4.231   1.023
  250   2HB   CYS  36          HB1       CYS  36  -5.321   3.605   2.069
  251    H    LYS  37           HN       LYS  37  -5.708  -0.115  -0.152
  252    HA   LYS  37           HA       LYS  37  -4.194  -1.024   2.212
  253   1HB   LYS  37          HB2       LYS  37  -4.642  -3.259   1.456
  254   2HB   LYS  37          HB1       LYS  37  -6.149  -2.352   1.511
  255   1HG   LYS  37          HG2       LYS  37  -6.403  -2.305  -0.737
  256   2HG   LYS  37          HG1       LYS  37  -4.686  -2.441  -1.088
  257   1HD   LYS  37          HD2       LYS  37  -4.750  -4.785  -0.309
  258   2HD   LYS  37          HD1       LYS  37  -6.497  -4.625  -0.085
  259   1HE   LYS  37          HE2       LYS  37  -6.787  -4.170  -2.436
  260   2HE   LYS  37          HE1       LYS  37  -5.045  -4.179  -2.687
  261   1HZ   LYS  37          HZ1       LYS  37  -6.045  -6.250  -3.361
  262   2HZ   LYS  37          HZ2       LYS  37  -6.675  -6.498  -1.812
  263   3HZ   LYS  37          HZ3       LYS  37  -4.998  -6.502  -2.057
  264    H    CYS  38           HN       CYS  38  -2.352  -2.375   1.880
  265    HA   CYS  38           HA       CYS  38  -0.769  -1.670  -0.516
  266   1HB   CYS  38          HB2       CYS  38   0.066  -2.647   2.223
  267   2HB   CYS  38          HB1       CYS  38   1.171  -2.451   0.868
  268    H    TYR  39           HN       TYR  39   0.062  -3.301  -1.771
  269    HA   TYR  39           HA       TYR  39  -1.376  -5.800  -1.658
  270   1HB   TYR  39          HB2       TYR  39   0.794  -4.828  -3.532
  271   2HB   TYR  39          HB1       TYR  39  -0.123  -6.317  -3.745
  272    HD1  TYR  39           HD1      TYR  39  -2.461  -6.261  -4.424
  273    HD2  TYR  39           HD2      TYR  39  -0.249  -2.655  -3.936
  274    HE1  TYR  39           HE1      TYR  39  -4.212  -5.026  -5.624
  275    HE2  TYR  39           HE2      TYR  39  -1.994  -1.415  -5.133
  276    HH   TYR  39           HH       TYR  39  -4.975  -2.388  -5.566
  277    H    GLY  40           HN       GLY  40   1.417  -4.710  -0.166
  278   1HA   GLY  40          HA2       GLY  40   2.738  -5.869   1.278
  279   2HA   GLY  40          HA1       GLY  40   2.074  -7.382   0.678
  280    H    CYS  41           HN       CYS  41   4.564  -7.691   1.036
  281    HA   CYS  41           HA       CYS  41   5.941  -7.101  -1.518
  282   1HB   CYS  41          HB2       CYS  41   7.122  -7.546   1.232
  283   2HB   CYS  41          HB1       CYS  41   8.036  -7.251  -0.246
  Start of MODEL   17
    1   1H    TRP   1           HT1      TRP   1   1.884   2.039  14.472
    2   2H    TRP   1           HT2      TRP   1   0.803   2.455  13.207
    3   3H    TRP   1           HT3      TRP   1   1.615   3.681  14.085
    4    HA   TRP   1           HA       TRP   1   3.686   3.035  13.280
    5   1HB   TRP   1          HB2       TRP   1   3.808   1.264  11.464
    6   2HB   TRP   1          HB1       TRP   1   3.510   0.684  13.093
    7    HD1  TRP   1           HD1      TRP   1   1.891   0.895   9.660
    8    HE1  TRP   1           HE1      TRP   1  -0.223  -0.568   9.639
    9    HE3  TRP   1           HE3      TRP   1   1.630  -0.237  14.641
   10    HZ2  TRP   1           HZ2      TRP   1  -1.784  -2.020  11.476
   11    HZ3  TRP   1           HZ3      TRP   1  -0.208  -1.675  15.423
   12    HH2  TRP   1           HH2      TRP   1  -1.878  -2.546  13.871
   13    H    CYS   2           HN       CYS   2   0.816   2.782  11.155
   14    HA   CYS   2           HA       CYS   2   2.005   4.787   9.387
   15   1HB   CYS   2          HB2       CYS   2   0.061   4.320   7.941
   16   2HB   CYS   2          HB1       CYS   2   1.092   2.952   8.201
   17    H    SER   3           HN       SER   3   1.891   6.450  10.947
   18    HA   SER   3           HA       SER   3  -0.259   7.291  12.410
   19   1HB   SER   3          HB2       SER   3   1.680   9.171  11.048
   20   2HB   SER   3          HB1       SER   3   0.856   9.395  12.596
   21    HG   SER   3           HG       SER   3   2.154   7.887  13.512
   22    H    THR   4           HN       THR   4   0.396   8.016   8.995
   23    HA   THR   4           HA       THR   4  -2.254   9.316   8.852
   24    HB   THR   4           HB       THR   4   0.031   9.804   6.914
   25    HG1  THR   4           HG1      THR   4   0.709  11.450   8.190
   26   1HG2  THR   4          HG21      THR   4  -1.215  11.855   6.453
   27   2HG2  THR   4          HG22      THR   4  -2.438  11.393   7.634
   28   3HG2  THR   4          HG23      THR   4  -2.223  10.440   6.168
   29    H    CYS   5           HN       CYS   5  -2.424   6.668   8.731
   30    HA   CYS   5           HA       CYS   5  -2.691   6.097   5.827
   31   1HB   CYS   5          HB2       CYS   5  -2.548   3.760   6.303
   32   2HB   CYS   5          HB1       CYS   5  -1.181   4.559   7.026
   33    H    LEU   6           HN       LEU   6  -4.271   6.325   8.898
   34    HA   LEU   6           HA       LEU   6  -6.589   4.861   8.137
   35   1HB   LEU   6          HB2       LEU   6  -7.497   5.713  10.324
   36   2HB   LEU   6          HB1       LEU   6  -6.020   4.776  10.384
   37    HG   LEU   6           HG       LEU   6  -4.823   7.118  10.439
   38   1HD1  LEU   6          HD11      LEU   6  -6.539   8.618  10.038
   39   2HD1  LEU   6          HD12      LEU   6  -6.263   8.736  11.759
   40   3HD1  LEU   6          HD13      LEU   6  -7.645   7.825  11.148
   41   1HD2  LEU   6          HD21      LEU   6  -4.789   5.471  12.236
   42   2HD2  LEU   6          HD22      LEU   6  -6.343   6.077  12.814
   43   3HD2  LEU   6          HD23      LEU   6  -4.918   7.119  12.850
   44    H    ASP   7           HN       ASP   7  -5.679   8.223   7.930
   45    HA   ASP   7           HA       ASP   7  -8.447   8.904   7.133
   46   1HB   ASP   7          HB2       ASP   7  -7.523  10.174   9.064
   47   2HB   ASP   7          HB1       ASP   7  -6.228  10.766   8.032
   48    H    LEU   8           HN       LEU   8  -6.384   7.541   5.511
   49    HA   LEU   8           HA       LEU   8  -6.067   9.568   3.416
   50   1HB   LEU   8          HB2       LEU   8  -3.983   8.606   4.566
   51   2HB   LEU   8          HB1       LEU   8  -4.371   7.107   3.742
   52    HG   LEU   8           HG       LEU   8  -4.145   8.274   1.566
   53   1HD1  LEU   8          HD11      LEU   8  -3.471  10.482   1.366
   54   2HD1  LEU   8          HD12      LEU   8  -2.980  10.609   3.049
   55   3HD1  LEU   8          HD13      LEU   8  -4.678  10.580   2.624
   56   1HD2  LEU   8          HD21      LEU   8  -2.259   7.081   2.571
   57   2HD2  LEU   8          HD22      LEU   8  -1.761   8.563   3.390
   58   3HD2  LEU   8          HD23      LEU   8  -1.735   8.472   1.635
   59    H    ALA   9           HN       ALA   9  -8.202   7.596   4.174
   60    HA   ALA   9           HA       ALA   9  -8.286   5.442   2.436
   61   1HB   ALA   9          HB1       ALA   9  -9.712   5.689   4.396
   62   2HB   ALA   9          HB2       ALA   9 -10.664   5.359   2.950
   63   3HB   ALA   9          HB3       ALA   9 -10.591   6.997   3.606
   64    H    CYS  10           HN       CYS  10  -7.585   6.163   0.409
   65    HA   CYS  10           HA       CYS  10  -7.814   6.794  -1.716
   66   1HB   CYS  10          HB2       CYS  10 -10.744   6.753  -0.967
   67   2HB   CYS  10          HB1       CYS  10 -10.208   7.166  -2.585
   68    H    THR  11           HN       THR  11  -7.075   8.688   0.162
   69    HA   THR  11           HA       THR  11  -8.340  11.192  -0.621
   70    HB   THR  11           HB       THR  11  -5.729  10.761   0.858
   71    HG1  THR  11           HG1      THR  11  -7.121  11.201   2.744
   72   1HG2  THR  11          HG21      THR  11  -7.548  13.154   0.618
   73   2HG2  THR  11          HG22      THR  11  -5.906  13.004  -0.011
   74   3HG2  THR  11          HG23      THR  11  -6.183  13.039   1.728
   75    H    GLY  12           HN       GLY  12  -5.644   9.150  -1.449
   76   1HA   GLY  12          HA2       GLY  12  -5.382  10.033  -4.047
   77   2HA   GLY  12          HA1       GLY  12  -4.224  10.970  -3.105
   78    H    SER  13           HN       SER  13  -4.302   8.416  -5.039
   79    HA   SER  13           HA       SER  13  -3.133   6.335  -3.550
   80   1HB   SER  13          HB2       SER  13  -2.284   5.592  -5.869
   81   2HB   SER  13          HB1       SER  13  -4.025   5.748  -5.636
   82    HG   SER  13           HG       SER  13  -2.272   7.465  -7.022
   83    H    LYS  14           HN       LYS  14  -1.671   9.033  -5.341
   84    HA   LYS  14           HA       LYS  14   1.009   8.259  -4.971
   85   1HB   LYS  14          HB2       LYS  14   1.593  10.584  -5.468
   86   2HB   LYS  14          HB1       LYS  14   0.435   9.918  -6.608
   87   1HG   LYS  14          HG2       LYS  14  -1.366  11.147  -5.636
   88   2HG   LYS  14          HG1       LYS  14  -0.360  11.663  -4.284
   89   1HD   LYS  14          HD2       LYS  14  -0.606  13.466  -5.887
   90   2HD   LYS  14          HD1       LYS  14   1.071  12.924  -5.831
   91   1HE   LYS  14          HE2       LYS  14   0.623  11.543  -7.868
   92   2HE   LYS  14          HE1       LYS  14  -0.992  12.244  -7.926
   93   1HZ   LYS  14          HZ1       LYS  14   0.019  14.423  -8.197
   94   2HZ   LYS  14          HZ2       LYS  14   0.539  13.365  -9.409
   95   3HZ   LYS  14          HZ3       LYS  14   1.568  13.741  -8.121
   96    H    ASP  15           HN       ASP  15  -1.295   9.834  -2.902
   97    HA   ASP  15           HA       ASP  15   0.574  10.675  -0.900
   98   1HB   ASP  15          HB2       ASP  15  -2.408  10.166  -0.819
   99   2HB   ASP  15          HB1       ASP  15  -1.491  10.701   0.573
  100    H    CYS  16           HN       CYS  16  -1.526   7.860  -1.376
  101    HA   CYS  16           HA       CYS  16  -0.923   6.481   0.980
  102   1HB   CYS  16          HB2       CYS  16  -1.588   5.329  -1.731
  103   2HB   CYS  16          HB1       CYS  16  -1.670   4.473  -0.210
  104    H    TYR  17           HN       TYR  17   0.835   6.683  -2.052
  105    HA   TYR  17           HA       TYR  17   2.507   4.497  -1.849
  106   1HB   TYR  17          HB2       TYR  17   3.091   7.251  -2.942
  107   2HB   TYR  17          HB1       TYR  17   4.163   5.877  -3.172
  108    HD1  TYR  17           HD1      TYR  17   1.342   4.121  -3.378
  109    HD2  TYR  17           HD2      TYR  17   3.205   7.332  -5.477
  110    HE1  TYR  17           HE1      TYR  17   0.138   3.487  -5.394
  111    HE2  TYR  17           HE2      TYR  17   1.988   6.697  -7.509
  112    HH   TYR  17           HH       TYR  17  -0.507   5.186  -7.777
  113    H    ALA  18           HN       ALA  18   2.922   7.646  -0.273
  114    HA   ALA  18           HA       ALA  18   5.562   7.163   0.580
  115   1HB   ALA  18          HB1       ALA  18   5.304   9.342   0.827
  116   2HB   ALA  18          HB2       ALA  18   4.609   8.992   2.405
  117   3HB   ALA  18          HB3       ALA  18   3.559   9.235   1.011
  118    HA   PRO  19           HA       PRO  19   3.849   5.847   4.939
  119   1HB   PRO  19          HB2       PRO  19   1.006   5.190   4.376
  120   2HB   PRO  19          HB1       PRO  19   1.727   6.046   5.744
  121   1HG   PRO  19          HG2       PRO  19   0.322   7.335   3.877
  122   2HG   PRO  19          HG1       PRO  19   1.747   8.069   4.637
  123   1HD   PRO  19          HD2       PRO  19   1.491   6.779   1.972
  124   2HD   PRO  19          HD1       PRO  19   2.337   8.244   2.422
  125    H    CYS  20           HN       CYS  20   2.471   4.454   2.001
  126    HA   CYS  20           HA       CYS  20   2.344   1.769   2.865
  127   1HB   CYS  20          HB2       CYS  20   1.243   2.622   0.820
  128   2HB   CYS  20          HB1       CYS  20   2.818   2.832   0.064
  129    H    ARG  21           HN       ARG  21   4.869   3.611   1.166
  130    HA   ARG  21           HA       ARG  21   6.741   1.478   1.027
  131   1HB   ARG  21          HB2       ARG  21   6.787   3.630  -0.296
  132   2HB   ARG  21          HB1       ARG  21   7.367   4.443   1.132
  133   1HG   ARG  21          HG2       ARG  21   9.347   3.012   1.156
  134   2HG   ARG  21          HG1       ARG  21   8.748   2.178  -0.271
  135   1HD   ARG  21          HD2       ARG  21  10.324   3.711  -1.067
  136   2HD   ARG  21          HD1       ARG  21   8.753   4.411  -1.449
  137    HE   ARG  21           HE       ARG  21   9.610   5.393   1.050
  138   1HH1  ARG  21          HH11      ARG  21  10.310   5.687  -2.380
  139   2HH1  ARG  21          HH12      ARG  21  11.099   7.210  -2.200
  140   1HH2  ARG  21          HH21      ARG  21  10.669   7.402   1.268
  141   2HH2  ARG  21          HH22      ARG  21  11.306   8.190  -0.136
  142    H    LYS  22           HN       LYS  22   6.081   4.022   3.395
  143    HA   LYS  22           HA       LYS  22   8.292   3.577   5.080
  144   1HB   LYS  22          HB2       LYS  22   6.933   5.583   5.221
  145   2HB   LYS  22          HB1       LYS  22   5.525   4.646   5.686
  146   1HG   LYS  22          HG2       LYS  22   7.973   4.496   7.402
  147   2HG   LYS  22          HG1       LYS  22   6.991   5.961   7.447
  148   1HD   LYS  22          HD2       LYS  22   5.040   4.712   8.079
  149   2HD   LYS  22          HD1       LYS  22   5.884   3.185   7.900
  150   1HE   LYS  22          HE2       LYS  22   5.759   3.709  10.219
  151   2HE   LYS  22          HE1       LYS  22   7.435   3.871   9.705
  152   1HZ   LYS  22          HZ1       LYS  22   5.523   6.123  10.048
  153   2HZ   LYS  22          HZ2       LYS  22   7.157   6.257   9.627
  154   3HZ   LYS  22          HZ3       LYS  22   6.723   5.678  11.154
  155    H    GLN  23           HN       GLN  23   5.151   1.988   4.842
  156    HA   GLN  23           HA       GLN  23   5.568   0.468   7.265
  157   1HB   GLN  23          HB2       GLN  23   3.315   1.105   6.737
  158   2HB   GLN  23          HB1       GLN  23   3.424   0.357   5.147
  159   1HG   GLN  23          HG2       GLN  23   3.686  -1.851   6.243
  160   2HG   GLN  23          HG1       GLN  23   3.494  -1.059   7.804
  161   1HE2  GLN  23          HE21      GLN  23   1.696  -2.367   8.239
  162   2HE2  GLN  23          HE22      GLN  23   0.174  -2.071   7.478
  163    H    THR  24           HN       THR  24   5.042  -0.516   3.854
  164    HA   THR  24           HA       THR  24   6.254  -3.097   4.562
  165    HB   THR  24           HB       THR  24   3.889  -3.007   3.718
  166    HG1  THR  24           HG1      THR  24   5.709  -4.489   2.074
  167   1HG2  THR  24          HG21      THR  24   4.588  -1.224   1.911
  168   2HG2  THR  24          HG22      THR  24   3.329  -2.395   1.581
  169   3HG2  THR  24          HG23      THR  24   4.956  -2.651   0.960
  170    H    GLY  25           HN       GLY  25   7.357  -0.334   3.152
  171   1HA   GLY  25          HA2       GLY  25   9.455  -0.094   2.237
  172   2HA   GLY  25          HA1       GLY  25   9.531  -1.818   1.948
  173    H    CYS  26           HN       CYS  26   7.077  -1.971   0.408
  174    HA   CYS  26           HA       CYS  26   8.120  -0.814  -2.057
  175   1HB   CYS  26          HB2       CYS  26   6.170  -3.077  -1.666
  176   2HB   CYS  26          HB1       CYS  26   6.832  -2.521  -3.202
  177    HA   PRO  27           HA       PRO  27   4.795   2.090  -1.481
  178   1HB   PRO  27          HB2       PRO  27   5.502   3.843  -3.365
  179   2HB   PRO  27          HB1       PRO  27   6.546   3.535  -1.995
  180   1HG   PRO  27          HG2       PRO  27   6.715   2.356  -4.738
  181   2HG   PRO  27          HG1       PRO  27   7.993   3.138  -3.787
  182   1HD   PRO  27          HD2       PRO  27   7.686   0.443  -3.887
  183   2HD   PRO  27          HD1       PRO  27   8.315   1.290  -2.457
  184    H    ASN  28           HN       ASN  28   4.314  -0.320  -3.332
  185    HA   ASN  28           HA       ASN  28   2.569   0.972  -5.300
  186   1HB   ASN  28          HB2       ASN  28   2.377  -1.291  -6.308
  187   2HB   ASN  28          HB1       ASN  28   4.003  -0.626  -6.312
  188   1HD2  ASN  28          HD21      ASN  28   2.047  -3.217  -5.305
  189   2HD2  ASN  28          HD22      ASN  28   3.234  -4.098  -4.452
  190    H    ALA  29           HN       ALA  29   0.653   1.441  -4.484
  191    HA   ALA  29           HA       ALA  29  -0.826  -0.641  -3.021
  192   1HB   ALA  29          HB1       ALA  29  -1.001   0.523  -1.130
  193   2HB   ALA  29          HB2       ALA  29  -1.226   2.060  -1.952
  194   3HB   ALA  29          HB3       ALA  29   0.388   1.429  -1.705
  195    H    LYS  30           HN       LYS  30  -3.075  -0.345  -2.954
  196    HA   LYS  30           HA       LYS  30  -4.212   1.638  -4.820
  197   1HB   LYS  30          HB2       LYS  30  -4.067  -0.531  -5.978
  198   2HB   LYS  30          HB1       LYS  30  -4.955  -1.299  -4.668
  199   1HG   LYS  30          HG2       LYS  30  -6.918   0.047  -5.189
  200   2HG   LYS  30          HG1       LYS  30  -6.023   0.868  -6.474
  201   1HD   LYS  30          HD2       LYS  30  -5.743  -1.259  -7.647
  202   2HD   LYS  30          HD1       LYS  30  -6.607  -2.096  -6.354
  203   1HE   LYS  30          HE2       LYS  30  -8.617  -0.821  -6.854
  204   2HE   LYS  30          HE1       LYS  30  -7.759   0.071  -8.111
  205   1HZ   LYS  30          HZ1       LYS  30  -7.447  -2.000  -9.318
  206   2HZ   LYS  30          HZ2       LYS  30  -9.088  -1.705  -9.042
  207   3HZ   LYS  30          HZ3       LYS  30  -8.273  -2.856  -8.111
  208    H    CYS  31           HN       CYS  31  -5.843   2.737  -3.861
  209    HA   CYS  31           HA       CYS  31  -6.341   2.123  -1.120
  210   1HB   CYS  31          HB2       CYS  31  -7.356   4.236  -0.945
  211   2HB   CYS  31          HB1       CYS  31  -6.034   4.436  -2.083
  212    H    ILE  32           HN       ILE  32  -8.168   1.566  -0.093
  213    HA   ILE  32           HA       ILE  32 -10.597   1.036  -1.687
  214    HB   ILE  32           HB       ILE  32 -11.127  -0.836  -0.135
  215   1HG1  ILE  32          HG12      ILE  32  -8.247  -0.523   0.763
  216   2HG1  ILE  32          HG11      ILE  32  -9.662  -0.162   1.742
  217   1HG2  ILE  32          HG21      ILE  32 -10.152  -1.246  -2.359
  218   2HG2  ILE  32          HG22      ILE  32  -9.719  -2.490  -1.192
  219   3HG2  ILE  32          HG23      ILE  32  -8.544  -1.251  -1.636
  220   1HD1  ILE  32          HD11      ILE  32  -8.754  -2.850   0.769
  221   2HD1  ILE  32          HD12      ILE  32 -10.321  -2.562   1.527
  222   3HD1  ILE  32          HD13      ILE  32  -8.835  -2.261   2.427
  223    H    ASN  33           HN       ASN  33 -12.553   1.271  -0.391
  224    HA   ASN  33           HA       ASN  33 -12.484   3.658   1.107
  225   1HB   ASN  33          HB2       ASN  33 -14.441   2.896  -0.202
  226   2HB   ASN  33          HB1       ASN  33 -14.729   1.627   0.986
  227   1HD2  ASN  33          HD21      ASN  33 -16.735   2.400   1.632
  228   2HD2  ASN  33          HD22      ASN  33 -16.918   3.882   2.499
  229    H    LYS  34           HN       LYS  34 -10.865   3.030   2.629
  230    HA   LYS  34           HA       LYS  34 -11.712   2.828   5.213
  231   1HB   LYS  34          HB2       LYS  34 -12.333   0.466   4.700
  232   2HB   LYS  34          HB1       LYS  34 -10.668   0.141   4.251
  233   1HG   LYS  34          HG2       LYS  34 -10.022   0.767   6.593
  234   2HG   LYS  34          HG1       LYS  34 -11.740   0.882   6.968
  235   1HD   LYS  34          HD2       LYS  34 -10.294  -1.576   5.980
  236   2HD   LYS  34          HD1       LYS  34 -10.794  -1.268   7.642
  237   1HE   LYS  34          HE2       LYS  34 -13.157  -1.137   6.824
  238   2HE   LYS  34          HE1       LYS  34 -12.573  -1.657   5.241
  239   1HZ   LYS  34          HZ1       LYS  34 -11.750  -3.687   6.250
  240   2HZ   LYS  34          HZ2       LYS  34 -13.407  -3.505   6.529
  241   3HZ   LYS  34          HZ3       LYS  34 -12.306  -3.187   7.771
  242    H    SER  35           HN       SER  35  -9.196   1.631   3.019
  243    HA   SER  35           HA       SER  35  -7.137   3.272   4.263
  244   1HB   SER  35          HB2       SER  35  -6.970   0.236   4.351
  245   2HB   SER  35          HB1       SER  35  -5.718   1.362   4.875
  246    HG   SER  35           HG       SER  35  -6.977   1.960   6.585
  247    H    CYS  36           HN       CYS  36  -4.975   2.803   3.178
  248    HA   CYS  36           HA       CYS  36  -5.373   2.378   0.309
  249   1HB   CYS  36          HB2       CYS  36  -2.836   3.144   1.758
  250   2HB   CYS  36          HB1       CYS  36  -3.159   3.208   0.029
  251    H    LYS  37           HN       LYS  37  -5.473   0.223  -0.158
  252    HA   LYS  37           HA       LYS  37  -4.070  -1.685   1.469
  253   1HB   LYS  37          HB2       LYS  37  -6.285  -2.180   0.596
  254   2HB   LYS  37          HB1       LYS  37  -5.680  -2.066  -1.051
  255   1HG   LYS  37          HG2       LYS  37  -4.254  -4.008  -0.690
  256   2HG   LYS  37          HG1       LYS  37  -4.768  -4.088   0.993
  257   1HD   LYS  37          HD2       LYS  37  -5.937  -5.740  -0.352
  258   2HD   LYS  37          HD1       LYS  37  -7.065  -4.533   0.267
  259   1HE   LYS  37          HE2       LYS  37  -7.109  -3.418  -1.877
  260   2HE   LYS  37          HE1       LYS  37  -5.865  -4.500  -2.506
  261   1HZ   LYS  37          HZ1       LYS  37  -8.062  -5.148  -3.239
  262   2HZ   LYS  37          HZ2       LYS  37  -8.594  -5.302  -1.642
  263   3HZ   LYS  37          HZ3       LYS  37  -7.404  -6.347  -2.243
  264    H    CYS  38           HN       CYS  38  -1.967  -1.947   1.251
  265    HA   CYS  38           HA       CYS  38  -0.596  -1.639  -1.290
  266   1HB   CYS  38          HB2       CYS  38   0.426  -2.600   1.392
  267   2HB   CYS  38          HB1       CYS  38   1.414  -2.176  -0.001
  268    H    TYR  39           HN       TYR  39   0.451  -3.350  -2.390
  269    HA   TYR  39           HA       TYR  39  -0.874  -5.939  -2.094
  270   1HB   TYR  39          HB2       TYR  39   1.291  -5.140  -4.058
  271   2HB   TYR  39          HB1       TYR  39   0.259  -6.561  -4.137
  272    HD1  TYR  39           HD1      TYR  39  -2.159  -6.307  -4.720
  273    HD2  TYR  39           HD2      TYR  39   0.524  -3.018  -4.854
  274    HE1  TYR  39           HE1      TYR  39  -3.733  -5.067  -6.148
  275    HE2  TYR  39           HE2      TYR  39  -1.014  -1.783  -6.284
  276    HH   TYR  39           HH       TYR  39  -4.201  -2.600  -6.701
  277    H    GLY  40           HN       GLY  40   1.348  -4.682  -0.246
  278   1HA   GLY  40          HA2       GLY  40   2.932  -5.608   1.112
  279   2HA   GLY  40          HA1       GLY  40   2.850  -7.107   0.191
  280    H    CYS  41           HN       CYS  41   3.488  -6.664  -2.220
  281    HA   CYS  41           HA       CYS  41   5.245  -4.629  -2.892
  282   1HB   CYS  41          HB2       CYS  41   6.719  -5.964  -1.248
  283   2HB   CYS  41          HB1       CYS  41   6.734  -7.234  -2.453
  Start of MODEL   18
    1   1H    TRP   1           HT1      TRP   1   4.408   0.733  12.166
    2   2H    TRP   1           HT2      TRP   1   5.311  -0.661  11.751
    3   3H    TRP   1           HT3      TRP   1   4.209   0.007  10.632
    4    HA   TRP   1           HA       TRP   1   6.695   1.203  11.649
    5   1HB   TRP   1          HB2       TRP   1   5.885   0.067   9.002
    6   2HB   TRP   1          HB1       TRP   1   7.266   1.132   9.150
    7    HD1  TRP   1           HD1      TRP   1   6.395  -2.426   9.189
    8    HE1  TRP   1           HE1      TRP   1   8.340  -3.827  10.125
    9    HE3  TRP   1           HE3      TRP   1   9.194   1.334  11.229
   10    HZ2  TRP   1           HZ2      TRP   1  10.739  -3.395  11.547
   11    HZ3  TRP   1           HZ3      TRP   1  11.300   0.755  12.363
   12    HH2  TRP   1           HH2      TRP   1  12.053  -1.560  12.518
   13    H    CYS   2           HN       CYS   2   3.782   1.666   9.676
   14    HA   CYS   2           HA       CYS   2   4.486   4.462   9.273
   15   1HB   CYS   2          HB2       CYS   2   2.436   4.564   7.904
   16   2HB   CYS   2          HB1       CYS   2   3.588   3.361   7.355
   17    H    SER   3           HN       SER   3   4.282   5.533  11.164
   18    HA   SER   3           HA       SER   3   2.132   5.111  13.005
   19   1HB   SER   3          HB2       SER   3   3.967   7.508  12.756
   20   2HB   SER   3          HB1       SER   3   3.036   7.021  14.175
   21    HG   SER   3           HG       SER   3   5.232   6.350  14.286
   22    H    THR   4           HN       THR   4   2.391   6.804  10.043
   23    HA   THR   4           HA       THR   4   0.263   8.690  10.603
   24    HB   THR   4           HB       THR   4   0.532   9.093   8.044
   25    HG1  THR   4           HG1      THR   4   1.659   7.316   7.389
   26   1HG2  THR   4          HG21      THR   4   2.867   9.609   9.883
   27   2HG2  THR   4          HG22      THR   4   1.421  10.610   9.737
   28   3HG2  THR   4          HG23      THR   4   2.523  10.449   8.371
   29    H    CYS   5           HN       CYS   5   0.246   5.455  10.169
   30    HA   CYS   5           HA       CYS   5  -1.982   5.312   8.320
   31   1HB   CYS   5          HB2       CYS   5  -0.475   3.227   9.890
   32   2HB   CYS   5          HB1       CYS   5  -1.904   2.849   8.946
   33    H    LEU   6           HN       LEU   6  -2.880   6.945  10.101
   34    HA   LEU   6           HA       LEU   6  -4.376   5.498  12.164
   35   1HB   LEU   6          HB2       LEU   6  -4.380   8.430  11.414
   36   2HB   LEU   6          HB1       LEU   6  -5.225   7.718  12.780
   37    HG   LEU   6           HG       LEU   6  -2.223   7.811  12.432
   38   1HD1  LEU   6          HD11      LEU   6  -2.281   9.456  14.232
   39   2HD1  LEU   6          HD12      LEU   6  -4.044   9.390  14.252
   40   3HD1  LEU   6          HD13      LEU   6  -3.198  10.018  12.836
   41   1HD2  LEU   6          HD21      LEU   6  -2.903   5.862  13.701
   42   2HD2  LEU   6          HD22      LEU   6  -3.938   6.856  14.726
   43   3HD2  LEU   6          HD23      LEU   6  -2.187   7.055  14.778
   44    H    ASP   7           HN       ASP   7  -5.031   7.759   9.507
   45    HA   ASP   7           HA       ASP   7  -7.135   6.016   8.524
   46   1HB   ASP   7          HB2       ASP   7  -8.439   7.430   9.997
   47   2HB   ASP   7          HB1       ASP   7  -7.701   8.882   9.324
   48    H    LEU   8           HN       LEU   8  -6.799   5.853   6.412
   49    HA   LEU   8           HA       LEU   8  -5.934   8.212   4.887
   50   1HB   LEU   8          HB2       LEU   8  -4.227   6.886   3.702
   51   2HB   LEU   8          HB1       LEU   8  -3.843   7.177   5.383
   52    HG   LEU   8           HG       LEU   8  -5.057   4.558   4.485
   53   1HD1  LEU   8          HD11      LEU   8  -2.989   4.990   3.207
   54   2HD1  LEU   8          HD12      LEU   8  -2.831   3.640   4.309
   55   3HD1  LEU   8          HD13      LEU   8  -2.116   5.202   4.712
   56   1HD2  LEU   8          HD21      LEU   8  -5.155   4.628   6.797
   57   2HD2  LEU   8          HD22      LEU   8  -3.668   5.556   6.950
   58   3HD2  LEU   8          HD23      LEU   8  -3.608   3.844   6.534
   59    H    ALA   9           HN       ALA   9  -8.376   6.611   5.216
   60    HA   ALA   9           HA       ALA   9  -8.816   4.858   3.106
   61   1HB   ALA   9          HB1       ALA   9 -10.815   6.616   4.525
   62   2HB   ALA   9          HB2       ALA   9 -10.253   5.035   5.067
   63   3HB   ALA   9          HB3       ALA   9 -11.183   5.174   3.575
   64    H    CYS  10           HN       CYS  10  -7.896   5.747   1.257
   65    HA   CYS  10           HA       CYS  10  -7.902   6.754  -0.731
   66   1HB   CYS  10          HB2       CYS  10 -10.775   7.311   0.010
   67   2HB   CYS  10          HB1       CYS  10 -10.088   7.909  -1.486
   68    H    THR  11           HN       THR  11  -6.591   8.003   1.197
   69    HA   THR  11           HA       THR  11  -7.226  10.856   0.973
   70    HB   THR  11           HB       THR  11  -6.324   9.835   3.130
   71    HG1  THR  11           HG1      THR  11  -4.795  11.946   1.939
   72   1HG2  THR  11          HG21      THR  11  -4.601   8.411   1.861
   73   2HG2  THR  11          HG22      THR  11  -4.081   9.219   3.336
   74   3HG2  THR  11          HG23      THR  11  -3.650   9.895   1.770
   75    H    GLY  12           HN       GLY  12  -6.250   8.746  -1.148
   76   1HA   GLY  12          HA2       GLY  12  -5.378   9.537  -3.229
   77   2HA   GLY  12          HA1       GLY  12  -4.159  10.432  -2.338
   78    H    SER  13           HN       SER  13  -4.539   7.788  -4.187
   79    HA   SER  13           HA       SER  13  -3.178   5.734  -2.819
   80   1HB   SER  13          HB2       SER  13  -2.536   5.043  -5.243
   81   2HB   SER  13          HB1       SER  13  -4.244   5.110  -4.814
   82    HG   SER  13           HG       SER  13  -2.744   6.934  -6.355
   83    H    LYS  14           HN       LYS  14  -2.044   8.492  -4.693
   84    HA   LYS  14           HA       LYS  14   0.711   7.750  -4.550
   85   1HB   LYS  14          HB2       LYS  14  -0.669  10.311  -5.322
   86   2HB   LYS  14          HB1       LYS  14   1.074  10.066  -5.448
   87   1HG   LYS  14          HG2       LYS  14   0.851   8.411  -7.085
   88   2HG   LYS  14          HG1       LYS  14  -0.878   8.211  -6.787
   89   1HD   LYS  14          HD2       LYS  14  -1.299  10.440  -7.681
   90   2HD   LYS  14          HD1       LYS  14   0.432  10.664  -7.962
   91   1HE   LYS  14          HE2       LYS  14   0.481   8.962  -9.599
   92   2HE   LYS  14          HE1       LYS  14  -1.128   8.383  -9.166
   93   1HZ   LYS  14          HZ1       LYS  14  -1.173   9.654 -11.197
   94   2HZ   LYS  14          HZ2       LYS  14  -0.511  11.001 -10.421
   95   3HZ   LYS  14          HZ3       LYS  14  -2.055  10.451  -9.994
   96    H    ASP  15           HN       ASP  15  -1.422   9.062  -2.302
   97    HA   ASP  15           HA       ASP  15   0.667  10.352  -0.741
   98   1HB   ASP  15          HB2       ASP  15  -1.760  11.163  -0.733
   99   2HB   ASP  15          HB1       ASP  15  -2.151   9.710   0.182
  100    H    CYS  16           HN       CYS  16  -1.440   7.519  -0.777
  101    HA   CYS  16           HA       CYS  16  -0.540   6.292   1.578
  102   1HB   CYS  16          HB2       CYS  16  -1.655   5.012  -0.920
  103   2HB   CYS  16          HB1       CYS  16  -1.527   4.240   0.659
  104    H    TYR  17           HN       TYR  17   0.934   6.541  -1.558
  105    HA   TYR  17           HA       TYR  17   2.667   4.398  -1.605
  106   1HB   TYR  17          HB2       TYR  17   3.008   7.262  -2.453
  107   2HB   TYR  17          HB1       TYR  17   4.302   6.090  -2.682
  108    HD1  TYR  17           HD1      TYR  17   3.466   7.398  -5.027
  109    HD2  TYR  17           HD2      TYR  17   1.595   4.073  -3.137
  110    HE1  TYR  17           HE1      TYR  17   2.491   6.704  -7.171
  111    HE2  TYR  17           HE2      TYR  17   0.640   3.388  -5.258
  112    HH   TYR  17           HH       TYR  17   1.592   4.053  -8.016
  113    H    ALA  18           HN       ALA  18   2.920   7.347   0.308
  114    HA   ALA  18           HA       ALA  18   5.530   6.760   1.269
  115   1HB   ALA  18          HB1       ALA  18   5.221   8.938   1.601
  116   2HB   ALA  18          HB2       ALA  18   4.577   8.445   3.163
  117   3HB   ALA  18          HB3       ALA  18   3.483   8.797   1.825
  118    HA   PRO  19           HA       PRO  19   3.241   5.185   5.371
  119   1HB   PRO  19          HB2       PRO  19   0.673   4.379   4.050
  120   2HB   PRO  19          HB1       PRO  19   0.990   4.972   5.677
  121   1HG   PRO  19          HG2       PRO  19  -0.078   6.565   3.865
  122   2HG   PRO  19          HG1       PRO  19   1.117   7.171   5.028
  123   1HD   PRO  19          HD2       PRO  19   1.470   6.521   2.167
  124   2HD   PRO  19          HD1       PRO  19   2.178   7.795   3.111
  125    H    CYS  20           HN       CYS  20   2.212   3.705   2.269
  126    HA   CYS  20           HA       CYS  20   2.535   1.038   3.159
  127   1HB   CYS  20          HB2       CYS  20   2.491   2.241   0.390
  128   2HB   CYS  20          HB1       CYS  20   2.605   0.504   0.671
  129    H    ARG  21           HN       ARG  21   4.734   3.233   1.434
  130    HA   ARG  21           HA       ARG  21   6.863   1.388   1.131
  131   1HB   ARG  21          HB2       ARG  21   6.752   3.527  -0.060
  132   2HB   ARG  21          HB1       ARG  21   6.964   4.400   1.440
  133   1HG   ARG  21          HG2       ARG  21   9.189   3.393   1.696
  134   2HG   ARG  21          HG1       ARG  21   8.963   2.534   0.173
  135   1HD   ARG  21          HD2       ARG  21   8.726   4.690  -0.967
  136   2HD   ARG  21          HD1       ARG  21   9.027   5.524   0.551
  137    HE   ARG  21           HE       ARG  21  11.237   4.263   0.531
  138   1HH1  ARG  21          HH11      ARG  21   9.610   5.390  -2.382
  139   2HH1  ARG  21          HH12      ARG  21  11.068   5.467  -3.286
  140   1HH2  ARG  21          HH21      ARG  21  13.145   4.391  -0.700
  141   2HH2  ARG  21          HH22      ARG  21  13.068   4.913  -2.350
  142    H    LYS  22           HN       LYS  22   6.001   3.677   3.684
  143    HA   LYS  22           HA       LYS  22   8.281   3.271   5.299
  144   1HB   LYS  22          HB2       LYS  22   6.660   5.184   5.416
  145   2HB   LYS  22          HB1       LYS  22   5.503   4.102   6.181
  146   1HG   LYS  22          HG2       LYS  22   7.027   3.778   8.054
  147   2HG   LYS  22          HG1       LYS  22   8.221   4.813   7.265
  148   1HD   LYS  22          HD2       LYS  22   6.538   6.663   7.311
  149   2HD   LYS  22          HD1       LYS  22   5.490   5.623   8.261
  150   1HE   LYS  22          HE2       LYS  22   6.669   7.095   9.739
  151   2HE   LYS  22          HE1       LYS  22   7.295   5.467   9.973
  152   1HZ   LYS  22          HZ1       LYS  22   9.014   7.223   9.855
  153   2HZ   LYS  22          HZ2       LYS  22   8.598   7.501   8.240
  154   3HZ   LYS  22          HZ3       LYS  22   9.224   6.000   8.710
  155    H    GLN  23           HN       GLN  23   5.130   1.709   5.144
  156    HA   GLN  23           HA       GLN  23   5.469   0.170   7.491
  157   1HB   GLN  23          HB2       GLN  23   3.286   0.801   6.712
  158   2HB   GLN  23          HB1       GLN  23   3.518  -0.099   5.238
  159   1HG   GLN  23          HG2       GLN  23   2.084  -1.298   6.768
  160   2HG   GLN  23          HG1       GLN  23   3.579  -2.184   6.500
  161   1HE2  GLN  23          HE21      GLN  23   3.367  -3.349   8.421
  162   2HE2  GLN  23          HE22      GLN  23   3.597  -2.607   9.964
  163    H    THR  24           HN       THR  24   5.460  -0.757   4.048
  164    HA   THR  24           HA       THR  24   6.606  -3.351   4.877
  165    HB   THR  24           HB       THR  24   5.733  -4.180   2.712
  166    HG1  THR  24           HG1      THR  24   4.339  -2.808   1.510
  167   1HG2  THR  24          HG21      THR  24   4.420  -4.422   4.753
  168   2HG2  THR  24          HG22      THR  24   3.401  -4.222   3.328
  169   3HG2  THR  24          HG23      THR  24   3.650  -2.868   4.427
  170    H    GLY  25           HN       GLY  25   7.340  -0.539   2.968
  171   1HA   GLY  25          HA2       GLY  25   9.670  -0.245   2.333
  172   2HA   GLY  25          HA1       GLY  25   9.727  -1.943   1.899
  173    H    CYS  26           HN       CYS  26   7.092  -1.946   0.660
  174    HA   CYS  26           HA       CYS  26   7.857  -0.695  -1.863
  175   1HB   CYS  26          HB2       CYS  26   5.725  -2.735  -1.319
  176   2HB   CYS  26          HB1       CYS  26   6.227  -2.162  -2.887
  177    HA   PRO  27           HA       PRO  27   4.879   2.454  -0.862
  178   1HB   PRO  27          HB2       PRO  27   5.133   3.940  -3.111
  179   2HB   PRO  27          HB1       PRO  27   6.387   3.871  -1.883
  180   1HG   PRO  27          HG2       PRO  27   6.211   2.390  -4.468
  181   2HG   PRO  27          HG1       PRO  27   7.603   3.216  -3.742
  182   1HD   PRO  27          HD2       PRO  27   7.232   0.523  -3.599
  183   2HD   PRO  27          HD1       PRO  27   8.081   1.453  -2.348
  184    H    ASN  28           HN       ASN  28   4.657   0.488  -3.744
  185    HA   ASN  28           HA       ASN  28   2.476   1.571  -4.992
  186   1HB   ASN  28          HB2       ASN  28   3.151  -1.374  -4.850
  187   2HB   ASN  28          HB1       ASN  28   2.151  -0.597  -6.074
  188   1HD2  ASN  28          HD21      ASN  28   3.125   0.848  -7.561
  189   2HD2  ASN  28          HD22      ASN  28   4.820   0.747  -7.878
  190    H    ALA  29           HN       ALA  29   0.408   1.818  -4.495
  191    HA   ALA  29           HA       ALA  29  -1.031  -0.128  -2.896
  192   1HB   ALA  29          HB1       ALA  29  -1.500   1.227  -1.089
  193   2HB   ALA  29          HB2       ALA  29  -1.161   2.717  -1.971
  194   3HB   ALA  29          HB3       ALA  29   0.160   1.685  -1.454
  195    H    LYS  30           HN       LYS  30  -3.316   0.557  -2.588
  196    HA   LYS  30           HA       LYS  30  -4.389   2.488  -4.472
  197   1HB   LYS  30          HB2       LYS  30  -4.338   0.456  -5.854
  198   2HB   LYS  30          HB1       LYS  30  -5.176  -0.442  -4.592
  199   1HG   LYS  30          HG2       LYS  30  -7.078   1.258  -4.886
  200   2HG   LYS  30          HG1       LYS  30  -6.233   1.765  -6.344
  201   1HD   LYS  30          HD2       LYS  30  -7.175  -1.044  -5.756
  202   2HD   LYS  30          HD1       LYS  30  -8.043   0.130  -6.744
  203   1HE   LYS  30          HE2       LYS  30  -6.129   0.225  -8.291
  204   2HE   LYS  30          HE1       LYS  30  -5.308  -0.969  -7.294
  205   1HZ   LYS  30          HZ1       LYS  30  -7.866  -1.414  -8.703
  206   2HZ   LYS  30          HZ2       LYS  30  -7.041  -2.552  -7.757
  207   3HZ   LYS  30          HZ3       LYS  30  -6.354  -1.988  -9.195
  208    H    CYS  31           HN       CYS  31  -6.271   3.383  -3.636
  209    HA   CYS  31           HA       CYS  31  -6.973   2.462  -0.971
  210   1HB   CYS  31          HB2       CYS  31  -7.946   4.516  -0.589
  211   2HB   CYS  31          HB1       CYS  31  -6.647   4.926  -1.688
  212    H    ILE  32           HN       ILE  32  -8.822   1.518  -0.396
  213    HA   ILE  32           HA       ILE  32 -10.870   1.036  -2.482
  214    HB   ILE  32           HB       ILE  32 -11.375  -1.088  -1.280
  215   1HG1  ILE  32          HG12      ILE  32  -8.822  -0.457   0.218
  216   2HG1  ILE  32          HG11      ILE  32 -10.432  -0.563   0.918
  217   1HG2  ILE  32          HG21      ILE  32  -9.958  -1.012  -3.305
  218   2HG2  ILE  32          HG22      ILE  32  -9.574  -2.362  -2.246
  219   3HG2  ILE  32          HG23      ILE  32  -8.530  -0.940  -2.273
  220   1HD1  ILE  32          HD11      ILE  32  -8.701  -2.750  -0.178
  221   2HD1  ILE  32          HD12      ILE  32 -10.413  -2.977   0.185
  222   3HD1  ILE  32          HD13      ILE  32  -9.289  -2.535   1.469
  223    H    ASN  33           HN       ASN  33 -13.042   0.811  -1.626
  224    HA   ASN  33           HA       ASN  33 -13.635   2.969   0.111
  225   1HB   ASN  33          HB2       ASN  33 -15.411   0.756  -0.936
  226   2HB   ASN  33          HB1       ASN  33 -15.999   2.187  -0.093
  227   1HD2  ASN  33          HD21      ASN  33 -15.861   4.219  -1.129
  228   2HD2  ASN  33          HD22      ASN  33 -15.645   4.323  -2.839
  229    H    LYS  34           HN       LYS  34 -12.311   2.274   1.895
  230    HA   LYS  34           HA       LYS  34 -13.623   1.546   4.166
  231   1HB   LYS  34          HB2       LYS  34 -13.932  -0.710   3.185
  232   2HB   LYS  34          HB1       LYS  34 -12.201  -0.846   2.952
  233   1HG   LYS  34          HG2       LYS  34 -12.956  -2.115   4.866
  234   2HG   LYS  34          HG1       LYS  34 -11.881  -0.813   5.372
  235   1HD   LYS  34          HD2       LYS  34 -13.808   0.534   6.040
  236   2HD   LYS  34          HD1       LYS  34 -14.903  -0.733   5.480
  237   1HE   LYS  34          HE2       LYS  34 -14.627  -0.797   7.898
  238   2HE   LYS  34          HE1       LYS  34 -13.993  -2.260   7.149
  239   1HZ   LYS  34          HZ1       LYS  34 -11.781  -1.489   7.448
  240   2HZ   LYS  34          HZ2       LYS  34 -12.576  -1.293   8.924
  241   3HZ   LYS  34          HZ3       LYS  34 -12.294   0.050   7.937
  242    H    SER  35           HN       SER  35 -10.613   1.028   2.376
  243    HA   SER  35           HA       SER  35  -9.053   2.505   4.316
  244   1HB   SER  35          HB2       SER  35  -7.546   0.512   4.749
  245   2HB   SER  35          HB1       SER  35  -9.145   0.404   5.482
  246    HG   SER  35           HG       SER  35  -8.364  -1.513   4.316
  247    H    CYS  36           HN       CYS  36  -6.763   2.696   3.598
  248    HA   CYS  36           HA       CYS  36  -6.567   2.433   0.688
  249   1HB   CYS  36          HB2       CYS  36  -5.883   4.546   2.030
  250   2HB   CYS  36          HB1       CYS  36  -4.433   3.645   2.388
  251    H    LYS  37           HN       LYS  37  -5.895   0.480   0.048
  252    HA   LYS  37           HA       LYS  37  -4.237  -1.094   1.889
  253   1HB   LYS  37          HB2       LYS  37  -6.401  -1.983   1.119
  254   2HB   LYS  37          HB1       LYS  37  -5.818  -1.923  -0.536
  255   1HG   LYS  37          HG2       LYS  37  -4.011  -3.534   0.141
  256   2HG   LYS  37          HG1       LYS  37  -4.775  -3.634   1.718
  257   1HD   LYS  37          HD2       LYS  37  -5.483  -5.500   0.376
  258   2HD   LYS  37          HD1       LYS  37  -6.854  -4.418   0.626
  259   1HE   LYS  37          HE2       LYS  37  -6.787  -5.183  -1.666
  260   2HE   LYS  37          HE1       LYS  37  -6.470  -3.458  -1.623
  261   1HZ   LYS  37          HZ1       LYS  37  -4.161  -3.850  -1.964
  262   2HZ   LYS  37          HZ2       LYS  37  -4.997  -4.758  -3.114
  263   3HZ   LYS  37          HZ3       LYS  37  -4.334  -5.523  -1.760
  264    H    CYS  38           HN       CYS  38  -2.253  -1.766   1.417
  265    HA   CYS  38           HA       CYS  38  -0.903  -0.745  -0.932
  266   1HB   CYS  38          HB2       CYS  38   0.262  -2.646   1.085
  267   2HB   CYS  38          HB1       CYS  38   1.089  -1.443   0.097
  268    H    TYR  39           HN       TYR  39   0.408  -2.228  -2.314
  269    HA   TYR  39           HA       TYR  39  -1.253  -4.452  -3.166
  270   1HB   TYR  39          HB2       TYR  39   1.227  -3.142  -4.251
  271   2HB   TYR  39          HB1       TYR  39   0.709  -4.702  -4.878
  272    HD1  TYR  39           HD1      TYR  39  -1.915  -4.793  -5.458
  273    HD2  TYR  39           HD2      TYR  39   0.479  -1.296  -5.435
  274    HE1  TYR  39           HE1      TYR  39  -3.478  -3.710  -7.009
  275    HE2  TYR  39           HE2      TYR  39  -1.062  -0.194  -6.981
  276    HH   TYR  39           HH       TYR  39  -3.354  -0.353  -7.738
  277    H    GLY  40           HN       GLY  40   1.044  -4.189  -0.798
  278   1HA   GLY  40          HA2       GLY  40   1.611  -6.027   0.511
  279   2HA   GLY  40          HA1       GLY  40   1.508  -7.081  -0.887
  280    H    CYS  41           HN       CYS  41   3.641  -6.587   1.137
  281    HA   CYS  41           HA       CYS  41   5.874  -6.774  -0.614
  282   1HB   CYS  41          HB2       CYS  41   5.447  -4.315  -0.631
  283   2HB   CYS  41          HB1       CYS  41   5.766  -4.274   1.046
  Start of MODEL   19
    1   1H    TRP   1           HT1      TRP   1   4.179   1.127  12.331
    2   2H    TRP   1           HT2      TRP   1   5.480   0.032  12.332
    3   3H    TRP   1           HT3      TRP   1   4.684   0.392  10.863
    4    HA   TRP   1           HA       TRP   1   6.403   2.131  12.508
    5   1HB   TRP   1          HB2       TRP   1   6.654   1.526   9.557
    6   2HB   TRP   1          HB1       TRP   1   7.877   2.123  10.674
    7    HD1  TRP   1           HD1      TRP   1   6.709  -0.987   9.064
    8    HE1  TRP   1           HE1      TRP   1   7.893  -3.032  10.077
    9    HE3  TRP   1           HE3      TRP   1   8.774   1.232  13.179
   10    HZ2  TRP   1           HZ2      TRP   1   9.498  -3.626  12.328
   11    HZ3  TRP   1           HZ3      TRP   1  10.123  -0.143  14.707
   12    HH2  TRP   1           HH2      TRP   1  10.476  -2.520  14.290
   13    H    CYS   2           HN       CYS   2   3.598   1.993  10.586
   14    HA   CYS   2           HA       CYS   2   3.886   4.534   9.322
   15   1HB   CYS   2          HB2       CYS   2   2.627   2.693   8.306
   16   2HB   CYS   2          HB1       CYS   2   1.465   2.756   9.625
   17    H    SER   3           HN       SER   3   4.009   6.214  10.672
   18    HA   SER   3           HA       SER   3   2.169   6.457  12.939
   19   1HB   SER   3          HB2       SER   3   4.338   8.366  12.032
   20   2HB   SER   3          HB1       SER   3   3.543   8.302  13.608
   21    HG   SER   3           HG       SER   3   4.617   6.451  14.081
   22    H    THR   4           HN       THR   4   1.715   6.891   9.780
   23    HA   THR   4           HA       THR   4  -0.154   9.081  10.161
   24    HB   THR   4           HB       THR   4   1.898   9.185   7.912
   25    HG1  THR   4           HG1      THR   4   1.842  10.654  10.372
   26   1HG2  THR   4          HG21      THR   4  -0.179  10.307   7.377
   27   2HG2  THR   4          HG22      THR   4   1.068  11.505   7.710
   28   3HG2  THR   4          HG23      THR   4  -0.160  11.155   8.925
   29    H    CYS   5           HN       CYS   5  -1.627   7.299   9.897
   30    HA   CYS   5           HA       CYS   5  -2.608   7.142   7.261
   31   1HB   CYS   5          HB2       CYS   5  -2.453   4.572   7.089
   32   2HB   CYS   5          HB1       CYS   5  -1.041   5.529   6.693
   33    H    LEU   6           HN       LEU   6  -3.987   8.071   9.162
   34    HA   LEU   6           HA       LEU   6  -5.382   6.057  10.697
   35   1HB   LEU   6          HB2       LEU   6  -4.807   8.323  11.564
   36   2HB   LEU   6          HB1       LEU   6  -5.960   9.020  10.453
   37    HG   LEU   6           HG       LEU   6  -7.779   7.773  11.585
   38   1HD1  LEU   6          HD11      LEU   6  -6.566   5.863  12.402
   39   2HD1  LEU   6          HD12      LEU   6  -7.270   6.709  13.771
   40   3HD1  LEU   6          HD13      LEU   6  -5.550   6.884  13.419
   41   1HD2  LEU   6          HD21      LEU   6  -7.790   9.096  13.635
   42   2HD2  LEU   6          HD22      LEU   6  -7.234  10.060  12.268
   43   3HD2  LEU   6          HD23      LEU   6  -6.069   9.437  13.439
   44    H    ASP   7           HN       ASP   7  -6.795   8.700   8.709
   45    HA   ASP   7           HA       ASP   7  -8.714   6.713   7.641
   46   1HB   ASP   7          HB2       ASP   7  -9.258   9.567   8.489
   47   2HB   ASP   7          HB1       ASP   7 -10.408   8.530   7.651
   48    H    LEU   8           HN       LEU   8  -7.164   6.579   5.856
   49    HA   LEU   8           HA       LEU   8  -7.316   8.900   4.055
   50   1HB   LEU   8          HB2       LEU   8  -5.448   6.562   4.137
   51   2HB   LEU   8          HB1       LEU   8  -5.577   7.593   2.724
   52    HG   LEU   8           HG       LEU   8  -4.980   9.537   4.259
   53   1HD1  LEU   8          HD11      LEU   8  -4.331   7.232   6.080
   54   2HD1  LEU   8          HD12      LEU   8  -5.349   8.632   6.409
   55   3HD1  LEU   8          HD13      LEU   8  -3.609   8.834   6.253
   56   1HD2  LEU   8          HD21      LEU   8  -2.939   7.362   3.802
   57   2HD2  LEU   8          HD22      LEU   8  -2.597   9.071   4.079
   58   3HD2  LEU   8          HD23      LEU   8  -3.449   8.570   2.620
   59    H    ALA   9           HN       ALA   9  -9.623   7.391   4.433
   60    HA   ALA   9           HA       ALA   9 -10.053   5.231   2.760
   61   1HB   ALA   9          HB1       ALA   9 -12.035   7.374   3.534
   62   2HB   ALA   9          HB2       ALA   9 -11.612   5.959   4.496
   63   3HB   ALA   9          HB3       ALA   9 -12.425   5.755   2.946
   64    H    CYS  10           HN       CYS  10  -8.882   5.704   0.839
   65    HA   CYS  10           HA       CYS  10  -8.555   6.430  -1.227
   66   1HB   CYS  10          HB2       CYS  10 -11.524   6.412  -1.069
   67   2HB   CYS  10          HB1       CYS  10 -10.808   7.219  -2.456
   68    H    THR  11           HN       THR  11  -7.757   8.116   0.556
   69    HA   THR  11           HA       THR  11  -8.652  10.787  -0.187
   70    HB   THR  11           HB       THR  11  -6.258   9.938   1.490
   71    HG1  THR  11           HG1      THR  11  -7.867  10.668   3.200
   72   1HG2  THR  11          HG21      THR  11  -6.000  12.208   0.736
   73   2HG2  THR  11          HG22      THR  11  -6.501  12.235   2.423
   74   3HG2  THR  11          HG23      THR  11  -7.671  12.590   1.154
   75    H    GLY  12           HN       GLY  12  -6.593   8.362  -1.350
   76   1HA   GLY  12          HA2       GLY  12  -5.983   9.227  -3.728
   77   2HA   GLY  12          HA1       GLY  12  -4.837  10.191  -2.805
   78    H    SER  13           HN       SER  13  -4.955   7.526  -4.617
   79    HA   SER  13           HA       SER  13  -3.767   5.501  -3.103
   80   1HB   SER  13          HB2       SER  13  -3.314   6.131  -6.029
   81   2HB   SER  13          HB1       SER  13  -3.012   4.583  -5.243
   82    HG   SER  13           HG       SER  13  -5.090   4.837  -6.374
   83    H    LYS  14           HN       LYS  14  -2.293   8.257  -4.787
   84    HA   LYS  14           HA       LYS  14   0.372   7.432  -4.180
   85   1HB   LYS  14          HB2       LYS  14  -0.677  10.054  -5.174
   86   2HB   LYS  14          HB1       LYS  14   1.031   9.629  -5.061
   87   1HG   LYS  14          HG2       LYS  14   0.625   7.749  -6.606
   88   2HG   LYS  14          HG1       LYS  14  -1.048   8.286  -6.777
   89   1HD   LYS  14          HD2       LYS  14  -0.276  10.417  -7.683
   90   2HD   LYS  14          HD1       LYS  14   1.402   9.903  -7.485
   91   1HE   LYS  14          HE2       LYS  14  -0.658   8.583  -9.255
   92   2HE   LYS  14          HE1       LYS  14   0.651   9.634  -9.793
   93   1HZ   LYS  14          HZ1       LYS  14   0.872   6.939  -8.588
   94   2HZ   LYS  14          HZ2       LYS  14   2.204   7.972  -8.752
   95   3HZ   LYS  14          HZ3       LYS  14   1.369   7.440 -10.122
   96    H    ASP  15           HN       ASP  15  -2.065   8.979  -2.434
   97    HA   ASP  15           HA       ASP  15  -0.297  10.261  -0.536
   98   1HB   ASP  15          HB2       ASP  15  -2.726  10.978  -1.063
   99   2HB   ASP  15          HB1       ASP  15  -3.228   9.594  -0.103
  100    H    CYS  16           HN       CYS  16  -1.897   7.243  -1.125
  101    HA   CYS  16           HA       CYS  16  -1.379   6.087   1.463
  102   1HB   CYS  16          HB2       CYS  16  -2.192   4.773  -1.138
  103   2HB   CYS  16          HB1       CYS  16  -2.220   4.049   0.444
  104    H    TYR  17           HN       TYR  17   0.317   6.496  -1.524
  105    HA   TYR  17           HA       TYR  17   2.126   4.435  -1.660
  106   1HB   TYR  17          HB2       TYR  17   2.346   7.366  -2.207
  107   2HB   TYR  17          HB1       TYR  17   3.806   6.411  -2.246
  108    HD1  TYR  17           HD1      TYR  17   4.183   6.948  -4.568
  109    HD2  TYR  17           HD2      TYR  17   0.629   4.941  -3.375
  110    HE1  TYR  17           HE1      TYR  17   3.729   6.356  -6.902
  111    HE2  TYR  17           HE2      TYR  17   0.163   4.353  -5.703
  112    HH   TYR  17           HH       TYR  17   2.005   4.127  -7.946
  113    H    ALA  18           HN       ALA  18   2.516   7.409   0.269
  114    HA   ALA  18           HA       ALA  18   4.976   6.792   1.375
  115   1HB   ALA  18          HB1       ALA  18   2.838   8.711   1.999
  116   2HB   ALA  18          HB2       ALA  18   4.571   8.938   1.823
  117   3HB   ALA  18          HB3       ALA  18   3.920   8.339   3.343
  118    HA   PRO  19           HA       PRO  19   2.729   4.938   5.367
  119   1HB   PRO  19          HB2       PRO  19   0.239   4.045   3.964
  120   2HB   PRO  19          HB1       PRO  19   0.462   4.570   5.613
  121   1HG   PRO  19          HG2       PRO  19  -0.647   6.179   3.846
  122   2HG   PRO  19          HG1       PRO  19   0.494   6.821   5.041
  123   1HD   PRO  19          HD2       PRO  19   0.913   6.284   2.162
  124   2HD   PRO  19          HD1       PRO  19   1.541   7.560   3.167
  125    H    CYS  20           HN       CYS  20   1.779   3.504   2.217
  126    HA   CYS  20           HA       CYS  20   2.299   0.842   3.049
  127   1HB   CYS  20          HB2       CYS  20   1.959   2.128   0.352
  128   2HB   CYS  20          HB1       CYS  20   2.347   0.415   0.492
  129    H    ARG  21           HN       ARG  21   4.315   3.271   1.484
  130    HA   ARG  21           HA       ARG  21   6.493   1.511   0.940
  131   1HB   ARG  21          HB2       ARG  21   6.035   3.823  -0.060
  132   2HB   ARG  21          HB1       ARG  21   6.709   4.492   1.421
  133   1HG   ARG  21          HG2       ARG  21   8.822   3.357   0.977
  134   2HG   ARG  21          HG1       ARG  21   8.140   2.640  -0.486
  135   1HD   ARG  21          HD2       ARG  21   7.682   5.030  -1.254
  136   2HD   ARG  21          HD1       ARG  21   8.703   5.523   0.096
  137    HE   ARG  21           HE       ARG  21   9.916   3.583  -1.664
  138   1HH1  ARG  21          HH11      ARG  21   9.415   7.014  -1.063
  139   2HH1  ARG  21          HH12      ARG  21  10.774   7.479  -2.011
  140   1HH2  ARG  21          HH21      ARG  21  11.679   4.233  -2.922
  141   2HH2  ARG  21          HH22      ARG  21  12.058   5.917  -3.070
  142    H    LYS  22           HN       LYS  22   5.586   3.612   3.611
  143    HA   LYS  22           HA       LYS  22   7.851   3.381   5.240
  144   1HB   LYS  22          HB2       LYS  22   6.144   4.991   5.741
  145   2HB   LYS  22          HB1       LYS  22   4.924   3.759   5.838
  146   1HG   LYS  22          HG2       LYS  22   5.388   4.464   8.027
  147   2HG   LYS  22          HG1       LYS  22   6.022   2.840   7.866
  148   1HD   LYS  22          HD2       LYS  22   7.592   4.223   9.070
  149   2HD   LYS  22          HD1       LYS  22   8.275   3.801   7.500
  150   1HE   LYS  22          HE2       LYS  22   7.750   5.976   6.626
  151   2HE   LYS  22          HE1       LYS  22   6.851   6.401   8.084
  152   1HZ   LYS  22          HZ1       LYS  22   9.040   7.383   8.071
  153   2HZ   LYS  22          HZ2       LYS  22   9.766   5.863   7.929
  154   3HZ   LYS  22          HZ3       LYS  22   8.911   6.267   9.335
  155    H    GLN  23           HN       GLN  23   4.941   1.359   5.011
  156    HA   GLN  23           HA       GLN  23   5.798  -0.418   7.092
  157   1HB   GLN  23          HB2       GLN  23   3.567  -0.535   5.066
  158   2HB   GLN  23          HB1       GLN  23   3.833  -1.810   6.249
  159   1HG   GLN  23          HG2       GLN  23   3.276   1.078   6.889
  160   2HG   GLN  23          HG1       GLN  23   2.098  -0.233   6.933
  161   1HE2  GLN  23          HE21      GLN  23   2.221  -1.777   8.589
  162   2HE2  GLN  23          HE22      GLN  23   3.166  -1.499  10.008
  163    H    THR  24           HN       THR  24   5.433  -0.880   3.559
  164    HA   THR  24           HA       THR  24   6.704  -3.479   3.824
  165    HB   THR  24           HB       THR  24   6.140  -3.770   1.460
  166    HG1  THR  24           HG1      THR  24   5.337  -2.130   0.244
  167   1HG2  THR  24          HG21      THR  24   3.870  -2.625   3.053
  168   2HG2  THR  24          HG22      THR  24   4.450  -4.291   3.112
  169   3HG2  THR  24          HG23      THR  24   3.722  -3.662   1.634
  170    H    GLY  25           HN       GLY  25   7.458  -0.369   2.284
  171   1HA   GLY  25          HA2       GLY  25   9.825   0.237   2.070
  172   2HA   GLY  25          HA1       GLY  25  10.158  -1.430   1.631
  173    H    CYS  26           HN       CYS  26   7.390  -1.222   0.176
  174    HA   CYS  26           HA       CYS  26   8.498  -0.019  -2.260
  175   1HB   CYS  26          HB2       CYS  26   6.626  -2.337  -1.890
  176   2HB   CYS  26          HB1       CYS  26   6.875  -1.565  -3.439
  177    HA   PRO  27           HA       PRO  27   5.163   2.864  -1.894
  178   1HB   PRO  27          HB2       PRO  27   5.504   4.216  -4.182
  179   2HB   PRO  27          HB1       PRO  27   6.726   4.227  -2.915
  180   1HG   PRO  27          HG2       PRO  27   6.658   2.636  -5.439
  181   2HG   PRO  27          HG1       PRO  27   8.014   3.503  -4.698
  182   1HD   PRO  27          HD2       PRO  27   7.572   0.789  -4.457
  183   2HD   PRO  27          HD1       PRO  27   8.518   1.769  -3.318
  184    H    ASN  28           HN       ASN  28   4.709   0.114  -3.435
  185    HA   ASN  28           HA       ASN  28   2.730   0.841  -5.390
  186   1HB   ASN  28          HB2       ASN  28   3.407  -1.847  -4.178
  187   2HB   ASN  28          HB1       ASN  28   2.341  -1.586  -5.557
  188   1HD2  ASN  28          HD21      ASN  28   4.827  -3.136  -5.345
  189   2HD2  ASN  28          HD22      ASN  28   5.873  -2.472  -6.548
  190    H    ALA  29           HN       ALA  29   1.004   1.870  -4.503
  191    HA   ALA  29           HA       ALA  29  -0.597   0.364  -2.538
  192   1HB   ALA  29          HB1       ALA  29   0.833   2.054  -1.385
  193   2HB   ALA  29          HB2       ALA  29  -0.897   2.260  -1.142
  194   3HB   ALA  29          HB3       ALA  29  -0.028   3.309  -2.254
  195    H    LYS  30           HN       LYS  30  -2.788   0.934  -2.474
  196    HA   LYS  30           HA       LYS  30  -3.835   2.903  -4.315
  197   1HB   LYS  30          HB2       LYS  30  -3.615   0.687  -5.608
  198   2HB   LYS  30          HB1       LYS  30  -4.901   0.079  -4.575
  199   1HG   LYS  30          HG2       LYS  30  -6.297   2.012  -5.376
  200   2HG   LYS  30          HG1       LYS  30  -5.000   2.403  -6.491
  201   1HD   LYS  30          HD2       LYS  30  -6.457   1.155  -7.785
  202   2HD   LYS  30          HD1       LYS  30  -5.238  -0.028  -7.315
  203   1HE   LYS  30          HE2       LYS  30  -7.396  -1.024  -7.074
  204   2HE   LYS  30          HE1       LYS  30  -6.754  -0.738  -5.458
  205   1HZ   LYS  30          HZ1       LYS  30  -8.177   1.111  -5.176
  206   2HZ   LYS  30          HZ2       LYS  30  -9.138  -0.121  -5.812
  207   3HZ   LYS  30          HZ3       LYS  30  -8.622   1.142  -6.810
  208    H    CYS  31           HN       CYS  31  -6.113   3.347  -3.835
  209    HA   CYS  31           HA       CYS  31  -6.637   2.722  -1.023
  210   1HB   CYS  31          HB2       CYS  31  -8.058   4.569  -0.988
  211   2HB   CYS  31          HB1       CYS  31  -6.639   5.082  -1.886
  212    H    ILE  32           HN       ILE  32  -8.545   1.913  -0.274
  213    HA   ILE  32           HA       ILE  32 -10.551   0.997  -2.235
  214    HB   ILE  32           HB       ILE  32 -11.107  -0.893  -0.734
  215   1HG1  ILE  32          HG12      ILE  32  -8.507  -0.222   0.676
  216   2HG1  ILE  32          HG11      ILE  32 -10.107   0.046   1.349
  217   1HG2  ILE  32          HG21      ILE  32  -9.681  -1.220  -2.706
  218   2HG2  ILE  32          HG22      ILE  32  -9.305  -2.357  -1.417
  219   3HG2  ILE  32          HG23      ILE  32  -8.252  -0.971  -1.703
  220   1HD1  ILE  32          HD11      ILE  32  -8.828  -2.589   0.717
  221   2HD1  ILE  32          HD12      ILE  32 -10.519  -2.398   1.183
  222   3HD1  ILE  32          HD13      ILE  32  -9.237  -1.932   2.300
  223    H    ASN  33           HN       ASN  33 -12.699   0.798  -1.164
  224    HA   ASN  33           HA       ASN  33 -13.295   3.314  -0.051
  225   1HB   ASN  33          HB2       ASN  33 -15.638   2.534   0.006
  226   2HB   ASN  33          HB1       ASN  33 -14.847   2.230  -1.532
  227   1HD2  ASN  33          HD21      ASN  33 -17.196   0.973  -0.314
  228   2HD2  ASN  33          HD22      ASN  33 -16.836  -0.716  -0.267
  229    H    LYS  34           HN       LYS  34 -11.725   2.817   1.782
  230    HA   LYS  34           HA       LYS  34 -13.004   3.137   4.160
  231   1HB   LYS  34          HB2       LYS  34 -13.606   0.757   4.137
  232   2HB   LYS  34          HB1       LYS  34 -11.917   0.319   3.906
  233   1HG   LYS  34          HG2       LYS  34 -11.500   1.541   6.132
  234   2HG   LYS  34          HG1       LYS  34 -13.249   1.514   6.317
  235   1HD   LYS  34          HD2       LYS  34 -13.277  -0.869   6.332
  236   2HD   LYS  34          HD1       LYS  34 -11.574  -0.951   5.865
  237   1HE   LYS  34          HE2       LYS  34 -10.979   0.194   7.980
  238   2HE   LYS  34          HE1       LYS  34 -12.679   0.148   8.448
  239   1HZ   LYS  34          HZ1       LYS  34 -10.959  -2.215   7.930
  240   2HZ   LYS  34          HZ2       LYS  34 -12.590  -2.263   8.384
  241   3HZ   LYS  34          HZ3       LYS  34 -11.433  -1.643   9.449
  242    H    SER  35           HN       SER  35 -10.134   1.776   2.598
  243    HA   SER  35           HA       SER  35  -8.368   3.509   4.121
  244   1HB   SER  35          HB2       SER  35  -7.115   1.511   5.039
  245   2HB   SER  35          HB1       SER  35  -8.716   1.753   5.729
  246    HG   SER  35           HG       SER  35  -9.490   0.058   4.575
  247    H    CYS  36           HN       CYS  36  -5.991   2.674   3.670
  248    HA   CYS  36           HA       CYS  36  -5.748   2.391   0.762
  249   1HB   CYS  36          HB2       CYS  36  -3.626   2.904   2.846
  250   2HB   CYS  36          HB1       CYS  36  -3.437   2.964   1.106
  251    H    LYS  37           HN       LYS  37  -4.931   0.573  -0.199
  252    HA   LYS  37           HA       LYS  37  -4.041  -1.599   1.600
  253   1HB   LYS  37          HB2       LYS  37  -4.735  -3.183  -0.011
  254   2HB   LYS  37          HB1       LYS  37  -6.097  -2.145   0.344
  255   1HG   LYS  37          HG2       LYS  37  -5.922  -1.004  -1.715
  256   2HG   LYS  37          HG1       LYS  37  -4.365  -1.732  -2.089
  257   1HD   LYS  37          HD2       LYS  37  -6.996  -3.185  -1.888
  258   2HD   LYS  37          HD1       LYS  37  -6.132  -2.780  -3.373
  259   1HE   LYS  37          HE2       LYS  37  -4.228  -4.167  -2.598
  260   2HE   LYS  37          HE1       LYS  37  -5.175  -4.634  -1.188
  261   1HZ   LYS  37          HZ1       LYS  37  -5.910  -5.183  -4.001
  262   2HZ   LYS  37          HZ2       LYS  37  -6.814  -5.623  -2.637
  263   3HZ   LYS  37          HZ3       LYS  37  -5.286  -6.299  -2.893
  264    H    CYS  38           HN       CYS  38  -2.157  -2.635   1.135
  265    HA   CYS  38           HA       CYS  38  -0.383  -1.239  -0.768
  266   1HB   CYS  38          HB2       CYS  38   0.384  -3.112   1.484
  267   2HB   CYS  38          HB1       CYS  38   1.426  -2.009   0.587
  268    H    TYR  39           HN       TYR  39   0.781  -2.391  -2.287
  269    HA   TYR  39           HA       TYR  39  -0.413  -4.891  -3.146
  270   1HB   TYR  39          HB2       TYR  39   1.919  -3.322  -4.238
  271   2HB   TYR  39          HB1       TYR  39   1.254  -4.749  -4.998
  272    HD1  TYR  39           HD1      TYR  39   0.790  -3.624  -7.071
  273    HD2  TYR  39           HD2      TYR  39  -0.933  -2.177  -3.457
  274    HE1  TYR  39           HE1      TYR  39  -0.746  -2.201  -8.352
  275    HE2  TYR  39           HE2      TYR  39  -2.446  -0.783  -4.711
  276    HH   TYR  39           HH       TYR  39  -2.164   0.276  -7.434
  277    H    GLY  40           HN       GLY  40   2.226  -3.915  -1.196
  278   1HA   GLY  40          HA2       GLY  40   3.266  -5.557   0.197
  279   2HA   GLY  40          HA1       GLY  40   3.266  -6.680  -1.153
  280    H    CYS  41           HN       CYS  41   5.569  -6.844  -0.638
  281    HA   CYS  41           HA       CYS  41   7.136  -5.289  -2.426
  282   1HB   CYS  41          HB2       CYS  41   6.872  -3.665  -0.504
  283   2HB   CYS  41          HB1       CYS  41   7.721  -4.807   0.511
  Start of MODEL   20
    1   1H    TRP   1           HT1      TRP   1   3.860   3.875  15.634
    2   2H    TRP   1           HT2      TRP   1   2.532   4.483  14.728
    3   3H    TRP   1           HT3      TRP   1   3.699   5.560  15.387
    4    HA   TRP   1           HA       TRP   1   5.387   4.655  14.004
    5   1HB   TRP   1          HB2       TRP   1   4.331   2.384  13.887
    6   2HB   TRP   1          HB1       TRP   1   3.159   2.992  12.750
    7    HD1  TRP   1           HD1      TRP   1   4.281   3.914  10.325
    8    HE1  TRP   1           HE1      TRP   1   6.262   2.920   9.022
    9    HE3  TRP   1           HE3      TRP   1   6.446   1.210  14.081
   10    HZ2  TRP   1           HZ2      TRP   1   8.455   1.216   9.518
   11    HZ3  TRP   1           HZ3      TRP   1   8.483  -0.076  13.584
   12    HH2  TRP   1           HH2      TRP   1   9.465  -0.073  11.349
   13    H    CYS   2           HN       CYS   2   2.424   4.477  12.118
   14    HA   CYS   2           HA       CYS   2   3.079   6.997  10.796
   15   1HB   CYS   2          HB2       CYS   2   1.228   6.291   9.264
   16   2HB   CYS   2          HB1       CYS   2   2.645   5.258   9.255
   17    H    SER   3           HN       SER   3   2.031   8.814  11.354
   18    HA   SER   3           HA       SER   3  -0.143   8.736  13.277
   19   1HB   SER   3          HB2       SER   3   0.852  11.153  11.749
   20   2HB   SER   3          HB1       SER   3   0.043  11.103  13.319
   21    HG   SER   3           HG       SER   3   1.876  10.334  14.245
   22    H    THR   4           HN       THR   4   0.329   9.262   9.845
   23    HA   THR   4           HA       THR   4  -2.552   8.943   9.435
   24    HB   THR   4           HB       THR   4  -0.865  11.018   7.996
   25    HG1  THR   4           HG1      THR   4  -1.905  12.499   9.229
   26   1HG2  THR   4          HG21      THR   4  -2.465  11.135   6.466
   27   2HG2  THR   4          HG22      THR   4  -3.712  11.285   7.697
   28   3HG2  THR   4          HG23      THR   4  -3.214   9.694   7.143
   29    H    CYS   5           HN       CYS   5  -2.495   6.934   8.555
   30    HA   CYS   5           HA       CYS   5  -0.885   6.580   6.109
   31   1HB   CYS   5          HB2       CYS   5  -0.317   4.247   6.945
   32   2HB   CYS   5          HB1       CYS   5   0.514   5.585   7.690
   33    H    LEU   6           HN       LEU   6  -3.167   4.766   8.153
   34    HA   LEU   6           HA       LEU   6  -4.466   3.730   5.772
   35   1HB   LEU   6          HB2       LEU   6  -5.650   2.258   7.153
   36   2HB   LEU   6          HB1       LEU   6  -3.999   2.248   7.736
   37    HG   LEU   6           HG       LEU   6  -6.234   3.804   9.063
   38   1HD1  LEU   6          HD11      LEU   6  -6.694   1.412   9.123
   39   2HD1  LEU   6          HD12      LEU   6  -6.278   2.033  10.718
   40   3HD1  LEU   6          HD13      LEU   6  -5.088   1.116   9.792
   41   1HD2  LEU   6          HD21      LEU   6  -4.609   3.705  11.002
   42   2HD2  LEU   6          HD22      LEU   6  -4.156   4.761   9.680
   43   3HD2  LEU   6          HD23      LEU   6  -3.395   3.175   9.844
   44    H    ASP   7           HN       ASP   7  -4.489   6.525   7.310
   45    HA   ASP   7           HA       ASP   7  -7.327   6.956   7.624
   46   1HB   ASP   7          HB2       ASP   7  -5.129   9.025   7.811
   47   2HB   ASP   7          HB1       ASP   7  -6.722   9.045   8.560
   48    H    LEU   8           HN       LEU   8  -5.265   6.844   5.066
   49    HA   LEU   8           HA       LEU   8  -6.230   9.170   3.663
   50   1HB   LEU   8          HB2       LEU   8  -4.299   6.963   2.964
   51   2HB   LEU   8          HB1       LEU   8  -4.801   8.157   1.787
   52    HG   LEU   8           HG       LEU   8  -2.742   8.919   2.534
   53   1HD1  LEU   8          HD11      LEU   8  -3.202  11.017   3.605
   54   2HD1  LEU   8          HD12      LEU   8  -4.762  10.449   4.176
   55   3HD1  LEU   8          HD13      LEU   8  -4.467  10.659   2.461
   56   1HD2  LEU   8          HD21      LEU   8  -3.658   8.450   5.368
   57   2HD2  LEU   8          HD22      LEU   8  -2.137   9.195   4.892
   58   3HD2  LEU   8          HD23      LEU   8  -2.461   7.524   4.473
   59    H    ALA   9           HN       ALA   9  -8.416   7.857   4.203
   60    HA   ALA   9           HA       ALA   9  -9.225   5.749   2.648
   61   1HB   ALA   9          HB1       ALA   9 -10.490   6.595   4.555
   62   2HB   ALA   9          HB2       ALA   9 -11.512   6.434   3.128
   63   3HB   ALA   9          HB3       ALA   9 -10.930   8.026   3.624
   64    H    CYS  10           HN       CYS  10  -8.282   6.082   0.585
   65    HA   CYS  10           HA       CYS  10  -8.132   6.765  -1.523
   66   1HB   CYS  10          HB2       CYS  10 -11.094   7.057  -1.055
   67   2HB   CYS  10          HB1       CYS  10 -10.390   7.440  -2.625
   68    H    THR  11           HN       THR  11  -7.110   8.497   0.134
   69    HA   THR  11           HA       THR  11  -8.000  11.176  -0.654
   70    HB   THR  11           HB       THR  11  -5.528  10.418   0.933
   71    HG1  THR  11           HG1      THR  11  -6.912  10.892   2.780
   72   1HG2  THR  11          HG21      THR  11  -7.111  12.980   0.662
   73   2HG2  THR  11          HG22      THR  11  -5.450  12.690   0.145
   74   3HG2  THR  11          HG23      THR  11  -5.845  12.715   1.860
   75    H    GLY  12           HN       GLY  12  -6.056   8.644  -1.751
   76   1HA   GLY  12          HA2       GLY  12  -5.372   9.328  -4.142
   77   2HA   GLY  12          HA1       GLY  12  -4.257  10.378  -3.280
   78    H    SER  13           HN       SER  13  -4.348   7.582  -4.862
   79    HA   SER  13           HA       SER  13  -3.044   5.698  -3.245
   80   1HB   SER  13          HB2       SER  13  -2.378   6.094  -6.171
   81   2HB   SER  13          HB1       SER  13  -2.480   4.597  -5.255
   82    HG   SER  13           HG       SER  13  -4.482   6.070  -6.464
   83    H    LYS  14           HN       LYS  14  -1.792   8.296  -5.299
   84    HA   LYS  14           HA       LYS  14   0.916   7.859  -4.854
   85   1HB   LYS  14          HB2       LYS  14   1.278  10.109  -5.732
   86   2HB   LYS  14          HB1       LYS  14   0.131   9.187  -6.689
   87   1HG   LYS  14          HG2       LYS  14  -1.728  10.382  -5.593
   88   2HG   LYS  14          HG1       LYS  14  -0.557  11.310  -4.660
   89   1HD   LYS  14          HD2       LYS  14  -1.334  12.601  -6.558
   90   2HD   LYS  14          HD1       LYS  14   0.379  12.217  -6.742
   91   1HE   LYS  14          HE2       LYS  14  -0.231  10.355  -8.250
   92   2HE   LYS  14          HE1       LYS  14  -1.928  10.794  -8.073
   93   1HZ   LYS  14          HZ1       LYS  14  -1.423  12.934  -9.073
   94   2HZ   LYS  14          HZ2       LYS  14  -0.971  11.667 -10.098
   95   3HZ   LYS  14          HZ3       LYS  14   0.210  12.504  -9.224
   96    H    ASP  15           HN       ASP  15  -1.457   9.424  -2.893
   97    HA   ASP  15           HA       ASP  15   0.421  10.844  -1.260
   98   1HB   ASP  15          HB2       ASP  15  -2.076  11.386  -1.557
   99   2HB   ASP  15          HB1       ASP  15  -2.394  10.067  -0.434
  100    H    CYS  16           HN       CYS  16  -1.395   7.815  -1.036
  101    HA   CYS  16           HA       CYS  16  -0.334   7.221   1.569
  102   1HB   CYS  16          HB2       CYS  16  -2.612   6.573   0.870
  103   2HB   CYS  16          HB1       CYS  16  -1.919   5.458  -0.303
  104    H    TYR  17           HN       TYR  17   0.949   6.889  -1.547
  105    HA   TYR  17           HA       TYR  17   2.351   4.517  -1.574
  106   1HB   TYR  17          HB2       TYR  17   3.128   7.309  -2.400
  107   2HB   TYR  17          HB1       TYR  17   4.269   5.983  -2.577
  108    HD1  TYR  17           HD1      TYR  17   3.582   7.518  -4.881
  109    HD2  TYR  17           HD2      TYR  17   1.516   4.181  -3.217
  110    HE1  TYR  17           HE1      TYR  17   2.652   6.987  -7.086
  111    HE2  TYR  17           HE2      TYR  17   0.586   3.655  -5.406
  112    HH   TYR  17           HH       TYR  17   0.222   5.492  -7.746
  113    H    ALA  18           HN       ALA  18   3.383   7.519   0.026
  114    HA   ALA  18           HA       ALA  18   5.778   6.468   1.015
  115   1HB   ALA  18          HB1       ALA  18   5.280   8.455   2.793
  116   2HB   ALA  18          HB2       ALA  18   4.204   8.906   1.471
  117   3HB   ALA  18          HB3       ALA  18   5.920   8.680   1.170
  118    HA   PRO  19           HA       PRO  19   3.531   5.772   5.363
  119   1HB   PRO  19          HB2       PRO  19   0.768   5.320   4.296
  120   2HB   PRO  19          HB1       PRO  19   1.308   6.036   5.813
  121   1HG   PRO  19          HG2       PRO  19   0.403   7.566   3.854
  122   2HG   PRO  19          HG1       PRO  19   1.771   8.082   4.859
  123   1HD   PRO  19          HD2       PRO  19   1.778   7.025   2.090
  124   2HD   PRO  19          HD1       PRO  19   2.771   8.257   2.821
  125    H    CYS  20           HN       CYS  20   2.010   4.210   2.532
  126    HA   CYS  20           HA       CYS  20   1.895   1.617   3.633
  127   1HB   CYS  20          HB2       CYS  20   0.588   2.123   1.682
  128   2HB   CYS  20          HB1       CYS  20   2.024   2.557   0.764
  129    H    ARG  21           HN       ARG  21   4.326   3.197   1.585
  130    HA   ARG  21           HA       ARG  21   6.036   0.969   1.351
  131   1HB   ARG  21          HB2       ARG  21   6.020   3.074  -0.050
  132   2HB   ARG  21          HB1       ARG  21   6.870   3.877   1.265
  133   1HG   ARG  21          HG2       ARG  21   8.705   2.257   1.027
  134   2HG   ARG  21          HG1       ARG  21   7.839   1.491  -0.308
  135   1HD   ARG  21          HD2       ARG  21   7.856   3.681  -1.491
  136   2HD   ARG  21          HD1       ARG  21   8.855   4.310  -0.189
  137    HE   ARG  21           HE       ARG  21   9.687   2.029  -1.885
  138   1HH1  ARG  21          HH11      ARG  21  10.403   5.126  -0.368
  139   2HH1  ARG  21          HH12      ARG  21  11.984   5.202  -1.032
  140   1HH2  ARG  21          HH21      ARG  21  11.788   2.165  -2.748
  141   2HH2  ARG  21          HH22      ARG  21  12.782   3.535  -2.378
  142    H    LYS  22           HN       LYS  22   5.912   3.619   3.700
  143    HA   LYS  22           HA       LYS  22   8.334   2.998   5.010
  144   1HB   LYS  22          HB2       LYS  22   6.945   5.133   5.191
  145   2HB   LYS  22          HB1       LYS  22   5.918   4.265   6.327
  146   1HG   LYS  22          HG2       LYS  22   7.901   3.877   7.758
  147   2HG   LYS  22          HG1       LYS  22   8.869   4.823   6.622
  148   1HD   LYS  22          HD2       LYS  22   7.224   6.723   7.026
  149   2HD   LYS  22          HD1       LYS  22   6.586   5.753   8.357
  150   1HE   LYS  22          HE2       LYS  22   9.422   6.741   8.059
  151   2HE   LYS  22          HE1       LYS  22   8.204   7.384   9.157
  152   1HZ   LYS  22          HZ1       LYS  22   9.634   5.950  10.371
  153   2HZ   LYS  22          HZ2       LYS  22   9.454   4.694   9.258
  154   3HZ   LYS  22          HZ3       LYS  22   8.146   5.159  10.228
  155    H    GLN  23           HN       GLN  23   4.997   1.887   5.501
  156    HA   GLN  23           HA       GLN  23   5.667   0.391   7.873
  157   1HB   GLN  23          HB2       GLN  23   3.218   0.350   6.108
  158   2HB   GLN  23          HB1       GLN  23   3.378  -0.565   7.605
  159   1HG   GLN  23          HG2       GLN  23   3.717   1.584   8.805
  160   2HG   GLN  23          HG1       GLN  23   3.364   2.431   7.305
  161   1HE2  GLN  23          HE21      GLN  23   1.248   2.310   6.438
  162   2HE2  GLN  23          HE22      GLN  23  -0.085   1.852   7.437
  163    H    THR  24           HN       THR  24   4.709  -0.590   4.559
  164    HA   THR  24           HA       THR  24   5.448  -3.332   5.215
  165    HB   THR  24           HB       THR  24   4.439  -3.912   3.041
  166    HG1  THR  24           HG1      THR  24   3.712  -2.346   1.666
  167   1HG2  THR  24          HG21      THR  24   2.740  -2.015   4.664
  168   2HG2  THR  24          HG22      THR  24   2.987  -3.731   4.996
  169   3HG2  THR  24          HG23      THR  24   2.148  -3.228   3.529
  170    H    GLY  25           HN       GLY  25   6.492  -0.803   2.956
  171   1HA   GLY  25          HA2       GLY  25   8.864  -0.784   2.310
  172   2HA   GLY  25          HA1       GLY  25   8.787  -2.532   2.200
  173    H    CYS  26           HN       CYS  26   5.910  -2.017   1.114
  174    HA   CYS  26           HA       CYS  26   6.747  -2.073  -1.640
  175   1HB   CYS  26          HB2       CYS  26   5.040  -3.647  -0.728
  176   2HB   CYS  26          HB1       CYS  26   3.980  -2.303  -0.486
  177    HA   PRO  27           HA       PRO  27   5.582   2.251  -2.154
  178   1HB   PRO  27          HB2       PRO  27   6.567   2.596  -4.613
  179   2HB   PRO  27          HB1       PRO  27   7.633   2.328  -3.231
  180   1HG   PRO  27          HG2       PRO  27   6.752   0.392  -5.330
  181   2HG   PRO  27          HG1       PRO  27   8.358   0.617  -4.614
  182   1HD   PRO  27          HD2       PRO  27   6.536  -1.329  -3.851
  183   2HD   PRO  27          HD1       PRO  27   7.883  -0.741  -2.855
  184    H    ASN  28           HN       ASN  28   3.935  -0.325  -3.262
  185    HA   ASN  28           HA       ASN  28   2.252   1.235  -5.072
  186   1HB   ASN  28          HB2       ASN  28   2.773  -1.739  -5.034
  187   2HB   ASN  28          HB1       ASN  28   1.521  -0.978  -5.994
  188   1HD2  ASN  28          HD21      ASN  28   3.243   1.405  -6.553
  189   2HD2  ASN  28          HD22      ASN  28   4.366   0.836  -7.711
  190    H    ALA  29           HN       ALA  29   0.543   1.941  -4.081
  191    HA   ALA  29           HA       ALA  29  -0.982   0.072  -2.381
  192   1HB   ALA  29          HB1       ALA  29  -1.094   1.475  -0.635
  193   2HB   ALA  29          HB2       ALA  29  -0.980   2.943  -1.608
  194   3HB   ALA  29          HB3       ALA  29   0.467   2.005  -1.240
  195    H    LYS  30           HN       LYS  30  -3.129   0.098  -2.717
  196    HA   LYS  30           HA       LYS  30  -4.293   2.231  -4.397
  197   1HB   LYS  30          HB2       LYS  30  -3.678   0.109  -5.682
  198   2HB   LYS  30          HB1       LYS  30  -4.908  -0.723  -4.748
  199   1HG   LYS  30          HG2       LYS  30  -5.509   1.731  -6.391
  200   2HG   LYS  30          HG1       LYS  30  -5.509   0.106  -7.078
  201   1HD   LYS  30          HD2       LYS  30  -7.206  -0.563  -5.403
  202   2HD   LYS  30          HD1       LYS  30  -7.254   1.091  -4.824
  203   1HE   LYS  30          HE2       LYS  30  -7.907   0.239  -7.624
  204   2HE   LYS  30          HE1       LYS  30  -9.082   0.593  -6.360
  205   1HZ   LYS  30          HZ1       LYS  30  -8.131   2.860  -6.243
  206   2HZ   LYS  30          HZ2       LYS  30  -8.843   2.497  -7.731
  207   3HZ   LYS  30          HZ3       LYS  30  -7.162   2.491  -7.582
  208    H    CYS  31           HN       CYS  31  -6.152   2.996  -3.547
  209    HA   CYS  31           HA       CYS  31  -6.958   1.876  -1.027
  210   1HB   CYS  31          HB2       CYS  31  -8.244   3.853  -0.699
  211   2HB   CYS  31          HB1       CYS  31  -6.689   4.307  -1.374
  212    H    ILE  32           HN       ILE  32  -8.487   0.426  -0.744
  213    HA   ILE  32           HA       ILE  32 -10.859   0.453  -2.495
  214    HB   ILE  32           HB       ILE  32 -10.967  -2.015  -2.381
  215   1HG1  ILE  32          HG12      ILE  32  -8.118  -1.892  -1.384
  216   2HG1  ILE  32          HG11      ILE  32  -9.479  -2.232  -0.338
  217   1HG2  ILE  32          HG21      ILE  32  -8.437  -0.990  -3.657
  218   2HG2  ILE  32          HG22      ILE  32 -10.053  -0.913  -4.358
  219   3HG2  ILE  32          HG23      ILE  32  -9.289  -2.476  -4.079
  220   1HD1  ILE  32          HD11      ILE  32  -8.207  -3.925  -2.374
  221   2HD1  ILE  32          HD12      ILE  32  -9.945  -4.109  -2.123
  222   3HD1  ILE  32          HD13      ILE  32  -8.831  -4.325  -0.778
  223    H    ASN  33           HN       ASN  33 -12.759   0.126  -1.431
  224    HA   ASN  33           HA       ASN  33 -14.181   0.331   0.323
  225   1HB   ASN  33          HB2       ASN  33 -12.353  -1.801   1.463
  226   2HB   ASN  33          HB1       ASN  33 -13.933  -1.387   2.123
  227   1HD2  ASN  33          HD21      ASN  33 -15.795  -2.028   1.017
  228   2HD2  ASN  33          HD22      ASN  33 -15.732  -3.179  -0.269
  229    H    LYS  34           HN       LYS  34 -12.495   2.375   0.279
  230    HA   LYS  34           HA       LYS  34 -11.772   4.139   1.476
  231   1HB   LYS  34          HB2       LYS  34 -12.420   2.595   3.983
  232   2HB   LYS  34          HB1       LYS  34 -12.099   4.316   3.864
  233   1HG   LYS  34          HG2       LYS  34 -14.141   4.499   2.412
  234   2HG   LYS  34          HG1       LYS  34 -14.491   2.817   2.822
  235   1HD   LYS  34          HD2       LYS  34 -14.284   5.154   4.716
  236   2HD   LYS  34          HD1       LYS  34 -15.739   4.251   4.295
  237   1HE   LYS  34          HE2       LYS  34 -13.345   3.128   5.774
  238   2HE   LYS  34          HE1       LYS  34 -14.862   3.630   6.490
  239   1HZ   LYS  34          HZ1       LYS  34 -14.525   1.421   4.545
  240   2HZ   LYS  34          HZ2       LYS  34 -16.006   1.944   5.177
  241   3HZ   LYS  34          HZ3       LYS  34 -14.840   1.272   6.199
  242    H    SER  35           HN       SER  35 -10.587   0.966   2.310
  243    HA   SER  35           HA       SER  35  -8.394   1.889   3.830
  244   1HB   SER  35          HB2       SER  35  -9.512  -0.257   4.239
  245   2HB   SER  35          HB1       SER  35  -8.962  -0.851   2.674
  246    HG   SER  35           HG       SER  35  -7.635  -1.455   4.515
  247    H    CYS  36           HN       CYS  36  -6.470   2.533   3.131
  248    HA   CYS  36           HA       CYS  36  -5.560   2.329   0.419
  249   1HB   CYS  36          HB2       CYS  36  -4.722   4.088   1.862
  250   2HB   CYS  36          HB1       CYS  36  -4.100   2.901   3.003
  251    H    LYS  37           HN       LYS  37  -5.465   0.248  -0.318
  252    HA   LYS  37           HA       LYS  37  -4.391  -1.836   1.424
  253   1HB   LYS  37          HB2       LYS  37  -6.415  -1.730  -0.482
  254   2HB   LYS  37          HB1       LYS  37  -5.185  -2.686  -1.261
  255   1HG   LYS  37          HG2       LYS  37  -6.263  -3.212   1.510
  256   2HG   LYS  37          HG1       LYS  37  -6.896  -3.956   0.048
  257   1HD   LYS  37          HD2       LYS  37  -4.025  -4.177   0.956
  258   2HD   LYS  37          HD1       LYS  37  -5.277  -5.372   1.300
  259   1HE   LYS  37          HE2       LYS  37  -5.618  -5.715  -1.099
  260   2HE   LYS  37          HE1       LYS  37  -4.369  -4.525  -1.454
  261   1HZ   LYS  37          HZ1       LYS  37  -3.470  -6.715  -1.616
  262   2HZ   LYS  37          HZ2       LYS  37  -3.979  -7.105  -0.052
  263   3HZ   LYS  37          HZ3       LYS  37  -2.771  -5.943  -0.284
  264    H    CYS  38           HN       CYS  38  -2.389  -2.525   1.303
  265    HA   CYS  38           HA       CYS  38  -0.654  -1.642  -0.880
  266   1HB   CYS  38          HB2       CYS  38  -0.056  -3.153   1.677
  267   2HB   CYS  38          HB1       CYS  38   1.150  -2.585   0.527
  268    H    TYR  39           HN       TYR  39   0.395  -3.074  -2.268
  269    HA   TYR  39           HA       TYR  39  -1.102  -5.479  -2.778
  270   1HB   TYR  39          HB2       TYR  39   1.232  -4.168  -4.161
  271   2HB   TYR  39          HB1       TYR  39   0.582  -5.716  -4.693
  272    HD1  TYR  39           HD1      TYR  39  -1.747  -5.865  -5.534
  273    HD2  TYR  39           HD2      TYR  39   0.069  -2.123  -4.657
  274    HE1  TYR  39           HE1      TYR  39  -3.479  -4.721  -6.842
  275    HE2  TYR  39           HE2      TYR  39  -1.661  -0.964  -5.955
  276    HH   TYR  39           HH       TYR  39  -3.398  -2.118  -8.136
  277    H    GLY  40           HN       GLY  40   1.268  -4.963  -0.585
  278   1HA   GLY  40          HA2       GLY  40   2.480  -6.375   0.684
  279   2HA   GLY  40          HA1       GLY  40   1.705  -7.711  -0.155
  280    H    CYS  41           HN       CYS  41   4.484  -5.620  -0.039
  281    HA   CYS  41           HA       CYS  41   5.770  -7.276  -2.135
  282   1HB   CYS  41          HB2       CYS  41   6.303  -4.340  -1.750
  283   2HB   CYS  41          HB1       CYS  41   6.781  -5.372  -3.053
  Start of MODEL   21
    1   1H    TRP   1           HT1      TRP   1   6.558   0.099  11.986
    2   2H    TRP   1           HT2      TRP   1   6.488   1.391  10.855
    3   3H    TRP   1           HT3      TRP   1   6.695  -0.212  10.305
    4    HA   TRP   1           HA       TRP   1   4.503   0.410   9.901
    5   1HB   TRP   1          HB2       TRP   1   4.593  -1.341  12.376
    6   2HB   TRP   1          HB1       TRP   1   3.303  -1.290  11.178
    7    HD1  TRP   1           HD1      TRP   1   4.164  -2.056   8.573
    8    HE1  TRP   1           HE1      TRP   1   5.720  -4.012   7.967
    9    HE3  TRP   1           HE3      TRP   1   6.413  -2.756  13.114
   10    HZ2  TRP   1           HZ2      TRP   1   7.634  -5.641   9.235
   11    HZ3  TRP   1           HZ3      TRP   1   8.095  -4.538  13.332
   12    HH2  TRP   1           HH2      TRP   1   8.689  -5.953  11.433
   13    H    CYS   2           HN       CYS   2   3.156   2.055  10.269
   14    HA   CYS   2           HA       CYS   2   3.160   3.407  12.847
   15   1HB   CYS   2          HB2       CYS   2   3.371   4.741  10.817
   16   2HB   CYS   2          HB1       CYS   2   1.842   4.126  10.236
   17    H    SER   3           HN       SER   3   1.758   2.766  14.348
   18    HA   SER   3           HA       SER   3  -0.461   1.064  13.701
   19   1HB   SER   3          HB2       SER   3  -0.851   1.228  16.221
   20   2HB   SER   3          HB1       SER   3   0.698   0.570  15.694
   21    HG   SER   3           HG       SER   3   1.703   2.262  16.497
   22    H    THR   4           HN       THR   4  -0.135   4.405  13.693
   23    HA   THR   4           HA       THR   4  -3.027   4.775  14.065
   24    HB   THR   4           HB       THR   4  -2.215   7.259  14.471
   25    HG1  THR   4           HG1      THR   4  -0.147   7.438  15.165
   26   1HG2  THR   4          HG21      THR   4  -3.367   5.891  16.131
   27   2HG2  THR   4          HG22      THR   4  -2.064   6.833  16.855
   28   3HG2  THR   4          HG23      THR   4  -1.841   5.110  16.553
   29    H    CYS   5           HN       CYS   5  -1.310   4.100  11.635
   30    HA   CYS   5           HA       CYS   5  -2.209   6.365   9.960
   31   1HB   CYS   5          HB2       CYS   5   0.227   4.638   9.584
   32   2HB   CYS   5          HB1       CYS   5  -0.305   5.901   8.498
   33    H    LEU   6           HN       LEU   6  -4.008   4.398  10.432
   34    HA   LEU   6           HA       LEU   6  -3.921   2.762   7.964
   35   1HB   LEU   6          HB2       LEU   6  -5.378   2.304  10.570
   36   2HB   LEU   6          HB1       LEU   6  -5.705   1.390   9.113
   37    HG   LEU   6           HG       LEU   6  -4.328   0.014  10.412
   38   1HD1  LEU   6          HD11      LEU   6  -3.718   0.204   8.004
   39   2HD1  LEU   6          HD12      LEU   6  -2.410  -0.337   9.052
   40   3HD1  LEU   6          HD13      LEU   6  -2.433   1.323   8.467
   41   1HD2  LEU   6          HD21      LEU   6  -2.291   2.214  10.727
   42   2HD2  LEU   6          HD22      LEU   6  -2.321   0.637  11.501
   43   3HD2  LEU   6          HD23      LEU   6  -3.524   1.847  11.933
   44    H    ASP   7           HN       ASP   7  -5.200   5.545   9.197
   45    HA   ASP   7           HA       ASP   7  -7.842   5.177   7.987
   46   1HB   ASP   7          HB2       ASP   7  -6.715   7.310   9.806
   47   2HB   ASP   7          HB1       ASP   7  -8.343   7.351   9.133
   48    H    LEU   8           HN       LEU   8  -6.225   5.208   5.943
   49    HA   LEU   8           HA       LEU   8  -6.229   7.987   4.920
   50   1HB   LEU   8          HB2       LEU   8  -4.645   5.570   4.049
   51   2HB   LEU   8          HB1       LEU   8  -4.751   7.046   3.109
   52    HG   LEU   8           HG       LEU   8  -3.808   8.246   5.172
   53   1HD1  LEU   8          HD11      LEU   8  -3.185   5.388   5.901
   54   2HD1  LEU   8          HD12      LEU   8  -4.078   6.574   6.850
   55   3HD1  LEU   8          HD13      LEU   8  -2.356   6.786   6.585
   56   1HD2  LEU   8          HD21      LEU   8  -2.069   6.273   3.693
   57   2HD2  LEU   8          HD22      LEU   8  -1.528   7.737   4.518
   58   3HD2  LEU   8          HD23      LEU   8  -2.563   7.859   3.099
   59    H    ALA   9           HN       ALA   9  -8.639   6.836   5.108
   60    HA   ALA   9           HA       ALA   9  -9.540   5.124   3.178
   61   1HB   ALA   9          HB1       ALA   9 -11.778   6.015   3.633
   62   2HB   ALA   9          HB2       ALA   9 -11.054   7.414   4.426
   63   3HB   ALA   9          HB3       ALA   9 -10.849   5.805   5.116
   64    H    CYS  10           HN       CYS  10  -8.451   5.644   1.229
   65    HA   CYS  10           HA       CYS  10  -8.161   6.546  -0.781
   66   1HB   CYS  10          HB2       CYS  10 -11.069   7.198  -0.337
   67   2HB   CYS  10          HB1       CYS  10 -10.257   7.689  -1.819
   68    H    THR  11           HN       THR  11  -6.935   7.905   1.046
   69    HA   THR  11           HA       THR  11  -7.451  10.759   0.730
   70    HB   THR  11           HB       THR  11  -4.915   9.443   1.791
   71    HG1  THR  11           HG1      THR  11  -7.296  10.113   3.246
   72   1HG2  THR  11          HG21      THR  11  -5.712  11.843   3.129
   73   2HG2  THR  11          HG22      THR  11  -5.673  12.156   1.396
   74   3HG2  THR  11          HG23      THR  11  -4.248  11.518   2.210
   75    H    GLY  12           HN       GLY  12  -6.174   8.223  -1.057
   76   1HA   GLY  12          HA2       GLY  12  -5.776   8.874  -3.380
   77   2HA   GLY  12          HA1       GLY  12  -4.600  10.032  -2.774
   78    H    SER  13           HN       SER  13  -4.587   7.347  -4.417
   79    HA   SER  13           HA       SER  13  -2.956   5.577  -2.923
   80   1HB   SER  13          HB2       SER  13  -2.252   4.813  -5.309
   81   2HB   SER  13          HB1       SER  13  -3.931   4.626  -4.814
   82    HG   SER  13           HG       SER  13  -2.812   6.540  -6.552
   83    H    LYS  14           HN       LYS  14  -2.239   8.267  -5.080
   84    HA   LYS  14           HA       LYS  14   0.542   8.240  -5.096
   85   1HB   LYS  14          HB2       LYS  14   0.346  10.737  -5.346
   86   2HB   LYS  14          HB1       LYS  14  -0.574   9.780  -6.495
   87   1HG   LYS  14          HG2       LYS  14  -2.618  10.161  -5.248
   88   2HG   LYS  14          HG1       LYS  14  -1.731  11.046  -4.025
   89   1HD   LYS  14          HD2       LYS  14  -1.807  11.857  -6.926
   90   2HD   LYS  14          HD1       LYS  14  -2.977  12.419  -5.733
   91   1HE   LYS  14          HE2       LYS  14   0.002  12.783  -5.417
   92   2HE   LYS  14          HE1       LYS  14  -1.055  13.964  -6.175
   93   1HZ   LYS  14          HZ1       LYS  14  -1.170  13.023  -3.370
   94   2HZ   LYS  14          HZ2       LYS  14  -2.358  14.001  -4.074
   95   3HZ   LYS  14          HZ3       LYS  14  -0.773  14.569  -3.918
   96    H    ASP  15           HN       ASP  15  -1.701   9.339  -2.648
   97    HA   ASP  15           HA       ASP  15   0.347  10.472  -0.965
   98   1HB   ASP  15          HB2       ASP  15  -2.629  10.048  -0.720
   99   2HB   ASP  15          HB1       ASP  15  -1.676  10.551   0.673
  100    H    CYS  16           HN       CYS  16  -1.604   7.528  -1.055
  101    HA   CYS  16           HA       CYS  16  -0.768   6.450   1.406
  102   1HB   CYS  16          HB2       CYS  16  -1.763   5.136  -1.123
  103   2HB   CYS  16          HB1       CYS  16  -1.436   4.238   0.353
  104    H    TYR  17           HN       TYR  17   0.793   6.566  -1.731
  105    HA   TYR  17           HA       TYR  17   2.534   4.406  -1.481
  106   1HB   TYR  17          HB2       TYR  17   2.974   7.066  -2.850
  107   2HB   TYR  17          HB1       TYR  17   4.023   5.667  -3.062
  108    HD1  TYR  17           HD1      TYR  17   2.512   7.156  -5.255
  109    HD2  TYR  17           HD2      TYR  17   1.534   3.681  -2.982
  110    HE1  TYR  17           HE1      TYR  17   1.075   6.352  -7.078
  111    HE2  TYR  17           HE2      TYR  17   0.114   2.905  -4.795
  112    HH   TYR  17           HH       TYR  17  -1.093   4.665  -7.108
  113    H    ALA  18           HN       ALA  18   2.786   7.609  -0.062
  114    HA   ALA  18           HA       ALA  18   5.518   7.454   0.612
  115   1HB   ALA  18          HB1       ALA  18   5.088   9.578   1.007
  116   2HB   ALA  18          HB2       ALA  18   4.338   9.120   2.532
  117   3HB   ALA  18          HB3       ALA  18   3.354   9.302   1.083
  118    HA   PRO  19           HA       PRO  19   4.392   6.011   5.015
  119   1HB   PRO  19          HB2       PRO  19   1.553   5.340   5.177
  120   2HB   PRO  19          HB1       PRO  19   2.478   6.521   6.107
  121   1HG   PRO  19          HG2       PRO  19   0.586   7.214   4.294
  122   2HG   PRO  19          HG1       PRO  19   1.986   8.234   4.674
  123   1HD   PRO  19          HD2       PRO  19   1.571   6.378   2.401
  124   2HD   PRO  19          HD1       PRO  19   2.223   7.999   2.388
  125    H    CYS  20           HN       CYS  20   2.626   4.569   2.347
  126    HA   CYS  20           HA       CYS  20   2.526   1.916   3.281
  127   1HB   CYS  20          HB2       CYS  20   1.280   2.799   1.304
  128   2HB   CYS  20          HB1       CYS  20   2.791   2.865   0.408
  129    H    ARG  21           HN       ARG  21   4.817   3.522   1.049
  130    HA   ARG  21           HA       ARG  21   6.639   1.386   0.934
  131   1HB   ARG  21          HB2       ARG  21   6.544   3.376  -0.590
  132   2HB   ARG  21          HB1       ARG  21   7.286   4.340   0.666
  133   1HG   ARG  21          HG2       ARG  21   8.600   1.859  -0.407
  134   2HG   ARG  21          HG1       ARG  21   8.763   3.410  -1.208
  135   1HD   ARG  21          HD2       ARG  21   9.763   4.383   0.734
  136   2HD   ARG  21          HD1       ARG  21   9.476   2.940   1.674
  137    HE   ARG  21           HE       ARG  21  11.071   2.406  -0.622
  138   1HH1  ARG  21          HH11      ARG  21  11.172   3.667   2.659
  139   2HH1  ARG  21          HH12      ARG  21  12.827   3.244   2.880
  140   1HH2  ARG  21          HH21      ARG  21  13.250   1.873  -0.311
  141   2HH2  ARG  21          HH22      ARG  21  14.016   2.232   1.201
  142    H    LYS  22           HN       LYS  22   6.446   4.187   3.109
  143    HA   LYS  22           HA       LYS  22   8.854   3.752   4.458
  144   1HB   LYS  22          HB2       LYS  22   7.334   5.809   4.525
  145   2HB   LYS  22          HB1       LYS  22   6.372   4.946   5.713
  146   1HG   LYS  22          HG2       LYS  22   7.846   6.393   6.884
  147   2HG   LYS  22          HG1       LYS  22   8.419   4.740   7.126
  148   1HD   LYS  22          HD2       LYS  22  10.064   5.117   5.275
  149   2HD   LYS  22          HD1       LYS  22   9.523   6.792   5.204
  150   1HE   LYS  22          HE2       LYS  22  11.528   6.686   6.490
  151   2HE   LYS  22          HE1       LYS  22  10.196   7.033   7.590
  152   1HZ   LYS  22          HZ1       LYS  22  11.765   5.353   8.428
  153   2HZ   LYS  22          HZ2       LYS  22  11.350   4.326   7.151
  154   3HZ   LYS  22          HZ3       LYS  22  10.188   4.760   8.303
  155    H    GLN  23           HN       GLN  23   5.666   2.330   4.950
  156    HA   GLN  23           HA       GLN  23   6.516   1.039   7.433
  157   1HB   GLN  23          HB2       GLN  23   3.896   0.997   5.934
  158   2HB   GLN  23          HB1       GLN  23   4.185   0.151   7.451
  159   1HG   GLN  23          HG2       GLN  23   4.529   2.212   8.605
  160   2HG   GLN  23          HG1       GLN  23   4.418   3.135   7.116
  161   1HE2  GLN  23          HE21      GLN  23   2.369   3.378   6.130
  162   2HE2  GLN  23          HE22      GLN  23   0.917   3.073   6.990
  163    H    THR  24           HN       THR  24   5.027  -0.082   4.387
  164    HA   THR  24           HA       THR  24   5.853  -2.782   5.056
  165    HB   THR  24           HB       THR  24   3.535  -2.319   4.320
  166    HG1  THR  24           HG1      THR  24   3.568  -4.303   3.591
  167   1HG2  THR  24          HG21      THR  24   4.911  -1.267   1.883
  168   2HG2  THR  24          HG22      THR  24   3.458  -0.740   2.719
  169   3HG2  THR  24          HG23      THR  24   3.403  -2.156   1.687
  170    H    GLY  25           HN       GLY  25   7.318  -0.301   3.326
  171   1HA   GLY  25          HA2       GLY  25   9.433  -0.578   2.416
  172   2HA   GLY  25          HA1       GLY  25   9.118  -2.278   2.138
  173    H    CYS  26           HN       CYS  26   6.704  -2.034   0.661
  174    HA   CYS  26           HA       CYS  26   7.815  -0.954  -1.815
  175   1HB   CYS  26          HB2       CYS  26   5.882  -3.153  -1.260
  176   2HB   CYS  26          HB1       CYS  26   5.950  -2.430  -2.846
  177    HA   PRO  27           HA       PRO  27   4.659   2.192  -1.717
  178   1HB   PRO  27          HB2       PRO  27   5.369   3.493  -3.918
  179   2HB   PRO  27          HB1       PRO  27   6.516   3.346  -2.590
  180   1HG   PRO  27          HG2       PRO  27   6.315   1.635  -5.052
  181   2HG   PRO  27          HG1       PRO  27   7.733   2.491  -4.410
  182   1HD   PRO  27          HD2       PRO  27   7.258  -0.130  -3.895
  183   2HD   PRO  27          HD1       PRO  27   8.076   0.947  -2.742
  184    H    ASN  28           HN       ASN  28   3.831  -0.464  -2.809
  185    HA   ASN  28           HA       ASN  28   2.107   0.430  -5.027
  186   1HB   ASN  28          HB2       ASN  28   3.221  -2.262  -4.294
  187   2HB   ASN  28          HB1       ASN  28   1.740  -2.144  -5.225
  188   1HD2  ASN  28          HD21      ASN  28   4.215   0.289  -5.636
  189   2HD2  ASN  28          HD22      ASN  28   4.700  -0.240  -7.165
  190    H    ALA  29           HN       ALA  29   0.377   1.272  -4.088
  191    HA   ALA  29           HA       ALA  29  -1.297  -0.466  -2.431
  192   1HB   ALA  29          HB1       ALA  29  -1.282   0.832  -0.619
  193   2HB   ALA  29          HB2       ALA  29  -1.351   2.328  -1.544
  194   3HB   ALA  29          HB3       ALA  29   0.188   1.533  -1.275
  195    H    LYS  30           HN       LYS  30  -3.515   0.029  -2.515
  196    HA   LYS  30           HA       LYS  30  -4.381   2.138  -4.366
  197   1HB   LYS  30          HB2       LYS  30  -4.011  -0.006  -5.659
  198   2HB   LYS  30          HB1       LYS  30  -5.274  -0.745  -4.680
  199   1HG   LYS  30          HG2       LYS  30  -6.842   1.009  -5.509
  200   2HG   LYS  30          HG1       LYS  30  -5.547   1.585  -6.564
  201   1HD   LYS  30          HD2       LYS  30  -5.448  -0.760  -7.515
  202   2HD   LYS  30          HD1       LYS  30  -6.921  -1.099  -6.599
  203   1HE   LYS  30          HE2       LYS  30  -7.509  -0.532  -8.857
  204   2HE   LYS  30          HE1       LYS  30  -8.034   0.773  -7.794
  205   1HZ   LYS  30          HZ1       LYS  30  -5.471   0.829  -9.302
  206   2HZ   LYS  30          HZ2       LYS  30  -6.222   2.107  -8.484
  207   3HZ   LYS  30          HZ3       LYS  30  -6.917   1.482  -9.887
  208    H    CYS  31           HN       CYS  31  -6.364   3.003  -3.772
  209    HA   CYS  31           HA       CYS  31  -7.498   1.876  -1.336
  210   1HB   CYS  31          HB2       CYS  31  -8.314   3.925  -0.773
  211   2HB   CYS  31          HB1       CYS  31  -6.901   4.389  -1.690
  212    H    ILE  32           HN       ILE  32  -9.134   0.583  -1.396
  213    HA   ILE  32           HA       ILE  32 -11.186   0.945  -3.465
  214    HB   ILE  32           HB       ILE  32 -11.266  -1.766  -3.160
  215   1HG1  ILE  32          HG12      ILE  32  -8.898  -2.566  -3.516
  216   2HG1  ILE  32          HG11      ILE  32  -8.329  -0.994  -2.989
  217   1HG2  ILE  32          HG21      ILE  32 -11.373  -0.537  -5.249
  218   2HG2  ILE  32          HG22      ILE  32 -10.268  -1.904  -5.367
  219   3HG2  ILE  32          HG23      ILE  32  -9.631  -0.268  -5.195
  220   1HD1  ILE  32          HD11      ILE  32  -8.252  -2.752  -1.260
  221   2HD1  ILE  32          HD12      ILE  32 -10.009  -2.863  -1.330
  222   3HD1  ILE  32          HD13      ILE  32  -9.241  -1.383  -0.790
  223    H    ASN  33           HN       ASN  33 -13.194   0.931  -2.700
  224    HA   ASN  33           HA       ASN  33 -14.914   0.923  -1.235
  225   1HB   ASN  33          HB2       ASN  33 -13.388  -1.366   0.042
  226   2HB   ASN  33          HB1       ASN  33 -15.025  -0.901   0.466
  227   1HD2  ASN  33          HD21      ASN  33 -16.712  -1.315  -0.986
  228   2HD2  ASN  33          HD22      ASN  33 -16.512  -2.430  -2.290
  229    H    LYS  34           HN       LYS  34 -12.755   2.701  -0.861
  230    HA   LYS  34           HA       LYS  34 -12.015   4.262   0.548
  231   1HB   LYS  34          HB2       LYS  34 -14.105   3.125   2.411
  232   2HB   LYS  34          HB1       LYS  34 -13.141   4.533   2.791
  233   1HG   LYS  34          HG2       LYS  34 -15.010   4.283   0.448
  234   2HG   LYS  34          HG1       LYS  34 -15.346   5.125   1.963
  235   1HD   LYS  34          HD2       LYS  34 -13.489   6.662   1.523
  236   2HD   LYS  34          HD1       LYS  34 -13.143   5.824   0.011
  237   1HE   LYS  34          HE2       LYS  34 -14.404   7.824  -0.435
  238   2HE   LYS  34          HE1       LYS  34 -15.374   6.405  -0.821
  239   1HZ   LYS  34          HZ1       LYS  34 -16.573   8.184   0.394
  240   2HZ   LYS  34          HZ2       LYS  34 -15.590   7.904   1.740
  241   3HZ   LYS  34          HZ3       LYS  34 -16.619   6.685   1.172
  242    H    SER  35           HN       SER  35 -11.113   1.290   0.669
  243    HA   SER  35           HA       SER  35  -9.480   1.579   3.098
  244   1HB   SER  35          HB2       SER  35 -10.839  -0.440   3.139
  245   2HB   SER  35          HB1       SER  35 -10.238  -0.910   1.553
  246    HG   SER  35           HG       SER  35  -9.181  -1.899   3.428
  247    H    CYS  36           HN       CYS  36  -7.560   2.470   2.540
  248    HA   CYS  36           HA       CYS  36  -6.441   2.003  -0.095
  249   1HB   CYS  36          HB2       CYS  36  -6.291   4.193   1.336
  250   2HB   CYS  36          HB1       CYS  36  -4.912   3.388   2.075
  251    H    LYS  37           HN       LYS  37  -5.944  -0.103  -0.265
  252    HA   LYS  37           HA       LYS  37  -4.462  -1.368   1.913
  253   1HB   LYS  37          HB2       LYS  37  -6.503  -2.408   0.959
  254   2HB   LYS  37          HB1       LYS  37  -5.659  -2.588  -0.569
  255   1HG   LYS  37          HG2       LYS  37  -3.942  -3.976   0.699
  256   2HG   LYS  37          HG1       LYS  37  -5.046  -3.907   2.070
  257   1HD   LYS  37          HD2       LYS  37  -5.441  -5.956   0.933
  258   2HD   LYS  37          HD1       LYS  37  -6.815  -4.901   0.598
  259   1HE   LYS  37          HE2       LYS  37  -5.769  -4.309  -1.578
  260   2HE   LYS  37          HE1       LYS  37  -4.466  -5.441  -1.223
  261   1HZ   LYS  37          HZ1       LYS  37  -6.134  -6.406  -2.659
  262   2HZ   LYS  37          HZ2       LYS  37  -7.340  -6.130  -1.507
  263   3HZ   LYS  37          HZ3       LYS  37  -6.089  -7.225  -1.180
  264    H    CYS  38           HN       CYS  38  -2.373  -1.760   1.822
  265    HA   CYS  38           HA       CYS  38  -0.830  -1.339  -0.609
  266   1HB   CYS  38          HB2       CYS  38  -0.069  -2.207   2.182
  267   2HB   CYS  38          HB1       CYS  38   1.088  -2.028   0.869
  268    H    TYR  39           HN       TYR  39   0.228  -2.981  -1.741
  269    HA   TYR  39           HA       TYR  39  -0.988  -5.626  -1.498
  270   1HB   TYR  39          HB2       TYR  39   1.040  -4.542  -3.465
  271   2HB   TYR  39          HB1       TYR  39   0.298  -6.136  -3.547
  272    HD1  TYR  39           HD1      TYR  39   0.078  -2.859  -4.743
  273    HD2  TYR  39           HD2      TYR  39  -2.361  -6.113  -3.514
  274    HE1  TYR  39           HE1      TYR  39  -1.772  -1.953  -6.072
  275    HE2  TYR  39           HE2      TYR  39  -4.225  -5.213  -4.835
  276    HH   TYR  39           HH       TYR  39  -4.105  -3.378  -7.173
  277    H    GLY  40           HN       GLY  40   1.266  -4.242   0.283
  278   1HA   GLY  40          HA2       GLY  40   2.764  -5.172   1.716
  279   2HA   GLY  40          HA1       GLY  40   2.649  -6.700   0.850
  280    H    CYS  41           HN       CYS  41   4.869  -6.998   0.703
  281    HA   CYS  41           HA       CYS  41   6.114  -5.665  -1.508
  282   1HB   CYS  41          HB2       CYS  41   6.528  -4.121   0.463
  283   2HB   CYS  41          HB1       CYS  41   7.461  -5.403   1.202
  Start of MODEL   22
    1   1H    TRP   1           HT1      TRP   1   1.037   8.281   9.886
    2   2H    TRP   1           HT2      TRP   1   1.320   8.829   8.281
    3   3H    TRP   1           HT3      TRP   1   1.835   9.776   9.611
    4    HA   TRP   1           HA       TRP   1   3.653   8.666   8.580
    5   1HB   TRP   1          HB2       TRP   1   3.306   9.004  11.159
    6   2HB   TRP   1          HB1       TRP   1   3.185   7.262  11.224
    7    HD1  TRP   1           HD1      TRP   1   5.467   6.077   9.761
    8    HE1  TRP   1           HE1      TRP   1   7.931   6.670  10.204
    9    HE3  TRP   1           HE3      TRP   1   4.826  10.620  12.015
   10    HZ2  TRP   1           HZ2      TRP   1   9.409   8.775  11.365
   11    HZ3  TRP   1           HZ3      TRP   1   6.816  11.855  12.767
   12    HH2  TRP   1           HH2      TRP   1   9.060  10.950  12.448
   13    H    CYS   2           HN       CYS   2   1.825   6.169  10.342
   14    HA   CYS   2           HA       CYS   2   2.631   4.159   8.367
   15   1HB   CYS   2          HB2       CYS   2   1.481   2.619  10.016
   16   2HB   CYS   2          HB1       CYS   2   2.942   3.403  10.582
   17    H    SER   3           HN       SER   3   1.200   3.127   7.035
   18    HA   SER   3           HA       SER   3  -1.250   4.554   6.479
   19   1HB   SER   3          HB2       SER   3  -1.283   2.622   4.644
   20   2HB   SER   3          HB1       SER   3  -0.232   4.009   4.510
   21    HG   SER   3           HG       SER   3   0.602   1.647   4.383
   22    H    THR   4           HN       THR   4  -0.519   1.844   8.408
   23    HA   THR   4           HA       THR   4  -3.139   0.608   7.978
   24    HB   THR   4           HB       THR   4  -2.279  -1.063   9.686
   25    HG1  THR   4           HG1      THR   4  -0.684   0.029  10.744
   26   1HG2  THR   4          HG21      THR   4  -0.634  -0.644   7.190
   27   2HG2  THR   4          HG22      THR   4  -2.158  -1.524   7.304
   28   3HG2  THR   4          HG23      THR   4  -0.724  -2.133   8.130
   29    H    CYS   5           HN       CYS   5  -1.429   2.545  10.328
   30    HA   CYS   5           HA       CYS   5  -3.452   2.180  12.383
   31   1HB   CYS   5          HB2       CYS   5  -1.589   4.425  12.731
   32   2HB   CYS   5          HB1       CYS   5  -1.938   3.056  13.774
   33    H    LEU   6           HN       LEU   6  -2.981   4.160   9.652
   34    HA   LEU   6           HA       LEU   6  -5.049   6.030  10.599
   35   1HB   LEU   6          HB2       LEU   6  -2.861   7.110  10.294
   36   2HB   LEU   6          HB1       LEU   6  -2.801   6.522   8.642
   37    HG   LEU   6           HG       LEU   6  -4.798   7.896   8.104
   38   1HD1  LEU   6          HD11      LEU   6  -5.514   9.621   9.701
   39   2HD1  LEU   6          HD12      LEU   6  -4.466   8.905  10.926
   40   3HD1  LEU   6          HD13      LEU   6  -5.834   7.993  10.288
   41   1HD2  LEU   6          HD21      LEU   6  -2.514   9.445   9.322
   42   2HD2  LEU   6          HD22      LEU   6  -3.665  10.047   8.128
   43   3HD2  LEU   6          HD23      LEU   6  -2.545   8.757   7.698
   44    H    ASP   7           HN       ASP   7  -6.894   5.858   9.520
   45    HA   ASP   7           HA       ASP   7  -7.016   4.175   7.155
   46   1HB   ASP   7          HB2       ASP   7  -9.506   4.586   7.339
   47   2HB   ASP   7          HB1       ASP   7  -8.749   3.770   8.698
   48    H    LEU   8           HN       LEU   8  -5.921   5.386   5.624
   49    HA   LEU   8           HA       LEU   8  -6.951   8.005   4.843
   50   1HB   LEU   8          HB2       LEU   8  -4.862   6.240   3.591
   51   2HB   LEU   8          HB1       LEU   8  -5.281   7.835   3.013
   52    HG   LEU   8           HG       LEU   8  -4.609   8.479   5.537
   53   1HD1  LEU   8          HD11      LEU   8  -3.015   5.992   4.920
   54   2HD1  LEU   8          HD12      LEU   8  -4.092   6.279   6.275
   55   3HD1  LEU   8          HD13      LEU   8  -2.592   7.170   6.164
   56   1HD2  LEU   8          HD21      LEU   8  -2.419   9.094   4.684
   57   2HD2  LEU   8          HD22      LEU   8  -3.673   9.436   3.494
   58   3HD2  LEU   8          HD23      LEU   8  -2.637   8.020   3.301
   59    H    ALA   9           HN       ALA   9  -9.073   6.540   4.712
   60    HA   ALA   9           HA       ALA   9  -9.573   4.802   2.637
   61   1HB   ALA   9          HB1       ALA   9 -11.494   6.786   3.851
   62   2HB   ALA   9          HB2       ALA   9 -11.099   5.195   4.500
   63   3HB   ALA   9          HB3       ALA   9 -11.928   5.331   2.950
   64    H    CYS  10           HN       CYS  10  -8.460   5.554   0.811
   65    HA   CYS  10           HA       CYS  10  -8.100   6.652  -1.086
   66   1HB   CYS  10          HB2       CYS  10 -11.086   6.801  -0.895
   67   2HB   CYS  10          HB1       CYS  10 -10.259   7.586  -2.238
   68    H    THR  11           HN       THR  11  -7.287   8.019   0.974
   69    HA   THR  11           HA       THR  11  -8.086  10.808   0.664
   70    HB   THR  11           HB       THR  11  -5.648   9.654   2.082
   71    HG1  THR  11           HG1      THR  11  -8.243  10.263   3.141
   72   1HG2  THR  11          HG21      THR  11  -7.031  12.333   2.218
   73   2HG2  THR  11          HG22      THR  11  -5.371  11.994   1.726
   74   3HG2  THR  11          HG23      THR  11  -5.854  11.770   3.404
   75    H    GLY  12           HN       GLY  12  -6.380   8.483  -0.978
   76   1HA   GLY  12          HA2       GLY  12  -5.677   9.423  -3.199
   77   2HA   GLY  12          HA1       GLY  12  -4.532  10.364  -2.253
   78    H    SER  13           HN       SER  13  -4.781   7.649  -4.063
   79    HA   SER  13           HA       SER  13  -3.230   5.781  -2.590
   80   1HB   SER  13          HB2       SER  13  -3.369   6.211  -5.592
   81   2HB   SER  13          HB1       SER  13  -2.737   4.778  -4.779
   82    HG   SER  13           HG       SER  13  -5.401   5.699  -4.935
   83    H    LYS  14           HN       LYS  14  -2.525   8.617  -4.519
   84    HA   LYS  14           HA       LYS  14   0.251   8.475  -4.698
   85   1HB   LYS  14          HB2       LYS  14  -1.485  10.893  -4.371
   86   2HB   LYS  14          HB1       LYS  14   0.196  10.912  -4.900
   87   1HG   LYS  14          HG2       LYS  14  -0.394   9.664  -6.891
   88   2HG   LYS  14          HG1       LYS  14  -2.077   9.582  -6.368
   89   1HD   LYS  14          HD2       LYS  14  -2.226  12.024  -6.450
   90   2HD   LYS  14          HD1       LYS  14  -0.539  12.112  -6.966
   91   1HE   LYS  14          HE2       LYS  14  -2.806  10.808  -8.471
   92   2HE   LYS  14          HE1       LYS  14  -2.036  12.344  -8.864
   93   1HZ   LYS  14          HZ1       LYS  14  -0.854   9.634  -9.014
   94   2HZ   LYS  14          HZ2       LYS  14   0.088  11.040  -9.095
   95   3HZ   LYS  14          HZ3       LYS  14  -1.091  10.740 -10.267
   96    H    ASP  15           HN       ASP  15  -1.859   9.604  -2.136
   97    HA   ASP  15           HA       ASP  15   0.218  10.567  -0.446
   98   1HB   ASP  15          HB2       ASP  15  -2.316  11.101  -0.359
   99   2HB   ASP  15          HB1       ASP  15  -2.483   9.591   0.530
  100    H    CYS  16           HN       CYS  16  -1.722   7.594  -0.526
  101    HA   CYS  16           HA       CYS  16  -0.550   6.424   1.748
  102   1HB   CYS  16          HB2       CYS  16  -2.073   5.176  -0.543
  103   2HB   CYS  16          HB1       CYS  16  -1.666   4.336   0.952
  104    H    TYR  17           HN       TYR  17   0.670   6.634  -1.483
  105    HA   TYR  17           HA       TYR  17   2.232   4.337  -1.683
  106   1HB   TYR  17          HB2       TYR  17   2.811   7.168  -2.569
  107   2HB   TYR  17          HB1       TYR  17   3.852   5.814  -2.987
  108    HD1  TYR  17           HD1      TYR  17   2.322   7.749  -4.847
  109    HD2  TYR  17           HD2      TYR  17   1.469   3.821  -3.425
  110    HE1  TYR  17           HE1      TYR  17   0.966   7.316  -6.844
  111    HE2  TYR  17           HE2      TYR  17   0.119   3.393  -5.414
  112    HH   TYR  17           HH       TYR  17  -1.224   5.289  -7.178
  113    H    ALA  18           HN       ALA  18   2.975   7.395  -0.057
  114    HA   ALA  18           HA       ALA  18   5.608   6.730   0.645
  115   1HB   ALA  18          HB1       ALA  18   4.836   8.533   2.592
  116   2HB   ALA  18          HB2       ALA  18   3.750   8.888   1.251
  117   3HB   ALA  18          HB3       ALA  18   5.489   8.908   1.001
  118    HA   PRO  19           HA       PRO  19   4.036   5.542   5.092
  119   1HB   PRO  19          HB2       PRO  19   1.227   4.845   4.546
  120   2HB   PRO  19          HB1       PRO  19   1.899   5.667   5.929
  121   1HG   PRO  19          HG2       PRO  19   0.485   6.966   4.095
  122   2HG   PRO  19          HG1       PRO  19   1.919   7.710   4.828
  123   1HD   PRO  19          HD2       PRO  19   1.619   6.445   2.168
  124   2HD   PRO  19          HD1       PRO  19   2.491   7.886   2.616
  125    H    CYS  20           HN       CYS  20   2.392   3.970   2.351
  126    HA   CYS  20           HA       CYS  20   2.539   1.340   3.397
  127   1HB   CYS  20          HB2       CYS  20   1.018   1.997   1.568
  128   2HB   CYS  20          HB1       CYS  20   2.397   2.235   0.508
  129    H    ARG  21           HN       ARG  21   4.622   3.140   1.137
  130    HA   ARG  21           HA       ARG  21   6.477   1.049   0.707
  131   1HB   ARG  21          HB2       ARG  21   6.183   3.182  -0.636
  132   2HB   ARG  21          HB1       ARG  21   7.088   4.022   0.605
  133   1HG   ARG  21          HG2       ARG  21   8.219   1.605  -0.774
  134   2HG   ARG  21          HG1       ARG  21   8.280   3.185  -1.532
  135   1HD   ARG  21          HD2       ARG  21   9.359   2.697   1.236
  136   2HD   ARG  21          HD1       ARG  21  10.311   2.493  -0.214
  137    HE   ARG  21           HE       ARG  21   9.162   5.027  -0.330
  138   1HH1  ARG  21          HH11      ARG  21  11.441   3.273   1.677
  139   2HH1  ARG  21          HH12      ARG  21  12.370   4.679   2.043
  140   1HH2  ARG  21          HH21      ARG  21  10.416   6.873   0.151
  141   2HH2  ARG  21          HH22      ARG  21  11.798   6.723   1.185
  142    H    LYS  22           HN       LYS  22   6.321   3.682   3.063
  143    HA   LYS  22           HA       LYS  22   8.831   3.210   4.273
  144   1HB   LYS  22          HB2       LYS  22   7.677   5.292   4.523
  145   2HB   LYS  22          HB1       LYS  22   6.320   4.520   5.318
  146   1HG   LYS  22          HG2       LYS  22   7.605   4.022   7.255
  147   2HG   LYS  22          HG1       LYS  22   9.105   4.524   6.469
  148   1HD   LYS  22          HD2       LYS  22   6.757   6.335   7.071
  149   2HD   LYS  22          HD1       LYS  22   8.220   6.204   8.050
  150   1HE   LYS  22          HE2       LYS  22   9.560   6.891   6.091
  151   2HE   LYS  22          HE1       LYS  22   8.072   7.106   5.174
  152   1HZ   LYS  22          HZ1       LYS  22   7.379   8.795   6.737
  153   2HZ   LYS  22          HZ2       LYS  22   8.868   9.186   6.039
  154   3HZ   LYS  22          HZ3       LYS  22   8.810   8.597   7.623
  155    H    GLN  23           HN       GLN  23   5.633   1.826   4.814
  156    HA   GLN  23           HA       GLN  23   6.377   0.523   7.263
  157   1HB   GLN  23          HB2       GLN  23   3.994   0.442   5.455
  158   2HB   GLN  23          HB1       GLN  23   4.214  -0.851   6.628
  159   1HG   GLN  23          HG2       GLN  23   4.409   0.965   8.385
  160   2HG   GLN  23          HG1       GLN  23   3.836   2.082   7.144
  161   1HE2  GLN  23          HE21      GLN  23   2.663   0.992   9.717
  162   2HE2  GLN  23          HE22      GLN  23   1.088   0.475   9.242
  163    H    THR  24           HN       THR  24   5.543  -0.817   4.047
  164    HA   THR  24           HA       THR  24   6.759  -3.322   4.914
  165    HB   THR  24           HB       THR  24   4.492  -3.338   3.930
  166    HG1  THR  24           HG1      THR  24   4.871  -5.202   2.861
  167   1HG2  THR  24          HG21      THR  24   5.291  -3.153   1.159
  168   2HG2  THR  24          HG22      THR  24   5.548  -1.630   1.987
  169   3HG2  THR  24          HG23      THR  24   3.963  -2.380   2.004
  170    H    GLY  25           HN       GLY  25   7.427  -0.783   2.549
  171   1HA   GLY  25          HA2       GLY  25   9.867  -0.728   2.008
  172   2HA   GLY  25          HA1       GLY  25   9.710  -2.420   1.575
  173    H    CYS  26           HN       CYS  26   7.200  -2.266   0.238
  174    HA   CYS  26           HA       CYS  26   8.081  -0.839  -2.178
  175   1HB   CYS  26          HB2       CYS  26   6.105  -3.062  -1.925
  176   2HB   CYS  26          HB1       CYS  26   6.667  -2.369  -3.425
  177    HA   PRO  27           HA       PRO  27   4.615   1.897  -1.591
  178   1HB   PRO  27          HB2       PRO  27   4.805   3.320  -3.836
  179   2HB   PRO  27          HB1       PRO  27   6.122   3.321  -2.667
  180   1HG   PRO  27          HG2       PRO  27   5.865   1.703  -5.175
  181   2HG   PRO  27          HG1       PRO  27   7.235   2.683  -4.617
  182   1HD   PRO  27          HD2       PRO  27   7.079  -0.018  -4.251
  183   2HD   PRO  27          HD1       PRO  27   7.955   1.070  -3.155
  184    H    ASN  28           HN       ASN  28   4.111  -0.850  -2.916
  185    HA   ASN  28           HA       ASN  28   2.215  -0.331  -5.000
  186   1HB   ASN  28          HB2       ASN  28   2.737  -2.854  -3.404
  187   2HB   ASN  28          HB1       ASN  28   1.719  -2.748  -4.826
  188   1HD2  ASN  28          HD21      ASN  28   3.951  -4.450  -4.511
  189   2HD2  ASN  28          HD22      ASN  28   5.103  -3.985  -5.711
  190    H    ALA  29           HN       ALA  29   0.903   1.230  -3.816
  191    HA   ALA  29           HA       ALA  29  -1.052  -0.087  -2.029
  192   1HB   ALA  29          HB1       ALA  29  -1.178   1.781  -0.672
  193   2HB   ALA  29          HB2       ALA  29  -0.388   2.829  -1.853
  194   3HB   ALA  29          HB3       ALA  29   0.543   1.621  -0.987
  195    H    LYS  30           HN       LYS  30  -3.109   0.021  -2.634
  196    HA   LYS  30           HA       LYS  30  -3.897   2.051  -4.634
  197   1HB   LYS  30          HB2       LYS  30  -3.750  -0.197  -5.666
  198   2HB   LYS  30          HB1       LYS  30  -4.839  -0.819  -4.450
  199   1HG   LYS  30          HG2       LYS  30  -6.045  -0.443  -6.493
  200   2HG   LYS  30          HG1       LYS  30  -6.618   0.668  -5.255
  201   1HD   LYS  30          HD2       LYS  30  -6.383   1.827  -7.360
  202   2HD   LYS  30          HD1       LYS  30  -5.193   2.448  -6.224
  203   1HE   LYS  30          HE2       LYS  30  -3.464   1.082  -7.266
  204   2HE   LYS  30          HE1       LYS  30  -4.657   0.367  -8.349
  205   1HZ   LYS  30          HZ1       LYS  30  -3.868   3.229  -8.267
  206   2HZ   LYS  30          HZ2       LYS  30  -5.014   2.554  -9.315
  207   3HZ   LYS  30          HZ3       LYS  30  -3.391   2.097  -9.430
  208    H    CYS  31           HN       CYS  31  -5.596   3.286  -3.986
  209    HA   CYS  31           HA       CYS  31  -6.732   2.717  -1.405
  210   1HB   CYS  31          HB2       CYS  31  -7.434   4.840  -1.325
  211   2HB   CYS  31          HB1       CYS  31  -6.200   5.058  -2.547
  212    H    ILE  32           HN       ILE  32  -8.406   1.517  -1.049
  213    HA   ILE  32           HA       ILE  32 -10.470   1.171  -3.131
  214    HB   ILE  32           HB       ILE  32 -11.246  -0.771  -1.882
  215   1HG1  ILE  32          HG12      ILE  32  -8.901  -0.261  -0.044
  216   2HG1  ILE  32          HG11      ILE  32 -10.596  -0.108   0.379
  217   1HG2  ILE  32          HG21      ILE  32  -9.524  -1.043  -3.634
  218   2HG2  ILE  32          HG22      ILE  32  -9.463  -2.301  -2.407
  219   3HG2  ILE  32          HG23      ILE  32  -8.281  -0.991  -2.385
  220   1HD1  ILE  32          HD11      ILE  32  -9.053  -2.595  -0.218
  221   2HD1  ILE  32          HD12      ILE  32 -10.815  -2.552  -0.116
  222   3HD1  ILE  32          HD13      ILE  32  -9.837  -2.123   1.287
  223    H    ASN  33           HN       ASN  33 -12.673   1.151  -2.223
  224    HA   ASN  33           HA       ASN  33 -13.344   3.585  -1.355
  225   1HB   ASN  33          HB2       ASN  33 -14.872   1.056  -0.733
  226   2HB   ASN  33          HB1       ASN  33 -15.552   2.679  -0.644
  227   1HD2  ASN  33          HD21      ASN  33 -15.951   3.817  -2.548
  228   2HD2  ASN  33          HD22      ASN  33 -15.987   3.020  -4.080
  229    H    LYS  34           HN       LYS  34 -12.568   0.916   0.833
  230    HA   LYS  34           HA       LYS  34 -13.253   2.602   3.121
  231   1HB   LYS  34          HB2       LYS  34 -14.162   0.336   2.991
  232   2HB   LYS  34          HB1       LYS  34 -12.529  -0.322   2.987
  233   1HG   LYS  34          HG2       LYS  34 -12.136   0.570   5.203
  234   2HG   LYS  34          HG1       LYS  34 -13.738   1.308   5.215
  235   1HD   LYS  34          HD2       LYS  34 -14.786  -0.864   5.126
  236   2HD   LYS  34          HD1       LYS  34 -13.216  -1.657   4.965
  237   1HE   LYS  34          HE2       LYS  34 -14.140  -0.048   7.348
  238   2HE   LYS  34          HE1       LYS  34 -14.087  -1.807   7.248
  239   1HZ   LYS  34          HZ1       LYS  34 -11.802   0.075   7.243
  240   2HZ   LYS  34          HZ2       LYS  34 -11.636  -1.553   6.805
  241   3HZ   LYS  34          HZ3       LYS  34 -12.150  -1.140   8.362
  242    H    SER  35           HN       SER  35 -10.378   1.321   1.554
  243    HA   SER  35           HA       SER  35  -8.649   2.552   3.565
  244   1HB   SER  35          HB2       SER  35  -8.631  -0.432   3.010
  245   2HB   SER  35          HB1       SER  35  -7.554   0.436   4.105
  246    HG   SER  35           HG       SER  35  -9.235   0.785   5.480
  247    H    CYS  36           HN       CYS  36  -6.309   2.249   3.028
  248    HA   CYS  36           HA       CYS  36  -5.876   2.085   0.122
  249   1HB   CYS  36          HB2       CYS  36  -4.210   3.170   2.372
  250   2HB   CYS  36          HB1       CYS  36  -3.477   2.755   0.824
  251    H    LYS  37           HN       LYS  37  -5.760   0.056  -0.493
  252    HA   LYS  37           HA       LYS  37  -4.671  -1.967   1.287
  253   1HB   LYS  37          HB2       LYS  37  -6.828  -2.145  -0.039
  254   2HB   LYS  37          HB1       LYS  37  -5.857  -2.342  -1.474
  255   1HG   LYS  37          HG2       LYS  37  -5.627  -4.133   0.950
  256   2HG   LYS  37          HG1       LYS  37  -6.767  -4.441  -0.354
  257   1HD   LYS  37          HD2       LYS  37  -3.782  -4.273  -0.652
  258   2HD   LYS  37          HD1       LYS  37  -4.706  -5.749  -0.595
  259   1HE   LYS  37          HE2       LYS  37  -5.029  -3.604  -2.700
  260   2HE   LYS  37          HE1       LYS  37  -4.088  -5.071  -2.878
  261   1HZ   LYS  37          HZ1       LYS  37  -7.013  -4.921  -2.431
  262   2HZ   LYS  37          HZ2       LYS  37  -6.122  -6.360  -2.473
  263   3HZ   LYS  37          HZ3       LYS  37  -6.223  -5.386  -3.850
  264    H    CYS  38           HN       CYS  38  -2.586  -2.465   1.231
  265    HA   CYS  38           HA       CYS  38  -0.955  -1.850  -1.088
  266   1HB   CYS  38          HB2       CYS  38  -0.249  -3.034   1.593
  267   2HB   CYS  38          HB1       CYS  38   0.919  -2.651   0.334
  268    H    TYR  39           HN       TYR  39   0.055  -3.376  -2.382
  269    HA   TYR  39           HA       TYR  39  -1.417  -5.826  -2.662
  270   1HB   TYR  39          HB2       TYR  39   0.973  -4.740  -4.160
  271   2HB   TYR  39          HB1       TYR  39   0.131  -6.220  -4.601
  272    HD1  TYR  39           HD1      TYR  39  -0.185  -2.556  -4.411
  273    HD2  TYR  39           HD2      TYR  39  -1.971  -6.154  -5.756
  274    HE1  TYR  39           HE1      TYR  39  -1.727  -1.241  -5.770
  275    HE2  TYR  39           HE2      TYR  39  -3.537  -4.856  -7.130
  276    HH   TYR  39           HH       TYR  39  -3.216  -2.093  -8.171
  277    H    GLY  40           HN       GLY  40   1.017  -5.116  -0.570
  278   1HA   GLY  40          HA2       GLY  40   2.133  -6.500   0.834
  279   2HA   GLY  40          HA1       GLY  40   1.550  -7.879  -0.083
  280    H    CYS  41           HN       CYS  41   4.204  -5.872   0.563
  281    HA   CYS  41           HA       CYS  41   5.910  -7.443  -1.171
  282   1HB   CYS  41          HB2       CYS  41   5.008  -5.681  -2.676
  283   2HB   CYS  41          HB1       CYS  41   5.670  -4.484  -1.603
  Start of MODEL   23
    1   1H    TRP   1           HT1      TRP   1   4.053   2.259  13.319
    2   2H    TRP   1           HT2      TRP   1   3.006   3.352  12.504
    3   3H    TRP   1           HT3      TRP   1   3.224   3.466  14.205
    4    HA   TRP   1           HA       TRP   1   5.494   4.029  13.929
    5   1HB   TRP   1          HB2       TRP   1   4.821   3.713  11.003
    6   2HB   TRP   1          HB1       TRP   1   6.197   4.672  11.535
    7    HD1  TRP   1           HD1      TRP   1   5.373   1.253  10.517
    8    HE1  TRP   1           HE1      TRP   1   7.267  -0.368  11.156
    9    HE3  TRP   1           HE3      TRP   1   7.974   4.264  13.730
   10    HZ2  TRP   1           HZ2      TRP   1   9.563  -0.369  12.802
   11    HZ3  TRP   1           HZ3      TRP   1  10.008   3.379  14.791
   12    HH2  TRP   1           HH2      TRP   1  10.783   1.109  14.337
   13    H    CYS   2           HN       CYS   2   3.394   5.330  11.366
   14    HA   CYS   2           HA       CYS   2   3.972   8.005  12.338
   15   1HB   CYS   2          HB2       CYS   2   2.677   8.672  10.259
   16   2HB   CYS   2          HB1       CYS   2   4.180   7.804  10.024
   17    H    SER   3           HN       SER   3   2.758   8.893  13.860
   18    HA   SER   3           HA       SER   3   0.028   8.056  14.363
   19   1HB   SER   3          HB2       SER   3   1.617  10.342  15.564
   20   2HB   SER   3          HB1       SER   3   0.095   9.687  16.175
   21    HG   SER   3           HG       SER   3   1.943   8.843  17.265
   22    H    THR   4           HN       THR   4   1.553  10.177  12.252
   23    HA   THR   4           HA       THR   4  -0.569  12.114  12.031
   24    HB   THR   4           HB       THR   4   1.759  12.743  11.459
   25    HG1  THR   4           HG1      THR   4   1.175  13.906   9.704
   26   1HG2  THR   4          HG21      THR   4   2.715  10.769  10.613
   27   2HG2  THR   4          HG22      THR   4   2.658  11.888   9.263
   28   3HG2  THR   4          HG23      THR   4   1.486  10.584   9.363
   29    H    CYS   5           HN       CYS   5   0.088   8.940  10.964
   30    HA   CYS   5           HA       CYS   5  -1.692   9.026   8.677
   31   1HB   CYS   5          HB2       CYS   5  -0.413   6.662  10.076
   32   2HB   CYS   5          HB1       CYS   5  -1.234   6.644   8.531
   33    H    LEU   6           HN       LEU   6  -3.423   9.953  10.059
   34    HA   LEU   6           HA       LEU   6  -4.557   8.313  12.123
   35   1HB   LEU   6          HB2       LEU   6  -4.688  10.775  12.143
   36   2HB   LEU   6          HB1       LEU   6  -5.680  10.731  10.696
   37    HG   LEU   6           HG       LEU   6  -7.438   9.521  11.959
   38   1HD1  LEU   6          HD11      LEU   6  -6.074   8.410  13.618
   39   2HD1  LEU   6          HD12      LEU   6  -7.267   9.423  14.418
   40   3HD1  LEU   6          HD13      LEU   6  -5.591   9.960  14.306
   41   1HD2  LEU   6          HD21      LEU   6  -8.176  11.420  13.292
   42   2HD2  LEU   6          HD22      LEU   6  -7.509  11.956  11.751
   43   3HD2  LEU   6          HD23      LEU   6  -6.554  12.114  13.227
   44    H    ASP   7           HN       ASP   7  -5.729   9.374   8.925
   45    HA   ASP   7           HA       ASP   7  -7.072   6.759   8.695
   46   1HB   ASP   7          HB2       ASP   7  -9.008   7.689   7.706
   47   2HB   ASP   7          HB1       ASP   7  -8.727   8.601   9.183
   48    H    LEU   8           HN       LEU   8  -6.415   5.685   6.962
   49    HA   LEU   8           HA       LEU   8  -5.244   7.231   4.736
   50   1HB   LEU   8          HB2       LEU   8  -4.807   4.330   5.441
   51   2HB   LEU   8          HB1       LEU   8  -4.160   5.151   4.033
   52    HG   LEU   8           HG       LEU   8  -2.981   6.718   5.713
   53   1HD1  LEU   8          HD11      LEU   8  -2.443   5.257   7.841
   54   2HD1  LEU   8          HD12      LEU   8  -4.039   4.595   7.525
   55   3HD1  LEU   8          HD13      LEU   8  -3.839   6.326   7.791
   56   1HD2  LEU   8          HD21      LEU   8  -1.126   5.090   5.986
   57   2HD2  LEU   8          HD22      LEU   8  -1.768   5.178   4.355
   58   3HD2  LEU   8          HD23      LEU   8  -2.201   3.821   5.393
   59    H    ALA   9           HN       ALA   9  -7.983   6.184   5.723
   60    HA   ALA   9           HA       ALA   9  -9.025   4.355   3.952
   61   1HB   ALA   9          HB1       ALA   9 -11.222   5.514   4.712
   62   2HB   ALA   9          HB2       ALA   9 -10.168   6.441   5.762
   63   3HB   ALA   9          HB3       ALA   9 -10.222   4.684   5.893
   64    H    CYS  10           HN       CYS  10  -8.113   5.127   1.923
   65    HA   CYS  10           HA       CYS  10  -8.133   6.163  -0.042
   66   1HB   CYS  10          HB2       CYS  10 -10.994   6.695   0.745
   67   2HB   CYS  10          HB1       CYS  10 -10.332   7.348  -0.744
   68    H    THR  11           HN       THR  11  -6.730   7.290   1.748
   69    HA   THR  11           HA       THR  11  -7.277  10.147   1.891
   70    HB   THR  11           HB       THR  11  -6.006   9.008   3.718
   71    HG1  THR  11           HG1      THR  11  -5.563  11.165   3.565
   72   1HG2  THR  11          HG21      THR  11  -3.776   8.228   3.399
   73   2HG2  THR  11          HG22      THR  11  -3.770   8.732   1.717
   74   3HG2  THR  11          HG23      THR  11  -4.792   7.395   2.231
   75    H    GLY  12           HN       GLY  12  -5.990   7.885  -0.302
   76   1HA   GLY  12          HA2       GLY  12  -5.761   8.968  -2.563
   77   2HA   GLY  12          HA1       GLY  12  -4.526   9.955  -1.803
   78    H    SER  13           HN       SER  13  -4.506   7.799  -3.962
   79    HA   SER  13           HA       SER  13  -3.028   5.599  -2.954
   80   1HB   SER  13          HB2       SER  13  -2.288   5.343  -5.360
   81   2HB   SER  13          HB1       SER  13  -4.034   5.424  -5.128
   82    HG   SER  13           HG       SER  13  -3.324   6.764  -6.850
   83    H    LYS  14           HN       LYS  14  -2.044   8.640  -4.462
   84    HA   LYS  14           HA       LYS  14   0.737   8.311  -4.261
   85   1HB   LYS  14          HB2       LYS  14  -0.698  10.940  -4.105
   86   2HB   LYS  14          HB1       LYS  14   0.926  10.637  -4.710
   87   1HG   LYS  14          HG2       LYS  14  -1.554   9.533  -6.036
   88   2HG   LYS  14          HG1       LYS  14  -0.871  11.105  -6.396
   89   1HD   LYS  14          HD2       LYS  14   1.219  10.088  -7.084
   90   2HD   LYS  14          HD1       LYS  14   0.594   8.506  -6.660
   91   1HE   LYS  14          HE2       LYS  14   0.470   8.972  -9.085
   92   2HE   LYS  14          HE1       LYS  14  -1.098   8.634  -8.356
   93   1HZ   LYS  14          HZ1       LYS  14  -0.987  10.564  -9.937
   94   2HZ   LYS  14          HZ2       LYS  14  -0.104  11.401  -8.765
   95   3HZ   LYS  14          HZ3       LYS  14  -1.686  10.891  -8.435
   96    H    ASP  15           HN       ASP  15  -1.662   9.676  -2.146
   97    HA   ASP  15           HA       ASP  15   0.052  10.732  -0.172
   98   1HB   ASP  15          HB2       ASP  15  -2.814   9.781   0.094
   99   2HB   ASP  15          HB1       ASP  15  -1.978  10.864   1.204
  100    H    CYS  16           HN       CYS  16  -1.356   7.545  -0.661
  101    HA   CYS  16           HA       CYS  16  -0.567   6.648   1.986
  102   1HB   CYS  16          HB2       CYS  16  -2.724   5.982   1.010
  103   2HB   CYS  16          HB1       CYS  16  -1.878   5.149  -0.289
  104    H    TYR  17           HN       TYR  17   0.766   6.592  -1.229
  105    HA   TYR  17           HA       TYR  17   2.280   4.282  -1.228
  106   1HB   TYR  17          HB2       TYR  17   2.927   7.034  -2.286
  107   2HB   TYR  17          HB1       TYR  17   3.999   5.665  -2.558
  108    HD1  TYR  17           HD1      TYR  17   2.495   7.426  -4.614
  109    HD2  TYR  17           HD2      TYR  17   1.688   3.598  -2.926
  110    HE1  TYR  17           HE1      TYR  17   1.221   6.793  -6.620
  111    HE2  TYR  17           HE2      TYR  17   0.422   2.991  -4.932
  112    HH   TYR  17           HH       TYR  17   0.622   4.158  -7.677
  113    H    ALA  18           HN       ALA  18   3.215   7.410   0.158
  114    HA   ALA  18           HA       ALA  18   5.767   6.598   0.968
  115   1HB   ALA  18          HB1       ALA  18   5.162   8.584   2.760
  116   2HB   ALA  18          HB2       ALA  18   4.064   8.922   1.424
  117   3HB   ALA  18          HB3       ALA  18   5.792   8.800   1.132
  118    HA   PRO  19           HA       PRO  19   4.042   5.772   5.459
  119   1HB   PRO  19          HB2       PRO  19   1.160   5.274   4.923
  120   2HB   PRO  19          HB1       PRO  19   1.951   6.124   6.241
  121   1HG   PRO  19          HG2       PRO  19   0.641   7.440   4.323
  122   2HG   PRO  19          HG1       PRO  19   2.116   8.099   5.056
  123   1HD   PRO  19          HD2       PRO  19   1.761   6.756   2.437
  124   2HD   PRO  19          HD1       PRO  19   2.750   8.131   2.855
  125    H    CYS  20           HN       CYS  20   2.275   4.181   2.782
  126    HA   CYS  20           HA       CYS  20   2.189   1.615   3.945
  127   1HB   CYS  20          HB2       CYS  20   0.818   2.075   2.019
  128   2HB   CYS  20          HB1       CYS  20   2.229   2.457   1.041
  129    H    ARG  21           HN       ARG  21   4.612   3.161   1.842
  130    HA   ARG  21           HA       ARG  21   6.343   0.899   1.757
  131   1HB   ARG  21          HB2       ARG  21   6.444   2.776   0.141
  132   2HB   ARG  21          HB1       ARG  21   7.049   3.824   1.408
  133   1HG   ARG  21          HG2       ARG  21   9.018   2.395   1.655
  134   2HG   ARG  21          HG1       ARG  21   8.405   1.331   0.391
  135   1HD   ARG  21          HD2       ARG  21   8.470   3.305  -1.150
  136   2HD   ARG  21          HD1       ARG  21   9.270   4.198   0.127
  137    HE   ARG  21           HE       ARG  21  10.813   1.996  -0.089
  138   1HH1  ARG  21          HH11      ARG  21   9.733   4.411  -2.406
  139   2HH1  ARG  21          HH12      ARG  21  11.056   4.125  -3.472
  140   1HH2  ARG  21          HH21      ARG  21  12.540   1.642  -1.511
  141   2HH2  ARG  21          HH22      ARG  21  12.654   2.565  -2.973
  142    H    LYS  22           HN       LYS  22   6.057   3.705   3.886
  143    HA   LYS  22           HA       LYS  22   8.427   3.255   5.361
  144   1HB   LYS  22          HB2       LYS  22   5.880   4.750   5.940
  145   2HB   LYS  22          HB1       LYS  22   7.161   4.619   7.131
  146   1HG   LYS  22          HG2       LYS  22   8.708   5.565   5.321
  147   2HG   LYS  22          HG1       LYS  22   7.243   5.952   4.442
  148   1HD   LYS  22          HD2       LYS  22   7.983   7.881   5.688
  149   2HD   LYS  22          HD1       LYS  22   6.451   7.298   6.339
  150   1HE   LYS  22          HE2       LYS  22   8.125   7.932   8.066
  151   2HE   LYS  22          HE1       LYS  22   7.565   6.272   8.203
  152   1HZ   LYS  22          HZ1       LYS  22  10.072   6.994   6.782
  153   2HZ   LYS  22          HZ2       LYS  22   9.580   5.467   7.329
  154   3HZ   LYS  22          HZ3       LYS  22  10.023   6.659   8.439
  155    H    GLN  23           HN       GLN  23   5.227   1.858   5.578
  156    HA   GLN  23           HA       GLN  23   5.768   0.655   8.171
  157   1HB   GLN  23          HB2       GLN  23   3.441   0.487   6.261
  158   2HB   GLN  23          HB1       GLN  23   3.511  -0.406   7.777
  159   1HG   GLN  23          HG2       GLN  23   3.531   1.593   9.054
  160   2HG   GLN  23          HG1       GLN  23   3.719   2.591   7.616
  161   1HE2  GLN  23          HE21      GLN  23   1.839   3.771   8.104
  162   2HE2  GLN  23          HE22      GLN  23   0.270   3.078   7.899
  163    H    THR  24           HN       THR  24   4.962  -0.618   4.912
  164    HA   THR  24           HA       THR  24   5.902  -3.246   5.789
  165    HB   THR  24           HB       THR  24   4.906  -4.064   3.668
  166    HG1  THR  24           HG1      THR  24   3.729  -2.512   2.396
  167   1HG2  THR  24          HG21      THR  24   3.080  -2.251   5.251
  168   2HG2  THR  24          HG22      THR  24   3.506  -3.913   5.666
  169   3HG2  THR  24          HG23      THR  24   2.576  -3.579   4.206
  170    H    GLY  25           HN       GLY  25   6.846  -0.718   3.542
  171   1HA   GLY  25          HA2       GLY  25   9.114  -0.606   2.718
  172   2HA   GLY  25          HA1       GLY  25   9.174  -2.359   2.715
  173    H    CYS  26           HN       CYS  26   6.156  -1.838   1.769
  174    HA   CYS  26           HA       CYS  26   6.818  -2.130  -1.026
  175   1HB   CYS  26          HB2       CYS  26   5.286  -3.721  -0.023
  176   2HB   CYS  26          HB1       CYS  26   4.225  -2.419   0.466
  177    HA   PRO  27           HA       PRO  27   5.665   2.211  -1.470
  178   1HB   PRO  27          HB2       PRO  27   6.819   2.638  -3.844
  179   2HB   PRO  27          HB1       PRO  27   7.771   2.379  -2.402
  180   1HG   PRO  27          HG2       PRO  27   7.171   0.478  -4.592
  181   2HG   PRO  27          HG1       PRO  27   8.679   0.714  -3.693
  182   1HD   PRO  27          HD2       PRO  27   6.812  -1.257  -3.211
  183   2HD   PRO  27          HD1       PRO  27   8.055  -0.749  -2.077
  184    H    ASN  28           HN       ASN  28   4.092  -0.329  -2.714
  185    HA   ASN  28           HA       ASN  28   2.544   1.328  -4.571
  186   1HB   ASN  28          HB2       ASN  28   3.853  -0.673  -5.532
  187   2HB   ASN  28          HB1       ASN  28   2.651  -1.685  -4.737
  188   1HD2  ASN  28          HD21      ASN  28   3.239  -1.265  -7.588
  189   2HD2  ASN  28          HD22      ASN  28   1.745  -0.750  -8.286
  190    H    ALA  29           HN       ALA  29   0.638   1.795  -3.802
  191    HA   ALA  29           HA       ALA  29  -0.936  -0.140  -2.333
  192   1HB   ALA  29          HB1       ALA  29  -1.114   1.034  -0.419
  193   2HB   ALA  29          HB2       ALA  29  -0.922   2.609  -1.198
  194   3HB   ALA  29          HB3       ALA  29   0.483   1.595  -0.879
  195    H    LYS  30           HN       LYS  30  -3.197   0.388  -2.251
  196    HA   LYS  30           HA       LYS  30  -4.155   2.646  -3.833
  197   1HB   LYS  30          HB2       LYS  30  -3.798   0.864  -5.517
  198   2HB   LYS  30          HB1       LYS  30  -4.838  -0.214  -4.591
  199   1HG   LYS  30          HG2       LYS  30  -6.703   1.401  -4.919
  200   2HG   LYS  30          HG1       LYS  30  -5.631   2.362  -5.940
  201   1HD   LYS  30          HD2       LYS  30  -5.383   0.418  -7.443
  202   2HD   LYS  30          HD1       LYS  30  -6.511  -0.484  -6.425
  203   1HE   LYS  30          HE2       LYS  30  -7.118   2.069  -7.919
  204   2HE   LYS  30          HE1       LYS  30  -7.627   0.447  -8.386
  205   1HZ   LYS  30          HZ1       LYS  30  -8.816   0.341  -6.192
  206   2HZ   LYS  30          HZ2       LYS  30  -9.441   1.455  -7.297
  207   3HZ   LYS  30          HZ3       LYS  30  -8.495   1.995  -6.009
  208    H    CYS  31           HN       CYS  31  -6.187   3.303  -3.136
  209    HA   CYS  31           HA       CYS  31  -7.092   1.978  -0.715
  210   1HB   CYS  31          HB2       CYS  31  -8.087   3.920  -0.121
  211   2HB   CYS  31          HB1       CYS  31  -6.852   4.557  -1.191
  212    H    ILE  32           HN       ILE  32  -8.837   0.785  -0.470
  213    HA   ILE  32           HA       ILE  32 -10.969   0.816  -2.494
  214    HB   ILE  32           HB       ILE  32 -11.164  -1.671  -2.307
  215   1HG1  ILE  32          HG12      ILE  32  -8.345  -1.583  -1.201
  216   2HG1  ILE  32          HG11      ILE  32  -9.748  -1.789  -0.175
  217   1HG2  ILE  32          HG21      ILE  32 -10.140  -0.619  -4.261
  218   2HG2  ILE  32          HG22      ILE  32  -9.416  -2.185  -3.910
  219   3HG2  ILE  32          HG23      ILE  32  -8.560  -0.703  -3.482
  220   1HD1  ILE  32          HD11      ILE  32  -9.001  -3.640  -2.400
  221   2HD1  ILE  32          HD12      ILE  32 -10.327  -3.830  -1.257
  222   3HD1  ILE  32          HD13      ILE  32  -8.660  -3.885  -0.689
  223    H    ASN  33           HN       ASN  33 -12.985   0.618  -1.602
  224    HA   ASN  33           HA       ASN  33 -14.559   0.887   0.018
  225   1HB   ASN  33          HB2       ASN  33 -13.021  -1.482   1.097
  226   2HB   ASN  33          HB1       ASN  33 -14.560  -0.953   1.772
  227   1HD2  ASN  33          HD21      ASN  33 -16.449  -1.259   0.602
  228   2HD2  ASN  33          HD22      ASN  33 -16.503  -2.308  -0.769
  229    H    LYS  34           HN       LYS  34 -12.456   2.688   0.337
  230    HA   LYS  34           HA       LYS  34 -11.419   4.076   1.757
  231   1HB   LYS  34          HB2       LYS  34 -13.701   3.204   3.504
  232   2HB   LYS  34          HB1       LYS  34 -12.510   4.354   4.052
  233   1HG   LYS  34          HG2       LYS  34 -13.081   5.780   2.078
  234   2HG   LYS  34          HG1       LYS  34 -14.377   4.640   1.721
  235   1HD   LYS  34          HD2       LYS  34 -15.265   6.528   2.939
  236   2HD   LYS  34          HD1       LYS  34 -15.360   5.078   3.938
  237   1HE   LYS  34          HE2       LYS  34 -14.620   6.993   5.238
  238   2HE   LYS  34          HE1       LYS  34 -13.345   5.793   5.154
  239   1HZ   LYS  34          HZ1       LYS  34 -13.500   8.185   3.393
  240   2HZ   LYS  34          HZ2       LYS  34 -12.206   7.101   3.527
  241   3HZ   LYS  34          HZ3       LYS  34 -12.597   8.110   4.821
  242    H    SER  35           HN       SER  35 -10.114   1.763   1.491
  243    HA   SER  35           HA       SER  35  -8.581   1.869   3.919
  244   1HB   SER  35          HB2       SER  35  -8.410  -0.635   4.155
  245   2HB   SER  35          HB1       SER  35  -9.981   0.035   4.589
  246    HG   SER  35           HG       SER  35 -10.023  -1.879   3.225
  247    H    CYS  36           HN       CYS  36  -6.531   2.021   3.324
  248    HA   CYS  36           HA       CYS  36  -5.814   1.716   0.572
  249   1HB   CYS  36          HB2       CYS  36  -4.924   3.504   2.027
  250   2HB   CYS  36          HB1       CYS  36  -4.041   2.292   2.948
  251    H    LYS  37           HN       LYS  37  -5.415  -0.204  -0.309
  252    HA   LYS  37           HA       LYS  37  -4.363  -2.393   1.318
  253   1HB   LYS  37          HB2       LYS  37  -4.931  -3.829  -0.457
  254   2HB   LYS  37          HB1       LYS  37  -6.259  -2.681  -0.350
  255   1HG   LYS  37          HG2       LYS  37  -5.082  -1.417  -2.232
  256   2HG   LYS  37          HG1       LYS  37  -4.071  -2.831  -2.412
  257   1HD   LYS  37          HD2       LYS  37  -7.066  -2.739  -2.673
  258   2HD   LYS  37          HD1       LYS  37  -5.914  -2.864  -3.992
  259   1HE   LYS  37          HE2       LYS  37  -6.246  -4.920  -1.799
  260   2HE   LYS  37          HE1       LYS  37  -6.953  -5.020  -3.401
  261   1HZ   LYS  37          HZ1       LYS  37  -4.054  -4.974  -2.784
  262   2HZ   LYS  37          HZ2       LYS  37  -4.713  -5.000  -4.343
  263   3HZ   LYS  37          HZ3       LYS  37  -4.954  -6.309  -3.300
  264    H    CYS  38           HN       CYS  38  -2.320  -3.134   1.166
  265    HA   CYS  38           HA       CYS  38  -0.476  -1.692  -0.643
  266   1HB   CYS  38          HB2       CYS  38  -0.043  -3.149   1.969
  267   2HB   CYS  38          HB1       CYS  38   1.286  -2.658   0.928
  268    H    TYR  39           HN       TYR  39   0.914  -2.872  -1.961
  269    HA   TYR  39           HA       TYR  39  -0.277  -5.310  -2.882
  270   1HB   TYR  39          HB2       TYR  39   2.091  -3.686  -3.772
  271   2HB   TYR  39          HB1       TYR  39   1.736  -5.241  -4.506
  272    HD1  TYR  39           HD1      TYR  39  -0.751  -2.683  -3.386
  273    HD2  TYR  39           HD2      TYR  39   1.184  -4.564  -6.682
  274    HE1  TYR  39           HE1      TYR  39  -2.309  -1.592  -4.904
  275    HE2  TYR  39           HE2      TYR  39  -0.379  -3.461  -8.216
  276    HH   TYR  39           HH       TYR  39  -1.941  -1.013  -7.813
  277    H    GLY  40           HN       GLY  40   1.751  -4.858  -0.350
  278   1HA   GLY  40          HA2       GLY  40   3.053  -6.206   0.887
  279   2HA   GLY  40          HA1       GLY  40   2.278  -7.546   0.052
  280    H    CYS  41           HN       CYS  41   4.249  -5.027  -1.318
  281    HA   CYS  41           HA       CYS  41   5.633  -6.348  -3.171
  282   1HB   CYS  41          HB2       CYS  41   6.792  -4.149  -1.463
  283   2HB   CYS  41          HB1       CYS  41   7.388  -4.643  -3.028
  Start of MODEL   24
    1   1H    TRP   1           HT1      TRP   1   3.816   5.028  11.995
    2   2H    TRP   1           HT2      TRP   1   4.303   3.555  12.691
    3   3H    TRP   1           HT3      TRP   1   3.064   3.560  11.504
    4    HA   TRP   1           HA       TRP   1   5.938   4.140  11.184
    5   1HB   TRP   1          HB2       TRP   1   4.356   2.204   9.576
    6   2HB   TRP   1          HB1       TRP   1   6.054   2.170   9.944
    7    HD1  TRP   1           HD1      TRP   1   2.792   0.716  10.950
    8    HE1  TRP   1           HE1      TRP   1   3.057  -0.733  13.056
    9    HE3  TRP   1           HE3      TRP   1   7.520   2.121  12.313
   10    HZ2  TRP   1           HZ2      TRP   1   5.008  -1.219  15.035
   11    HZ3  TRP   1           HZ3      TRP   1   8.508   1.115  14.328
   12    HH2  TRP   1           HH2      TRP   1   7.279  -0.519  15.660
   13    H    CYS   2           HN       CYS   2   2.813   5.021  10.237
   14    HA   CYS   2           HA       CYS   2   3.307   5.671   7.516
   15   1HB   CYS   2          HB2       CYS   2   1.144   7.132   7.977
   16   2HB   CYS   2          HB1       CYS   2   1.075   5.386   7.910
   17    H    SER   3           HN       SER   3   2.487   8.221   7.092
   18    HA   SER   3           HA       SER   3   4.796   9.717   8.045
   19   1HB   SER   3          HB2       SER   3   3.927  11.403   6.333
   20   2HB   SER   3          HB1       SER   3   4.467   9.843   5.716
   21    HG   SER   3           HG       SER   3   2.377  10.662   4.918
   22    H    THR   4           HN       THR   4   1.486  10.859   7.443
   23    HA   THR   4           HA       THR   4   1.706  12.716   9.646
   24    HB   THR   4           HB       THR   4   0.622  13.446   7.570
   25    HG1  THR   4           HG1      THR   4  -0.991  14.508   8.588
   26   1HG2  THR   4          HG21      THR   4  -1.594  12.588   6.948
   27   2HG2  THR   4          HG22      THR   4  -1.453  11.330   8.168
   28   3HG2  THR   4          HG23      THR   4  -0.346  11.360   6.798
   29    H    CYS   5           HN       CYS   5   0.219   9.612   9.022
   30    HA   CYS   5           HA       CYS   5  -1.018   8.229  10.298
   31   1HB   CYS   5          HB2       CYS   5   0.805   9.486  12.354
   32   2HB   CYS   5          HB1       CYS   5  -0.137   8.024  12.648
   33    H    LEU   6           HN       LEU   6  -2.726   9.948   9.729
   34    HA   LEU   6           HA       LEU   6  -4.237  10.350  12.232
   35   1HB   LEU   6          HB2       LEU   6  -4.181  12.221   9.851
   36   2HB   LEU   6          HB1       LEU   6  -5.317  12.335  11.186
   37    HG   LEU   6           HG       LEU   6  -2.319  12.650  11.431
   38   1HD1  LEU   6          HD11      LEU   6  -3.326  14.474  10.150
   39   2HD1  LEU   6          HD12      LEU   6  -2.784  15.025  11.734
   40   3HD1  LEU   6          HD13      LEU   6  -4.501  14.738  11.440
   41   1HD2  LEU   6          HD21      LEU   6  -3.328  11.826  13.478
   42   2HD2  LEU   6          HD22      LEU   6  -4.556  13.091  13.413
   43   3HD2  LEU   6          HD23      LEU   6  -2.863  13.512  13.674
   44    H    ASP   7           HN       ASP   7  -4.696  10.629   8.721
   45    HA   ASP   7           HA       ASP   7  -6.393   8.255   8.765
   46   1HB   ASP   7          HB2       ASP   7  -8.015  10.079   8.936
   47   2HB   ASP   7          HB1       ASP   7  -7.283  10.892   7.556
   48    H    LEU   8           HN       LEU   8  -5.980   6.991   7.029
   49    HA   LEU   8           HA       LEU   8  -4.461   8.206   4.794
   50   1HB   LEU   8          HB2       LEU   8  -4.106   5.500   6.063
   51   2HB   LEU   8          HB1       LEU   8  -3.459   5.913   4.487
   52    HG   LEU   8           HG       LEU   8  -2.150   7.759   5.608
   53   1HD1  LEU   8          HD11      LEU   8  -1.751   7.097   8.134
   54   2HD1  LEU   8          HD12      LEU   8  -3.415   6.528   8.012
   55   3HD1  LEU   8          HD13      LEU   8  -3.022   8.208   7.660
   56   1HD2  LEU   8          HD21      LEU   8  -1.596   4.925   6.483
   57   2HD2  LEU   8          HD22      LEU   8  -0.423   6.242   6.412
   58   3HD2  LEU   8          HD23      LEU   8  -1.154   5.634   4.929
   59    H    ALA   9           HN       ALA   9  -7.288   7.068   5.677
   60    HA   ALA   9           HA       ALA   9  -7.985   5.021   3.999
   61   1HB   ALA   9          HB1       ALA   9  -9.350   5.519   5.845
   62   2HB   ALA   9          HB2       ALA   9 -10.338   5.864   4.432
   63   3HB   ALA   9          HB3       ALA   9  -9.592   7.180   5.319
   64    H    CYS  10           HN       CYS  10  -7.045   5.530   1.972
   65    HA   CYS  10           HA       CYS  10  -7.024   6.228  -0.155
   66   1HB   CYS  10          HB2       CYS  10  -9.909   6.911   0.453
   67   2HB   CYS  10          HB1       CYS  10  -9.194   7.083  -1.137
   68    H    THR  11           HN       THR  11  -5.731   7.832   1.464
   69    HA   THR  11           HA       THR  11  -6.573  10.601   1.113
   70    HB   THR  11           HB       THR  11  -4.165  11.017   2.015
   71    HG1  THR  11           HG1      THR  11  -4.353   8.254   2.714
   72   1HG2  THR  11          HG21      THR  11  -4.842  10.713   4.244
   73   2HG2  THR  11          HG22      THR  11  -5.988   9.446   3.815
   74   3HG2  THR  11          HG23      THR  11  -6.298  11.117   3.343
   75    H    GLY  12           HN       GLY  12  -6.014   8.704  -1.205
   76   1HA   GLY  12          HA2       GLY  12  -5.394   9.379  -3.361
   77   2HA   GLY  12          HA1       GLY  12  -4.147  10.410  -2.677
   78    H    SER  13           HN       SER  13  -4.352   7.857  -4.506
   79    HA   SER  13           HA       SER  13  -2.889   5.814  -3.249
   80   1HB   SER  13          HB2       SER  13  -2.826   6.575  -6.184
   81   2HB   SER  13          HB1       SER  13  -2.414   5.005  -5.488
   82    HG   SER  13           HG       SER  13  -4.526   4.971  -6.275
   83    H    LYS  14           HN       LYS  14  -1.845   8.606  -5.158
   84    HA   LYS  14           HA       LYS  14   0.912   8.102  -5.080
   85   1HB   LYS  14          HB2       LYS  14   1.193  10.459  -5.713
   86   2HB   LYS  14          HB1       LYS  14   0.012   9.607  -6.699
   87   1HG   LYS  14          HG2       LYS  14  -1.802  10.612  -5.364
   88   2HG   LYS  14          HG1       LYS  14  -0.594  11.499  -4.435
   89   1HD   LYS  14          HD2       LYS  14   0.140  12.656  -6.434
   90   2HD   LYS  14          HD1       LYS  14  -0.979  11.714  -7.423
   91   1HE   LYS  14          HE2       LYS  14  -1.867  13.928  -6.993
   92   2HE   LYS  14          HE1       LYS  14  -2.867  12.701  -6.219
   93   1HZ   LYS  14          HZ1       LYS  14  -1.909  13.220  -4.116
   94   2HZ   LYS  14          HZ2       LYS  14  -2.409  14.668  -4.825
   95   3HZ   LYS  14          HZ3       LYS  14  -0.769  14.264  -4.809
   96    H    ASP  15           HN       ASP  15  -1.180   9.125  -2.609
   97    HA   ASP  15           HA       ASP  15   0.902  10.377  -1.025
   98   1HB   ASP  15          HB2       ASP  15  -1.324  11.298  -0.787
   99   2HB   ASP  15          HB1       ASP  15  -1.982   9.717  -0.394
  100    H    CYS  16           HN       CYS  16  -1.299   7.609  -0.737
  101    HA   CYS  16           HA       CYS  16  -0.092   6.627   1.583
  102   1HB   CYS  16          HB2       CYS  16  -2.431   6.203   0.825
  103   2HB   CYS  16          HB1       CYS  16  -1.797   5.056  -0.351
  104    H    TYR  17           HN       TYR  17   0.941   6.263  -1.695
  105    HA   TYR  17           HA       TYR  17   2.252   3.800  -1.657
  106   1HB   TYR  17          HB2       TYR  17   3.087   6.440  -2.873
  107   2HB   TYR  17          HB1       TYR  17   3.981   4.950  -3.142
  108    HD1  TYR  17           HD1      TYR  17   2.489   6.872  -5.121
  109    HD2  TYR  17           HD2      TYR  17   1.540   3.095  -3.401
  110    HE1  TYR  17           HE1      TYR  17   1.062   6.351  -7.050
  111    HE2  TYR  17           HE2      TYR  17   0.132   2.575  -5.331
  112    HH   TYR  17           HH       TYR  17  -1.166   4.504  -7.259
  113    H    ALA  18           HN       ALA  18   3.249   6.925  -0.352
  114    HA   ALA  18           HA       ALA  18   5.841   6.110   0.390
  115   1HB   ALA  18          HB1       ALA  18   5.350   8.213   2.065
  116   2HB   ALA  18          HB2       ALA  18   4.185   8.496   0.773
  117   3HB   ALA  18          HB3       ALA  18   5.893   8.327   0.395
  118    HA   PRO  19           HA       PRO  19   4.164   5.581   4.960
  119   1HB   PRO  19          HB2       PRO  19   1.276   5.080   4.395
  120   2HB   PRO  19          HB1       PRO  19   2.043   5.923   5.746
  121   1HG   PRO  19          HG2       PRO  19   0.812   7.277   3.825
  122   2HG   PRO  19          HG1       PRO  19   2.322   7.879   4.537
  123   1HD   PRO  19          HD2       PRO  19   1.901   6.521   1.936
  124   2HD   PRO  19          HD1       PRO  19   2.930   7.867   2.325
  125    H    CYS  20           HN       CYS  20   2.474   3.870   2.317
  126    HA   CYS  20           HA       CYS  20   2.400   1.350   3.610
  127   1HB   CYS  20          HB2       CYS  20   1.021   1.790   1.657
  128   2HB   CYS  20          HB1       CYS  20   2.454   2.019   0.661
  129    H    ARG  21           HN       ARG  21   4.779   2.887   1.468
  130    HA   ARG  21           HA       ARG  21   6.599   0.696   1.421
  131   1HB   ARG  21          HB2       ARG  21   6.723   2.457  -0.232
  132   2HB   ARG  21          HB1       ARG  21   7.024   3.656   0.994
  133   1HG   ARG  21          HG2       ARG  21   9.179   2.763   1.459
  134   2HG   ARG  21          HG1       ARG  21   8.877   1.352   0.441
  135   1HD   ARG  21          HD2       ARG  21  10.318   3.015  -0.644
  136   2HD   ARG  21          HD1       ARG  21   8.822   2.732  -1.519
  137    HE   ARG  21           HE       ARG  21   8.732   4.985   0.296
  138   1HH1  ARG  21          HH11      ARG  21   9.580   3.942  -2.957
  139   2HH1  ARG  21          HH12      ARG  21   9.372   5.512  -3.631
  140   1HH2  ARG  21          HH21      ARG  21   8.478   7.052  -0.609
  141   2HH2  ARG  21          HH22      ARG  21   8.752   7.292  -2.303
  142    H    LYS  22           HN       LYS  22   6.139   3.471   3.542
  143    HA   LYS  22           HA       LYS  22   8.479   3.173   5.095
  144   1HB   LYS  22          HB2       LYS  22   5.777   4.356   5.743
  145   2HB   LYS  22          HB1       LYS  22   7.150   4.438   6.817
  146   1HG   LYS  22          HG2       LYS  22   8.409   5.677   5.126
  147   2HG   LYS  22          HG1       LYS  22   7.035   5.595   4.049
  148   1HD   LYS  22          HD2       LYS  22   6.723   7.676   4.942
  149   2HD   LYS  22          HD1       LYS  22   5.740   6.716   6.042
  150   1HE   LYS  22          HE2       LYS  22   8.592   7.590   6.534
  151   2HE   LYS  22          HE1       LYS  22   7.158   8.360   7.202
  152   1HZ   LYS  22          HZ1       LYS  22   7.873   6.995   8.888
  153   2HZ   LYS  22          HZ2       LYS  22   8.319   5.737   7.858
  154   3HZ   LYS  22          HZ3       LYS  22   6.681   6.041   8.168
  155    H    GLN  23           HN       GLN  23   5.257   1.725   5.342
  156    HA   GLN  23           HA       GLN  23   5.846   0.475   7.878
  157   1HB   GLN  23          HB2       GLN  23   3.515   0.114   5.983
  158   2HB   GLN  23          HB1       GLN  23   3.647  -0.576   7.597
  159   1HG   GLN  23          HG2       GLN  23   3.735   1.673   8.508
  160   2HG   GLN  23          HG1       GLN  23   3.540   2.361   6.936
  161   1HE2  GLN  23          HE21      GLN  23   1.902  -0.533   8.135
  162   2HE2  GLN  23          HE22      GLN  23   0.345   0.177   8.135
  163    H    THR  24           HN       THR  24   5.237  -0.768   4.568
  164    HA   THR  24           HA       THR  24   6.027  -3.426   5.488
  165    HB   THR  24           HB       THR  24   5.220  -4.185   3.330
  166    HG1  THR  24           HG1      THR  24   4.611  -2.802   1.739
  167   1HG2  THR  24          HG21      THR  24   3.314  -2.281   4.626
  168   2HG2  THR  24          HG22      THR  24   3.604  -3.954   5.107
  169   3HG2  THR  24          HG23      THR  24   2.874  -3.599   3.541
  170    H    GLY  25           HN       GLY  25   7.300  -0.883   3.426
  171   1HA   GLY  25          HA2       GLY  25   9.645  -0.819   2.913
  172   2HA   GLY  25          HA1       GLY  25   9.671  -2.573   2.869
  173    H    CYS  26           HN       CYS  26   6.872  -2.151   1.464
  174    HA   CYS  26           HA       CYS  26   8.013  -1.761  -1.208
  175   1HB   CYS  26          HB2       CYS  26   5.695  -3.483  -0.369
  176   2HB   CYS  26          HB1       CYS  26   6.241  -3.255  -2.020
  177    HA   PRO  27           HA       PRO  27   5.184   1.692  -1.238
  178   1HB   PRO  27          HB2       PRO  27   5.837   2.711  -3.623
  179   2HB   PRO  27          HB1       PRO  27   6.999   2.684  -2.306
  180   1HG   PRO  27          HG2       PRO  27   6.752   0.812  -4.625
  181   2HG   PRO  27          HG1       PRO  27   8.208   1.572  -3.956
  182   1HD   PRO  27          HD2       PRO  27   7.409  -0.994  -3.377
  183   2HD   PRO  27          HD1       PRO  27   8.414   0.006  -2.307
  184    H    ASN  28           HN       ASN  28   4.385  -1.111  -2.419
  185    HA   ASN  28           HA       ASN  28   2.610  -0.293  -4.560
  186   1HB   ASN  28          HB2       ASN  28   3.209  -2.986  -3.327
  187   2HB   ASN  28          HB1       ASN  28   2.065  -2.738  -4.630
  188   1HD2  ASN  28          HD21      ASN  28   2.822  -1.986  -6.666
  189   2HD2  ASN  28          HD22      ASN  28   4.463  -2.280  -7.119
  190    H    ALA  29           HN       ALA  29   1.092   0.993  -3.563
  191    HA   ALA  29           HA       ALA  29  -0.790  -0.431  -1.796
  192   1HB   ALA  29          HB1       ALA  29  -0.257   1.036  -0.211
  193   2HB   ALA  29          HB2       ALA  29  -1.143   2.222  -1.159
  194   3HB   ALA  29          HB3       ALA  29   0.605   2.086  -1.329
  195    H    LYS  30           HN       LYS  30  -2.997   0.565  -1.850
  196    HA   LYS  30           HA       LYS  30  -3.656   2.217  -4.109
  197   1HB   LYS  30          HB2       LYS  30  -3.426  -0.148  -5.060
  198   2HB   LYS  30          HB1       LYS  30  -4.848  -0.570  -4.111
  199   1HG   LYS  30          HG2       LYS  30  -6.054   1.283  -5.306
  200   2HG   LYS  30          HG1       LYS  30  -4.639   1.452  -6.336
  201   1HD   LYS  30          HD2       LYS  30  -4.945  -0.897  -7.014
  202   2HD   LYS  30          HD1       LYS  30  -6.396  -0.983  -6.017
  203   1HE   LYS  30          HE2       LYS  30  -5.921   0.829  -8.384
  204   2HE   LYS  30          HE1       LYS  30  -6.971  -0.585  -8.342
  205   1HZ   LYS  30          HZ1       LYS  30  -8.345   1.282  -8.088
  206   2HZ   LYS  30          HZ2       LYS  30  -7.344   1.993  -6.931
  207   3HZ   LYS  30          HZ3       LYS  30  -8.239   0.608  -6.541
  208    H    CYS  31           HN       CYS  31  -5.957   2.732  -4.176
  209    HA   CYS  31           HA       CYS  31  -7.128   2.716  -1.495
  210   1HB   CYS  31          HB2       CYS  31  -7.041   4.891  -2.321
  211   2HB   CYS  31          HB1       CYS  31  -7.477   4.405  -3.955
  212    H    ILE  32           HN       ILE  32  -8.633   1.235  -1.042
  213    HA   ILE  32           HA       ILE  32 -10.746   0.739  -3.002
  214    HB   ILE  32           HB       ILE  32 -10.860  -1.657  -2.553
  215   1HG1  ILE  32          HG12      ILE  32  -8.177  -1.420  -1.202
  216   2HG1  ILE  32          HG11      ILE  32  -9.666  -1.550  -0.312
  217   1HG2  ILE  32          HG21      ILE  32  -9.653  -0.875  -4.526
  218   2HG2  ILE  32          HG22      ILE  32  -8.994  -2.389  -3.913
  219   3HG2  ILE  32          HG23      ILE  32  -8.148  -0.871  -3.605
  220   1HD1  ILE  32          HD11      ILE  32  -8.535  -3.606  -2.160
  221   2HD1  ILE  32          HD12      ILE  32 -10.131  -3.694  -1.413
  222   3HD1  ILE  32          HD13      ILE  32  -8.683  -3.691  -0.407
  223    H    ASN  33           HN       ASN  33 -12.725   0.494  -2.093
  224    HA   ASN  33           HA       ASN  33 -14.363   0.771  -0.567
  225   1HB   ASN  33          HB2       ASN  33 -13.375  -1.598  -0.133
  226   2HB   ASN  33          HB1       ASN  33 -12.709  -0.899   1.338
  227   1HD2  ASN  33          HD21      ASN  33 -15.602  -1.850  -0.343
  228   2HD2  ASN  33          HD22      ASN  33 -16.654  -1.739   1.023
  229    H    LYS  34           HN       LYS  34 -12.641   2.917  -0.579
  230    HA   LYS  34           HA       LYS  34 -11.949   4.722   0.560
  231   1HB   LYS  34          HB2       LYS  34 -14.112   3.757   2.391
  232   2HB   LYS  34          HB1       LYS  34 -13.211   5.231   2.725
  233   1HG   LYS  34          HG2       LYS  34 -13.897   6.076   0.488
  234   2HG   LYS  34          HG1       LYS  34 -14.938   4.655   0.338
  235   1HD   LYS  34          HD2       LYS  34 -16.162   5.313   2.331
  236   2HD   LYS  34          HD1       LYS  34 -15.090   6.700   2.556
  237   1HE   LYS  34          HE2       LYS  34 -17.182   7.384   1.531
  238   2HE   LYS  34          HE1       LYS  34 -15.838   7.623   0.416
  239   1HZ   LYS  34          HZ1       LYS  34 -16.467   5.707  -0.807
  240   2HZ   LYS  34          HZ2       LYS  34 -17.870   6.615  -0.574
  241   3HZ   LYS  34          HZ3       LYS  34 -17.604   5.230   0.356
  242    H    SER  35           HN       SER  35 -10.368   2.396   0.920
  243    HA   SER  35           HA       SER  35  -8.974   3.238   3.330
  244   1HB   SER  35          HB2       SER  35 -10.575   1.292   3.898
  245   2HB   SER  35          HB1       SER  35  -9.492   0.282   2.941
  246    HG   SER  35           HG       SER  35  -8.998   0.359   5.217
  247    H    CYS  36           HN       CYS  36  -6.758   2.762   3.247
  248    HA   CYS  36           HA       CYS  36  -5.794   2.175   0.551
  249   1HB   CYS  36          HB2       CYS  36  -4.857   4.116   1.669
  250   2HB   CYS  36          HB1       CYS  36  -4.314   3.112   3.012
  251    H    LYS  37           HN       LYS  37  -4.953   0.261   0.004
  252    HA   LYS  37           HA       LYS  37  -4.173  -1.591   2.171
  253   1HB   LYS  37          HB2       LYS  37  -4.861  -3.441   0.668
  254   2HB   LYS  37          HB1       LYS  37  -6.171  -2.435   1.209
  255   1HG   LYS  37          HG2       LYS  37  -6.627  -2.863  -1.025
  256   2HG   LYS  37          HG1       LYS  37  -6.057  -1.210  -0.996
  257   1HD   LYS  37          HD2       LYS  37  -5.174  -2.479  -2.883
  258   2HD   LYS  37          HD1       LYS  37  -3.885  -1.961  -1.840
  259   1HE   LYS  37          HE2       LYS  37  -3.522  -4.234  -2.548
  260   2HE   LYS  37          HE1       LYS  37  -3.837  -4.227  -0.825
  261   1HZ   LYS  37          HZ1       LYS  37  -5.875  -4.811  -2.906
  262   2HZ   LYS  37          HZ2       LYS  37  -6.070  -4.953  -1.230
  263   3HZ   LYS  37          HZ3       LYS  37  -5.012  -5.984  -2.047
  264    H    CYS  38           HN       CYS  38  -2.436  -2.995   1.719
  265    HA   CYS  38           HA       CYS  38  -0.635  -2.004  -0.410
  266   1HB   CYS  38          HB2       CYS  38  -0.010  -3.401   2.193
  267   2HB   CYS  38          HB1       CYS  38   1.183  -3.027   0.954
  268    H    TYR  39           HN       TYR  39   0.445  -3.554  -1.688
  269    HA   TYR  39           HA       TYR  39  -1.214  -5.843  -2.249
  270   1HB   TYR  39          HB2       TYR  39   1.306  -4.753  -3.496
  271   2HB   TYR  39          HB1       TYR  39   0.582  -6.261  -4.040
  272    HD1  TYR  39           HD1      TYR  39   0.182  -2.626  -3.955
  273    HD2  TYR  39           HD2      TYR  39  -1.529  -6.277  -5.244
  274    HE1  TYR  39           HE1      TYR  39  -1.294  -1.368  -5.436
  275    HE2  TYR  39           HE2      TYR  39  -3.032  -5.038  -6.740
  276    HH   TYR  39           HH       TYR  39  -4.009  -2.699  -6.863
  277    H    GLY  40           HN       GLY  40   1.028  -5.488   0.100
  278   1HA   GLY  40          HA2       GLY  40   1.489  -7.326   1.481
  279   2HA   GLY  40          HA1       GLY  40   1.617  -8.365   0.076
  280    H    CYS  41           HN       CYS  41   3.413  -7.346   2.417
  281    HA   CYS  41           HA       CYS  41   5.869  -7.678   1.045
  282   1HB   CYS  41          HB2       CYS  41   5.268  -5.319   0.390
  283   2HB   CYS  41          HB1       CYS  41   5.377  -4.887   2.047
  Start of MODEL   25
    1   1H    TRP   1           HT1      TRP   1   7.657   1.902  11.145
    2   2H    TRP   1           HT2      TRP   1   7.013   2.199   9.579
    3   3H    TRP   1           HT3      TRP   1   7.047   0.605  10.201
    4    HA   TRP   1           HA       TRP   1   4.868   1.469  10.294
    5   1HB   TRP   1          HB2       TRP   1   6.236   1.254  12.983
    6   2HB   TRP   1          HB1       TRP   1   4.487   1.271  12.778
    7    HD1  TRP   1           HD1      TRP   1   4.066  -0.716  10.440
    8    HE1  TRP   1           HE1      TRP   1   4.586  -3.218  10.730
    9    HE3  TRP   1           HE3      TRP   1   7.310  -0.413  14.373
   10    HZ2  TRP   1           HZ2      TRP   1   6.158  -4.849  12.412
   11    HZ3  TRP   1           HZ3      TRP   1   8.274  -2.492  15.269
   12    HH2  TRP   1           HH2      TRP   1   7.708  -4.664  14.307
   13    H    CYS   2           HN       CYS   2   4.151   3.426   9.736
   14    HA   CYS   2           HA       CYS   2   5.056   5.803  11.195
   15   1HB   CYS   2          HB2       CYS   2   3.692   7.019   9.451
   16   2HB   CYS   2          HB1       CYS   2   5.079   6.114   8.882
   17    H    SER   3           HN       SER   3   3.970   6.442  12.938
   18    HA   SER   3           HA       SER   3   1.396   5.377  13.609
   19   1HB   SER   3          HB2       SER   3   2.853   7.689  14.917
   20   2HB   SER   3          HB1       SER   3   1.582   6.685  15.621
   21    HG   SER   3           HG       SER   3   3.821   6.146  16.195
   22    H    THR   4           HN       THR   4   2.502   8.195  11.930
   23    HA   THR   4           HA       THR   4  -0.011   9.625  12.191
   24    HB   THR   4           HB       THR   4   2.143  10.873  12.025
   25    HG1  THR   4           HG1      THR   4   0.387  12.050  11.383
   26   1HG2  THR   4          HG21      THR   4   3.366  10.999   9.982
   27   2HG2  THR   4          HG22      THR   4   2.207   9.975   9.146
   28   3HG2  THR   4          HG23      THR   4   3.236   9.298  10.406
   29    H    CYS   5           HN       CYS   5   0.171   6.882  10.923
   30    HA   CYS   5           HA       CYS   5  -1.026   7.572   8.335
   31   1HB   CYS   5          HB2       CYS   5   0.401   5.060   9.202
   32   2HB   CYS   5          HB1       CYS   5  -0.449   5.240   7.681
   33    H    LEU   6           HN       LEU   6  -2.664   8.034  10.220
   34    HA   LEU   6           HA       LEU   6  -4.442   5.672  10.340
   35   1HB   LEU   6          HB2       LEU   6  -3.704   6.521  12.562
   36   2HB   LEU   6          HB1       LEU   6  -4.403   8.080  12.168
   37    HG   LEU   6           HG       LEU   6  -6.640   6.989  12.006
   38   1HD1  LEU   6          HD11      LEU   6  -5.950   4.725  11.483
   39   2HD1  LEU   6          HD12      LEU   6  -6.911   4.737  12.956
   40   3HD1  LEU   6          HD13      LEU   6  -5.157   4.577  13.051
   41   1HD2  LEU   6          HD21      LEU   6  -5.211   6.612  14.636
   42   2HD2  LEU   6          HD22      LEU   6  -6.956   6.734  14.405
   43   3HD2  LEU   6          HD23      LEU   6  -5.923   8.117  14.051
   44    H    ASP   7           HN       ASP   7  -4.113   9.124   9.734
   45    HA   ASP   7           HA       ASP   7  -6.822   9.330   8.674
   46   1HB   ASP   7          HB2       ASP   7  -4.589  11.274   9.219
   47   2HB   ASP   7          HB1       ASP   7  -5.908  11.734   8.150
   48    H    LEU   8           HN       LEU   8  -5.765   7.494   7.152
   49    HA   LEU   8           HA       LEU   8  -4.794   8.897   4.746
   50   1HB   LEU   8          HB2       LEU   8  -3.839   6.647   4.107
   51   2HB   LEU   8          HB1       LEU   8  -3.048   7.533   5.373
   52    HG   LEU   8           HG       LEU   8  -4.184   6.086   7.058
   53   1HD1  LEU   8          HD11      LEU   8  -5.130   4.615   4.607
   54   2HD1  LEU   8          HD12      LEU   8  -6.099   5.285   5.915
   55   3HD1  LEU   8          HD13      LEU   8  -5.071   3.893   6.212
   56   1HD2  LEU   8          HD21      LEU   8  -2.718   4.213   6.757
   57   2HD2  LEU   8          HD22      LEU   8  -1.893   5.688   6.259
   58   3HD2  LEU   8          HD23      LEU   8  -2.531   4.586   5.042
   59    H    ALA   9           HN       ALA   9  -7.536   8.256   5.799
   60    HA   ALA   9           HA       ALA   9  -8.769   6.224   4.454
   61   1HB   ALA   9          HB1       ALA   9  -9.965   8.891   5.150
   62   2HB   ALA   9          HB2       ALA   9  -9.773   7.529   6.255
   63   3HB   ALA   9          HB3       ALA   9 -10.830   7.390   4.865
   64    H    CYS  10           HN       CYS  10  -7.841   6.128   2.345
   65    HA   CYS  10           HA       CYS  10  -7.551   6.577   0.197
   66   1HB   CYS  10          HB2       CYS  10 -10.393   7.280   0.634
   67   2HB   CYS  10          HB1       CYS  10  -9.692   7.931  -0.841
   68    H    THR  11           HN       THR  11  -6.020   8.002   1.434
   69    HA   THR  11           HA       THR  11  -6.363  10.848   1.061
   70    HB   THR  11           HB       THR  11  -5.061   9.970   2.957
   71    HG1  THR  11           HG1      THR  11  -3.412  11.424   1.128
   72   1HG2  THR  11          HG21      THR  11  -3.317   8.767   0.813
   73   2HG2  THR  11          HG22      THR  11  -4.088   7.988   2.179
   74   3HG2  THR  11          HG23      THR  11  -2.743   9.073   2.443
   75    H    GLY  12           HN       GLY  12  -6.002   8.515  -1.142
   76   1HA   GLY  12          HA2       GLY  12  -5.664   9.032  -3.413
   77   2HA   GLY  12          HA1       GLY  12  -4.403  10.171  -2.962
   78    H    SER  13           HN       SER  13  -4.540   7.596  -4.646
   79    HA   SER  13           HA       SER  13  -3.076   5.574  -3.426
   80   1HB   SER  13          HB2       SER  13  -2.319   5.081  -5.856
   81   2HB   SER  13          HB1       SER  13  -4.043   5.054  -5.493
   82    HG   SER  13           HG       SER  13  -3.373   6.270  -7.413
   83    H    LYS  14           HN       LYS  14  -1.883   8.409  -5.230
   84    HA   LYS  14           HA       LYS  14   0.839   7.731  -5.062
   85   1HB   LYS  14          HB2       LYS  14   1.336   9.932  -5.795
   86   2HB   LYS  14          HB1       LYS  14  -0.108   9.385  -6.634
   87   1HG   LYS  14          HG2       LYS  14  -1.506  10.714  -5.145
   88   2HG   LYS  14          HG1       LYS  14  -0.087  11.221  -4.239
   89   1HD   LYS  14          HD2       LYS  14  -0.659  12.990  -5.718
   90   2HD   LYS  14          HD1       LYS  14   0.825  12.248  -6.314
   91   1HE   LYS  14          HE2       LYS  14  -0.595  12.657  -8.179
   92   2HE   LYS  14          HE1       LYS  14  -0.588  10.921  -7.920
   93   1HZ   LYS  14          HZ1       LYS  14  -2.806  11.834  -8.357
   94   2HZ   LYS  14          HZ2       LYS  14  -2.709  12.769  -6.953
   95   3HZ   LYS  14          HZ3       LYS  14  -2.721  11.080  -6.849
   96    H    ASP  15           HN       ASP  15  -1.319   9.038  -2.713
   97    HA   ASP  15           HA       ASP  15   0.841  10.009  -1.019
   98   1HB   ASP  15          HB2       ASP  15  -1.466  11.119  -1.201
   99   2HB   ASP  15          HB1       ASP  15  -2.070   9.788  -0.240
  100    H    CYS  16           HN       CYS  16  -1.521   7.381  -1.207
  101    HA   CYS  16           HA       CYS  16  -0.990   6.145   1.253
  102   1HB   CYS  16          HB2       CYS  16  -1.897   4.958  -1.371
  103   2HB   CYS  16          HB1       CYS  16  -1.885   4.082   0.135
  104    H    TYR  17           HN       TYR  17   0.776   6.154  -1.753
  105    HA   TYR  17           HA       TYR  17   2.363   3.885  -1.470
  106   1HB   TYR  17          HB2       TYR  17   3.005   6.606  -2.622
  107   2HB   TYR  17          HB1       TYR  17   4.075   5.216  -2.783
  108    HD1  TYR  17           HD1      TYR  17   1.461   3.328  -3.056
  109    HD2  TYR  17           HD2      TYR  17   2.972   6.745  -5.104
  110    HE1  TYR  17           HE1      TYR  17   0.309   2.628  -5.089
  111    HE2  TYR  17           HE2      TYR  17   1.796   6.030  -7.139
  112    HH   TYR  17           HH       TYR  17  -0.554   4.262  -7.389
  113    H    ALA  18           HN       ALA  18   2.659   7.026   0.097
  114    HA   ALA  18           HA       ALA  18   5.263   6.580   1.104
  115   1HB   ALA  18          HB1       ALA  18   4.896   8.770   1.218
  116   2HB   ALA  18          HB2       ALA  18   4.291   8.418   2.833
  117   3HB   ALA  18          HB3       ALA  18   3.168   8.607   1.488
  118    HA   PRO  19           HA       PRO  19   3.076   5.299   5.337
  119   1HB   PRO  19          HB2       PRO  19   0.502   4.381   4.121
  120   2HB   PRO  19          HB1       PRO  19   0.787   5.056   5.707
  121   1HG   PRO  19          HG2       PRO  19  -0.301   6.522   3.801
  122   2HG   PRO  19          HG1       PRO  19   0.907   7.241   4.883
  123   1HD   PRO  19          HD2       PRO  19   1.201   6.332   2.082
  124   2HD   PRO  19          HD1       PRO  19   1.913   7.712   2.889
  125    H    CYS  20           HN       CYS  20   1.995   3.667   2.369
  126    HA   CYS  20           HA       CYS  20   2.212   1.038   3.305
  127   1HB   CYS  20          HB2       CYS  20   1.081   1.725   1.197
  128   2HB   CYS  20          HB1       CYS  20   2.657   2.003   0.464
  129    H    ARG  21           HN       ARG  21   4.576   3.115   1.669
  130    HA   ARG  21           HA       ARG  21   6.662   1.201   1.542
  131   1HB   ARG  21          HB2       ARG  21   6.539   3.288   0.205
  132   2HB   ARG  21          HB1       ARG  21   6.844   4.222   1.656
  133   1HG   ARG  21          HG2       ARG  21   9.046   3.270   1.867
  134   2HG   ARG  21          HG1       ARG  21   8.745   2.187   0.504
  135   1HD   ARG  21          HD2       ARG  21   8.506   4.108  -0.970
  136   2HD   ARG  21          HD1       ARG  21   8.771   5.204   0.376
  137    HE   ARG  21           HE       ARG  21  11.003   3.715   0.427
  138   1HH1  ARG  21          HH11      ARG  21   9.398   5.429  -2.199
  139   2HH1  ARG  21          HH12      ARG  21  10.871   5.717  -3.043
  140   1HH2  ARG  21          HH21      ARG  21  12.924   4.130  -0.711
  141   2HH2  ARG  21          HH22      ARG  21  12.864   4.993  -2.212
  142    H    LYS  22           HN       LYS  22   5.799   3.686   3.919
  143    HA   LYS  22           HA       LYS  22   8.049   3.308   5.603
  144   1HB   LYS  22          HB2       LYS  22   5.379   4.646   5.835
  145   2HB   LYS  22          HB1       LYS  22   6.345   4.427   7.288
  146   1HG   LYS  22          HG2       LYS  22   8.161   5.673   6.352
  147   2HG   LYS  22          HG1       LYS  22   7.319   5.822   4.807
  148   1HD   LYS  22          HD2       LYS  22   5.650   7.221   5.737
  149   2HD   LYS  22          HD1       LYS  22   6.169   6.874   7.383
  150   1HE   LYS  22          HE2       LYS  22   6.877   9.099   6.616
  151   2HE   LYS  22          HE1       LYS  22   8.230   8.056   7.050
  152   1HZ   LYS  22          HZ1       LYS  22   7.292   8.421   4.256
  153   2HZ   LYS  22          HZ2       LYS  22   8.729   7.695   4.782
  154   3HZ   LYS  22          HZ3       LYS  22   8.508   9.358   4.965
  155    H    GLN  23           HN       GLN  23   5.086   1.524   5.271
  156    HA   GLN  23           HA       GLN  23   5.477   0.249   7.887
  157   1HB   GLN  23          HB2       GLN  23   3.239   0.933   7.454
  158   2HB   GLN  23          HB1       GLN  23   3.232   0.134   5.887
  159   1HG   GLN  23          HG2       GLN  23   3.241  -2.017   6.870
  160   2HG   GLN  23          HG1       GLN  23   3.581  -1.364   8.470
  161   1HE2  GLN  23          HE21      GLN  23   1.379  -3.063   7.434
  162   2HE2  GLN  23          HE22      GLN  23  -0.061  -2.220   7.878
  163    H    THR  24           HN       THR  24   5.042  -0.748   4.468
  164    HA   THR  24           HA       THR  24   5.877  -3.443   5.190
  165    HB   THR  24           HB       THR  24   5.258  -4.056   2.928
  166    HG1  THR  24           HG1      THR  24   4.770  -2.558   1.382
  167   1HG2  THR  24          HG21      THR  24   3.221  -2.185   4.106
  168   2HG2  THR  24          HG22      THR  24   3.456  -3.874   4.561
  169   3HG2  THR  24          HG23      THR  24   2.902  -3.465   2.938
  170    H    GLY  25           HN       GLY  25   7.168  -0.668   3.454
  171   1HA   GLY  25          HA2       GLY  25   9.516  -0.421   3.076
  172   2HA   GLY  25          HA1       GLY  25   9.678  -2.167   2.978
  173    H    CYS  26           HN       CYS  26   6.892  -1.729   1.437
  174    HA   CYS  26           HA       CYS  26   8.159  -1.252  -1.159
  175   1HB   CYS  26          HB2       CYS  26   5.864  -3.060  -0.444
  176   2HB   CYS  26          HB1       CYS  26   6.343  -2.688  -2.087
  177    HA   PRO  27           HA       PRO  27   5.400   2.222  -1.161
  178   1HB   PRO  27          HB2       PRO  27   6.321   3.437  -3.321
  179   2HB   PRO  27          HB1       PRO  27   7.401   3.089  -1.979
  180   1HG   PRO  27          HG2       PRO  27   7.052   1.540  -4.515
  181   2HG   PRO  27          HG1       PRO  27   8.554   2.095  -3.752
  182   1HD   PRO  27          HD2       PRO  27   7.497  -0.432  -3.438
  183   2HD   PRO  27          HD1       PRO  27   8.587   0.360  -2.279
  184    H    ASN  28           HN       ASN  28   4.346  -0.355  -2.505
  185    HA   ASN  28           HA       ASN  28   2.703   0.955  -4.567
  186   1HB   ASN  28          HB2       ASN  28   2.349  -1.285  -5.520
  187   2HB   ASN  28          HB1       ASN  28   4.030  -0.779  -5.536
  188   1HD2  ASN  28          HD21      ASN  28   2.902  -3.449  -5.712
  189   2HD2  ASN  28          HD22      ASN  28   3.589  -4.333  -4.397
  190    H    ALA  29           HN       ALA  29   0.822   1.515  -3.739
  191    HA   ALA  29           HA       ALA  29  -0.823  -0.432  -2.376
  192   1HB   ALA  29          HB1       ALA  29  -1.097   2.218  -1.170
  193   2HB   ALA  29          HB2       ALA  29   0.489   1.504  -0.926
  194   3HB   ALA  29          HB3       ALA  29  -0.950   0.629  -0.421
  195    H    LYS  30           HN       LYS  30  -3.080   0.200  -2.244
  196    HA   LYS  30           HA       LYS  30  -3.943   2.270  -4.151
  197   1HB   LYS  30          HB2       LYS  30  -3.832   0.097  -5.344
  198   2HB   LYS  30          HB1       LYS  30  -4.935  -0.598  -4.184
  199   1HG   LYS  30          HG2       LYS  30  -6.172  -0.066  -6.116
  200   2HG   LYS  30          HG1       LYS  30  -6.627   1.109  -4.887
  201   1HD   LYS  30          HD2       LYS  30  -5.206   2.782  -5.889
  202   2HD   LYS  30          HD1       LYS  30  -4.583   1.611  -7.056
  203   1HE   LYS  30          HE2       LYS  30  -7.448   2.546  -6.846
  204   2HE   LYS  30          HE1       LYS  30  -6.275   3.066  -8.054
  205   1HZ   LYS  30          HZ1       LYS  30  -7.562   1.413  -9.064
  206   2HZ   LYS  30          HZ2       LYS  30  -7.479   0.383  -7.731
  207   3HZ   LYS  30          HZ3       LYS  30  -6.105   0.641  -8.687
  208    H    CYS  31           HN       CYS  31  -5.638   3.424  -3.282
  209    HA   CYS  31           HA       CYS  31  -6.589   2.531  -0.712
  210   1HB   CYS  31          HB2       CYS  31  -7.222   4.628  -0.263
  211   2HB   CYS  31          HB1       CYS  31  -6.065   4.994  -1.523
  212    H    ILE  32           HN       ILE  32  -8.168   1.169  -0.501
  213    HA   ILE  32           HA       ILE  32 -10.562   1.434  -2.198
  214    HB   ILE  32           HB       ILE  32 -10.831  -1.046  -2.124
  215   1HG1  ILE  32          HG12      ILE  32  -7.908  -1.089  -1.317
  216   2HG1  ILE  32          HG11      ILE  32  -9.224  -1.393  -0.197
  217   1HG2  ILE  32          HG21      ILE  32  -8.341  -0.109  -3.543
  218   2HG2  ILE  32          HG22      ILE  32  -9.995   0.088  -4.122
  219   3HG2  ILE  32          HG23      ILE  32  -9.311  -1.524  -3.951
  220   1HD1  ILE  32          HD11      ILE  32  -8.505  -3.031  -2.593
  221   2HD1  ILE  32          HD12      ILE  32  -9.942  -3.284  -1.601
  222   3HD1  ILE  32          HD13      ILE  32  -8.337  -3.466  -0.894
  223    H    ASN  33           HN       ASN  33 -12.454   1.187  -1.089
  224    HA   ASN  33           HA       ASN  33 -13.829   1.383   0.698
  225   1HB   ASN  33          HB2       ASN  33 -11.933  -0.688   1.843
  226   2HB   ASN  33          HB1       ASN  33 -13.413  -0.178   2.645
  227   1HD2  ASN  33          HD21      ASN  33 -14.285  -2.238   2.569
  228   2HD2  ASN  33          HD22      ASN  33 -14.860  -2.926   1.093
  229    H    LYS  34           HN       LYS  34 -11.693   3.242   0.375
  230    HA   LYS  34           HA       LYS  34 -10.743   4.989   1.405
  231   1HB   LYS  34          HB2       LYS  34 -12.534   4.157   3.665
  232   2HB   LYS  34          HB1       LYS  34 -11.476   5.550   3.739
  233   1HG   LYS  34          HG2       LYS  34 -12.611   6.573   1.866
  234   2HG   LYS  34          HG1       LYS  34 -13.644   5.153   1.691
  235   1HD   LYS  34          HD2       LYS  34 -14.778   6.989   2.869
  236   2HD   LYS  34          HD1       LYS  34 -14.614   5.551   3.878
  237   1HE   LYS  34          HE2       LYS  34 -12.727   6.540   5.031
  238   2HE   LYS  34          HE1       LYS  34 -12.784   7.955   3.975
  239   1HZ   LYS  34          HZ1       LYS  34 -14.975   8.449   4.881
  240   2HZ   LYS  34          HZ2       LYS  34 -13.810   8.372   6.104
  241   3HZ   LYS  34          HZ3       LYS  34 -14.887   7.087   5.886
  242    H    SER  35           HN       SER  35  -9.716   2.082   1.802
  243    HA   SER  35           HA       SER  35  -7.789   2.746   3.924
  244   1HB   SER  35          HB2       SER  35  -8.612  -0.017   3.000
  245   2HB   SER  35          HB1       SER  35  -7.597   0.403   4.383
  246    HG   SER  35           HG       SER  35  -9.718  -0.039   5.052
  247    H    CYS  36           HN       CYS  36  -5.693   2.855   3.318
  248    HA   CYS  36           HA       CYS  36  -4.978   2.519   0.540
  249   1HB   CYS  36          HB2       CYS  36  -3.239   3.061   2.949
  250   2HB   CYS  36          HB1       CYS  36  -2.731   3.161   1.283
  251    H    LYS  37           HN       LYS  37  -5.482   0.313   0.231
  252    HA   LYS  37           HA       LYS  37  -4.132  -1.688   1.821
  253   1HB   LYS  37          HB2       LYS  37  -6.511  -1.679   0.640
  254   2HB   LYS  37          HB1       LYS  37  -5.618  -2.351  -0.704
  255   1HG   LYS  37          HG2       LYS  37  -5.537  -3.487   2.094
  256   2HG   LYS  37          HG1       LYS  37  -6.726  -3.976   0.890
  257   1HD   LYS  37          HD2       LYS  37  -3.739  -4.185   0.513
  258   2HD   LYS  37          HD1       LYS  37  -4.765  -5.490   1.068
  259   1HE   LYS  37          HE2       LYS  37  -6.053  -5.389  -1.002
  260   2HE   LYS  37          HE1       LYS  37  -5.034  -4.075  -1.582
  261   1HZ   LYS  37          HZ1       LYS  37  -4.385  -6.219  -2.484
  262   2HZ   LYS  37          HZ2       LYS  37  -4.070  -6.802  -0.929
  263   3HZ   LYS  37          HZ3       LYS  37  -3.146  -5.535  -1.564
  264    H    CYS  38           HN       CYS  38  -2.183  -2.466   1.399
  265    HA   CYS  38           HA       CYS  38  -0.727  -1.616  -0.923
  266   1HB   CYS  38          HB2       CYS  38   0.007  -3.447   1.356
  267   2HB   CYS  38          HB1       CYS  38   1.136  -2.915   0.115
  268    H    TYR  39           HN       TYR  39   0.302  -2.977  -2.465
  269    HA   TYR  39           HA       TYR  39  -1.360  -5.204  -3.296
  270   1HB   TYR  39          HB2       TYR  39   1.163  -4.046  -4.460
  271   2HB   TYR  39          HB1       TYR  39   0.263  -5.350  -5.205
  272    HD1  TYR  39           HD1      TYR  39  -1.913  -4.919  -6.246
  273    HD2  TYR  39           HD2      TYR  39   0.362  -1.768  -4.559
  274    HE1  TYR  39           HE1      TYR  39  -3.292  -3.279  -7.447
  275    HE2  TYR  39           HE2      TYR  39  -1.004  -0.114  -5.735
  276    HH   TYR  39           HH       TYR  39  -2.582  -0.440  -8.160
  277    H    GLY  40           HN       GLY  40   1.067  -4.923  -1.065
  278   1HA   GLY  40          HA2       GLY  40   1.702  -6.808   0.176
  279   2HA   GLY  40          HA1       GLY  40   1.703  -7.781  -1.284
  280    H    CYS  41           HN       CYS  41   3.775  -7.171   0.807
  281    HA   CYS  41           HA       CYS  41   5.914  -6.328  -1.054
  282   1HB   CYS  41          HB2       CYS  41   5.379  -4.607   0.698
  283   2HB   CYS  41          HB1       CYS  41   5.806  -5.789   1.921