*HEADER    ANTIBIOTIC                              14-OCT-04   1W9N
*TITLE     ISOLATION AND CHARACTERIZATION OF EPILANCIN 15X, A NOVEL
*TITLE    2 ANTIBIOTIC FROM A CLINICAL STRAIN OF STAPHYLOCOCCUS
*TITLE    3 EPIDERMIDIS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: EPILANCIN 15X;
*COMPND   3 CHAIN: A;
*COMPND   4 OTHER_DETAILS: LANTHIONINE LINKAGE BETWEEN 12
*COMPND   5  AND 16 METHYL-LANTHIONINE LINKAGES BETWEEN 20
*COMPND   6  AND 23, AND 22 AND 25, RESPECTIVELY
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS;
*SOURCE   3 STRAIN: 15X150
*KEYWDS    LANTIBIOTIC, LANTHIONINE-RING
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    M.EKKELENKAMP,M.G.M.HANSSEN,S.-T.D.HSU,A.DE JONG,
*AUTHOR   2 D.MILATOVIC,J.VERHOEF,N.A.J.VAN NULAND
*REVDAT   1   23-MAR-05 1W9N    0




 ASSI {    1}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.11000E+01 volume  0.18064E-02 ppm1      9.767 ppm2      9.223 CV     1
 ASSI {    1}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.11000E+01 volume  0.76830E-03 ppm1      9.767 ppm2      8.516 CV     1
 ASSI {    2}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.900     3.000     1.100 peak     2 spectrum    1 weight  0.11000E+01 volume  0.49064E-03 ppm1      9.685 ppm2      8.606 CV     1
 ASSI {    3}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.300     1.300 peak     3 spectrum    1 weight  0.11000E+01 volume  0.19443E-02 ppm1      9.684 ppm2      7.830 CV     1
 ASSI {    5}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.11000E+01 volume  0.54154E-02 ppm1      9.582 ppm2      7.692 CV     1
 ASSI {    6}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.200     1.200 peak     6 spectrum    1 weight  0.11000E+01 volume  0.27151E-02 ppm1      9.224 ppm2      7.898 CV     1
 ASSI {   11}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.600     1.500 peak    11 spectrum    1 weight  0.11000E+01 volume  0.13563E-02 ppm1      8.733 ppm2      7.333 CV     1
 ASSI {   12}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      1.800     0.400     0.400 peak    12 spectrum    1 weight  0.11000E+01 volume  0.56137E-02 ppm1      8.758 ppm2      7.991 CV     1
 ASSI {   13}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak    13 spectrum    1 weight  0.11000E+01 volume  0.13130E-02 ppm1      8.759 ppm2      8.047 CV     1
 ASSI {   16}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak    16 spectrum    1 weight  0.11000E+01 volume  0.24473E-02 ppm1      8.733 ppm2      8.607 CV     1
 ASSI {   17}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.11000E+01 volume  0.19019E-02 ppm1      8.516 ppm2      8.281 CV     1
 ASSI {   20}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.11000E+01 volume  0.31911E-02 ppm1      8.267 ppm2      8.035 CV     1
 ASSI {   21}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak    21 spectrum    1 weight  0.11000E+01 volume  0.10239E-02 ppm1      8.209 ppm2      8.006 CV     1
 ASSI {   24}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak    24 spectrum    1 weight  0.11000E+01 volume  0.14765E-02 ppm1      8.007 ppm2      7.825 CV     1
 ASSI {   28}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.400     1.400     1.400 peak    28 spectrum    1 weight  0.11000E+01 volume  0.11868E-02 ppm1      9.891 ppm2      5.486 CV     1
 ASSI {   29}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.400     1.400 peak    29 spectrum    1 weight  0.11000E+01 volume  0.14042E-02 ppm1      8.255 ppm2      5.562 CV     1
 ASSI {   32}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak    32 spectrum    1 weight  0.11000E+01 volume  0.12745E-02 ppm1      7.213 ppm2      8.045 CV     1
 ASSI {   36}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak    36 spectrum    1 weight  0.11000E+01 volume  0.18000E-02 ppm1      7.899 ppm2      8.269 CV     1
 ASSI {   38}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak    38 spectrum    1 weight  0.11000E+01 volume  0.32958E-02 ppm1      8.059 ppm2      8.391 CV     1
 ASSI {   39}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.11000E+01 volume  0.25923E-02 ppm1      8.398 ppm2      8.661 CV     1
 ASSI {   41}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.11000E+01 volume  0.30207E-02 ppm1      8.046 ppm2      8.659 CV     1
 ASSI {   45}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.600     1.600 peak    45 spectrum    1 weight  0.11000E+01 volume  0.11089E-02 ppm1      7.993 ppm2      9.582 CV     1
 ASSI {   48}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak    48 spectrum    1 weight  0.11000E+01 volume  0.17708E-02 ppm1      7.692 ppm2      9.118 CV     1
 ASSI {   49}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.11000E+01 volume  0.45283E-02 ppm1      7.333 ppm2      9.119 CV     1
 ASSI {   51}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.11000E+01 volume  0.70158E-03 ppm1      7.270 ppm2      8.606 CV     1
 ASSI {   52}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak    52 spectrum    1 weight  0.11000E+01 volume  0.26326E-02 ppm1      7.212 ppm2      8.757 CV     1
 ASSI {   59}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.11000E+01 volume  0.30923E-02 ppm1      9.893 ppm2      4.313 CV     1
 ASSI {   60}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak    60 spectrum    1 weight  0.11000E+01 volume  0.95830E-02 ppm1      9.767 ppm2      4.360 CV     1
 ASSI {   61}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.11000E+01 volume  0.18411E-01 ppm1      9.581 ppm2      4.558 CV     1
 ASSI {   62}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.600     0.600 peak    62 spectrum    1 weight  0.11000E+01 volume  0.88813E-02 ppm1      9.685 ppm2      4.675 CV     1
 ASSI {   63}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.600     1.600     1.600 peak    63 spectrum    1 weight  0.11000E+01 volume  0.15679E-02 ppm1      9.684 ppm2      3.113 CV     1
 OR {   63}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {   64}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak    64 spectrum    1 weight  0.11000E+01 volume  0.12250E-02 ppm1      9.118 ppm2      3.516 CV     1
 ASSI {   65}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      2.900     1.100     1.100 peak    65 spectrum    1 weight  0.11000E+01 volume  0.64387E-02 ppm1      9.117 ppm2      3.735 CV     1
 ASSI {   67}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.000     2.000     2.000 peak    67 spectrum    1 weight  0.11000E+01 volume  0.20502E-02 ppm1      9.118 ppm2      2.738 CV     1
 ASSI {   68}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.300     1.400     1.400 peak    68 spectrum    1 weight  0.11000E+01 volume  0.36911E-02 ppm1      8.734 ppm2      3.066 CV     1
 ASSI {   69}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.11000E+01 volume  0.29741E-02 ppm1      8.736 ppm2      3.187 CV     1
 ASSI {   70}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.600     1.600 peak    70 spectrum    1 weight  0.11000E+01 volume  0.26259E-02 ppm1      8.734 ppm2      3.360 CV     1
 ASSI {   71}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA1 ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.11000E+01 volume  0.79757E-02 ppm1      8.660 ppm2      3.817 CV     1
 ASSI {   72}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.100     0.600     0.600 peak    72 spectrum    1 weight  0.11000E+01 volume  0.10820E-01 ppm1      8.734 ppm2      3.939 CV     1
 ASSI {   73}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA2 ))
      2.600     0.900     0.900 peak    73 spectrum    1 weight  0.11000E+01 volume  0.70395E-02 ppm1      8.660 ppm2      3.984 CV     1
 ASSI {   74}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.11000E+01 volume  0.12489E-01 ppm1      8.660 ppm2      4.240 CV     1
 ASSI {   76}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.11000E+01 volume  0.47792E-02 ppm1      8.758 ppm2      4.682 CV     1
 ASSI {   77}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     0.900     0.900 peak    77 spectrum    1 weight  0.11000E+01 volume  0.47667E-02 ppm1      8.735 ppm2      4.695 CV     1
 ASSI {   79}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.95991E-02 ppm1      8.398 ppm2      4.477 CV     1
 ASSI {   80}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak    80 spectrum    1 weight  0.11000E+01 volume  0.52297E-02 ppm1      8.394 ppm2      4.397 CV     1
 ASSI {   81}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.11000E+01 volume  0.38749E-02 ppm1      8.515 ppm2      4.361 CV     1
 ASSI {   82}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.11000E+01 volume  0.15082E-02 ppm1      8.329 ppm2      4.314 CV     1
 ASSI {   83}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    83 spectrum    1 weight  0.11000E+01 volume  0.10629E-01 ppm1      8.398 ppm2      4.242 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.100     0.600     0.600 peak    84 spectrum    1 weight  0.11000E+01 volume  0.12608E-01 ppm1      8.385 ppm2      4.208 CV     1
 ASSI {   85}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.11000E+01 volume  0.72519E-02 ppm1      8.392 ppm2      4.105 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.11000E+01 volume  0.52435E-02 ppm1      8.384 ppm2      3.995 CV     1
 ASSI {   87}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.500     0.500 peak    87 spectrum    1 weight  0.11000E+01 volume  0.11247E-01 ppm1      8.516 ppm2      4.079 CV     1
 ASSI {   88}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.11000E+01 volume  0.82624E-02 ppm1      8.606 ppm2      3.112 CV     1
 OR {   88}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {   89}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak    89 spectrum    1 weight  0.11000E+01 volume  0.11152E-02 ppm1      8.606 ppm2      3.186 CV     1
 ASSI {   92}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak    92 spectrum    1 weight  0.11000E+01 volume  0.67081E-03 ppm1      9.224 ppm2      4.359 CV     1
 ASSI {   93}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.11000E+01 volume  0.16221E-02 ppm1      8.733 ppm2      2.499 CV     1
 ASSI {   96}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak    96 spectrum    1 weight  0.11000E+01 volume  0.38542E-03 ppm1      7.333 ppm2      7.697 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.400     2.400     1.600 peak    98 spectrum    1 weight  0.11000E+01 volume  0.32621E-03 ppm1      8.256 ppm2      5.490 CV     1
 ASSI {   99}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak    99 spectrum    1 weight  0.11000E+01 volume  0.11122E-02 ppm1      9.766 ppm2      1.888 CV     1
 ASSI {  101}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.400     0.700     0.700 peak   101 spectrum    1 weight  0.11000E+01 volume  0.11006E-02 ppm1      9.583 ppm2      1.532 CV     1
 ASSI {  103}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.000     1.200     1.200 peak   103 spectrum    1 weight  0.11000E+01 volume  0.21828E-02 ppm1      9.581 ppm2      1.339 CV     1
 ASSI {  104}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
      4.500     2.600     1.500 peak   104 spectrum    1 weight  0.11000E+01 volume  0.13287E-02 ppm1      9.582 ppm2      0.922 CV     1
 ASSI {  105}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak   105 spectrum    1 weight  0.11000E+01 volume  0.31310E-03 ppm1      9.224 ppm2      1.893 CV     1
 ASSI {  107}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      3.400     1.400     1.400 peak   107 spectrum    1 weight  0.11000E+01 volume  0.21088E-03 ppm1      9.223 ppm2      0.851 CV     1
 ASSI {  108}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.500     1.600     1.600 peak   108 spectrum    1 weight  0.11000E+01 volume  0.27973E-02 ppm1      8.756 ppm2      0.549 CV     1
 ASSI {  109}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.500     1.500 peak   109 spectrum    1 weight  0.11000E+01 volume  0.13772E-02 ppm1      8.661 ppm2      1.830 CV     1
 ASSI {  110}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.000     2.000     2.000 peak   110 spectrum    1 weight  0.11000E+01 volume  0.88339E-03 ppm1      8.660 ppm2      1.777 CV     1
 ASSI {  111}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.200     3.400     0.800 peak   111 spectrum    1 weight  0.11000E+01 volume  0.41712E-03 ppm1      8.757 ppm2      2.936 CV     1
 ASSI {  112}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.11000E+01 volume  0.24362E-02 ppm1      8.757 ppm2      3.196 CV     1
 ASSI {  113}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.700     1.700     1.700 peak   113 spectrum    1 weight  0.11000E+01 volume  0.42688E-03 ppm1      8.757 ppm2      3.293 CV     1
 ASSI {  114}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.11000E+01 volume  0.14716E-02 ppm1      8.604 ppm2      3.064 CV     1
 ASSI {  115}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   115 spectrum    1 weight  0.11000E+01 volume  0.64558E-02 ppm1      8.283 ppm2      4.084 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.11000E+01 volume  0.13796E-01 ppm1      8.269 ppm2      4.102 CV     1
 ASSI {  117}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak   117 spectrum    1 weight  0.11000E+01 volume  0.10266E-02 ppm1      8.208 ppm2      4.096 CV     1
 ASSI {  118}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.86074E-02 ppm1      8.269 ppm2      4.184 CV     1
 ASSI {  119}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.000     0.500     0.500 peak   119 spectrum    1 weight  0.11000E+01 volume  0.14153E-01 ppm1      8.283 ppm2      4.158 CV     1
 ASSI {  120}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   120 spectrum    1 weight  0.11000E+01 volume  0.82262E-02 ppm1      8.255 ppm2      4.163 CV     1
 ASSI {  121}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.000     1.100     1.100 peak   121 spectrum    1 weight  0.11000E+01 volume  0.40114E-02 ppm1      8.283 ppm2      2.018 CV     1
 ASSI {  122}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.000     1.200     1.200 peak   122 spectrum    1 weight  0.11000E+01 volume  0.57693E-02 ppm1      8.255 ppm2      1.872 CV     1
 ASSI {  123}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      2.700     0.900     0.900 peak   123 spectrum    1 weight  0.11000E+01 volume  0.29417E-02 ppm1      8.283 ppm2      1.871 CV     1
 ASSI {  124}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   124 spectrum    1 weight  0.11000E+01 volume  0.26884E-02 ppm1      8.268 ppm2      1.804 CV     1
 ASSI {  125}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.700     1.700     1.700 peak   125 spectrum    1 weight  0.11000E+01 volume  0.43770E-02 ppm1      8.268 ppm2      1.741 CV     1
 OR {  125}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  126}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.500     2.600     1.500 peak   126 spectrum    1 weight  0.11000E+01 volume  0.89257E-03 ppm1      8.209 ppm2      1.680 CV     1
 ASSI {  127}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.11000E+01 volume  0.63871E-02 ppm1      8.398 ppm2      1.830 CV     1
 ASSI {  129}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.200     1.300     1.300 peak   129 spectrum    1 weight  0.11000E+01 volume  0.52030E-02 ppm1      8.393 ppm2      1.643 CV     1
 ASSI {  130}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      2.300     0.700     0.700 peak   130 spectrum    1 weight  0.11000E+01 volume  0.42484E-02 ppm1      8.383 ppm2      1.539 CV     1
 ASSI {  133}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.300     1.400     1.400 peak   133 spectrum    1 weight  0.11000E+01 volume  0.91371E-03 ppm1      8.266 ppm2      1.385 CV     1
 ASSI {  134}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.11000E+01 volume  0.73279E-03 ppm1      8.329 ppm2      1.412 CV     1
 ASSI {  135}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      4.100     2.100     1.900 peak   135 spectrum    1 weight  0.11000E+01 volume  0.23493E-02 ppm1      8.393 ppm2      1.383 CV     1
 ASSI {  136}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.400     2.500     1.600 peak   136 spectrum    1 weight  0.11000E+01 volume  0.14033E-02 ppm1      8.393 ppm2      1.246 CV     1
 ASSI {  137}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG11))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.11000E+01 volume  0.22577E-02 ppm1      8.256 ppm2      1.181 CV     1
 ASSI {  138}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.11000E+01 volume  0.53158E-02 ppm1      8.061 ppm2      1.365 CV     1
 ASSI {  139}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      4.500     2.600     1.500 peak   139 spectrum    1 weight  0.11000E+01 volume  0.10798E-02 ppm1      8.384 ppm2      0.806 CV     1
 ASSI {  140}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.700     1.700     1.700 peak   140 spectrum    1 weight  0.11000E+01 volume  0.48906E-02 ppm1      8.283 ppm2      0.899 CV     1
 ASSI {  142}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      2.700     0.900     0.900 peak   142 spectrum    1 weight  0.11000E+01 volume  0.39038E-02 ppm1      8.257 ppm2      0.868 CV     1
 ASSI {  143}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.11000E+01 volume  0.27337E-02 ppm1      7.991 ppm2      4.681 CV     1
 ASSI {  144}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   144 spectrum    1 weight  0.11000E+01 volume  0.40327E-02 ppm1      8.046 ppm2      4.562 CV     1
 ASSI {  145}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.11000E+01 volume  0.66107E-02 ppm1      7.991 ppm2      4.560 CV     1
 ASSI {  146}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.11000E+01 volume  0.33672E-02 ppm1      8.017 ppm2      4.479 CV     1
 ASSI {  147}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   147 spectrum    1 weight  0.11000E+01 volume  0.41577E-02 ppm1      8.062 ppm2      4.400 CV     1
 ASSI {  148}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.11000E+01 volume  0.22298E-02 ppm1      8.006 ppm2      4.277 CV     1
 ASSI {  149}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   149 spectrum    1 weight  0.11000E+01 volume  0.14713E-01 ppm1      8.062 ppm2      4.216 CV     1
 ASSI {  150}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   150 spectrum    1 weight  0.11000E+01 volume  0.15945E-01 ppm1      8.034 ppm2      4.184 CV     1
 ASSI {  151}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   151 spectrum    1 weight  0.11000E+01 volume  0.10251E-01 ppm1      8.034 ppm2      4.216 CV     1
 ASSI {  152}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   152 spectrum    1 weight  0.11000E+01 volume  0.34231E-02 ppm1      7.898 ppm2      4.104 CV     1
 ASSI {  153}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA2 ))
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.11000E+01 volume  0.30797E-02 ppm1      8.047 ppm2      3.985 CV     1
 ASSI {  155}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak   155 spectrum    1 weight  0.11000E+01 volume  0.47193E-03 ppm1      8.017 ppm2      3.996 CV     1
 ASSI {  156}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.11000E+01 volume  0.47397E-02 ppm1      8.006 ppm2      3.891 CV     1
 OR {  156}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  157}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA1 ))
      2.700     0.900     0.900 peak   157 spectrum    1 weight  0.11000E+01 volume  0.27430E-02 ppm1      8.046 ppm2      3.817 CV     1
 ASSI {  158}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.11000E+01 volume  0.66554E-02 ppm1      8.046 ppm2      3.197 CV     1
 ASSI {  159}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.11000E+01 volume  0.57801E-02 ppm1      8.062 ppm2      3.070 CV     1
 ASSI {  160}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak   160 spectrum    1 weight  0.11000E+01 volume  0.45960E-02 ppm1      8.061 ppm2      3.024 CV     1
 ASSI {  161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.11000E+01 volume  0.10547E-01 ppm1      8.017 ppm2      3.066 CV     1
 ASSI {  162}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.300     0.700     0.700 peak   162 spectrum    1 weight  0.11000E+01 volume  0.63440E-02 ppm1      8.017 ppm2      3.018 CV     1
 ASSI {  163}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.000     1.100     1.100 peak   163 spectrum    1 weight  0.11000E+01 volume  0.58788E-02 ppm1      8.046 ppm2      2.937 CV     1
 ASSI {  164}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.900     1.000     1.000 peak   164 spectrum    1 weight  0.11000E+01 volume  0.68827E-02 ppm1      7.899 ppm2      1.896 CV     1
 ASSI {  166}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG12))
      2.900     1.100     1.100 peak   166 spectrum    1 weight  0.11000E+01 volume  0.19451E-02 ppm1      7.899 ppm2      1.455 CV     1
 ASSI {  167}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak   167 spectrum    1 weight  0.11000E+01 volume  0.17165E-02 ppm1      8.010 ppm2      1.832 CV     1
 ASSI {  168}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.11000E+01 volume  0.33353E-02 ppm1      8.035 ppm2      1.809 CV     1
 ASSI {  169}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      1.900     0.400     0.400 peak   169 spectrum    1 weight  0.11000E+01 volume  0.80852E-02 ppm1      7.991 ppm2      1.770 CV     1
 ASSI {  170}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.500     1.500     1.500 peak   170 spectrum    1 weight  0.11000E+01 volume  0.44572E-02 ppm1      8.033 ppm2      1.748 CV     1
 OR {  170}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
 OR {  170}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  171}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.11000E+01 volume  0.56094E-02 ppm1      8.009 ppm2      1.753 CV     1
 ASSI {  172}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.300     0.700     0.700 peak   172 spectrum    1 weight  0.11000E+01 volume  0.69862E-03 ppm1      8.018 ppm2      1.669 CV     1
 ASSI {  173}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.11000E+01 volume  0.55535E-02 ppm1      7.991 ppm2      1.529 CV     1
 ASSI {  174}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.200     1.200     1.200 peak   174 spectrum    1 weight  0.11000E+01 volume  0.17189E-02 ppm1      8.001 ppm2      1.419 CV     1
 OR {  174}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  175}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.600     0.900     0.900 peak   175 spectrum    1 weight  0.11000E+01 volume  0.79566E-02 ppm1      8.033 ppm2      1.364 CV     1
 ASSI {  176}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG11))
      2.700     0.900     0.900 peak   176 spectrum    1 weight  0.11000E+01 volume  0.25461E-02 ppm1      7.897 ppm2      1.192 CV     1
 ASSI {  177}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.400     1.400     1.400 peak   177 spectrum    1 weight  0.11000E+01 volume  0.19716E-02 ppm1      7.898 ppm2      0.875 CV     1
 ASSI {  178}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
      5.300     3.500     0.700 peak   178 spectrum    1 weight  0.11000E+01 volume  0.65265E-03 ppm1      7.899 ppm2      0.826 CV     1
 ASSI {  179}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      5.700     4.000     0.300 peak   179 spectrum    1 weight  0.11000E+01 volume  0.22307E-03 ppm1      7.989 ppm2      0.551 CV     1
 ASSI {  180}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.800     2.900     1.200 peak   180 spectrum    1 weight  0.11000E+01 volume  0.51428E-03 ppm1      7.692 ppm2      0.548 CV     1
 ASSI {  181}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.200     3.200     2.800 peak   181 spectrum    1 weight  0.11000E+01 volume  0.13752E-02 ppm1      7.800 ppm2      1.380 CV     1
 ASSI {  182}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      4.500     4.500     1.500 peak   182 spectrum    1 weight  0.11000E+01 volume  0.60636E-03 ppm1      7.800 ppm2      1.252 CV     1
 ASSI {  183}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak   183 spectrum    1 weight  0.11000E+01 volume  0.10168E-02 ppm1      7.800 ppm2      1.763 CV     1
 OR {  183}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  184}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.11000E+01 volume  0.56410E-02 ppm1      7.692 ppm2      2.735 CV     1
 ASSI {  185}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.800     1.800     1.800 peak   185 spectrum    1 weight  0.11000E+01 volume  0.23899E-02 ppm1      7.693 ppm2      3.289 CV     1
 ASSI {  186}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   186 spectrum    1 weight  0.11000E+01 volume  0.29229E-02 ppm1      7.692 ppm2      3.518 CV     1
 ASSI {  187}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      2.500     0.800     0.800 peak   187 spectrum    1 weight  0.11000E+01 volume  0.96593E-02 ppm1      7.830 ppm2      3.891 CV     1
 OR {  187}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
 ASSI {  188}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   188 spectrum    1 weight  0.11000E+01 volume  0.35359E-02 ppm1      7.800 ppm2      3.996 CV     1
 ASSI {  189}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.11000E+01 volume  0.16405E-02 ppm1      7.801 ppm2      4.105 CV     1
 ASSI {  190}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.11000E+01 volume  0.36138E-02 ppm1      7.691 ppm2      3.993 CV     1
 ASSI {  191}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.11000E+01 volume  0.38025E-03 ppm1      7.831 ppm2      4.676 CV     1
 ASSI {  192}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      5.000     3.100     1.000 peak   192 spectrum    1 weight  0.11000E+01 volume  0.32457E-03 ppm1      7.690 ppm2      4.675 CV     1
 ASSI {  194}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      3.200     1.300     1.300 peak   194 spectrum    1 weight  0.11000E+01 volume  0.45546E-02 ppm1      7.332 ppm2      3.989 CV     1
 ASSI {  195}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.11000E+01 volume  0.49659E-02 ppm1      7.333 ppm2      3.938 CV     1
 ASSI {  196}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      3.400     1.400     1.400 peak   196 spectrum    1 weight  0.11000E+01 volume  0.10517E-02 ppm1      7.332 ppm2      3.737 CV     1
 ASSI {  197}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.11000E+01 volume  0.16723E-02 ppm1      7.333 ppm2      3.437 CV     1
 ASSI {  198}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   198 spectrum    1 weight  0.11000E+01 volume  0.26568E-02 ppm1      7.333 ppm2      3.360 CV     1
 ASSI {  199}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      4.300     2.400     1.700 peak   199 spectrum    1 weight  0.11000E+01 volume  0.15205E-02 ppm1      8.517 ppm2      2.023 CV     1
 ASSI {  200}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.11000E+01 volume  0.22755E-02 ppm1      8.517 ppm2      1.890 CV     1
 ASSI {  201}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.300     1.400     1.400 peak   201 spectrum    1 weight  0.11000E+01 volume  0.33409E-02 ppm1      8.517 ppm2      1.807 CV     1
 ASSI {  202}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.000     1.200     1.200 peak   202 spectrum    1 weight  0.11000E+01 volume  0.92048E-03 ppm1      8.518 ppm2      1.490 CV     1
 ASSI {  203}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      4.900     3.100     1.100 peak   203 spectrum    1 weight  0.11000E+01 volume  0.27112E-03 ppm1      8.515 ppm2      0.903 CV     1
 ASSI {  204}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.600     2.700     1.400 peak   204 spectrum    1 weight  0.11000E+01 volume  0.65759E-03 ppm1      8.516 ppm2      0.851 CV     1
 ASSI {  205}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HB1 ))
      5.000     3.100     1.000 peak   205 spectrum    1 weight  0.11000E+01 volume  0.58600E-03 ppm1      7.215 ppm2      1.771 CV     1
 ASSI {  209}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      5.600     3.900     0.400 peak   209 spectrum    1 weight  0.11000E+01 volume  0.15908E-03 ppm1      9.892 ppm2      5.561 CV     1
 ASSI {  210}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak   210 spectrum    1 weight  0.11000E+01 volume  0.42672E-03 ppm1      9.583 ppm2      4.875 CV     1
 ASSI {  211}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.11000E+01 volume  0.46822E-03 ppm1      9.116 ppm2      3.293 CV     1
 ASSI {  212}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.200     3.400     0.800 peak   212 spectrum    1 weight  0.11000E+01 volume  0.23963E-03 ppm1      8.603 ppm2      3.363 CV     1
 ASSI {  213}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.800     2.900     1.200 peak   213 spectrum    1 weight  0.11000E+01 volume  0.40511E-03 ppm1      8.389 ppm2      0.866 CV     1
 ASSI {  214}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.11000E+01 volume  0.48160E-02 ppm1      8.384 ppm2      1.671 CV     1
 ASSI {  215}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      5.500     3.700     0.500 peak   215 spectrum    1 weight  0.11000E+01 volume  0.31754E-03 ppm1      8.211 ppm2      1.755 CV     1
 ASSI {  216}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.900     1.200 peak   216 spectrum    1 weight  0.11000E+01 volume  0.43780E-03 ppm1      8.209 ppm2      1.832 CV     1
 ASSI {  218}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.300     2.300     1.700 peak   218 spectrum    1 weight  0.11000E+01 volume  0.19901E-03 ppm1      8.259 ppm2      9.892 CV     1
 ASSI {  219}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.400     1.400 peak   219 spectrum    1 weight  0.11000E+01 volume  0.21228E-03 ppm1      7.273 ppm2      9.686 CV     1
 ASSI {  223}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HB1 ))
      2.000     0.500     0.500 peak   223 spectrum    1 weight  0.11000E+01 volume  0.12612E-01 ppm1      5.562 ppm2      5.489 CV     1
 ASSI {  224}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 27   and name HE% )
      1.700     0.400     0.500 peak   224 spectrum    1 weight  0.11000E+01 volume  0.41639E-01 ppm1      7.275 ppm2      7.349 CV     1
 ASSI {  225}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 19   and name HE% )
      1.800     0.400     0.400 peak   225 spectrum    1 weight  0.11000E+01 volume  0.26443E-01 ppm1      7.213 ppm2      7.314 CV     1
 ASSI {  226}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.11000E+01 volume  0.37608E-02 ppm1      7.274 ppm2      4.676 CV     1
 ASSI {  229}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
      4.800     2.900     1.200 peak   229 spectrum    1 weight  0.11000E+01 volume  0.52448E-03 ppm1      7.315 ppm2      3.192 CV     1
 ASSI {  230}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB2 ))
      4.400     2.400     1.600 peak   230 spectrum    1 weight  0.11000E+01 volume  0.92108E-03 ppm1      7.352 ppm2      3.112 CV     1
 OR {  230}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  231}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.11000E+01 volume  0.11035E-01 ppm1      7.274 ppm2      3.113 CV     1
 OR {  231}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  232}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 19   and name HB1 ))
      5.000     3.200     1.000 peak   232 spectrum    1 weight  0.11000E+01 volume  0.37013E-03 ppm1      7.316 ppm2      2.942 CV     1
 ASSI {  233}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 20   and name HG2%)
      3.600     1.600     1.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.28501E-02 ppm1      7.316 ppm2      0.549 CV     1
 ASSI {  234}
   (( segid "    " and resid 19   and name HZ  ))
   (  segid "    " and resid 20   and name HG2%)
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.11000E+01 volume  0.11951E-02 ppm1      7.256 ppm2      0.550 CV     1
 ASSI {  235}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 20   and name HG2%)
      3.900     1.900     1.900 peak   235 spectrum    1 weight  0.11000E+01 volume  0.28897E-02 ppm1      7.212 ppm2      0.549 CV     1
 ASSI {  236}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.11000E+01 volume  0.16360E-02 ppm1      7.201 ppm2      3.064 CV     1
 ASSI {  237}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.11000E+01 volume  0.86961E-02 ppm1      7.213 ppm2      2.940 CV     1
 ASSI {  239}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HA2 ))
      3.400     1.500     1.500 peak   239 spectrum    1 weight  0.11000E+01 volume  0.12284E-02 ppm1      7.211 ppm2      3.995 CV     1
 ASSI {  240}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      5.100     3.200     0.900 peak   240 spectrum    1 weight  0.11000E+01 volume  0.43099E-03 ppm1      7.203 ppm2      4.689 CV     1
 ASSI {  245}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   245 spectrum    1 weight  0.11000E+01 volume  0.14311E-02 ppm1      3.821 ppm2      4.243 CV     1
 ASSI {  246}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   246 spectrum    1 weight  0.11000E+01 volume  0.82789E-03 ppm1      3.518 ppm2      4.685 CV     1
 ASSI {  247}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak   247 spectrum    1 weight  0.11000E+01 volume  0.29038E-02 ppm1      3.438 ppm2      4.874 CV     1
 ASSI {  248}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak   248 spectrum    1 weight  0.11000E+01 volume  0.11911E-01 ppm1      3.291 ppm2      4.680 CV     1
 ASSI {  249}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.11000E+01 volume  0.51866E-02 ppm1      3.189 ppm2      4.696 CV     1
 ASSI {  250}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   250 spectrum    1 weight  0.11000E+01 volume  0.69761E-02 ppm1      3.112 ppm2      4.677 CV     1
 OR {  250}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  251}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   251 spectrum    1 weight  0.11000E+01 volume  0.40081E-02 ppm1      3.066 ppm2      4.696 CV     1
 ASSI {  252}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.11000E+01 volume  0.75222E-02 ppm1      3.197 ppm2      4.562 CV     1
 ASSI {  253}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.700     0.700 peak   253 spectrum    1 weight  0.11000E+01 volume  0.82009E-02 ppm1      3.066 ppm2      4.475 CV     1
 ASSI {  254}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.700     0.700 peak   254 spectrum    1 weight  0.11000E+01 volume  0.90181E-02 ppm1      3.013 ppm2      4.476 CV     1
 ASSI {  255}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   255 spectrum    1 weight  0.11000E+01 volume  0.36102E-02 ppm1      2.938 ppm2      4.561 CV     1
 ASSI {  256}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.100     0.600     0.600 peak   256 spectrum    1 weight  0.11000E+01 volume  0.12718E-01 ppm1      3.075 ppm2      4.399 CV     1
 ASSI {  257}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.11000E+01 volume  0.10534E-01 ppm1      3.027 ppm2      4.399 CV     1
 ASSI {  258}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      4.700     2.800     1.300 peak   258 spectrum    1 weight  0.11000E+01 volume  0.88560E-03 ppm1      3.168 ppm2      4.239 CV     1
 OR {  258}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  259}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak   259 spectrum    1 weight  0.11000E+01 volume  0.28189E-02 ppm1      2.735 ppm2      4.683 CV     1
 ASSI {  260}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak   260 spectrum    1 weight  0.11000E+01 volume  0.60103E-03 ppm1      1.341 ppm2      4.873 CV     1
 ASSI {  262}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   262 spectrum    1 weight  0.11000E+01 volume  0.59310E-02 ppm1      1.529 ppm2      4.561 CV     1
 ASSI {  263}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   263 spectrum    1 weight  0.11000E+01 volume  0.26315E-02 ppm1      1.773 ppm2      4.562 CV     1
 ASSI {  264}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.11000E+01 volume  0.46687E-02 ppm1      1.892 ppm2      4.358 CV     1
 ASSI {  265}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   265 spectrum    1 weight  0.11000E+01 volume  0.35622E-02 ppm1      1.806 ppm2      4.359 CV     1
 ASSI {  266}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak   266 spectrum    1 weight  0.11000E+01 volume  0.18748E-02 ppm1      1.416 ppm2      4.302 CV     1
 ASSI {  267}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   267 spectrum    1 weight  0.11000E+01 volume  0.13731E-01 ppm1      1.363 ppm2      4.217 CV     1
 ASSI {  268}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   268 spectrum    1 weight  0.11000E+01 volume  0.44214E-02 ppm1      1.393 ppm2      4.182 CV     1
 ASSI {  270}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   270 spectrum    1 weight  0.11000E+01 volume  0.41080E-02 ppm1      1.538 ppm2      4.207 CV     1
 ASSI {  271}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   271 spectrum    1 weight  0.11000E+01 volume  0.24493E-02 ppm1      1.574 ppm2      4.243 CV     1
 ASSI {  272}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.100     0.600     0.600 peak   272 spectrum    1 weight  0.11000E+01 volume  0.78389E-02 ppm1      1.627 ppm2      4.205 CV     1
 ASSI {  273}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.11000E+01 volume  0.45717E-02 ppm1      1.669 ppm2      4.206 CV     1
 ASSI {  274}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.11000E+01 volume  0.32481E-02 ppm1      1.747 ppm2      4.277 CV     1
 ASSI {  275}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak   275 spectrum    1 weight  0.11000E+01 volume  0.92851E-02 ppm1      1.831 ppm2      4.244 CV     1
 ASSI {  276}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   276 spectrum    1 weight  0.11000E+01 volume  0.67396E-02 ppm1      1.776 ppm2      4.236 CV     1
 ASSI {  277}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   277 spectrum    1 weight  0.11000E+01 volume  0.50965E-02 ppm1      1.745 ppm2      4.181 CV     1
 OR {  277}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HA  ))
 OR {  277}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  278}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.11000E+01 volume  0.53770E-02 ppm1      1.804 ppm2      4.180 CV     1
 ASSI {  279}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.11000E+01 volume  0.38972E-02 ppm1      1.870 ppm2      4.155 CV     1
 ASSI {  282}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.11000E+01 volume  0.80273E-02 ppm1      0.551 ppm2      4.679 CV     1
 ASSI {  284}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak   284 spectrum    1 weight  0.11000E+01 volume  0.80283E-02 ppm1      0.809 ppm2      4.204 CV     1
 ASSI {  285}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.11000E+01 volume  0.33090E-02 ppm1      0.857 ppm2      4.204 CV     1
 ASSI {  286}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   286 spectrum    1 weight  0.11000E+01 volume  0.40633E-02 ppm1      0.862 ppm2      4.159 CV     1
 ASSI {  287}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      5.600     3.900     0.400 peak   287 spectrum    1 weight  0.11000E+01 volume  0.66048E-03 ppm1      0.900 ppm2      4.158 CV     1
 ASSI {  288}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.400     1.700 peak   288 spectrum    1 weight  0.11000E+01 volume  0.13149E-02 ppm1      0.826 ppm2      4.159 CV     1
 ASSI {  289}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   289 spectrum    1 weight  0.11000E+01 volume  0.56213E-02 ppm1      0.878 ppm2      4.103 CV     1
 ASSI {  290}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.11000E+01 volume  0.53076E-02 ppm1      0.902 ppm2      4.079 CV     1
 ASSI {  291}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   291 spectrum    1 weight  0.11000E+01 volume  0.40965E-02 ppm1      0.851 ppm2      4.080 CV     1
 ASSI {  292}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak   292 spectrum    1 weight  0.11000E+01 volume  0.28684E-02 ppm1      0.822 ppm2      4.101 CV     1
 ASSI {  293}
   (( segid "    " and resid 4    and name HG11))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   293 spectrum    1 weight  0.11000E+01 volume  0.20261E-02 ppm1      1.180 ppm2      4.147 CV     1
 ASSI {  294}
   (( segid "    " and resid 9    and name HG11))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak   294 spectrum    1 weight  0.11000E+01 volume  0.24997E-02 ppm1      1.189 ppm2      4.104 CV     1
 ASSI {  295}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.11000E+01 volume  0.18448E-02 ppm1      1.391 ppm2      4.103 CV     1
 ASSI {  296}
   (( segid "    " and resid 9    and name HG12))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak   296 spectrum    1 weight  0.11000E+01 volume  0.14139E-02 ppm1      1.453 ppm2      4.105 CV     1
 ASSI {  297}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.900     1.900     1.900 peak   297 spectrum    1 weight  0.11000E+01 volume  0.27046E-02 ppm1      1.633 ppm2      4.102 CV     1
 ASSI {  298}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   298 spectrum    1 weight  0.11000E+01 volume  0.94150E-03 ppm1      1.499 ppm2      4.361 CV     1
 ASSI {  299}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.600     0.600 peak   299 spectrum    1 weight  0.11000E+01 volume  0.12713E-01 ppm1      1.762 ppm2      4.101 CV     1
 OR {  299}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  300}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.11000E+01 volume  0.97846E-02 ppm1      1.768 ppm2      3.995 CV     1
 OR {  300}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  301}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
      5.100     3.300     0.900 peak   301 spectrum    1 weight  0.11000E+01 volume  0.56170E-03 ppm1      1.642 ppm2      3.992 CV     1
 OR {  301}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  302}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   302 spectrum    1 weight  0.11000E+01 volume  0.57282E-02 ppm1      1.896 ppm2      4.102 CV     1
 ASSI {  303}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   303 spectrum    1 weight  0.11000E+01 volume  0.29462E-02 ppm1      2.020 ppm2      4.079 CV     1
 ASSI {  304}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   304 spectrum    1 weight  0.11000E+01 volume  0.32056E-02 ppm1      2.498 ppm2      3.939 CV     1
 ASSI {  305}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.11000E+01 volume  0.41238E-02 ppm1      2.736 ppm2      3.991 CV     1
 ASSI {  306}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      5.000     3.100     1.000 peak   306 spectrum    1 weight  0.11000E+01 volume  0.90773E-03 ppm1      3.290 ppm2      3.990 CV     1
 ASSI {  307}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.11000E+01 volume  0.58551E-02 ppm1      3.361 ppm2      3.937 CV     1
 ASSI {  308}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.400     1.400 peak   308 spectrum    1 weight  0.11000E+01 volume  0.10692E-02 ppm1      3.440 ppm2      3.936 CV     1
 ASSI {  309}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.900     0.900 peak   309 spectrum    1 weight  0.11000E+01 volume  0.63720E-02 ppm1      3.517 ppm2      3.990 CV     1
 ASSI {  310}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 24   and name HA2 ))
      1.700     0.400     0.500 peak   310 spectrum    1 weight  0.11000E+01 volume  0.28224E-01 ppm1      3.734 ppm2      3.985 CV     1
 ASSI {  311}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HA2 ))
      1.700     0.400     0.500 peak   311 spectrum    1 weight  0.11000E+01 volume  0.27274E-01 ppm1      3.817 ppm2      3.981 CV     1
 ASSI {  312}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HB  ))
      3.000     1.200     1.200 peak   312 spectrum    1 weight  0.11000E+01 volume  0.11777E-01 ppm1      3.361 ppm2      3.439 CV     1
 ASSI {  313}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.11000E+01 volume  0.99190E-02 ppm1      3.290 ppm2      3.517 CV     1
 ASSI {  314}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      1.700     0.300     0.500 peak   314 spectrum    1 weight  0.11000E+01 volume  0.24019E-01 ppm1      2.736 ppm2      3.512 CV     1
 ASSI {  315}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HB  ))
      2.100     0.600     0.600 peak   315 spectrum    1 weight  0.11000E+01 volume  0.12539E-01 ppm1      2.498 ppm2      3.439 CV     1
 ASSI {  316}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.700     0.400     0.500 peak   316 spectrum    1 weight  0.11000E+01 volume  0.23653E-01 ppm1      2.499 ppm2      3.360 CV     1
 ASSI {  317}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 20   and name HB  ))
      2.000     0.500     0.500 peak   317 spectrum    1 weight  0.11000E+01 volume  0.16807E-01 ppm1      2.736 ppm2      3.290 CV     1
 ASSI {  318}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.500     0.300     0.700 peak   318 spectrum    1 weight  0.11000E+01 volume  0.43431E-01 ppm1      3.067 ppm2      3.186 CV     1
 ASSI {  319}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.600     0.300     0.600 peak   319 spectrum    1 weight  0.11000E+01 volume  0.21304E-01 ppm1      2.939 ppm2      3.195 CV     1
 ASSI {  320}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HB  ))
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.11000E+01 volume  0.51527E-02 ppm1      1.339 ppm2      3.439 CV     1
 ASSI {  321}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      4.700     2.700     1.300 peak   321 spectrum    1 weight  0.11000E+01 volume  0.69132E-03 ppm1      1.340 ppm2      3.362 CV     1
 ASSI {  322}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HB2 ))
      3.300     1.400     1.400 peak   322 spectrum    1 weight  0.11000E+01 volume  0.22110E-02 ppm1      0.551 ppm2      3.516 CV     1
 ASSI {  323}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.300     0.700     0.700 peak   323 spectrum    1 weight  0.11000E+01 volume  0.11121E-01 ppm1      0.550 ppm2      3.289 CV     1
 ASSI {  324}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE2 ))
      4.400     2.400     1.600 peak   324 spectrum    1 weight  0.11000E+01 volume  0.68031E-03 ppm1      1.392 ppm2      2.938 CV     1
 OR {  324}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE1 ))
 ASSI {  325}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 13   and name HE2 ))
      3.100     1.200     1.200 peak   325 spectrum    1 weight  0.11000E+01 volume  0.25369E-02 ppm1      1.594 ppm2      2.946 CV     1
 OR {  325}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 13   and name HE1 ))
 ASSI {  327}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.600     0.900     0.900 peak   327 spectrum    1 weight  0.11000E+01 volume  0.43800E-02 ppm1      1.581 ppm2      3.166 CV     1
 OR {  327}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  328}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.700     0.900     0.900 peak   328 spectrum    1 weight  0.11000E+01 volume  0.28467E-02 ppm1      1.644 ppm2      3.166 CV     1
 OR {  328}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  329}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.200     1.300     1.300 peak   329 spectrum    1 weight  0.11000E+01 volume  0.17137E-02 ppm1      1.779 ppm2      3.168 CV     1
 OR {  329}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  330}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.200     1.300     1.300 peak   330 spectrum    1 weight  0.11000E+01 volume  0.21608E-02 ppm1      1.832 ppm2      3.166 CV     1
 OR {  330}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  331}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      3.600     1.700     1.700 peak   331 spectrum    1 weight  0.11000E+01 volume  0.10473E-02 ppm1      1.340 ppm2      2.502 CV     1
 ASSI {  332}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 23   and name HB1 ))
      3.600     1.600     1.600 peak   332 spectrum    1 weight  0.11000E+01 volume  0.34257E-02 ppm1      0.550 ppm2      2.734 CV     1
 ASSI {  333}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
      2.600     0.900     0.900 peak   333 spectrum    1 weight  0.11000E+01 volume  0.42863E-02 ppm1      0.848 ppm2      2.018 CV     1
 ASSI {  334}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.11000E+01 volume  0.66860E-02 ppm1      0.902 ppm2      2.018 CV     1
 ASSI {  335}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HB  ))
      2.200     0.600     0.600 peak   335 spectrum    1 weight  0.11000E+01 volume  0.11004E-01 ppm1      0.877 ppm2      1.898 CV     1
 ASSI {  336}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.11000E+01 volume  0.10522E-01 ppm1      0.865 ppm2      1.872 CV     1
 OR {  336}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
 ASSI {  337}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB  ))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.11000E+01 volume  0.35438E-02 ppm1      0.823 ppm2      1.888 CV     1
 ASSI {  338}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak   338 spectrum    1 weight  0.11000E+01 volume  0.40663E-02 ppm1      0.871 ppm2      1.773 CV     1
 ASSI {  339}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
      5.000     3.100     1.000 peak   339 spectrum    1 weight  0.11000E+01 volume  0.17482E-03 ppm1      0.918 ppm2      1.770 CV     1
 ASSI {  340}
   (( segid "    " and resid 9    and name HG11))
   (( segid "    " and resid 9    and name HB  ))
      2.900     1.000     1.000 peak   340 spectrum    1 weight  0.11000E+01 volume  0.21579E-02 ppm1      1.198 ppm2      1.892 CV     1
 ASSI {  341}
   (( segid "    " and resid 4    and name HG11))
   (( segid "    " and resid 4    and name HB  ))
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.11000E+01 volume  0.19969E-02 ppm1      1.182 ppm2      1.875 CV     1
 ASSI {  342}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.11000E+01 volume  0.35105E-02 ppm1      1.239 ppm2      1.761 CV     1
 OR {  342}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  343}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   343 spectrum    1 weight  0.11000E+01 volume  0.26329E-02 ppm1      1.316 ppm2      1.763 CV     1
 OR {  343}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  343}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  343}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB1 ))
      2.100     0.600     0.600 peak   344 spectrum    1 weight  0.11000E+01 volume  0.24042E-01 ppm1      1.397 ppm2      1.760 CV     1
 OR {  344}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  345}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak   345 spectrum    1 weight  0.11000E+01 volume  0.27327E-02 ppm1      1.447 ppm2      1.743 CV     1
 OR {  345}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD1 ))
 OR {  345}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  347}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      1.400     0.300     0.800 peak   347 spectrum    1 weight  0.11000E+01 volume  0.21742E-01 ppm1      1.529 ppm2      1.770 CV     1
 ASSI {  348}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak   348 spectrum    1 weight  0.11000E+01 volume  0.51862E-02 ppm1      1.574 ppm2      1.827 CV     1
 ASSI {  349}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.11000E+01 volume  0.92265E-02 ppm1      1.578 ppm2      1.772 CV     1
 ASSI {  352}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      4.900     3.000     1.100 peak   352 spectrum    1 weight  0.11000E+01 volume  0.53027E-03 ppm1      1.673 ppm2      1.888 CV     1
 OR {  352}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  353}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      1.700     0.400     0.500 peak   353 spectrum    1 weight  0.11000E+01 volume  0.23411E-01 ppm1      1.542 ppm2      1.672 CV     1
 ASSI {  354}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HD1 ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.11000E+01 volume  0.36240E-02 ppm1      1.496 ppm2      1.667 CV     1
 OR {  354}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  357}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.300     0.700     0.700 peak   357 spectrum    1 weight  0.11000E+01 volume  0.90943E-02 ppm1      1.366 ppm2      1.618 CV     1
 OR {  357}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD1 ))
 OR {  357}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD2 ))
 OR {  357}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {  358}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD2 ))
      2.900     1.100     1.100 peak   358 spectrum    1 weight  0.11000E+01 volume  0.20133E-02 ppm1      1.311 ppm2      1.636 CV     1
 OR {  358}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD1 ))
 OR {  358}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD2 ))
 OR {  358}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI {  361}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HG2 ))
      1.700     0.300     0.500 peak   361 spectrum    1 weight  0.11000E+01 volume  0.14288E-01 ppm1      1.242 ppm2      1.394 CV     1
 ASSI {  362}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB1 ))
      3.000     1.100     1.100 peak   362 spectrum    1 weight  0.11000E+01 volume  0.30200E-02 ppm1      0.810 ppm2      1.625 CV     1
 ASSI {  363}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB1 ))
      2.300     0.700     0.700 peak   363 spectrum    1 weight  0.11000E+01 volume  0.50208E-02 ppm1      0.857 ppm2      1.626 CV     1
 ASSI {  364}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.11000E+01 volume  0.17546E-02 ppm1      0.920 ppm2      1.531 CV     1
 ASSI {  365}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HG  ))
      3.100     1.200     1.200 peak   365 spectrum    1 weight  0.11000E+01 volume  0.15651E-02 ppm1      0.914 ppm2      1.413 CV     1
 ASSI {  366}
   (  segid "    " and resid 21   and name HD2%)
   (  segid "    " and resid 22   and name HG2%)
      4.600     2.700     1.400 peak   366 spectrum    1 weight  0.11000E+01 volume  0.32702E-03 ppm1      0.921 ppm2      1.339 CV     1
 ASSI {  367}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HG  ))
      2.200     0.600     0.600 peak   367 spectrum    1 weight  0.11000E+01 volume  0.81582E-02 ppm1      0.861 ppm2      1.535 CV     1
 ASSI {  368}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HG  ))
      2.400     0.700     0.700 peak   368 spectrum    1 weight  0.11000E+01 volume  0.47430E-02 ppm1      0.810 ppm2      1.535 CV     1
 ASSI {  369}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HG12))
      2.300     0.700     0.700 peak   369 spectrum    1 weight  0.11000E+01 volume  0.75831E-02 ppm1      0.818 ppm2      1.457 CV     1
 ASSI {  371}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG  ))
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.11000E+01 volume  0.35530E-02 ppm1      0.868 ppm2      1.415 CV     1
 ASSI {  372}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HG11))
      4.000     2.000     2.000 peak   372 spectrum    1 weight  0.11000E+01 volume  0.18523E-02 ppm1      0.878 ppm2      1.190 CV     1
 ASSI {  373}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HG11))
      2.400     0.700     0.700 peak   373 spectrum    1 weight  0.11000E+01 volume  0.64526E-02 ppm1      0.818 ppm2      1.187 CV     1
 ASSI {  374}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.11000E+01 volume  0.41827E-02 ppm1      0.858 ppm2      1.673 CV     1
 ASSI {  376}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.11000E+01 volume  0.31027E-03 ppm1      1.363 ppm2      4.402 CV     1
 ASSI {  379}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   379 spectrum    1 weight  0.11000E+01 volume  0.30575E-03 ppm1      1.315 ppm2      3.995 CV     1
 OR {  379}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  380}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak   380 spectrum    1 weight  0.11000E+01 volume  0.46220E-02 ppm1      1.831 ppm2      4.282 CV     1
 ASSI {  382}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   382 spectrum    1 weight  0.11000E+01 volume  0.63907E-03 ppm1      3.978 ppm2      4.244 CV     1
 ASSI {  383}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
      4.500     2.600     1.500 peak   383 spectrum    1 weight  0.11000E+01 volume  0.79800E-03 ppm1      1.413 ppm2      4.359 CV     1
 ASSI {  384}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.11000E+01 volume  0.18791E-02 ppm1      0.810 ppm2      1.674 CV     1
 ASSI {  385}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB1 ))
      3.100     1.200     1.200 peak   385 spectrum    1 weight  0.11000E+01 volume  0.62964E-02 ppm1      0.875 ppm2      1.528 CV     1
 ASSI {  386}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      5.200     3.400     0.800 peak   386 spectrum    1 weight  0.11000E+01 volume  0.34586E-03 ppm1      3.932 ppm2      4.704 CV     1
 ASSI {  387}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.600     1.400 peak   387 spectrum    1 weight  0.11000E+01 volume  0.43339E-03 ppm1      2.498 ppm2      4.874 CV     1
 ASSI {  388}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak   388 spectrum    1 weight  0.11000E+01 volume  0.48347E-02 ppm1      7.333 ppm2      2.499 CV     1
 ASSI {  389}
   (( segid "    " and resid 17   and name HE  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   389 spectrum    1 weight  0.11000E+01 volume  0.36460E-03 ppm1      7.218 ppm2      1.831 CV     1
 ASSI {  390}
   (( segid "    " and resid 31   and name HE1 ))
   (( segid "    " and resid 31   and name HG2 ))
      5.300     3.500     0.700 peak   390 spectrum    1 weight  0.11000E+01 volume  0.61392E-04 ppm1      2.940 ppm2      1.384 CV     1
 OR {  390}
   (( segid "    " and resid 31   and name HE1 ))
   (( segid "    " and resid 31   and name HG1 ))
 OR {  390}
   (( segid "    " and resid 31   and name HE2 ))
   (( segid "    " and resid 31   and name HG2 ))
 OR {  390}
   (( segid "    " and resid 31   and name HE2 ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  391}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      5.900     4.300     0.100 peak   391 spectrum    1 weight  0.11000E+01 volume  0.55776E-04 ppm1      8.020 ppm2      1.538 CV     1
 ASSI {  392}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     6.000     0.000 peak   392 spectrum    1 weight  0.11000E+01 volume  0.56930E-04 ppm1      8.020 ppm2      1.628 CV     1
 ASSI {  393}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      6.000     6.000     0.000 peak   393 spectrum    1 weight  0.11000E+01 volume  0.32143E-04 ppm1      8.397 ppm2      3.167 CV     1
 OR {  393}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  394}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     6.000     0.000 peak   394 spectrum    1 weight  0.11000E+01 volume  0.35477E-04 ppm1      8.661 ppm2      1.574 CV     1
 ASSI {  395}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     5.500     0.000 peak   395 spectrum    1 weight  0.11000E+01 volume  0.45029E-04 ppm1      8.046 ppm2      4.483 CV     1
 ASSI {  396}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
      6.000     6.000     0.000 peak   396 spectrum    1 weight  0.11000E+01 volume  0.34658E-04 ppm1      7.991 ppm2      0.924 CV     1
 ASSI {  397}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     5.400     0.000 peak   397 spectrum    1 weight  0.11000E+01 volume  0.31582E-04 ppm1      9.580 ppm2      2.730 CV     1
 ASSI {  398}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      6.000     5.200     0.000 peak   398 spectrum    1 weight  0.11000E+01 volume  0.31373E-04 ppm1      9.584 ppm2      3.438 CV     1
 ASSI {  399}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      6.000     6.000     0.000 peak   399 spectrum    1 weight  0.11000E+01 volume  0.33978E-04 ppm1      8.735 ppm2      3.438 CV     1
 ASSI {  400}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      5.800     4.200     0.200 peak   400 spectrum    1 weight  0.11000E+01 volume  0.10813E-03 ppm1      1.241 ppm2      4.104 CV     1
 ASSI {  402}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     6.000     0.000 peak   402 spectrum    1 weight  0.11000E+01 volume  0.30217E-04 ppm1      9.893 ppm2      8.333 CV     1
 ASSI {  403}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak   403 spectrum    1 weight  0.11000E+01 volume  0.68343E-04 ppm1      8.210 ppm2      4.279 CV     1
 ASSI {  404}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.800     0.000 peak   404 spectrum    1 weight  0.11000E+01 volume  0.32164E-04 ppm1      7.992 ppm2      7.690 CV     1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   2           H        ALA   2  29.309 -11.763  -6.151
    2    HA   ALA   2           HA       ALA   2  28.469 -10.320  -3.720
    3   1HB   ALA   2          1HB       ALA   2  26.582 -11.145  -5.041
    4   2HB   ALA   2          3HB       ALA   2  27.241 -12.781  -4.958
    5   3HB   ALA   2          2HB       ALA   2  26.690 -11.973  -3.491
    6    H    ILE   4           H        ILE   4  30.239 -13.242   1.106
    7    HA   ILE   4           HA       ILE   4  29.371 -16.007   0.591
    8    HB   ILE   4           HB       ILE   4  30.627 -14.891   3.103
    9   1HG1  ILE   4          2HG1      ILE   4  31.901 -16.570   0.931
   10   2HG1  ILE   4          1HG1      ILE   4  32.137 -14.836   1.114
   11   1HG2  ILE   4          2HG2      ILE   4  30.065 -17.719   2.217
   12   2HG2  ILE   4          1HG2      ILE   4  30.963 -17.268   3.665
   13   3HG2  ILE   4          3HG2      ILE   4  29.258 -16.843   3.517
   14   1HD1  ILE   4          1HD1      ILE   4  33.138 -15.208   3.301
   15   2HD1  ILE   4          3HD1      ILE   4  32.907 -16.949   3.115
   16   3HD1  ILE   4          2HD1      ILE   4  34.000 -16.080   2.033
   17    H    VAL   5           H        VAL   5  27.189 -15.836   0.505
   18    HA   VAL   5           HA       VAL   5  25.073 -15.887   1.305
   19    HB   VAL   5           HB       VAL   5  26.320 -15.596   4.045
   20   1HG1  VAL   5          1HG1      VAL   5  23.610 -16.615   3.211
   21   2HG1  VAL   5          3HG1      VAL   5  24.261 -16.645   4.851
   22   3HG1  VAL   5          2HG1      VAL   5  23.942 -15.102   4.054
   23   1HG2  VAL   5          1HG2      VAL   5  25.582 -18.080   2.502
   24   2HG2  VAL   5          3HG2      VAL   5  27.217 -17.535   2.880
   25   3HG2  VAL   5          2HG2      VAL   5  26.135 -18.038   4.180
   26    H    LYS   6           H        LYS   6  23.778 -14.271   0.842
   27    HA   LYS   6           HA       LYS   6  24.312 -11.599   1.904
   28   1HB   LYS   6          2HB       LYS   6  22.412 -12.625  -0.195
   29   2HB   LYS   6          1HB       LYS   6  22.321 -10.984   0.418
   30   1HG   LYS   6          2HG       LYS   6  24.689 -10.659  -0.292
   31   2HG   LYS   6          1HG       LYS   6  24.611 -12.244  -1.062
   32   1HD   LYS   6          2HD       LYS   6  22.843 -11.505  -2.513
   33   2HD   LYS   6          1HD       LYS   6  22.735  -9.961  -1.667
   34   1HE   LYS   6          2HE       LYS   6  25.115 -10.951  -3.234
   35   2HE   LYS   6          1HE       LYS   6  23.948  -9.747  -3.783
   36   1HZ   LYS   6          2HZ       LYS   6  24.610  -8.338  -1.916
   37   2HZ   LYS   6          1HZ       LYS   6  25.772  -9.482  -1.449
   38   3HZ   LYS   6          3HZ       LYS   6  25.920  -8.675  -2.933
   39    H    ILE   9           H        ILE   9  16.673 -11.459   4.011
   40    HA   ILE   9           HA       ILE   9  16.075 -12.277   6.598
   41    HB   ILE   9           HB       ILE   9  14.451 -10.434   4.838
   42   1HG1  ILE   9          2HG1      ILE   9  16.662  -9.821   6.809
   43   2HG1  ILE   9          1HG1      ILE   9  16.832  -9.788   5.064
   44   1HG2  ILE   9          2HG2      ILE   9  14.527 -10.713   7.843
   45   2HG2  ILE   9          1HG2      ILE   9  13.662  -9.460   6.953
   46   3HG2  ILE   9          3HG2      ILE   9  13.184 -11.149   6.786
   47   1HD1  ILE   9          1HD1      ILE   9  15.028  -8.008   6.688
   48   2HD1  ILE   9          3HD1      ILE   9  16.578  -7.553   5.982
   49   3HD1  ILE   9          2HD1      ILE   9  15.224  -7.964   4.934
   50    H    LYS  10           H        LYS  10  14.885 -13.900   7.305
   51    HA   LYS  10           HA       LYS  10  13.057 -15.269   5.543
   52   1HB   LYS  10          2HB       LYS  10  13.691 -15.788   8.459
   53   2HB   LYS  10          1HB       LYS  10  12.812 -16.870   7.382
   54   1HG   LYS  10          2HG       LYS  10  14.832 -17.064   5.977
   55   2HG   LYS  10          1HG       LYS  10  15.698 -16.047   7.135
   56   1HD   LYS  10          2HD       LYS  10  15.234 -17.711   8.895
   57   2HD   LYS  10          1HD       LYS  10  14.454 -18.737   7.691
   58   1HE   LYS  10          2HE       LYS  10  17.340 -17.853   7.674
   59   2HE   LYS  10          1HE       LYS  10  16.750 -19.456   8.102
   60   1HZ   LYS  10          1HZ       LYS  10  15.849 -19.627   5.819
   61   2HZ   LYS  10          3HZ       LYS  10  16.593 -18.151   5.433
   62   3HZ   LYS  10          2HZ       LYS  10  17.538 -19.491   5.864
   63    H    ALA  11           H        ALA  11  10.851 -15.733   6.124
   64    HA   ALA  11           HA       ALA  11   8.725 -15.128   6.624
   65   1HB   ALA  11          1HB       ALA  11   9.943 -13.509   8.854
   66   2HB   ALA  11          2HB       ALA  11   9.458 -15.202   8.958
   67   3HB   ALA  11          3HB       ALA  11   8.242 -13.951   8.689
   68    H    LYS  13           H        LYS  13   6.993 -13.514   4.487
   69    HA   LYS  13           HA       LYS  13   6.626 -12.140   1.900
   70   1HB   LYS  13          2HB       LYS  13   7.526 -14.997   2.360
   71   2HB   LYS  13          1HB       LYS  13   7.236 -14.259   0.785
   72   1HG   LYS  13          2HG       LYS  13   9.440 -13.903   0.814
   73   2HG   LYS  13          1HG       LYS  13   9.035 -12.532   1.850
   74   1HD   LYS  13          2HD       LYS  13   9.392 -13.918   3.832
   75   2HD   LYS  13          1HD       LYS  13   9.781 -15.297   2.798
   76   1HE   LYS  13          2HE       LYS  13  11.835 -14.339   3.554
   77   2HE   LYS  13          1HE       LYS  13  11.657 -13.956   1.842
   78   1HZ   LYS  13          3HZ       LYS  13  10.814 -11.750   2.512
   79   2HZ   LYS  13          2HZ       LYS  13  11.120 -12.141   4.125
   80   3HZ   LYS  13          1HZ       LYS  13  12.407 -12.028   3.031
   81    H    LYS  14           H        LYS  14   5.463 -14.552   4.142
   82    HA   LYS  14           HA       LYS  14   3.359 -15.483   2.430
   83   1HB   LYS  14          2HB       LYS  14   4.501 -16.862   4.200
   84   2HB   LYS  14          1HB       LYS  14   3.667 -15.900   5.405
   85   1HG   LYS  14          2HG       LYS  14   2.488 -17.956   5.113
   86   2HG   LYS  14          1HG       LYS  14   1.506 -16.655   4.439
   87   1HD   LYS  14          2HD       LYS  14   2.145 -17.253   2.205
   88   2HD   LYS  14          1HD       LYS  14   3.332 -18.414   2.811
   89   1HE   LYS  14          2HE       LYS  14   0.348 -18.587   3.208
   90   2HE   LYS  14          1HE       LYS  14   1.281 -19.509   2.027
   91   1HZ   LYS  14          3HZ       LYS  14   1.673 -19.642   4.971
   92   2HZ   LYS  14          2HZ       LYS  14   0.803 -20.773   4.053
   93   3HZ   LYS  14          1HZ       LYS  14   2.469 -20.583   3.808
   94    H    LEU  15           H        LEU  15   2.360 -13.477   1.943
   95    HA   LEU  15           HA       LEU  15   0.559 -12.107   2.019
   96   1HB   LEU  15          2HB       LEU  15  -0.172 -13.696   4.480
   97   2HB   LEU  15          1HB       LEU  15  -1.231 -12.566   3.659
   98    HG   LEU  15           HG       LEU  15  -0.135 -15.115   2.462
   99   1HD1  LEU  15          2HD1      LEU  15  -1.785 -15.534   4.202
  100   2HD1  LEU  15          1HD1      LEU  15  -2.909 -14.422   3.417
  101   3HD1  LEU  15          3HD1      LEU  15  -2.434 -15.916   2.605
  102   1HD2  LEU  15          2HD2      LEU  15  -2.106 -13.110   1.369
  103   2HD2  LEU  15          1HD2      LEU  15  -0.472 -13.398   0.775
  104   3HD2  LEU  15          3HD2      LEU  15  -1.701 -14.657   0.631
  105    H    CYS  16           H        CYS  16   3.068 -11.785   3.913
  106    HA   CYS  16           HA       CYS  16   1.920  -9.526   5.424
  107   1HB   CYS  16          2HB       CYS  16   3.784  -9.864   7.036
  108   2HB   CYS  16          1HB       CYS  16   2.660 -11.209   6.958
  109    H    ARG  17           H        ARG  17   2.968  -9.499   2.678
  110    HA   ARG  17           HA       ARG  17   5.551  -8.234   2.900
  111   1HB   ARG  17          2HB       ARG  17   3.802  -8.761   0.500
  112   2HB   ARG  17          1HB       ARG  17   5.361  -7.951   0.407
  113   1HG   ARG  17          2HG       ARG  17   6.363 -10.002   1.472
  114   2HG   ARG  17          1HG       ARG  17   4.804 -10.788   1.227
  115   1HD   ARG  17          2HD       ARG  17   6.468  -9.553  -0.955
  116   2HD   ARG  17          1HD       ARG  17   6.450 -11.267  -0.553
  117    HE   ARG  17           HE       ARG  17   4.085 -11.274  -1.208
  118   1HH1  ARG  17          1HH1      ARG  17   6.114  -8.629  -2.303
  119   2HH1  ARG  17          2HH1      ARG  17   5.122  -8.281  -3.695
  120   1HH2  ARG  17          1HH2      ARG  17   2.791 -10.836  -3.050
  121   2HH2  ARG  17          2HH2      ARG  17   3.240  -9.535  -4.115
  122    H    GLY  18           H        GLY  18   2.543  -7.225   3.441
  123   1HA   GLY  18          1HA       GLY  18   3.377  -4.466   3.466
  124   2HA   GLY  18          2HA       GLY  18   1.847  -5.098   4.054
  125    H    PHE  19           H        PHE  19   2.803  -5.867   0.839
  126    HA   PHE  19           HA       PHE  19   1.478  -3.596  -0.348
  127   1HB   PHE  19          2HB       PHE  19   3.530  -4.541  -1.341
  128   2HB   PHE  19          1HB       PHE  19   2.679  -6.054  -1.638
  129    HD1  PHE  19          1HD       PHE  19   2.600  -2.430  -2.455
  130    HD2  PHE  19          2HD       PHE  19   1.525  -6.377  -3.631
  131    HE1  PHE  19          1HE       PHE  19   1.857  -1.572  -4.644
  132    HE2  PHE  19          2HE       PHE  19   0.787  -5.529  -5.819
  133    HZ   PHE  19           HZ       PHE  19   0.951  -3.124  -6.328
  134    H    LEU  21           H        LEU  21  -2.515  -3.305   0.675
  135    HA   LEU  21           HA       LEU  21  -3.769  -5.268   2.444
  136   1HB   LEU  21          2HB       LEU  21  -1.881  -3.671   3.155
  137   2HB   LEU  21          1HB       LEU  21  -3.098  -2.411   3.123
  138    HG   LEU  21           HG       LEU  21  -3.404  -4.888   4.822
  139   1HD1  LEU  21          2HD1      LEU  21  -2.162  -2.242   5.571
  140   2HD1  LEU  21          1HD1      LEU  21  -2.578  -3.539   6.694
  141   3HD1  LEU  21          3HD1      LEU  21  -1.335  -3.798   5.470
  142   1HD2  LEU  21          3HD2      LEU  21  -4.632  -2.133   4.962
  143   2HD2  LEU  21          2HD2      LEU  21  -5.442  -3.606   4.431
  144   3HD2  LEU  21          1HD2      LEU  21  -4.916  -3.445   6.107
  145    H    CYS  23           H        CYS  23  -6.163  -4.443  -0.652
  146    HA   CYS  23           HA       CYS  23  -7.208  -2.023  -1.900
  147   1HB   CYS  23          2HB       CYS  23  -5.582  -2.767  -3.756
  148   2HB   CYS  23          1HB       CYS  23  -4.900  -2.185  -2.237
  149    H    GLY  24           H        GLY  24  -6.665  -5.377  -2.953
  150   1HA   GLY  24          1HA       GLY  24  -7.851  -6.592  -4.555
  151   2HA   GLY  24          2HA       GLY  24  -8.932  -5.219  -4.757
  152    H    CYS  25           H        CYS  25  -9.953  -4.757  -2.347
  153    HA   CYS  25           HA       CYS  25 -11.490  -7.186  -1.849
  154   1HB   CYS  25          2HB       CYS  25 -11.340  -6.965   0.553
  155   2HB   CYS  25          1HB       CYS  25  -9.734  -7.155  -0.121
  156    H    HIS  26           H        HIS  26 -13.565  -6.847  -1.536
  157    HA   HIS  26           HA       HIS  26 -14.539  -4.178  -0.793
  158   1HB   HIS  26          2HB       HIS  26 -14.547  -4.488  -3.329
  159   2HB   HIS  26          1HB       HIS  26 -15.755  -5.744  -3.092
  160    HD1  HIS  26          1HD       HIS  26 -18.159  -4.994  -2.531
  161    HD2  HIS  26          2HD       HIS  26 -15.456  -1.847  -2.881
  162    HE1  HIS  26          1HE       HIS  26 -19.555  -2.907  -2.643
  163    HE2  HIS  26          2HE       HIS  26 -17.907  -1.002  -2.784
  164    H    PHE  27           H        PHE  27 -14.309  -6.241   0.892
  165    HA   PHE  27           HA       PHE  27 -16.703  -7.858   0.933
  166   1HB   PHE  27          2HB       PHE  27 -14.454  -7.630   2.948
  167   2HB   PHE  27          1HB       PHE  27 -15.726  -8.847   2.962
  168    HD1  PHE  27          1HD       PHE  27 -15.937 -10.254   0.759
  169    HD2  PHE  27          2HD       PHE  27 -12.444  -8.147   1.961
  170    HE1  PHE  27          1HE       PHE  27 -14.571 -11.712  -0.666
  171    HE2  PHE  27          2HE       PHE  27 -11.069  -9.601   0.536
  172    HZ   PHE  27           HZ       PHE  27 -12.135 -11.387  -0.778
  173    H    GLY  29           H        GLY  29 -16.885  -4.369   4.189
  174   1HA   GLY  29          1HA       GLY  29 -15.432  -3.471   5.844
  175   2HA   GLY  29          2HA       GLY  29 -16.286  -4.403   7.068
  176    H    LYS  30           H        LYS  30 -18.874  -3.742   6.539
  177    HA   LYS  30           HA       LYS  30 -19.014  -0.951   7.343
  178   1HB   LYS  30          2HB       LYS  30 -19.245  -0.789   4.943
  179   2HB   LYS  30          1HB       LYS  30 -20.407  -2.107   4.918
  180   1HG   LYS  30          2HG       LYS  30 -21.933  -0.668   6.282
  181   2HG   LYS  30          1HG       LYS  30 -20.797   0.658   6.031
  182   1HD   LYS  30          2HD       LYS  30 -21.132   0.559   3.652
  183   2HD   LYS  30          1HD       LYS  30 -22.116  -0.897   3.812
  184   1HE   LYS  30          2HE       LYS  30 -22.802   1.814   4.938
  185   2HE   LYS  30          1HE       LYS  30 -23.479   1.120   3.467
  186   1HZ   LYS  30          2HZ       LYS  30 -23.740  -0.103   6.168
  187   2HZ   LYS  30          1HZ       LYS  30 -24.922   0.861   5.430
  188   3HZ   LYS  30          3HZ       LYS  30 -24.489  -0.623   4.736
  189    H    LYS  31           H        LYS  31 -20.870  -0.473   8.535
  190    HA   LYS  31           HA       LYS  31 -22.456  -2.758   9.393
  191   1HB   LYS  31          2HB       LYS  31 -22.440   0.119  10.326
  192   2HB   LYS  31          1HB       LYS  31 -23.447  -1.150  11.013
  193   1HG   LYS  31          2HG       LYS  31 -21.382  -2.386  11.623
  194   2HG   LYS  31          1HG       LYS  31 -20.437  -1.010  11.046
  195   1HD   LYS  31          2HD       LYS  31 -20.710  -0.911  13.463
  196   2HD   LYS  31          1HD       LYS  31 -21.555   0.431  12.689
  197   1HE   LYS  31          2HE       LYS  31 -23.670  -0.749  12.912
  198   2HE   LYS  31          1HE       LYS  31 -22.844  -2.137  13.609
  199   1HZ   LYS  31          1HZ       LYS  31 -22.949   0.586  14.801
  200   2HZ   LYS  31          3HZ       LYS  31 -23.879  -0.747  15.297
  201   3HZ   LYS  31          2HZ       LYS  31 -22.192  -0.773  15.481

  No H/Q in entry =         201
  Start of MODEL    2
    1    H    ALA   2           H        ALA   2   7.528  24.614  -2.294
    2    HA   ALA   2           HA       ALA   2   9.132  24.955  -4.731
    3   1HB   ALA   2          1HB       ALA   2   7.786  22.476  -3.646
    4   2HB   ALA   2          3HB       ALA   2   8.830  22.553  -5.068
    5   3HB   ALA   2          2HB       ALA   2   9.493  22.886  -3.468
    6    H    ILE   4           H        ILE   4   6.082  23.544  -7.225
    7    HA   ILE   4           HA       ILE   4   3.806  22.558  -8.700
    8    HB   ILE   4           HB       ILE   4   5.293  22.014 -10.488
    9   1HG1  ILE   4          2HG1      ILE   4   7.088  20.979  -9.082
   10   2HG1  ILE   4          1HG1      ILE   4   7.695  22.030 -10.355
   11   1HG2  ILE   4          2HG2      ILE   4   6.149  24.588  -9.178
   12   2HG2  ILE   4          1HG2      ILE   4   6.425  24.162 -10.865
   13   3HG2  ILE   4          3HG2      ILE   4   4.779  24.357 -10.267
   14   1HD1  ILE   4          3HD1      ILE   4   8.073  23.795  -8.710
   15   2HD1  ILE   4          2HD1      ILE   4   7.469  22.733  -7.439
   16   3HD1  ILE   4          1HD1      ILE   4   8.947  22.316  -8.301
   17    H    VAL   5           H        VAL   5   4.777  21.356  -6.124
   18    HA   VAL   5           HA       VAL   5   5.294  18.612  -7.003
   19    HB   VAL   5           HB       VAL   5   5.727  18.201  -4.516
   20   1HG1  VAL   5          2HG1      VAL   5   7.505  18.338  -6.177
   21   2HG1  VAL   5          1HG1      VAL   5   7.529  20.095  -6.021
   22   3HG1  VAL   5          3HG1      VAL   5   8.009  19.082  -4.662
   23   1HG2  VAL   5          2HG2      VAL   5   4.657  20.219  -3.641
   24   2HG2  VAL   5          1HG2      VAL   5   6.360  20.170  -3.195
   25   3HG2  VAL   5          3HG2      VAL   5   5.826  21.222  -4.501
   26    H    LYS   6           H        LYS   6   3.058  18.474  -7.722
   27    HA   LYS   6           HA       LYS   6   0.934  18.485  -5.808
   28   1HB   LYS   6          2HB       LYS   6   1.057  17.322  -8.599
   29   2HB   LYS   6          1HB       LYS   6  -0.406  17.443  -7.625
   30   1HG   LYS   6          2HG       LYS   6   1.263  19.737  -8.642
   31   2HG   LYS   6          1HG       LYS   6  -0.325  19.245  -9.235
   32   1HD   LYS   6          2HD       LYS   6   0.271  20.213  -6.438
   33   2HD   LYS   6          1HD       LYS   6  -0.442  21.192  -7.723
   34   1HE   LYS   6          2HE       LYS   6  -2.389  19.792  -7.790
   35   2HE   LYS   6          1HE       LYS   6  -1.653  18.635  -6.678
   36   1HZ   LYS   6          2HZ       LYS   6  -1.666  20.351  -4.968
   37   2HZ   LYS   6          1HZ       LYS   6  -2.414  21.440  -6.032
   38   3HZ   LYS   6          3HZ       LYS   6  -3.232  20.038  -5.531
   39    H    ILE   9           H        ILE   9   4.750  13.887  -2.705
   40    HA   ILE   9           HA       ILE   9   7.411  14.553  -1.690
   41    HB   ILE   9           HB       ILE   9   4.912  13.778  -0.172
   42   1HG1  ILE   9          2HG1      ILE   9   6.149  16.513  -0.590
   43   2HG1  ILE   9          1HG1      ILE   9   4.681  15.934  -1.371
   44   1HG2  ILE   9          3HG2      ILE   9   7.565  14.871   0.755
   45   2HG2  ILE   9          2HG2      ILE   9   6.142  14.675   1.773
   46   3HG2  ILE   9          1HG2      ILE   9   6.919  13.259   1.068
   47   1HD1  ILE   9          2HD1      ILE   9   5.062  16.338   1.583
   48   2HD1  ILE   9          1HD1      ILE   9   4.180  17.406   0.492
   49   3HD1  ILE   9          3HD1      ILE   9   3.588  15.774   0.793
   50    H    LYS  10           H        LYS  10   8.841  12.948  -1.705
   51    HA   LYS  10           HA       LYS  10   8.007  10.213  -1.879
   52   1HB   LYS  10          2HB       LYS  10  10.747  11.467  -1.663
   53   2HB   LYS  10          1HB       LYS  10  10.473   9.738  -1.843
   54   1HG   LYS  10          2HG       LYS  10   9.327  10.153  -3.975
   55   2HG   LYS  10          1HG       LYS  10   9.660  11.877  -3.797
   56   1HD   LYS  10          2HD       LYS  10  11.788   9.744  -3.888
   57   2HD   LYS  10          1HD       LYS  10  11.242  10.647  -5.300
   58   1HE   LYS  10          2HE       LYS  10  11.887  12.746  -4.134
   59   2HE   LYS  10          1HE       LYS  10  12.544  11.771  -2.824
   60   1HZ   LYS  10          2HZ       LYS  10  13.446  11.663  -5.652
   61   2HZ   LYS  10          1HZ       LYS  10  14.249  12.482  -4.402
   62   3HZ   LYS  10          3HZ       LYS  10  14.111  10.790  -4.360
   63    H    ALA  11           H        ALA  11   6.783  10.492   0.130
   64    HA   ALA  11           HA       ALA  11   8.022   9.011   2.210
   65   1HB   ALA  11          3HB       ALA  11   8.924  11.212   2.819
   66   2HB   ALA  11          1HB       ALA  11   7.766  10.643   4.023
   67   3HB   ALA  11          2HB       ALA  11   7.290  11.874   2.850
   68    H    LYS  13           H        LYS  13   5.428   7.609   0.141
   69    HA   LYS  13           HA       LYS  13   2.991   7.989  -1.451
   70   1HB   LYS  13          2HB       LYS  13   5.002   9.531  -1.749
   71   2HB   LYS  13          1HB       LYS  13   5.850   8.144  -2.418
   72   1HG   LYS  13          2HG       LYS  13   5.107   9.057  -4.346
   73   2HG   LYS  13          1HG       LYS  13   3.701   8.059  -3.969
   74   1HD   LYS  13          2HD       LYS  13   3.991  10.970  -3.231
   75   2HD   LYS  13          1HD       LYS  13   3.134  10.382  -4.649
   76   1HE   LYS  13          2HE       LYS  13   2.432   9.579  -1.834
   77   2HE   LYS  13          1HE       LYS  13   1.693  10.944  -2.675
   78   1HZ   LYS  13          3HZ       LYS  13   1.681   8.222  -3.836
   79   2HZ   LYS  13          2HZ       LYS  13   0.481   8.729  -2.748
   80   3HZ   LYS  13          1HZ       LYS  13   0.688   9.539  -4.223
   81    H    LYS  14           H        LYS  14   2.252   5.873  -1.294
   82    HA   LYS  14           HA       LYS  14   1.901   3.767  -2.064
   83   1HB   LYS  14          2HB       LYS  14   2.674   4.487  -4.263
   84   2HB   LYS  14          1HB       LYS  14   4.345   4.249  -3.773
   85   1HG   LYS  14          2HG       LYS  14   3.874   1.839  -3.479
   86   2HG   LYS  14          1HG       LYS  14   2.244   2.114  -4.090
   87   1HD   LYS  14          2HD       LYS  14   3.087   2.771  -6.231
   88   2HD   LYS  14          1HD       LYS  14   4.748   2.782  -5.630
   89   1HE   LYS  14          2HE       LYS  14   4.614   0.374  -5.231
   90   2HE   LYS  14          1HE       LYS  14   2.959   0.362  -5.835
   91   1HZ   LYS  14          1HZ       LYS  14   5.250   1.280  -7.476
   92   2HZ   LYS  14          3HZ       LYS  14   4.749  -0.337  -7.435
   93   3HZ   LYS  14          2HZ       LYS  14   3.689   0.859  -8.000
   94    H    LEU  15           H        LEU  15   2.511   1.668  -1.543
   95    HA   LEU  15           HA       LEU  15   3.595  -0.044  -0.541
   96   1HB   LEU  15          2HB       LEU  15   5.960   1.825  -0.474
   97   2HB   LEU  15          1HB       LEU  15   6.004   0.163   0.069
   98    HG   LEU  15           HG       LEU  15   5.445   1.053  -2.760
   99   1HD1  LEU  15          2HD1      LEU  15   7.763   1.418  -2.089
  100   2HD1  LEU  15          1HD1      LEU  15   7.877  -0.250  -1.536
  101   3HD1  LEU  15          3HD1      LEU  15   7.639   0.090  -3.246
  102   1HD2  LEU  15          2HD2      LEU  15   5.776  -1.711  -1.586
  103   2HD2  LEU  15          1HD2      LEU  15   4.276  -1.011  -2.193
  104   3HD2  LEU  15          3HD2      LEU  15   5.613  -1.330  -3.304
  105    H    CYS  16           H        CYS  16   4.700   2.948   1.032
  106    HA   CYS  16           HA       CYS  16   4.359   1.805   3.633
  107   1HB   CYS  16          2HB       CYS  16   4.797   4.203   4.377
  108   2HB   CYS  16          1HB       CYS  16   6.077   3.407   3.477
  109    H    ARG  17           H        ARG  17   2.366   1.320   4.270
  110    HA   ARG  17           HA       ARG  17   0.142   1.429   4.708
  111   1HB   ARG  17          2HB       ARG  17   0.684   4.405   4.619
  112   2HB   ARG  17          1HB       ARG  17  -0.834   3.697   5.154
  113   1HG   ARG  17          2HG       ARG  17   0.362   2.514   6.940
  114   2HG   ARG  17          1HG       ARG  17   1.869   3.264   6.409
  115   1HD   ARG  17          2HD       ARG  17   0.954   4.454   8.314
  116   2HD   ARG  17          1HD       ARG  17   0.908   5.475   6.878
  117    HE   ARG  17           HE       ARG  17  -1.463   5.114   6.758
  118   1HH1  ARG  17          1HH1      ARG  17   0.048   3.910   9.678
  119   2HH1  ARG  17          2HH1      ARG  17  -1.411   3.985  10.620
  120   1HH2  ARG  17          1HH2      ARG  17  -3.397   5.195   7.991
  121   2HH2  ARG  17          2HH2      ARG  17  -3.359   4.699   9.661
  122    H    GLY  18           H        GLY  18   1.284   1.507   1.975
  123   1HA   GLY  18          1HA       GLY  18   0.177   2.702  -0.054
  124   2HA   GLY  18          2HA       GLY  18  -1.258   1.905   0.584
  125    H    PHE  19           H        PHE  19  -0.312  -0.473   1.391
  126    HA   PHE  19           HA       PHE  19   0.982  -1.693  -0.941
  127   1HB   PHE  19          2HB       PHE  19   1.988  -1.923   1.402
  128   2HB   PHE  19          1HB       PHE  19   0.616  -2.963   1.768
  129    HD1  PHE  19          1HD       PHE  19   2.507  -2.794  -1.412
  130    HD2  PHE  19          2HD       PHE  19   1.680  -5.019   2.119
  131    HE1  PHE  19          1HE       PHE  19   3.751  -4.705  -2.325
  132    HE2  PHE  19          2HE       PHE  19   2.916  -6.940   1.197
  133    HZ   PHE  19           HZ       PHE  19   3.950  -6.784  -1.024
  134    H    LEU  21           H        LEU  21  -2.406  -3.459   0.977
  135    HA   LEU  21           HA       LEU  21  -3.978  -5.677   2.035
  136   1HB   LEU  21          2HB       LEU  21  -3.819  -4.652   4.188
  137   2HB   LEU  21          1HB       LEU  21  -2.223  -4.719   3.481
  138    HG   LEU  21           HG       LEU  21  -3.868  -2.199   3.370
  139   1HD1  LEU  21          1HD1      LEU  21  -3.732  -2.887   5.724
  140   2HD1  LEU  21          3HD1      LEU  21  -1.981  -3.037   5.572
  141   3HD1  LEU  21          2HD1      LEU  21  -2.751  -1.459   5.401
  142   1HD2  LEU  21          1HD2      LEU  21  -1.889  -2.332   1.929
  143   2HD2  LEU  21          3HD2      LEU  21  -1.675  -1.143   3.213
  144   3HD2  LEU  21          2HD2      LEU  21  -0.897  -2.721   3.340
  145    H    CYS  23           H        CYS  23  -5.993  -4.329  -0.615
  146    HA   CYS  23           HA       CYS  23  -7.112  -2.071  -2.050
  147   1HB   CYS  23          2HB       CYS  23  -5.355  -2.794  -3.770
  148   2HB   CYS  23          1HB       CYS  23  -4.771  -2.209  -2.217
  149    H    GLY  24           H        GLY  24  -6.864  -5.574  -2.368
  150   1HA   GLY  24          1HA       GLY  24  -7.805  -6.900  -4.099
  151   2HA   GLY  24          2HA       GLY  24  -8.751  -5.508  -4.612
  152    H    CYS  25           H        CYS  25  -9.862  -4.749  -2.173
  153    HA   CYS  25           HA       CYS  25 -11.755  -6.952  -1.783
  154   1HB   CYS  25          2HB       CYS  25 -11.828  -6.511   0.631
  155   2HB   CYS  25          1HB       CYS  25 -10.234  -7.047   0.118
  156    H    HIS  26           H        HIS  26 -13.688  -6.025  -0.411
  157    HA   HIS  26           HA       HIS  26 -15.454  -4.625  -0.284
  158   1HB   HIS  26          2HB       HIS  26 -13.895  -3.015   0.680
  159   2HB   HIS  26          1HB       HIS  26 -13.426  -2.475  -0.921
  160    HD1  HIS  26          1HD       HIS  26 -14.701  -0.547  -1.846
  161    HD2  HIS  26          2HD       HIS  26 -16.712  -2.413   1.275
  162    HE1  HIS  26          1HE       HIS  26 -16.725   0.882  -1.381
  163    HE2  HIS  26          2HE       HIS  26 -17.984  -0.324   0.430
  164    H    PHE  27           H        PHE  27 -16.626  -5.422  -1.935
  165    HA   PHE  27           HA       PHE  27 -16.095  -4.443  -4.634
  166   1HB   PHE  27          2HB       PHE  27 -17.703  -6.169  -5.358
  167   2HB   PHE  27          1HB       PHE  27 -16.380  -6.848  -4.417
  168    HD1  PHE  27          1HD       PHE  27 -16.768  -7.658  -2.133
  169    HD2  PHE  27          2HD       PHE  27 -19.963  -6.261  -4.580
  170    HE1  PHE  27          1HE       PHE  27 -18.383  -8.750  -0.639
  171    HE2  PHE  27          2HE       PHE  27 -21.586  -7.350  -3.077
  172    HZ   PHE  27           HZ       PHE  27 -20.795  -8.597  -1.106
  173    H    GLY  29           H        GLY  29 -20.098  -4.571  -6.572
  174   1HA   GLY  29          1HA       GLY  29 -22.941  -4.326  -5.789
  175   2HA   GLY  29          2HA       GLY  29 -22.114  -5.875  -5.916
  176    H    LYS  30           H        LYS  30 -24.266  -4.013  -7.438
  177    HA   LYS  30           HA       LYS  30 -23.296  -4.700 -10.140
  178   1HB   LYS  30          2HB       LYS  30 -24.993  -6.333  -9.332
  179   2HB   LYS  30          1HB       LYS  30 -26.133  -5.013  -9.140
  180   1HG   LYS  30          2HG       LYS  30 -26.615  -6.162 -11.173
  181   2HG   LYS  30          1HG       LYS  30 -25.962  -4.570 -11.565
  182   1HD   LYS  30          2HD       LYS  30 -23.732  -5.647 -11.884
  183   2HD   LYS  30          1HD       LYS  30 -24.514  -7.215 -11.670
  184   1HE   LYS  30          2HE       LYS  30 -25.052  -5.189 -13.838
  185   2HE   LYS  30          1HE       LYS  30 -24.280  -6.762 -14.027
  186   1HZ   LYS  30          3HZ       LYS  30 -26.393  -7.776 -13.284
  187   2HZ   LYS  30          2HZ       LYS  30 -27.111  -6.240 -13.298
  188   3HZ   LYS  30          1HZ       LYS  30 -26.531  -6.921 -14.738
  189    H    LYS  31           H        LYS  31 -23.967  -2.241  -8.154
  190    HA   LYS  31           HA       LYS  31 -24.852  -0.489 -10.294
  191   1HB   LYS  31          2HB       LYS  31 -26.905  -1.325  -9.096
  192   2HB   LYS  31          1HB       LYS  31 -26.293  -0.554  -7.640
  193   1HG   LYS  31          2HG       LYS  31 -27.952   0.839  -8.703
  194   2HG   LYS  31          1HG       LYS  31 -26.370   1.621  -8.776
  195   1HD   LYS  31          2HD       LYS  31 -26.091   0.848 -11.076
  196   2HD   LYS  31          1HD       LYS  31 -27.663   0.049 -10.998
  197   1HE   LYS  31          2HE       LYS  31 -28.715   2.241 -10.574
  198   2HE   LYS  31          1HE       LYS  31 -27.137   3.007 -10.764
  199   1HZ   LYS  31          3HZ       LYS  31 -28.533   1.421 -12.847
  200   2HZ   LYS  31          2HZ       LYS  31 -28.443   3.115 -12.794
  201   3HZ   LYS  31          1HZ       LYS  31 -27.037   2.195 -13.021

  No H/Q in entry =         201
  Start of MODEL    3
    1    H    ALA   2           H        ALA   2  -7.211  14.563  -6.034
    2    HA   ALA   2           HA       ALA   2  -7.294  16.095  -4.374
    3   1HB   ALA   2          3HB       ALA   2  -4.552  15.123  -3.584
    4   2HB   ALA   2          2HB       ALA   2  -5.680  16.047  -2.581
    5   3HB   ALA   2          1HB       ALA   2  -6.076  14.398  -3.071
    6    H    ILE   4           H        ILE   4  -1.227  19.080  -5.858
    7    HA   ILE   4           HA       ILE   4  -1.376  18.931  -8.746
    8    HB   ILE   4           HB       ILE   4   1.008  19.608  -7.005
    9   1HG1  ILE   4          2HG1      ILE   4  -0.942  21.438  -8.431
   10   2HG1  ILE   4          1HG1      ILE   4  -0.872  21.181  -6.685
   11   1HG2  ILE   4          2HG2      ILE   4   0.500  20.022  -9.956
   12   2HG2  ILE   4          1HG2      ILE   4   1.908  20.610  -9.070
   13   3HG2  ILE   4          3HG2      ILE   4   1.634  18.876  -9.242
   14   1HD1  ILE   4          1HD1      ILE   4   1.305  22.383  -8.382
   15   2HD1  ILE   4          3HD1      ILE   4   0.199  23.262  -7.325
   16   3HD1  ILE   4          2HD1      ILE   4   1.369  22.137  -6.640
   17    H    VAL   5           H        VAL   5  -1.478  16.810  -9.337
   18    HA   VAL   5           HA       VAL   5   0.531  14.986  -8.273
   19    HB   VAL   5           HB       VAL   5  -1.684  14.068  -8.313
   20   1HG1  VAL   5          1HG1      VAL   5  -1.735  14.654 -11.270
   21   2HG1  VAL   5          3HG1      VAL   5  -2.958  13.745 -10.387
   22   3HG1  VAL   5          2HG1      VAL   5  -2.697  15.452 -10.032
   23   1HG2  VAL   5          2HG2      VAL   5   0.018  12.868 -10.495
   24   2HG2  VAL   5          1HG2      VAL   5   0.098  12.504  -8.771
   25   3HG2  VAL   5          3HG2      VAL   5  -1.333  12.058  -9.704
   26    H    LYS   6           H        LYS   6   2.417  15.103  -9.200
   27    HA   LYS   6           HA       LYS   6   2.574  15.517 -12.110
   28   1HB   LYS   6          2HB       LYS   6   4.793  16.477 -11.723
   29   2HB   LYS   6          1HB       LYS   6   3.575  17.329 -10.783
   30   1HG   LYS   6          2HG       LYS   6   4.248  15.851  -8.844
   31   2HG   LYS   6          1HG       LYS   6   5.638  15.375  -9.813
   32   1HD   LYS   6          2HD       LYS   6   4.942  18.189  -8.957
   33   2HD   LYS   6          1HD       LYS   6   6.216  17.182  -8.274
   34   1HE   LYS   6          2HE       LYS   6   7.409  18.506  -9.732
   35   2HE   LYS   6          1HE       LYS   6   7.084  17.098 -10.734
   36   1HZ   LYS   6          2HZ       LYS   6   5.468  19.595 -10.760
   37   2HZ   LYS   6          1HZ       LYS   6   6.689  19.223 -11.869
   38   3HZ   LYS   6          3HZ       LYS   6   5.295  18.268 -11.804
   39    H    ILE   9           H        ILE   9   6.985   9.795  -8.169
   40    HA   ILE   9           HA       ILE   9   8.597   7.454  -8.420
   41    HB   ILE   9           HB       ILE   9   6.568   8.188  -6.293
   42   1HG1  ILE   9          2HG1      ILE   9   9.582   8.495  -6.338
   43   2HG1  ILE   9          1HG1      ILE   9   8.428   9.809  -6.537
   44   1HG2  ILE   9          2HG2      ILE   9   7.013   5.796  -6.310
   45   2HG2  ILE   9          1HG2      ILE   9   8.746   6.103  -6.265
   46   3HG2  ILE   9          3HG2      ILE   9   7.737   6.549  -4.895
   47   1HD1  ILE   9          3HD1      ILE   9   8.741   8.102  -4.082
   48   2HD1  ILE   9          2HD1      ILE   9   9.343   9.746  -4.289
   49   3HD1  ILE   9          1HD1      ILE   9   7.606   9.439  -4.279
   50    H    LYS  10           H        LYS  10   8.047   5.421  -8.981
   51    HA   LYS  10           HA       LYS  10   5.284   4.996  -9.872
   52   1HB   LYS  10          2HB       LYS  10   7.757   3.353 -10.450
   53   2HB   LYS  10          1HB       LYS  10   6.168   3.119 -11.162
   54   1HG   LYS  10          2HG       LYS  10   7.951   5.514 -11.538
   55   2HG   LYS  10          1HG       LYS  10   7.642   4.239 -12.719
   56   1HD   LYS  10          2HD       LYS  10   5.254   4.864 -12.718
   57   2HD   LYS  10          1HD       LYS  10   5.622   6.182 -11.602
   58   1HE   LYS  10          2HE       LYS  10   6.711   5.850 -14.397
   59   2HE   LYS  10          1HE       LYS  10   5.471   6.996 -13.899
   60   1HZ   LYS  10          3HZ       LYS  10   7.170   7.969 -12.369
   61   2HZ   LYS  10          2HZ       LYS  10   8.331   6.980 -13.102
   62   3HZ   LYS  10          1HZ       LYS  10   7.526   8.155 -14.018
   63    H    ALA  11           H        ALA  11   4.046   3.277  -9.149
   64    HA   ALA  11           HA       ALA  11   4.803   2.168  -6.586
   65   1HB   ALA  11          1HB       ALA  11   2.556   1.223  -6.563
   66   2HB   ALA  11          3HB       ALA  11   2.513   2.939  -6.960
   67   3HB   ALA  11          2HB       ALA  11   2.311   1.736  -8.225
   68    H    LYS  13           H        LYS  13   7.744  -1.245  -9.355
   69    HA   LYS  13           HA       LYS  13   9.974  -1.296  -9.649
   70   1HB   LYS  13          2HB       LYS  13  10.129  -0.310  -6.804
   71   2HB   LYS  13          1HB       LYS  13  11.395  -0.197  -8.016
   72   1HG   LYS  13          2HG       LYS  13   8.730   1.204  -8.079
   73   2HG   LYS  13          1HG       LYS  13  10.297   1.937  -7.740
   74   1HD   LYS  13          2HD       LYS  13   9.592   0.566 -10.327
   75   2HD   LYS  13          1HD       LYS  13   9.468   2.303 -10.059
   76   1HE   LYS  13          2HE       LYS  13  12.006   0.698  -9.774
   77   2HE   LYS  13          1HE       LYS  13  11.553   1.615 -11.211
   78   1HZ   LYS  13          2HZ       LYS  13  11.525   3.623  -9.837
   79   2HZ   LYS  13          1HZ       LYS  13  12.029   2.723  -8.500
   80   3HZ   LYS  13          3HZ       LYS  13  13.050   2.887  -9.838
   81    H    LYS  14           H        LYS  14  10.110  -2.064  -6.190
   82    HA   LYS  14           HA       LYS  14  10.768  -4.844  -6.821
   83   1HB   LYS  14          2HB       LYS  14  12.586  -2.926  -5.370
   84   2HB   LYS  14          1HB       LYS  14  12.697  -4.663  -5.143
   85   1HG   LYS  14          2HG       LYS  14  13.012  -3.227  -7.761
   86   2HG   LYS  14          1HG       LYS  14  14.328  -3.837  -6.757
   87   1HD   LYS  14          2HD       LYS  14  13.348  -6.120  -6.992
   88   2HD   LYS  14          1HD       LYS  14  12.180  -5.452  -8.130
   89   1HE   LYS  14          2HE       LYS  14  14.023  -6.470  -9.332
   90   2HE   LYS  14          1HE       LYS  14  14.042  -4.722  -9.565
   91   1HZ   LYS  14          1HZ       LYS  14  15.734  -4.584  -7.793
   92   2HZ   LYS  14          3HZ       LYS  14  15.772  -6.279  -7.721
   93   3HZ   LYS  14          2HZ       LYS  14  16.254  -5.478  -9.134
   94    H    LEU  15           H        LEU  15  10.529  -2.491  -4.160
   95    HA   LEU  15           HA       LEU  15   9.752  -4.672  -2.396
   96   1HB   LEU  15          2HB       LEU  15  10.431  -1.796  -1.786
   97   2HB   LEU  15          1HB       LEU  15  10.021  -3.004  -0.583
   98    HG   LEU  15           HG       LEU  15  12.437  -3.027  -2.389
   99   1HD1  LEU  15          1HD1      LEU  15  12.168  -2.676   0.582
  100   2HD1  LEU  15          3HD1      LEU  15  13.687  -2.803  -0.299
  101   3HD1  LEU  15          2HD1      LEU  15  12.616  -1.430  -0.574
  102   1HD2  LEU  15          1HD2      LEU  15  11.553  -5.025  -0.310
  103   2HD2  LEU  15          3HD2      LEU  15  11.637  -5.292  -2.049
  104   3HD2  LEU  15          2HD2      LEU  15  13.116  -5.026  -1.132
  105    H    CYS  16           H        CYS  16   7.683  -4.858  -3.552
  106    HA   CYS  16           HA       CYS  16   5.728  -3.187  -2.110
  107   1HB   CYS  16          2HB       CYS  16   5.434  -4.565  -4.785
  108   2HB   CYS  16          1HB       CYS  16   4.103  -3.820  -3.911
  109    H    ARG  17           H        ARG  17   7.298  -5.779  -1.663
  110    HA   ARG  17           HA       ARG  17   5.385  -7.886  -1.581
  111   1HB   ARG  17          2HB       ARG  17   8.029  -7.637  -0.134
  112   2HB   ARG  17          1HB       ARG  17   7.097  -9.111  -0.332
  113   1HG   ARG  17          2HG       ARG  17   8.411  -7.522  -2.513
  114   2HG   ARG  17          1HG       ARG  17   8.937  -9.084  -1.881
  115   1HD   ARG  17          2HD       ARG  17   6.766 -10.041  -2.630
  116   2HD   ARG  17          1HD       ARG  17   6.386  -8.491  -3.379
  117    HE   ARG  17           HE       ARG  17   8.822  -9.935  -4.163
  118   1HH1  ARG  17          1HH1      ARG  17   5.687  -8.600  -4.991
  119   2HH1  ARG  17          2HH1      ARG  17   5.897  -8.866  -6.698
  120   1HH2  ARG  17          1HH2      ARG  17   9.096 -10.290  -6.372
  121   2HH2  ARG  17          2HH2      ARG  17   7.843  -9.834  -7.488
  122    H    GLY  18           H        GLY  18   3.655  -7.573  -0.358
  123   1HA   GLY  18          1HA       GLY  18   4.053  -6.645   2.414
  124   2HA   GLY  18          2HA       GLY  18   2.961  -7.966   2.016
  125    H    PHE  19           H        PHE  19   3.091  -5.484  -0.283
  126    HA   PHE  19           HA       PHE  19   0.922  -3.957   0.876
  127   1HB   PHE  19          2HB       PHE  19   2.747  -2.850  -0.415
  128   2HB   PHE  19          1HB       PHE  19   2.198  -3.700  -1.855
  129    HD1  PHE  19          1HD       PHE  19   0.772  -1.549   0.834
  130    HD2  PHE  19          2HD       PHE  19   0.858  -2.527  -3.303
  131    HE1  PHE  19          1HE       PHE  19  -0.813   0.275   0.373
  132    HE2  PHE  19          2HE       PHE  19  -0.731  -0.707  -3.767
  133    HZ   PHE  19           HZ       PHE  19  -1.569   0.697  -1.921
  134    H    LEU  21           H        LEU  21  -2.500  -4.041   0.974
  135    HA   LEU  21           HA       LEU  21  -4.562  -5.901   1.898
  136   1HB   LEU  21          2HB       LEU  21  -2.871  -3.944   3.458
  137   2HB   LEU  21          1HB       LEU  21  -4.026  -5.068   4.137
  138    HG   LEU  21           HG       LEU  21  -1.491  -5.826   2.695
  139   1HD1  LEU  21          2HD1      LEU  21  -2.238  -5.944   5.611
  140   2HD1  LEU  21          1HD1      LEU  21  -0.761  -6.606   4.902
  141   3HD1  LEU  21          3HD1      LEU  21  -1.051  -4.864   4.874
  142   1HD2  LEU  21          1HD2      LEU  21  -3.274  -7.466   2.360
  143   2HD2  LEU  21          3HD2      LEU  21  -2.004  -8.104   3.403
  144   3HD2  LEU  21          2HD2      LEU  21  -3.526  -7.552   4.104
  145    H    CYS  23           H        CYS  23  -6.322  -4.053  -0.627
  146    HA   CYS  23           HA       CYS  23  -7.048  -1.703  -2.206
  147   1HB   CYS  23          2HB       CYS  23  -5.399  -2.715  -3.855
  148   2HB   CYS  23          1HB       CYS  23  -4.728  -2.163  -2.327
  149    H    GLY  24           H        GLY  24  -6.706  -5.173  -2.961
  150   1HA   GLY  24          1HA       GLY  24  -7.896  -6.278  -4.693
  151   2HA   GLY  24          2HA       GLY  24  -9.078  -4.971  -4.682
  152    H    CYS  25           H        CYS  25  -9.406  -4.924  -1.837
  153    HA   CYS  25           HA       CYS  25 -10.256  -7.577  -1.060
  154   1HB   CYS  25          2HB       CYS  25 -10.895  -6.228   1.051
  155   2HB   CYS  25          1HB       CYS  25  -9.191  -6.485   0.696
  156    H    HIS  26           H        HIS  26 -11.592  -5.279  -2.814
  157    HA   HIS  26           HA       HIS  26 -14.206  -5.100  -1.606
  158   1HB   HIS  26          2HB       HIS  26 -13.252  -4.187  -4.325
  159   2HB   HIS  26          1HB       HIS  26 -14.827  -3.827  -3.636
  160    HD1  HIS  26          1HD       HIS  26 -14.979  -1.865  -2.043
  161    HD2  HIS  26          2HD       HIS  26 -11.066  -2.829  -3.078
  162    HE1  HIS  26          1HE       HIS  26 -13.558   0.012  -1.164
  163    HE2  HIS  26          2HE       HIS  26 -11.194  -0.571  -1.823
  164    H    PHE  27           H        PHE  27 -12.898  -6.436  -4.611
  165    HA   PHE  27           HA       PHE  27 -14.934  -8.531  -4.534
  166   1HB   PHE  27          2HB       PHE  27 -15.924  -6.842  -5.961
  167   2HB   PHE  27          1HB       PHE  27 -14.436  -6.687  -6.892
  168    HD1  PHE  27          1HD       PHE  27 -17.012  -9.208  -5.956
  169    HD2  PHE  27          2HD       PHE  27 -14.220  -7.855  -8.861
  170    HE1  PHE  27          1HE       PHE  27 -17.836 -10.909  -7.525
  171    HE2  PHE  27          2HE       PHE  27 -15.038  -9.551 -10.442
  172    HZ   PHE  27           HZ       PHE  27 -16.812 -11.106  -9.771
  173    H    GLY  29           H        GLY  29 -14.265 -12.175  -6.425
  174   1HA   GLY  29          1HA       GLY  29 -13.031 -13.129  -8.921
  175   2HA   GLY  29          2HA       GLY  29 -14.571 -12.279  -8.990
  176    H    LYS  30           H        LYS  30 -12.938 -15.203  -8.188
  177    HA   LYS  30           HA       LYS  30 -13.631 -17.327  -7.809
  178   1HB   LYS  30          2HB       LYS  30 -14.259 -16.225  -5.621
  179   2HB   LYS  30          1HB       LYS  30 -15.893 -16.067  -6.251
  180   1HG   LYS  30          2HG       LYS  30 -16.038 -18.508  -6.460
  181   2HG   LYS  30          1HG       LYS  30 -14.411 -18.651  -5.800
  182   1HD   LYS  30          2HD       LYS  30 -16.767 -17.417  -4.373
  183   2HD   LYS  30          1HD       LYS  30 -16.148 -19.046  -4.104
  184   1HE   LYS  30          2HE       LYS  30 -14.586 -16.499  -3.693
  185   2HE   LYS  30          1HE       LYS  30 -15.361 -17.425  -2.416
  186   1HZ   LYS  30          2HZ       LYS  30 -13.948 -19.334  -3.102
  187   2HZ   LYS  30          1HZ       LYS  30 -13.112 -18.289  -4.144
  188   3HZ   LYS  30          3HZ       LYS  30 -13.080 -18.021  -2.466
  189    H    LYS  31           H        LYS  31 -14.175 -16.983 -10.201
  190    HA   LYS  31           HA       LYS  31 -17.055 -17.399 -10.644
  191   1HB   LYS  31          2HB       LYS  31 -14.909 -16.440 -12.542
  192   2HB   LYS  31          1HB       LYS  31 -16.569 -16.780 -13.010
  193   1HG   LYS  31          2HG       LYS  31 -17.379 -15.029 -11.563
  194   2HG   LYS  31          1HG       LYS  31 -15.747 -14.728 -10.966
  195   1HD   LYS  31          2HD       LYS  31 -16.320 -13.061 -12.606
  196   2HD   LYS  31          1HD       LYS  31 -15.066 -14.112 -13.261
  197   1HE   LYS  31          2HE       LYS  31 -16.733 -13.676 -14.956
  198   2HE   LYS  31          1HE       LYS  31 -16.800 -15.373 -14.478
  199   1HZ   LYS  31          2HZ       LYS  31 -18.588 -13.362 -13.252
  200   2HZ   LYS  31          1HZ       LYS  31 -18.984 -14.106 -14.724
  201   3HZ   LYS  31          3HZ       LYS  31 -18.783 -15.046 -13.328

  No H/Q in entry =         201
  Start of MODEL    4
    1    H    ALA   2           H        ALA   2  14.287  -0.145 -20.366
    2    HA   ALA   2           HA       ALA   2  15.759   1.977 -19.059
    3   1HB   ALA   2          2HB       ALA   2  17.527   0.937 -20.383
    4   2HB   ALA   2          1HB       ALA   2  16.527   1.046 -21.831
    5   3HB   ALA   2          3HB       ALA   2  17.110   2.516 -21.048
    6    H    ILE   4           H        ILE   4  12.351   1.900 -22.002
    7    HA   ILE   4           HA       ILE   4   9.515   1.507 -21.916
    8    HB   ILE   4           HB       ILE   4  11.661  -0.359 -22.971
    9   1HG1  ILE   4          2HG1      ILE   4  10.027   1.720 -24.446
   10   2HG1  ILE   4          1HG1      ILE   4  11.724   1.894 -24.015
   11   1HG2  ILE   4          3HG2      ILE   4   9.500  -1.449 -22.590
   12   2HG2  ILE   4          2HG2      ILE   4   8.704  -0.220 -23.573
   13   3HG2  ILE   4          1HG2      ILE   4   9.863  -1.326 -24.309
   14   1HD1  ILE   4          2HD1      ILE   4  12.252  -0.046 -25.434
   15   2HD1  ILE   4          1HD1      ILE   4  10.554  -0.134 -25.902
   16   3HD1  ILE   4          3HD1      ILE   4  11.514   1.282 -26.332
   17    H    VAL   5           H        VAL   5   8.679   0.841 -20.015
   18    HA   VAL   5           HA       VAL   5  10.236  -0.728 -18.192
   19    HB   VAL   5           HB       VAL   5   8.307  -0.615 -16.687
   20   1HG1  VAL   5          1HG1      VAL   5   9.003   2.024 -17.964
   21   2HG1  VAL   5          3HG1      VAL   5   8.283   1.809 -16.368
   22   3HG1  VAL   5          2HG1      VAL   5   9.907   1.205 -16.688
   23   1HG2  VAL   5          3HG2      VAL   5   6.930   0.826 -18.950
   24   2HG2  VAL   5          2HG2      VAL   5   6.497  -0.751 -18.281
   25   3HG2  VAL   5          1HG2      VAL   5   6.327   0.700 -17.294
   26    H    LYS   6           H        LYS   6  10.135  -2.812 -17.757
   27    HA   LYS   6           HA       LYS   6   8.450  -4.507 -19.424
   28   1HB   LYS   6          2HB       LYS   6  10.662  -5.186 -17.470
   29   2HB   LYS   6          1HB       LYS   6   9.812  -6.355 -18.473
   30   1HG   LYS   6          2HG       LYS   6  10.679  -5.331 -20.484
   31   2HG   LYS   6          1HG       LYS   6  11.432  -4.044 -19.534
   32   1HD   LYS   6          2HD       LYS   6  12.849  -5.710 -18.428
   33   2HD   LYS   6          1HD       LYS   6  12.105  -6.982 -19.393
   34   1HE   LYS   6          2HE       LYS   6  13.635  -4.627 -20.500
   35   2HE   LYS   6          1HE       LYS   6  14.297  -6.243 -20.266
   36   1HZ   LYS   6          2HZ       LYS   6  12.575  -7.077 -21.797
   37   2HZ   LYS   6          1HZ       LYS   6  12.077  -5.486 -22.094
   38   3HZ   LYS   6          3HZ       LYS   6  13.639  -5.980 -22.538
   39    H    ILE   9           H        ILE   9   8.896  -4.016 -13.284
   40    HA   ILE   9           HA       ILE   9  10.738  -6.060 -12.313
   41    HB   ILE   9           HB       ILE   9  10.931  -5.411 -14.674
   42   1HG1  ILE   9          2HG1      ILE   9  12.922  -5.947 -13.079
   43   2HG1  ILE   9          1HG1      ILE   9  13.226  -5.464 -14.738
   44   1HG2  ILE   9          2HG2      ILE   9  11.539  -2.656 -13.631
   45   2HG2  ILE   9          1HG2      ILE   9  11.783  -3.180 -15.300
   46   3HG2  ILE   9          3HG2      ILE   9  10.157  -3.142 -14.616
   47   1HD1  ILE   9          1HD1      ILE   9  13.700  -3.187 -13.962
   48   2HD1  ILE   9          3HD1      ILE   9  13.423  -3.707 -12.297
   49   3HD1  ILE   9          2HD1      ILE   9  14.765  -4.382 -13.221
   50    H    LYS  10           H        LYS  10  11.929  -5.743 -10.575
   51    HA   LYS  10           HA       LYS  10  12.799  -4.833  -8.693
   52   1HB   LYS  10          2HB       LYS  10  13.609  -3.198 -10.810
   53   2HB   LYS  10          1HB       LYS  10  13.061  -2.081  -9.566
   54   1HG   LYS  10          2HG       LYS  10  15.465  -2.571  -9.418
   55   2HG   LYS  10          1HG       LYS  10  14.584  -3.051  -7.966
   56   1HD   LYS  10          2HD       LYS  10  14.608  -5.356  -8.638
   57   2HD   LYS  10          1HD       LYS  10  15.291  -4.936 -10.210
   58   1HE   LYS  10          2HE       LYS  10  16.981  -5.855  -8.700
   59   2HE   LYS  10          1HE       LYS  10  17.339  -4.192  -9.156
   60   1HZ   LYS  10          1HZ       LYS  10  16.026  -4.974  -6.603
   61   2HZ   LYS  10          3HZ       LYS  10  17.684  -4.678  -6.775
   62   3HZ   LYS  10          2HZ       LYS  10  16.572  -3.429  -7.035
   63    H    ALA  11           H        ALA  11   9.988  -4.883  -8.966
   64    HA   ALA  11           HA       ALA  11   8.923  -2.367  -8.051
   65   1HB   ALA  11          3HB       ALA  11   7.565  -5.051  -8.274
   66   2HB   ALA  11          1HB       ALA  11   7.624  -3.825  -9.543
   67   3HB   ALA  11          2HB       ALA  11   6.774  -3.492  -8.035
   68    H    LYS  13           H        LYS  13  10.314  -0.564  -4.411
   69    HA   LYS  13           HA       LYS  13  13.114  -0.690  -3.595
   70   1HB   LYS  13          2HB       LYS  13  13.308   1.586  -4.535
   71   2HB   LYS  13          1HB       LYS  13  12.792   0.394  -5.716
   72   1HG   LYS  13          2HG       LYS  13  10.765   2.083  -4.299
   73   2HG   LYS  13          1HG       LYS  13  11.675   2.729  -5.662
   74   1HD   LYS  13          2HD       LYS  13  10.083   0.170  -5.755
   75   2HD   LYS  13          1HD       LYS  13   9.455   1.737  -6.268
   76   1HE   LYS  13          2HE       LYS  13  11.893   0.380  -7.430
   77   2HE   LYS  13          1HE       LYS  13  10.286   0.357  -8.149
   78   1HZ   LYS  13          3HZ       LYS  13  10.400   2.808  -8.270
   79   2HZ   LYS  13          2HZ       LYS  13  11.998   2.744  -7.711
   80   3HZ   LYS  13          1HZ       LYS  13  11.600   2.043  -9.193
   81    H    LYS  14           H        LYS  14  10.171  -0.106  -2.184
   82    HA   LYS  14           HA       LYS  14  11.328   0.886   0.184
   83   1HB   LYS  14          2HB       LYS  14  10.274   3.112   0.277
   84   2HB   LYS  14          1HB       LYS  14  11.492   2.996  -0.974
   85   1HG   LYS  14          2HG       LYS  14  10.012   3.782  -2.417
   86   2HG   LYS  14          1HG       LYS  14   9.044   2.326  -2.181
   87   1HD   LYS  14          2HD       LYS  14   7.688   4.294  -1.781
   88   2HD   LYS  14          1HD       LYS  14   7.919   3.405  -0.278
   89   1HE   LYS  14          2HE       LYS  14   8.167   5.784   0.105
   90   2HE   LYS  14          1HE       LYS  14   9.710   4.965   0.346
   91   1HZ   LYS  14          3HZ       LYS  14   8.916   6.451  -2.093
   92   2HZ   LYS  14          2HZ       LYS  14   9.963   7.027  -0.896
   93   3HZ   LYS  14          1HZ       LYS  14  10.411   5.694  -1.835
   94    H    LEU  15           H        LEU  15  10.170  -0.014   1.713
   95    HA   LEU  15           HA       LEU  15   8.458  -0.394   3.145
   96   1HB   LEU  15          2HB       LEU  15   7.106   1.767   1.540
   97   2HB   LEU  15          1HB       LEU  15   6.534   1.161   3.077
   98    HG   LEU  15           HG       LEU  15   9.159   2.585   2.623
   99   1HD1  LEU  15          3HD1      LEU  15   7.246   4.063   2.370
  100   2HD1  LEU  15          2HD1      LEU  15   6.607   3.521   3.928
  101   3HD1  LEU  15          1HD1      LEU  15   8.125   4.417   3.853
  102   1HD2  LEU  15          2HD2      LEU  15   7.838   1.646   5.168
  103   2HD2  LEU  15          1HD2      LEU  15   9.300   0.977   4.437
  104   3HD2  LEU  15          3HD2      LEU  15   9.301   2.626   5.061
  105    H    CYS  16           H        CYS  16   8.516  -1.864   0.510
  106    HA   CYS  16           HA       CYS  16   5.664  -2.476   0.263
  107   1HB   CYS  16          2HB       CYS  16   6.520  -3.789  -1.774
  108   2HB   CYS  16          1HB       CYS  16   6.494  -2.031  -1.851
  109    H    ARG  17           H        ARG  17   6.965  -3.361   2.564
  110    HA   ARG  17           HA       ARG  17   7.353  -6.215   2.174
  111   1HB   ARG  17          2HB       ARG  17   7.914  -6.268   4.566
  112   2HB   ARG  17          1HB       ARG  17   8.876  -5.071   3.711
  113   1HG   ARG  17          2HG       ARG  17   7.397  -3.305   4.524
  114   2HG   ARG  17          1HG       ARG  17   6.444  -4.508   5.394
  115   1HD   ARG  17          2HD       ARG  17   8.407  -5.104   6.724
  116   2HD   ARG  17          1HD       ARG  17   9.371  -3.924   5.836
  117    HE   ARG  17           HE       ARG  17   7.015  -2.898   7.203
  118   1HH1  ARG  17          1HH1      ARG  17  10.474  -3.410   7.230
  119   2HH1  ARG  17          2HH1      ARG  17  10.768  -2.254   8.498
  120   1HH2  ARG  17          1HH2      ARG  17   7.386  -1.337   8.839
  121   2HH2  ARG  17          2HH2      ARG  17   9.010  -1.050   9.400
  122    H    GLY  18           H        GLY  18   4.883  -4.210   2.422
  123   1HA   GLY  18          1HA       GLY  18   3.084  -4.953   4.298
  124   2HA   GLY  18          2HA       GLY  18   3.004  -6.270   3.136
  125    H    PHE  19           H        PHE  19   2.315  -5.824   1.002
  126    HA   PHE  19           HA       PHE  19   0.768  -3.337   0.781
  127   1HB   PHE  19          2HB       PHE  19   1.313  -3.242  -1.605
  128   2HB   PHE  19          1HB       PHE  19   2.755  -3.121  -0.609
  129    HD1  PHE  19          1HD       PHE  19   0.965  -5.091  -3.085
  130    HD2  PHE  19          2HD       PHE  19   4.344  -4.986  -0.498
  131    HE1  PHE  19          1HE       PHE  19   1.985  -6.938  -4.350
  132    HE2  PHE  19          2HE       PHE  19   5.369  -6.833  -1.764
  133    HZ   PHE  19           HZ       PHE  19   4.191  -7.811  -3.689
  134    H    LEU  21           H        LEU  21  -2.585  -3.860   0.828
  135    HA   LEU  21           HA       LEU  21  -4.480  -5.849   1.906
  136   1HB   LEU  21          2HB       LEU  21  -2.423  -5.536   3.235
  137   2HB   LEU  21          1HB       LEU  21  -2.781  -3.826   3.371
  138    HG   LEU  21           HG       LEU  21  -4.841  -4.385   4.639
  139   1HD1  LEU  21          1HD1      LEU  21  -3.768  -7.196   4.497
  140   2HD1  LEU  21          3HD1      LEU  21  -5.117  -6.656   5.494
  141   3HD1  LEU  21          2HD1      LEU  21  -5.243  -6.602   3.739
  142   1HD2  LEU  21          1HD2      LEU  21  -2.278  -5.516   5.750
  143   2HD2  LEU  21          3HD2      LEU  21  -2.793  -3.831   5.819
  144   3HD2  LEU  21          2HD2      LEU  21  -3.696  -5.064   6.695
  145    H    CYS  23           H        CYS  23  -6.495  -4.198  -0.589
  146    HA   CYS  23           HA       CYS  23  -7.068  -1.742  -2.112
  147   1HB   CYS  23          2HB       CYS  23  -5.336  -2.675  -3.699
  148   2HB   CYS  23          1HB       CYS  23  -4.732  -2.221  -2.111
  149    H    GLY  24           H        GLY  24  -6.790  -5.243  -2.722
  150   1HA   GLY  24          1HA       GLY  24  -7.811  -6.367  -4.557
  151   2HA   GLY  24          2HA       GLY  24  -8.945  -5.029  -4.716
  152    H    CYS  25           H        CYS  25  -9.204  -5.058  -1.719
  153    HA   CYS  25           HA       CYS  25 -10.443  -7.547  -1.046
  154   1HB   CYS  25          2HB       CYS  25 -11.238  -6.064   0.952
  155   2HB   CYS  25          1HB       CYS  25  -9.542  -6.509   0.797
  156    H    HIS  26           H        HIS  26 -12.771  -7.186   0.107
  157    HA   HIS  26           HA       HIS  26 -14.458  -5.949  -1.970
  158   1HB   HIS  26          2HB       HIS  26 -14.238  -8.529  -1.968
  159   2HB   HIS  26          1HB       HIS  26 -15.233  -8.466  -0.513
  160    HD1  HIS  26          1HD       HIS  26 -15.372  -7.491  -4.182
  161    HD2  HIS  26          2HD       HIS  26 -17.927  -8.291  -0.994
  162    HE1  HIS  26          1HE       HIS  26 -17.692  -7.524  -5.164
  163    HE2  HIS  26          2HE       HIS  26 -19.220  -8.077  -3.225
  164    H    PHE  27           H        PHE  27 -13.500  -5.245   0.843
  165    HA   PHE  27           HA       PHE  27 -14.296  -3.956   2.529
  166   1HB   PHE  27          2HB       PHE  27 -15.541  -2.844   0.685
  167   2HB   PHE  27          1HB       PHE  27 -16.880  -3.952   0.942
  168    HD1  PHE  27          1HD       PHE  27 -18.617  -3.320   2.326
  169    HD2  PHE  27          2HD       PHE  27 -14.822  -1.433   2.765
  170    HE1  PHE  27          1HE       PHE  27 -19.576  -1.772   3.978
  171    HE2  PHE  27          2HE       PHE  27 -15.786   0.113   4.422
  172    HZ   PHE  27           HZ       PHE  27 -18.174  -0.036   5.000
  173    H    GLY  29           H        GLY  29 -17.435  -7.196   1.456
  174   1HA   GLY  29          1HA       GLY  29 -19.660  -7.058   0.825
  175   2HA   GLY  29          2HA       GLY  29 -20.116  -7.395   2.490
  176    H    LYS  30           H        LYS  30 -21.739  -8.802   1.692
  177    HA   LYS  30           HA       LYS  30 -20.717 -11.503   1.292
  178   1HB   LYS  30          2HB       LYS  30 -23.460 -10.415   1.943
  179   2HB   LYS  30          1HB       LYS  30 -23.170 -12.114   1.600
  180   1HG   LYS  30          2HG       LYS  30 -23.251 -11.825   3.961
  181   2HG   LYS  30          1HG       LYS  30 -21.583 -12.176   3.514
  182   1HD   LYS  30          2HD       LYS  30 -21.003  -9.830   3.707
  183   2HD   LYS  30          1HD       LYS  30 -22.683  -9.414   4.047
  184   1HE   LYS  30          2HE       LYS  30 -21.055 -11.280   5.760
  185   2HE   LYS  30          1HE       LYS  30 -21.158  -9.544   6.046
  186   1HZ   LYS  30          3HZ       LYS  30 -23.503 -11.364   5.958
  187   2HZ   LYS  30          2HZ       LYS  30 -22.732 -10.873   7.388
  188   3HZ   LYS  30          1HZ       LYS  30 -23.501  -9.728   6.399
  189    H    LYS  31           H        LYS  31 -21.912  -8.956  -0.567
  190    HA   LYS  31           HA       LYS  31 -22.764 -10.761  -2.724
  191   1HB   LYS  31          2HB       LYS  31 -23.320  -7.819  -2.303
  192   2HB   LYS  31          1HB       LYS  31 -23.782  -8.720  -3.737
  193   1HG   LYS  31          2HG       LYS  31 -25.209 -10.159  -2.399
  194   2HG   LYS  31          1HG       LYS  31 -24.730  -9.291  -0.938
  195   1HD   LYS  31          2HD       LYS  31 -25.715  -7.250  -1.792
  196   2HD   LYS  31          1HD       LYS  31 -26.114  -8.046  -3.316
  197   1HE   LYS  31          2HE       LYS  31 -27.196  -8.822  -0.607
  198   2HE   LYS  31          1HE       LYS  31 -28.052  -7.844  -1.798
  199   1HZ   LYS  31          2HZ       LYS  31 -27.911  -9.731  -3.343
  200   2HZ   LYS  31          1HZ       LYS  31 -27.182 -10.666  -2.129
  201   3HZ   LYS  31          3HZ       LYS  31 -28.774 -10.116  -1.938

  No H/Q in entry =         201
  Start of MODEL    5
    1    H    ALA   2           H        ALA   2  20.323 -15.016  -9.670
    2    HA   ALA   2           HA       ALA   2  21.159 -12.918  -9.481
    3   1HB   ALA   2          1HB       ALA   2  18.285 -12.044  -9.204
    4   2HB   ALA   2          2HB       ALA   2  19.173 -12.204 -10.713
    5   3HB   ALA   2          3HB       ALA   2  19.665 -10.996  -9.531
    6    H    ILE   4           H        ILE   4  19.960 -11.205  -5.096
    7    HA   ILE   4           HA       ILE   4  18.050 -11.767  -2.933
    8    HB   ILE   4           HB       ILE   4  18.081  -9.336  -2.519
    9   1HG1  ILE   4          2HG1      ILE   4  20.186  -9.267  -4.700
   10   2HG1  ILE   4          1HG1      ILE   4  18.556  -8.618  -4.838
   11   1HG2  ILE   4          2HG2      ILE   4  19.642 -10.776  -1.329
   12   2HG2  ILE   4          1HG2      ILE   4  20.823 -10.589  -2.625
   13   3HG2  ILE   4          3HG2      ILE   4  20.366  -9.199  -1.641
   14   1HD1  ILE   4          3HD1      ILE   4  20.657  -7.663  -2.911
   15   2HD1  ILE   4          2HD1      ILE   4  20.203  -6.873  -4.424
   16   3HD1  ILE   4          1HD1      ILE   4  19.037  -6.993  -3.104
   17    H    VAL   5           H        VAL   5  16.179  -9.953  -3.043
   18    HA   VAL   5           HA       VAL   5  14.703 -10.559  -5.425
   19    HB   VAL   5           HB       VAL   5  13.999  -8.635  -3.197
   20   1HG1  VAL   5          1HG1      VAL   5  12.744  -8.209  -5.241
   21   2HG1  VAL   5          3HG1      VAL   5  12.263  -9.905  -5.320
   22   3HG1  VAL   5          2HG1      VAL   5  11.698  -8.884  -3.995
   23   1HG2  VAL   5          2HG2      VAL   5  14.339 -10.925  -2.383
   24   2HG2  VAL   5          1HG2      VAL   5  12.644 -10.445  -2.290
   25   3HG2  VAL   5          3HG2      VAL   5  13.188 -11.519  -3.578
   26    H    LYS   6           H        LYS   6  15.530  -9.625  -7.224
   27    HA   LYS   6           HA       LYS   6  16.304  -6.821  -7.194
   28   1HB   LYS   6          2HB       LYS   6  16.528  -9.038  -9.209
   29   2HB   LYS   6          1HB       LYS   6  16.843  -7.364  -9.655
   30   1HG   LYS   6          2HG       LYS   6  18.270  -8.865  -7.471
   31   2HG   LYS   6          1HG       LYS   6  18.885  -8.629  -9.106
   32   1HD   LYS   6          2HD       LYS   6  18.177  -6.404  -7.194
   33   2HD   LYS   6          1HD       LYS   6  19.811  -7.012  -7.471
   34   1HE   LYS   6          2HE       LYS   6  19.769  -6.299  -9.752
   35   2HE   LYS   6          1HE       LYS   6  18.049  -5.918  -9.654
   36   1HZ   LYS   6          3HZ       LYS   6  20.189  -4.534  -8.127
   37   2HZ   LYS   6          2HZ       LYS   6  19.465  -3.942  -9.537
   38   3HZ   LYS   6          1HZ       LYS   6  18.538  -4.136  -8.136
   39    H    ILE   9           H        ILE   9   9.595  -9.705  -8.975
   40    HA   ILE   9           HA       ILE   9   7.507 -10.791 -10.615
   41    HB   ILE   9           HB       ILE   9   7.361  -9.914  -7.727
   42   1HG1  ILE   9          2HG1      ILE   9   7.955 -12.643  -8.902
   43   2HG1  ILE   9          1HG1      ILE   9   9.117 -11.607  -8.083
   44   1HG2  ILE   9          3HG2      ILE   9   5.597 -11.748  -9.352
   45   2HG2  ILE   9          2HG2      ILE   9   5.457 -11.466  -7.616
   46   3HG2  ILE   9          1HG2      ILE   9   5.173 -10.145  -8.746
   47   1HD1  ILE   9          1HD1      ILE   9   7.831 -11.812  -6.015
   48   2HD1  ILE   9          3HD1      ILE   9   6.673 -12.852  -6.844
   49   3HD1  ILE   9          2HD1      ILE   9   8.339 -13.385  -6.628
   50    H    LYS  10           H        LYS  10   7.094  -9.169 -12.099
   51    HA   LYS  10           HA       LYS  10   5.883  -7.481 -12.993
   52   1HB   LYS  10          2HB       LYS  10   4.372  -7.456 -10.380
   53   2HB   LYS  10          1HB       LYS  10   3.806  -6.860 -11.929
   54   1HG   LYS  10          2HG       LYS  10   4.422  -9.740 -11.297
   55   2HG   LYS  10          1HG       LYS  10   2.813  -9.022 -11.318
   56   1HD   LYS  10          2HD       LYS  10   2.983  -8.563 -13.671
   57   2HD   LYS  10          1HD       LYS  10   4.676  -9.064 -13.690
   58   1HE   LYS  10          2HE       LYS  10   3.182 -10.790 -14.604
   59   2HE   LYS  10          1HE       LYS  10   4.037 -11.343 -13.163
   60   1HZ   LYS  10          2HZ       LYS  10   1.233 -10.352 -13.223
   61   2HZ   LYS  10          1HZ       LYS  10   1.698 -11.981 -13.123
   62   3HZ   LYS  10          3HZ       LYS  10   2.055 -10.913 -11.849
   63    H    ALA  11           H        ALA  11   8.072  -6.426 -12.547
   64    HA   ALA  11           HA       ALA  11   9.271  -4.545 -12.086
   65   1HB   ALA  11          2HB       ALA  11   6.590  -3.351 -11.389
   66   2HB   ALA  11          3HB       ALA  11   7.319  -3.373 -13.000
   67   3HB   ALA  11          1HB       ALA  11   8.076  -2.455 -11.693
   68    H    LYS  13           H        LYS  13   8.298  -0.938  -8.036
   69    HA   LYS  13           HA       LYS  13  10.862   0.271  -7.222
   70   1HB   LYS  13          2HB       LYS  13   9.958   0.932  -9.470
   71   2HB   LYS  13          1HB       LYS  13   8.561   1.616  -8.649
   72   1HG   LYS  13          2HG       LYS  13   9.972   3.218  -7.514
   73   2HG   LYS  13          1HG       LYS  13  11.412   2.493  -8.240
   74   1HD   LYS  13          2HD       LYS  13  10.491   3.047 -10.477
   75   2HD   LYS  13          1HD       LYS  13   9.166   3.899  -9.683
   76   1HE   LYS  13          2HE       LYS  13  10.777   5.405  -8.621
   77   2HE   LYS  13          1HE       LYS  13  12.103   4.544  -9.412
   78   1HZ   LYS  13          2HZ       LYS  13  11.110   5.168 -11.557
   79   2HZ   LYS  13          1HZ       LYS  13   9.953   6.098 -10.746
   80   3HZ   LYS  13          3HZ       LYS  13  11.598   6.512 -10.645
   81    H    LYS  14           H        LYS  14  10.810   1.917  -5.635
   82    HA   LYS  14           HA       LYS  14  10.144   3.007  -3.757
   83   1HB   LYS  14          2HB       LYS  14   7.351   2.360  -4.721
   84   2HB   LYS  14          1HB       LYS  14   7.722   3.407  -3.362
   85   1HG   LYS  14          2HG       LYS  14   8.870   4.957  -4.839
   86   2HG   LYS  14          1HG       LYS  14   8.563   3.897  -6.213
   87   1HD   LYS  14          2HD       LYS  14   6.157   4.193  -5.913
   88   2HD   LYS  14          1HD       LYS  14   6.453   5.217  -4.512
   89   1HE   LYS  14          2HE       LYS  14   7.632   6.824  -5.936
   90   2HE   LYS  14          1HE       LYS  14   7.328   5.803  -7.339
   91   1HZ   LYS  14          3HZ       LYS  14   5.230   7.071  -5.659
   92   2HZ   LYS  14          2HZ       LYS  14   5.747   7.632  -7.170
   93   3HZ   LYS  14          1HZ       LYS  14   4.964   6.135  -7.047
   94    H    LEU  15           H        LEU  15  10.657   0.121  -3.886
   95    HA   LEU  15           HA       LEU  15  10.690  -1.690  -2.540
   96   1HB   LEU  15          2HB       LEU  15   9.771   0.324  -0.500
   97   2HB   LEU  15          1HB       LEU  15  10.185  -1.332  -0.097
   98    HG   LEU  15           HG       LEU  15  12.070   0.710  -1.282
   99   1HD1  LEU  15          2HD1      LEU  15  11.898  -0.461   1.482
  100   2HD1  LEU  15          1HD1      LEU  15  13.165   0.616   0.893
  101   3HD1  LEU  15          3HD1      LEU  15  11.505   1.198   1.031
  102   1HD2  LEU  15          3HD2      LEU  15  12.569  -1.582  -2.000
  103   2HD2  LEU  15          2HD2      LEU  15  13.797  -0.956  -0.899
  104   3HD2  LEU  15          1HD2      LEU  15  12.586  -2.096  -0.311
  105    H    CYS  16           H        CYS  16   8.972  -2.492  -3.898
  106    HA   CYS  16           HA       CYS  16   6.295  -2.515  -2.816
  107   1HB   CYS  16          2HB       CYS  16   5.913  -4.095  -4.768
  108   2HB   CYS  16          1HB       CYS  16   6.424  -2.462  -5.177
  109    H    ARG  17           H        ARG  17   5.987  -3.719  -1.052
  110    HA   ARG  17           HA       ARG  17   7.230  -6.389  -0.972
  111   1HB   ARG  17          2HB       ARG  17   6.549  -4.576   1.345
  112   2HB   ARG  17          1HB       ARG  17   7.234  -6.190   1.479
  113   1HG   ARG  17          2HG       ARG  17   9.235  -5.451   0.316
  114   2HG   ARG  17          1HG       ARG  17   8.550  -3.834   0.147
  115   1HD   ARG  17          2HD       ARG  17   9.180  -5.238   2.740
  116   2HD   ARG  17          1HD       ARG  17  10.125  -3.941   2.007
  117    HE   ARG  17           HE       ARG  17   7.595  -2.907   2.265
  118   1HH1  ARG  17          1HH1      ARG  17   9.978  -4.297   4.432
  119   2HH1  ARG  17          2HH1      ARG  17   9.453  -3.375   5.811
  120   1HH2  ARG  17          1HH2      ARG  17   6.896  -1.699   4.094
  121   2HH2  ARG  17          2HH2      ARG  17   7.688  -1.914   5.622
  122    H    GLY  18           H        GLY  18   4.604  -5.432  -2.011
  123   1HA   GLY  18          1HA       GLY  18   2.990  -7.503  -0.805
  124   2HA   GLY  18          2HA       GLY  18   2.553  -6.494  -2.184
  125    H    PHE  19           H        PHE  19   2.218  -4.109  -1.568
  126    HA   PHE  19           HA       PHE  19   1.117  -3.838   1.109
  127   1HB   PHE  19          2HB       PHE  19   0.815  -1.395   0.377
  128   2HB   PHE  19          1HB       PHE  19   2.454  -1.976   0.626
  129    HD1  PHE  19          1HD       PHE  19  -0.085  -1.397  -2.026
  130    HD2  PHE  19          2HD       PHE  19   4.043  -1.719  -1.034
  131    HE1  PHE  19          1HE       PHE  19   0.513  -0.629  -4.286
  132    HE2  PHE  19          2HE       PHE  19   4.646  -0.954  -3.300
  133    HZ   PHE  19           HZ       PHE  19   2.880  -0.404  -4.921
  134    H    LEU  21           H        LEU  21  -2.382  -3.678   0.841
  135    HA   LEU  21           HA       LEU  21  -4.124  -5.613   2.169
  136   1HB   LEU  21          2HB       LEU  21  -2.152  -4.761   3.385
  137   2HB   LEU  21          1HB       LEU  21  -2.794  -3.133   3.267
  138    HG   LEU  21           HG       LEU  21  -4.746  -3.835   4.624
  139   1HD1  LEU  21          1HD1      LEU  21  -3.206  -6.411   4.901
  140   2HD1  LEU  21          3HD1      LEU  21  -4.637  -5.961   5.829
  141   3HD1  LEU  21          2HD1      LEU  21  -4.757  -6.204   4.092
  142   1HD2  LEU  21          1HD2      LEU  21  -2.040  -4.317   5.850
  143   2HD2  LEU  21          3HD2      LEU  21  -2.853  -2.762   5.688
  144   3HD2  LEU  21          2HD2      LEU  21  -3.525  -4.000   6.748
  145    H    CYS  23           H        CYS  23  -6.067  -4.061  -0.617
  146    HA   CYS  23           HA       CYS  23  -7.050  -1.707  -2.031
  147   1HB   CYS  23          2HB       CYS  23  -5.245  -2.266  -3.663
  148   2HB   CYS  23          1HB       CYS  23  -4.661  -2.005  -2.021
  149    H    GLY  24           H        GLY  24  -6.955  -5.206  -2.339
  150   1HA   GLY  24          1HA       GLY  24  -7.760  -6.252  -4.450
  151   2HA   GLY  24          2HA       GLY  24  -8.997  -4.999  -4.472
  152    H    CYS  25           H        CYS  25 -10.280  -4.894  -2.366
  153    HA   CYS  25           HA       CYS  25 -10.982  -7.609  -1.522
  154   1HB   CYS  25          2HB       CYS  25 -11.177  -6.607   0.827
  155   2HB   CYS  25          1HB       CYS  25  -9.563  -6.947   0.213
  156    H    HIS  26           H        HIS  26 -13.111  -7.904  -0.955
  157    HA   HIS  26           HA       HIS  26 -14.908  -5.610  -1.365
  158   1HB   HIS  26          2HB       HIS  26 -15.328  -8.578  -1.663
  159   2HB   HIS  26          1HB       HIS  26 -16.686  -7.472  -1.505
  160    HD1  HIS  26          1HD       HIS  26 -14.464  -8.944  -3.968
  161    HD2  HIS  26          2HD       HIS  26 -16.706  -5.454  -3.648
  162    HE1  HIS  26          1HE       HIS  26 -14.722  -8.082  -6.314
  163    HE2  HIS  26          2HE       HIS  26 -16.195  -6.045  -6.112
  164    H    PHE  27           H        PHE  27 -15.201  -4.654   0.530
  165    HA   PHE  27           HA       PHE  27 -16.026  -6.338   2.788
  166   1HB   PHE  27          2HB       PHE  27 -14.761  -4.897   4.328
  167   2HB   PHE  27          1HB       PHE  27 -13.702  -5.685   3.167
  168    HD1  PHE  27          1HD       PHE  27 -14.915  -2.534   4.450
  169    HD2  PHE  27          2HD       PHE  27 -12.758  -4.376   1.279
  170    HE1  PHE  27          1HE       PHE  27 -13.963  -0.354   3.829
  171    HE2  PHE  27          2HE       PHE  27 -11.804  -2.198   0.657
  172    HZ   PHE  27           HZ       PHE  27 -12.421  -0.173   1.937
  173    H    GLY  29           H        GLY  29 -19.589  -1.533   3.564
  174   1HA   GLY  29          1HA       GLY  29 -19.509   0.283   4.973
  175   2HA   GLY  29          2HA       GLY  29 -18.265  -0.562   5.890
  176    H    LYS  30           H        LYS  30 -21.401  -1.905   5.216
  177    HA   LYS  30           HA       LYS  30 -22.166  -1.584   8.028
  178   1HB   LYS  30          2HB       LYS  30 -23.883  -0.814   6.523
  179   2HB   LYS  30          1HB       LYS  30 -23.791  -2.296   5.573
  180   1HG   LYS  30          2HG       LYS  30 -24.513  -3.523   7.656
  181   2HG   LYS  30          1HG       LYS  30 -24.847  -1.946   8.368
  182   1HD   LYS  30          2HD       LYS  30 -26.478  -1.468   6.662
  183   2HD   LYS  30          1HD       LYS  30 -26.064  -2.955   5.803
  184   1HE   LYS  30          2HE       LYS  30 -27.280  -2.758   8.560
  185   2HE   LYS  30          1HE       LYS  30 -28.111  -3.249   7.077
  186   1HZ   LYS  30          2HZ       LYS  30 -25.798  -4.701   8.262
  187   2HZ   LYS  30          1HZ       LYS  30 -27.420  -5.131   8.481
  188   3HZ   LYS  30          3HZ       LYS  30 -26.736  -5.185   6.939
  189    H    LYS  31           H        LYS  31 -22.163  -3.290   9.342
  190    HA   LYS  31           HA       LYS  31 -21.385  -5.882   8.427
  191   1HB   LYS  31          2HB       LYS  31 -20.808  -4.961  10.677
  192   2HB   LYS  31          1HB       LYS  31 -22.506  -5.083  11.124
  193   1HG   LYS  31          2HG       LYS  31 -22.429  -7.491  10.814
  194   2HG   LYS  31          1HG       LYS  31 -20.737  -7.387  10.326
  195   1HD   LYS  31          2HD       LYS  31 -21.868  -6.643  13.028
  196   2HD   LYS  31          1HD       LYS  31 -20.929  -8.090  12.652
  197   1HE   LYS  31          2HE       LYS  31 -19.050  -6.600  11.964
  198   2HE   LYS  31          1HE       LYS  31 -19.992  -5.227  12.539
  199   1HZ   LYS  31          1HZ       LYS  31 -19.994  -6.215  14.756
  200   2HZ   LYS  31          3HZ       LYS  31 -19.079  -7.524  14.186
  201   3HZ   LYS  31          2HZ       LYS  31 -18.411  -5.967  14.204

  No H/Q in entry =         201
  Start of MODEL    6
    1    H    ALA   2           H        ALA   2   7.958   5.070 -16.918
    2    HA   ALA   2           HA       ALA   2  10.112   3.501 -15.830
    3   1HB   ALA   2          1HB       ALA   2  10.063   5.315 -18.237
    4   2HB   ALA   2          3HB       ALA   2  11.332   4.160 -17.835
    5   3HB   ALA   2          2HB       ALA   2   9.714   3.585 -18.243
    6    H    ILE   4           H        ILE   4   8.997   9.426 -14.105
    7    HA   ILE   4           HA       ILE   4   9.732   8.954 -11.303
    8    HB   ILE   4           HB       ILE   4   9.986  11.267 -11.904
    9   1HG1  ILE   4          2HG1      ILE   4   8.395  12.337 -10.314
   10   2HG1  ILE   4          1HG1      ILE   4   7.473  10.840 -10.265
   11   1HG2  ILE   4          1HG2      ILE   4   8.548  11.348 -13.850
   12   2HG2  ILE   4          3HG2      ILE   4   7.120  11.209 -12.828
   13   3HG2  ILE   4          2HG2      ILE   4   8.140  12.644 -12.721
   14   1HD1  ILE   4          3HD1      ILE   4  10.331  11.162  -9.390
   15   2HD1  ILE   4          2HD1      ILE   4   8.926  11.081  -8.331
   16   3HD1  ILE   4          1HD1      ILE   4   9.377   9.682  -9.306
   17    H    VAL   5           H        VAL   5   8.469   7.616 -10.255
   18    HA   VAL   5           HA       VAL   5   5.581   7.629 -10.813
   19    HB   VAL   5           HB       VAL   5   7.194   5.513  -9.371
   20   1HG1  VAL   5          3HG1      VAL   5   4.294   5.571 -10.208
   21   2HG1  VAL   5          2HG1      VAL   5   5.128   4.182  -9.515
   22   3HG1  VAL   5          1HG1      VAL   5   4.904   5.643  -8.556
   23   1HG2  VAL   5          2HG2      VAL   5   7.696   5.561 -11.754
   24   2HG2  VAL   5          1HG2      VAL   5   6.766   4.123 -11.339
   25   3HG2  VAL   5          3HG2      VAL   5   5.973   5.487 -12.126
   26    H    LYS   6           H        LYS   6   4.579   8.977  -9.517
   27    HA   LYS   6           HA       LYS   6   5.738  10.187  -7.292
   28   1HB   LYS   6          2HB       LYS   6   3.993  11.194  -8.724
   29   2HB   LYS   6          1HB       LYS   6   2.819  10.075  -8.043
   30   1HG   LYS   6          2HG       LYS   6   3.219  11.070  -5.813
   31   2HG   LYS   6          1HG       LYS   6   4.302  12.243  -6.570
   32   1HD   LYS   6          2HD       LYS   6   2.468  13.058  -7.949
   33   2HD   LYS   6          1HD       LYS   6   1.383  11.870  -7.230
   34   1HE   LYS   6          2HE       LYS   6   1.792  12.909  -5.023
   35   2HE   LYS   6          1HE       LYS   6   2.764  14.145  -5.818
   36   1HZ   LYS   6          3HZ       LYS   6  -0.107  13.606  -6.338
   37   2HZ   LYS   6          2HZ       LYS   6   0.499  14.896  -5.428
   38   3HZ   LYS   6          1HZ       LYS   6   0.823  14.810  -7.092
   39    H    ILE   9           H        ILE   9   6.886   4.565  -1.864
   40    HA   ILE   9           HA       ILE   9   9.384   3.802  -3.184
   41    HB   ILE   9           HB       ILE   9   9.605   4.056  -0.795
   42   1HG1  ILE   9          2HG1      ILE   9   9.530   1.125  -1.532
   43   2HG1  ILE   9          1HG1      ILE   9  10.870   2.225  -1.830
   44   1HG2  ILE   9          3HG2      ILE   9   7.305   2.125  -0.570
   45   2HG2  ILE   9          2HG2      ILE   9   8.326   2.617   0.775
   46   3HG2  ILE   9          1HG2      ILE   9   7.341   3.813  -0.064
   47   1HD1  ILE   9          2HD1      ILE   9   9.830   1.414   0.871
   48   2HD1  ILE   9          1HD1      ILE   9  11.293   0.810   0.096
   49   3HD1  ILE   9          3HD1      ILE   9  11.183   2.505   0.568
   50    H    LYS  10           H        LYS  10   9.624   1.922  -4.244
   51    HA   LYS  10           HA       LYS  10   7.297   0.115  -4.351
   52   1HB   LYS  10          2HB       LYS  10   9.485   0.346  -6.427
   53   2HB   LYS  10          1HB       LYS  10   7.992  -0.567  -6.553
   54   1HG   LYS  10          2HG       LYS  10   7.508   1.272  -7.832
   55   2HG   LYS  10          1HG       LYS  10   6.865   1.764  -6.257
   56   1HD   LYS  10          2HD       LYS  10   8.944   2.993  -5.808
   57   2HD   LYS  10          1HD       LYS  10   9.564   2.518  -7.386
   58   1HE   LYS  10          2HE       LYS  10   8.719   4.756  -7.529
   59   2HE   LYS  10          1HE       LYS  10   7.643   3.689  -8.431
   60   1HZ   LYS  10          1HZ       LYS  10   7.135   4.587  -5.646
   61   2HZ   LYS  10          3HZ       LYS  10   6.499   5.347  -7.020
   62   3HZ   LYS  10          2HZ       LYS  10   6.059   3.751  -6.664
   63    H    ALA  11           H        ALA  11   7.775  -1.298  -2.733
   64    HA   ALA  11           HA       ALA  11  10.463  -2.512  -2.734
   65   1HB   ALA  11          1HB       ALA  11   9.835  -1.372  -0.658
   66   2HB   ALA  11          3HB       ALA  11   8.427  -2.425  -0.509
   67   3HB   ALA  11          2HB       ALA  11  10.050  -3.105  -0.415
   68    H    LYS  13           H        LYS  13   8.085  -6.291  -6.188
   69    HA   LYS  13           HA       LYS  13   8.661  -6.710  -8.335
   70   1HB   LYS  13          2HB       LYS  13  10.054  -4.640  -7.884
   71   2HB   LYS  13          1HB       LYS  13  11.421  -5.710  -7.620
   72   1HG   LYS  13          2HG       LYS  13  11.250  -6.530  -9.900
   73   2HG   LYS  13          1HG       LYS  13   9.831  -5.515 -10.165
   74   1HD   LYS  13          2HD       LYS  13  11.165  -3.518  -9.818
   75   2HD   LYS  13          1HD       LYS  13  12.585  -4.504  -9.461
   76   1HE   LYS  13          2HE       LYS  13  11.082  -4.507 -12.079
   77   2HE   LYS  13          1HE       LYS  13  12.575  -3.619 -11.769
   78   1HZ   LYS  13          3HZ       LYS  13  12.294  -6.571 -11.552
   79   2HZ   LYS  13          2HZ       LYS  13  12.939  -5.762 -12.889
   80   3HZ   LYS  13          1HZ       LYS  13  13.725  -5.675 -11.396
   81    H    LYS  14           H        LYS  14   9.180  -8.690  -6.152
   82    HA   LYS  14           HA       LYS  14  10.342 -10.688  -7.818
   83   1HB   LYS  14          2HB       LYS  14  12.145 -11.363  -6.240
   84   2HB   LYS  14          1HB       LYS  14  12.435  -9.818  -7.024
   85   1HG   LYS  14          2HG       LYS  14  11.615  -8.692  -4.956
   86   2HG   LYS  14          1HG       LYS  14  11.523 -10.281  -4.186
   87   1HD   LYS  14          2HD       LYS  14  13.600  -9.290  -3.560
   88   2HD   LYS  14          1HD       LYS  14  13.949 -10.580  -4.712
   89   1HE   LYS  14          2HE       LYS  14  15.284  -8.619  -5.223
   90   2HE   LYS  14          1HE       LYS  14  14.111  -8.911  -6.506
   91   1HZ   LYS  14          2HZ       LYS  14  12.690  -7.198  -5.535
   92   2HZ   LYS  14          1HZ       LYS  14  13.836  -6.910  -4.317
   93   3HZ   LYS  14          3HZ       LYS  14  14.207  -6.565  -5.943
   94    H    LEU  15           H        LEU  15   8.121 -11.262  -7.421
   95    HA   LEU  15           HA       LEU  15   6.518 -12.590  -6.517
   96   1HB   LEU  15          2HB       LEU  15   8.781 -13.604  -4.790
   97   2HB   LEU  15          1HB       LEU  15   7.203 -14.356  -4.935
   98    HG   LEU  15           HG       LEU  15   9.216 -14.061  -7.166
   99   1HD1  LEU  15          1HD1      LEU  15   9.909 -15.687  -5.491
  100   2HD1  LEU  15          3HD1      LEU  15   8.340 -16.487  -5.607
  101   3HD1  LEU  15          2HD1      LEU  15   9.435 -16.487  -6.992
  102   1HD2  LEU  15          1HD2      LEU  15   6.538 -15.447  -7.101
  103   2HD2  LEU  15          3HD2      LEU  15   6.929 -13.976  -7.995
  104   3HD2  LEU  15          2HD2      LEU  15   7.693 -15.502  -8.436
  105    H    CYS  16           H        CYS  16   7.054  -9.932  -5.405
  106    HA   CYS  16           HA       CYS  16   6.347 -10.256  -2.581
  107   1HB   CYS  16          2HB       CYS  16   6.905  -7.716  -4.123
  108   2HB   CYS  16          1HB       CYS  16   6.756  -7.876  -2.378
  109    H    ARG  17           H        ARG  17   4.300 -10.187  -1.968
  110    HA   ARG  17           HA       ARG  17   2.364  -8.745  -3.659
  111   1HB   ARG  17          2HB       ARG  17   0.663 -10.438  -3.035
  112   2HB   ARG  17          1HB       ARG  17   1.986 -11.116  -3.972
  113   1HG   ARG  17          2HG       ARG  17   2.274 -11.262  -1.038
  114   2HG   ARG  17          1HG       ARG  17   0.989 -12.242  -1.745
  115   1HD   ARG  17          2HD       ARG  17   3.848 -12.263  -2.703
  116   2HD   ARG  17          1HD       ARG  17   3.201 -13.401  -1.518
  117    HE   ARG  17           HE       ARG  17   1.723 -13.272  -3.998
  118   1HH1  ARG  17          1HH1      ARG  17   4.405 -14.805  -2.313
  119   2HH1  ARG  17          2HH1      ARG  17   4.304 -16.264  -3.254
  120   1HH2  ARG  17          1HH2      ARG  17   1.634 -15.196  -5.225
  121   2HH2  ARG  17          2HH2      ARG  17   2.763 -16.479  -4.904
  122    H    GLY  18           H        GLY  18   3.880  -7.917  -1.272
  123   1HA   GLY  18          1HA       GLY  18   3.584  -7.210   0.923
  124   2HA   GLY  18          2HA       GLY  18   2.001  -7.970   0.926
  125    H    PHE  19           H        PHE  19   2.426  -5.977  -1.766
  126    HA   PHE  19           HA       PHE  19   1.509  -3.582  -0.370
  127   1HB   PHE  19          2HB       PHE  19   3.282  -3.422  -2.127
  128   2HB   PHE  19          1HB       PHE  19   2.094  -3.949  -3.310
  129    HD1  PHE  19          1HD       PHE  19   2.903  -1.257  -0.913
  130    HD2  PHE  19          2HD       PHE  19   0.606  -2.427  -4.304
  131    HE1  PHE  19          1HE       PHE  19   2.202   1.079  -1.242
  132    HE2  PHE  19          2HE       PHE  19  -0.099  -0.095  -4.633
  133    HZ   PHE  19           HZ       PHE  19   0.697   1.664  -3.101
  134    H    LEU  21           H        LEU  21  -2.186  -3.590   1.480
  135    HA   LEU  21           HA       LEU  21  -3.807  -5.752   2.393
  136   1HB   LEU  21          2HB       LEU  21  -2.159  -4.691   3.862
  137   2HB   LEU  21          1HB       LEU  21  -3.014  -3.165   3.752
  138    HG   LEU  21           HG       LEU  21  -4.935  -4.164   4.925
  139   1HD1  LEU  21          2HD1      LEU  21  -3.151  -6.576   5.194
  140   2HD1  LEU  21          1HD1      LEU  21  -4.689  -6.337   6.028
  141   3HD1  LEU  21          3HD1      LEU  21  -4.649  -6.484   4.266
  142   1HD2  LEU  21          3HD2      LEU  21  -2.299  -4.440   6.353
  143   2HD2  LEU  21          2HD2      LEU  21  -3.238  -2.959   6.179
  144   3HD2  LEU  21          1HD2      LEU  21  -3.879  -4.299   7.125
  145    H    CYS  23           H        CYS  23  -5.682  -4.669  -0.863
  146    HA   CYS  23           HA       CYS  23  -6.365  -2.332  -2.399
  147   1HB   CYS  23          2HB       CYS  23  -4.441  -4.571  -2.649
  148   2HB   CYS  23          1HB       CYS  23  -4.965  -3.830  -4.153
  149    H    GLY  24           H        GLY  24  -7.355  -5.638  -2.276
  150   1HA   GLY  24          1HA       GLY  24  -8.261  -6.656  -4.414
  151   2HA   GLY  24          2HA       GLY  24  -9.137  -5.142  -4.582
  152    H    CYS  25           H        CYS  25  -9.952  -4.742  -1.964
  153    HA   CYS  25           HA       CYS  25 -11.803  -6.998  -1.598
  154   1HB   CYS  25          2HB       CYS  25 -11.708  -6.527   0.847
  155   2HB   CYS  25          1HB       CYS  25 -10.193  -7.120   0.183
  156    H    HIS  26           H        HIS  26 -13.859  -6.416  -0.635
  157    HA   HIS  26           HA       HIS  26 -14.585  -3.615  -1.155
  158   1HB   HIS  26          2HB       HIS  26 -16.221  -6.138  -0.996
  159   2HB   HIS  26          1HB       HIS  26 -16.973  -4.551  -0.858
  160    HD1  HIS  26          1HD       HIS  26 -17.226  -3.171  -2.990
  161    HD2  HIS  26          2HD       HIS  26 -15.194  -6.758  -3.559
  162    HE1  HIS  26          1HE       HIS  26 -17.060  -3.474  -5.479
  163    HE2  HIS  26          2HE       HIS  26 -16.094  -5.775  -5.779
  164    H    PHE  27           H        PHE  27 -14.608  -2.320   0.508
  165    HA   PHE  27           HA       PHE  27 -14.112  -3.197   3.127
  166   1HB   PHE  27          2HB       PHE  27 -15.050  -0.500   2.144
  167   2HB   PHE  27          1HB       PHE  27 -14.442  -0.826   3.764
  168    HD1  PHE  27          1HD       PHE  27 -12.073  -2.065   3.761
  169    HD2  PHE  27          2HD       PHE  27 -13.573   0.383   0.623
  170    HE1  PHE  27          1HE       PHE  27  -9.772  -1.656   2.991
  171    HE2  PHE  27          2HE       PHE  27 -11.276   0.797  -0.151
  172    HZ   PHE  27           HZ       PHE  27  -9.372  -0.224   1.027
  173    H    GLY  29           H        GLY  29 -19.478  -3.953   3.814
  174   1HA   GLY  29          1HA       GLY  29 -20.230  -6.391   5.016
  175   2HA   GLY  29          2HA       GLY  29 -19.308  -6.733   3.563
  176    H    LYS  30           H        LYS  30 -20.546  -7.215   1.939
  177    HA   LYS  30           HA       LYS  30 -23.293  -6.216   1.823
  178   1HB   LYS  30          2HB       LYS  30 -21.187  -5.872  -0.296
  179   2HB   LYS  30          1HB       LYS  30 -22.876  -6.027  -0.750
  180   1HG   LYS  30          2HG       LYS  30 -21.772  -3.931   1.101
  181   2HG   LYS  30          1HG       LYS  30 -22.148  -3.689  -0.599
  182   1HD   LYS  30          2HD       LYS  30 -24.494  -4.256  -0.155
  183   2HD   LYS  30          1HD       LYS  30 -24.112  -4.478   1.545
  184   1HE   LYS  30          2HE       LYS  30 -25.091  -2.300   1.234
  185   2HE   LYS  30          1HE       LYS  30 -23.391  -2.118   1.656
  186   1HZ   LYS  30          2HZ       LYS  30 -24.510  -1.950  -1.092
  187   2HZ   LYS  30          1HZ       LYS  30 -24.059  -0.626  -0.130
  188   3HZ   LYS  30          3HZ       LYS  30 -22.882  -1.727  -0.661
  189    H    LYS  31           H        LYS  31 -24.045  -7.436  -0.572
  190    HA   LYS  31           HA       LYS  31 -23.716 -10.257   0.086
  191   1HB   LYS  31          2HB       LYS  31 -25.600  -8.763  -1.728
  192   2HB   LYS  31          1HB       LYS  31 -25.460 -10.513  -1.779
  193   1HG   LYS  31          2HG       LYS  31 -26.194  -8.931   0.671
  194   2HG   LYS  31          1HG       LYS  31 -27.350  -9.710  -0.407
  195   1HD   LYS  31          2HD       LYS  31 -26.244 -11.882   0.050
  196   2HD   LYS  31          1HD       LYS  31 -25.205 -11.066   1.222
  197   1HE   LYS  31          2HE       LYS  31 -27.154 -10.422   2.527
  198   2HE   LYS  31          1HE       LYS  31 -28.215 -11.176   1.339
  199   1HZ   LYS  31          2HZ       LYS  31 -27.118 -13.315   1.847
  200   2HZ   LYS  31          1HZ       LYS  31 -26.244 -12.553   3.084
  201   3HZ   LYS  31          3HZ       LYS  31 -27.933 -12.651   3.180

  No H/Q in entry =         201
  Start of MODEL    7
    1    H    ALA   2           H        ALA   2  17.116  22.800  -5.444
    2    HA   ALA   2           HA       ALA   2  18.335  20.348  -6.307
    3   1HB   ALA   2          3HB       ALA   2  18.576  21.809  -3.678
    4   2HB   ALA   2          2HB       ALA   2  19.598  20.477  -4.220
    5   3HB   ALA   2          1HB       ALA   2  19.631  22.016  -5.079
    6    H    ILE   4           H        ILE   4  16.633  16.819  -6.683
    7    HA   ILE   4           HA       ILE   4  13.770  16.731  -7.077
    8    HB   ILE   4           HB       ILE   4  14.388  16.127  -9.446
    9   1HG1  ILE   4          2HG1      ILE   4  17.178  16.823  -8.498
   10   2HG1  ILE   4          1HG1      ILE   4  16.636  15.207  -8.939
   11   1HG2  ILE   4          3HG2      ILE   4  13.814  18.391  -8.776
   12   2HG2  ILE   4          2HG2      ILE   4  15.494  18.695  -8.325
   13   3HG2  ILE   4          1HG2      ILE   4  15.067  18.401 -10.016
   14   1HD1  ILE   4          1HD1      ILE   4  16.766  17.579 -10.782
   15   2HD1  ILE   4          3HD1      ILE   4  17.911  16.240 -10.726
   16   3HD1  ILE   4          2HD1      ILE   4  16.243  15.953 -11.217
   17    H    VAL   5           H        VAL   5  12.609  15.008  -6.778
   18    HA   VAL   5           HA       VAL   5  13.718  12.392  -7.461
   19    HB   VAL   5           HB       VAL   5  13.855  12.383  -5.069
   20   1HG1  VAL   5          3HG1      VAL   5  10.992  13.323  -5.030
   21   2HG1  VAL   5          2HG1      VAL   5  11.940  12.864  -3.620
   22   3HG1  VAL   5          1HG1      VAL   5  12.411  14.267  -4.580
   23   1HG2  VAL   5          2HG2      VAL   5  11.368  10.921  -5.942
   24   2HG2  VAL   5          1HG2      VAL   5  13.025  10.328  -6.041
   25   3HG2  VAL   5          3HG2      VAL   5  12.278  10.598  -4.472
   26    H    LYS   6           H        LYS   6  12.542  11.635  -9.070
   27    HA   LYS   6           HA       LYS   6   9.931  12.788  -9.581
   28   1HB   LYS   6          2HB       LYS   6  11.470  10.744 -11.202
   29   2HB   LYS   6          1HB       LYS   6  10.045  11.631 -11.725
   30   1HG   LYS   6          2HG       LYS   6  12.755  12.792 -11.109
   31   2HG   LYS   6          1HG       LYS   6  12.029  12.598 -12.706
   32   1HD   LYS   6          2HD       LYS   6  10.871  14.299 -10.504
   33   2HD   LYS   6          1HD       LYS   6  11.889  14.917 -11.801
   34   1HE   LYS   6          2HE       LYS   6   9.267  13.475 -12.208
   35   2HE   LYS   6          1HE       LYS   6   9.452  15.229 -12.194
   36   1HZ   LYS   6          1HZ       LYS   6  11.069  14.932 -14.060
   37   2HZ   LYS   6          3HZ       LYS   6  10.597  13.303 -14.140
   38   3HZ   LYS   6          2HZ       LYS   6   9.465  14.528 -14.444
   39    H    ILE   9           H        ILE   9   6.316   8.967  -3.808
   40    HA   ILE   9           HA       ILE   9   7.357   6.227  -3.664
   41    HB   ILE   9           HB       ILE   9   6.132   7.700  -1.311
   42   1HG1  ILE   9          2HG1      ILE   9   8.985   6.750  -1.681
   43   2HG1  ILE   9          1HG1      ILE   9   8.458   8.426  -1.816
   44   1HG2  ILE   9          1HG2      ILE   9   7.265   4.913  -1.525
   45   2HG2  ILE   9          3HG2      ILE   9   6.709   5.676  -0.038
   46   3HG2  ILE   9          2HG2      ILE   9   5.564   5.339  -1.339
   47   1HD1  ILE   9          1HD1      ILE   9   8.281   6.716   0.652
   48   2HD1  ILE   9          3HD1      ILE   9   9.490   7.961   0.335
   49   3HD1  ILE   9          2HD1      ILE   9   7.793   8.406   0.519
   50    H    LYS  10           H        LYS  10   5.805   4.749  -4.164
   51    HA   LYS  10           HA       LYS  10   3.194   5.706  -4.911
   52   1HB   LYS  10          2HB       LYS  10   4.342   2.913  -4.853
   53   2HB   LYS  10          1HB       LYS  10   2.753   3.324  -5.487
   54   1HG   LYS  10          2HG       LYS  10   3.887   4.825  -7.136
   55   2HG   LYS  10          1HG       LYS  10   5.428   4.176  -6.561
   56   1HD   LYS  10          2HD       LYS  10   4.683   2.990  -8.560
   57   2HD   LYS  10          1HD       LYS  10   4.690   1.914  -7.160
   58   1HE   LYS  10          2HE       LYS  10   2.238   2.467  -6.889
   59   2HE   LYS  10          1HE       LYS  10   2.331   3.230  -8.479
   60   1HZ   LYS  10          3HZ       LYS  10   3.102   1.087  -9.379
   61   2HZ   LYS  10          2HZ       LYS  10   2.862   0.378  -7.854
   62   3HZ   LYS  10          1HZ       LYS  10   1.543   1.000  -8.716
   63    H    ALA  11           H        ALA  11   2.844   6.463  -2.641
   64    HA   ALA  11           HA       ALA  11   1.703   6.375  -0.691
   65   1HB   ALA  11          1HB       ALA  11   0.633   3.755  -1.735
   66   2HB   ALA  11          3HB       ALA  11  -0.040   4.701  -0.406
   67   3HB   ALA  11          2HB       ALA  11  -0.060   5.346  -2.046
   68    H    LYS  13           H        LYS  13   2.891   6.136   2.137
   69    HA   LYS  13           HA       LYS  13   3.720   7.812   3.395
   70   1HB   LYS  13          2HB       LYS  13   3.965   5.707   5.541
   71   2HB   LYS  13          1HB       LYS  13   4.125   7.439   5.794
   72   1HG   LYS  13          2HG       LYS  13   1.824   7.781   5.137
   73   2HG   LYS  13          1HG       LYS  13   1.653   6.063   4.769
   74   1HD   LYS  13          2HD       LYS  13   2.198   5.582   7.163
   75   2HD   LYS  13          1HD       LYS  13   2.130   7.319   7.465
   76   1HE   LYS  13          2HE       LYS  13  -0.184   7.380   6.733
   77   2HE   LYS  13          1HE       LYS  13  -0.119   5.664   6.334
   78   1HZ   LYS  13          1HZ       LYS  13   0.371   5.241   8.715
   79   2HZ   LYS  13          3HZ       LYS  13   0.073   6.881   9.029
   80   3HZ   LYS  13          2HZ       LYS  13  -1.168   5.891   8.434
   81    H    LYS  14           H        LYS  14   5.631   4.915   4.201
   82    HA   LYS  14           HA       LYS  14   8.035   6.363   3.317
   83   1HB   LYS  14          2HB       LYS  14   8.007   6.379   5.767
   84   2HB   LYS  14          1HB       LYS  14   7.791   4.635   5.791
   85   1HG   LYS  14          2HG       LYS  14   9.989   4.352   4.734
   86   2HG   LYS  14          1HG       LYS  14  10.201   6.106   4.742
   87   1HD   LYS  14          2HD       LYS  14   9.787   4.406   7.201
   88   2HD   LYS  14          1HD       LYS  14  11.353   4.965   6.618
   89   1HE   LYS  14          2HE       LYS  14   9.065   6.750   7.432
   90   2HE   LYS  14          1HE       LYS  14  10.464   6.369   8.430
   91   1HZ   LYS  14          3HZ       LYS  14  11.864   7.337   6.647
   92   2HZ   LYS  14          2HZ       LYS  14  10.448   7.855   5.862
   93   3HZ   LYS  14          1HZ       LYS  14  10.838   8.459   7.397
   94    H    LEU  15           H        LEU  15   7.143   3.126   4.521
   95    HA   LEU  15           HA       LEU  15   8.695   2.009   2.281
   96   1HB   LEU  15          2HB       LEU  15   8.001   0.728   4.928
   97   2HB   LEU  15          1HB       LEU  15   9.012   0.035   3.676
   98    HG   LEU  15           HG       LEU  15   9.680   2.534   5.236
   99   1HD1  LEU  15          3HD1      LEU  15   9.710   0.557   6.655
  100   2HD1  LEU  15          2HD1      LEU  15  10.739  -0.273   5.486
  101   3HD1  LEU  15          1HD1      LEU  15  11.345   1.143   6.345
  102   1HD2  LEU  15          2HD2      LEU  15  10.661   2.489   2.994
  103   2HD2  LEU  15          1HD2      LEU  15  11.891   2.271   4.238
  104   3HD2  LEU  15          3HD2      LEU  15  11.318   0.883   3.315
  105    H    CYS  16           H        CYS  16   6.026   1.013   4.414
  106    HA   CYS  16           HA       CYS  16   4.458  -0.602   4.144
  107   1HB   CYS  16          2HB       CYS  16   4.073   1.326   1.910
  108   2HB   CYS  16          1HB       CYS  16   3.065  -0.116   1.960
  109    H    ARG  17           H        ARG  17   5.995  -2.297   3.933
  110    HA   ARG  17           HA       ARG  17   6.627  -3.224   1.255
  111   1HB   ARG  17          2HB       ARG  17   7.372  -4.311   3.976
  112   2HB   ARG  17          1HB       ARG  17   7.943  -4.965   2.447
  113   1HG   ARG  17          2HG       ARG  17   9.063  -2.856   1.945
  114   2HG   ARG  17          1HG       ARG  17   8.467  -2.182   3.466
  115   1HD   ARG  17          2HD       ARG  17   9.683  -3.938   4.689
  116   2HD   ARG  17          1HD       ARG  17  10.323  -4.538   3.162
  117    HE   ARG  17           HE       ARG  17  11.327  -2.213   2.960
  118   1HH1  ARG  17          1HH1      ARG  17  10.659  -3.750   6.019
  119   2HH1  ARG  17          2HH1      ARG  17  11.946  -2.939   6.861
  120   1HH2  ARG  17          1HH2      ARG  17  13.055  -1.139   4.054
  121   2HH2  ARG  17          2HH2      ARG  17  13.307  -1.464   5.743
  122    H    GLY  18           H        GLY  18   3.961  -3.272   2.789
  123   1HA   GLY  18          1HA       GLY  18   2.638  -5.382   3.375
  124   2HA   GLY  18          2HA       GLY  18   3.213  -5.933   1.802
  125    H    PHE  19           H        PHE  19   2.946  -3.953   0.141
  126    HA   PHE  19           HA       PHE  19   0.423  -2.590   0.473
  127   1HB   PHE  19          2HB       PHE  19   2.496  -1.635  -0.665
  128   2HB   PHE  19          1HB       PHE  19   2.104  -2.693  -2.017
  129    HD1  PHE  19          1HD       PHE  19   0.611  -1.998  -3.648
  130    HD2  PHE  19          2HD       PHE  19   0.703  -0.017   0.107
  131    HE1  PHE  19          1HE       PHE  19  -0.948  -0.294  -4.515
  132    HE2  PHE  19          2HE       PHE  19  -0.859   1.687  -0.740
  133    HZ   PHE  19           HZ       PHE  19  -1.686   1.549  -3.050
  134    H    LEU  21           H        LEU  21  -2.434  -4.201   1.089
  135    HA   LEU  21           HA       LEU  21  -4.653  -6.035   1.625
  136   1HB   LEU  21          2HB       LEU  21  -2.807  -4.484   3.437
  137   2HB   LEU  21          1HB       LEU  21  -4.293  -5.196   4.029
  138    HG   LEU  21           HG       LEU  21  -3.415  -7.435   3.275
  139   1HD1  LEU  21          2HD1      LEU  21  -0.844  -5.892   2.971
  140   2HD1  LEU  21          1HD1      LEU  21  -1.009  -7.647   2.922
  141   3HD1  LEU  21          3HD1      LEU  21  -1.758  -6.655   1.671
  142   1HD2  LEU  21          3HD2      LEU  21  -3.358  -6.725   5.608
  143   2HD2  LEU  21          2HD2      LEU  21  -1.940  -7.694   5.198
  144   3HD2  LEU  21          1HD2      LEU  21  -1.801  -5.941   5.334
  145    H    CYS  23           H        CYS  23  -6.508  -4.199  -0.651
  146    HA   CYS  23           HA       CYS  23  -7.024  -1.751  -2.207
  147   1HB   CYS  23          2HB       CYS  23  -5.195  -2.572  -3.697
  148   2HB   CYS  23          1HB       CYS  23  -4.657  -2.213  -2.062
  149    H    GLY  24           H        GLY  24  -6.875  -5.293  -2.445
  150   1HA   GLY  24          1HA       GLY  24  -7.747  -6.496  -4.362
  151   2HA   GLY  24          2HA       GLY  24  -8.873  -5.166  -4.624
  152    H    CYS  25           H        CYS  25  -9.327  -4.955  -1.721
  153    HA   CYS  25           HA       CYS  25 -10.526  -7.426  -0.897
  154   1HB   CYS  25          2HB       CYS  25 -11.454  -5.707   0.904
  155   2HB   CYS  25          1HB       CYS  25  -9.800  -6.308   0.946
  156    H    HIS  26           H        HIS  26 -12.536  -8.065  -1.192
  157    HA   HIS  26           HA       HIS  26 -14.252  -6.434  -2.869
  158   1HB   HIS  26          2HB       HIS  26 -14.498  -9.315  -1.965
  159   2HB   HIS  26          1HB       HIS  26 -15.611  -8.513  -3.071
  160    HD1  HIS  26          1HD       HIS  26 -15.138  -9.004  -5.442
  161    HD2  HIS  26          2HD       HIS  26 -11.691  -9.157  -3.123
  162    HE1  HIS  26          1HE       HIS  26 -13.281  -9.643  -7.019
  163    HE2  HIS  26          2HE       HIS  26 -11.187  -9.596  -5.620
  164    H    PHE  27           H        PHE  27 -15.794  -5.247  -2.077
  165    HA   PHE  27           HA       PHE  27 -16.469  -5.206   0.662
  166   1HB   PHE  27          2HB       PHE  27 -16.616  -3.221  -0.808
  167   2HB   PHE  27          1HB       PHE  27 -17.968  -3.966  -1.650
  168    HD1  PHE  27          1HD       PHE  27 -16.888  -2.790   1.701
  169    HD2  PHE  27          2HD       PHE  27 -20.137  -3.651  -0.902
  170    HE1  PHE  27          1HE       PHE  27 -18.450  -1.808   3.325
  171    HE2  PHE  27          2HE       PHE  27 -21.707  -2.677   0.720
  172    HZ   PHE  27           HZ       PHE  27 -20.842  -1.742   2.856
  173    H    GLY  29           H        GLY  29 -20.470  -8.225  -1.060
  174   1HA   GLY  29          1HA       GLY  29 -21.047 -10.707  -1.500
  175   2HA   GLY  29          2HA       GLY  29 -19.299 -10.881  -1.505
  176    H    LYS  30           H        LYS  30 -18.964  -8.219  -2.778
  177    HA   LYS  30           HA       LYS  30 -20.226  -8.555  -5.366
  178   1HB   LYS  30          2HB       LYS  30 -20.045  -6.310  -4.406
  179   2HB   LYS  30          1HB       LYS  30 -18.291  -6.450  -4.392
  180   1HG   LYS  30          2HG       LYS  30 -19.150  -5.095  -6.271
  181   2HG   LYS  30          1HG       LYS  30 -18.213  -6.496  -6.792
  182   1HD   LYS  30          2HD       LYS  30 -20.174  -6.271  -8.178
  183   2HD   LYS  30          1HD       LYS  30 -20.311  -7.723  -7.192
  184   1HE   LYS  30          2HE       LYS  30 -22.434  -6.580  -7.241
  185   2HE   LYS  30          1HE       LYS  30 -21.756  -6.477  -5.617
  186   1HZ   LYS  30          3HZ       LYS  30 -21.450  -4.325  -7.632
  187   2HZ   LYS  30          2HZ       LYS  30 -22.744  -4.382  -6.533
  188   3HZ   LYS  30          1HZ       LYS  30 -21.150  -4.239  -5.964
  189    H    LYS  31           H        LYS  31 -19.330  -9.421  -7.095
  190    HA   LYS  31           HA       LYS  31 -16.798 -10.764  -6.821
  191   1HB   LYS  31          2HB       LYS  31 -18.595 -10.643  -9.256
  192   2HB   LYS  31          1HB       LYS  31 -17.359 -11.843  -8.897
  193   1HG   LYS  31          2HG       LYS  31 -18.664 -12.680  -7.043
  194   2HG   LYS  31          1HG       LYS  31 -19.883 -11.435  -7.314
  195   1HD   LYS  31          2HD       LYS  31 -20.257 -12.380  -9.582
  196   2HD   LYS  31          1HD       LYS  31 -19.136 -13.683  -9.183
  197   1HE   LYS  31          2HE       LYS  31 -21.720 -13.041  -7.763
  198   2HE   LYS  31          1HE       LYS  31 -21.448 -14.393  -8.857
  199   1HZ   LYS  31          2HZ       LYS  31 -20.076 -13.979  -6.251
  200   2HZ   LYS  31          1HZ       LYS  31 -21.326 -15.085  -6.546
  201   3HZ   LYS  31          3HZ       LYS  31 -19.824 -15.284  -7.308

  No H/Q in entry =         201
  Start of MODEL    8
    1    H    ALA   2           H        ALA   2  -7.752  -4.593  17.636
    2    HA   ALA   2           HA       ALA   2  -4.882  -4.037  18.046
    3   1HB   ALA   2          2HB       ALA   2  -6.344  -4.553  15.457
    4   2HB   ALA   2          1HB       ALA   2  -4.626  -4.187  15.617
    5   3HB   ALA   2          3HB       ALA   2  -5.276  -5.680  16.294
    6    H    ILE   4           H        ILE   4  -6.982  -0.070  15.554
    7    HA   ILE   4           HA       ILE   4  -5.338   0.194  13.252
    8    HB   ILE   4           HB       ILE   4  -7.473   0.715  12.059
    9   1HG1  ILE   4          2HG1      ILE   4  -8.699   0.286  14.793
   10   2HG1  ILE   4          1HG1      ILE   4  -8.635   1.821  13.939
   11   1HG2  ILE   4          2HG2      ILE   4  -7.430  -1.727  13.823
   12   2HG2  ILE   4          1HG2      ILE   4  -8.442  -1.529  12.390
   13   3HG2  ILE   4          3HG2      ILE   4  -6.685  -1.557  12.230
   14   1HD1  ILE   4          2HD1      ILE   4 -10.036   0.875  12.172
   15   2HD1  ILE   4          1HD1      ILE   4 -10.131  -0.639  13.072
   16   3HD1  ILE   4          3HD1      ILE   4 -10.821   0.837  13.746
   17    H    VAL   5           H        VAL   5  -4.477   1.937  12.362
   18    HA   VAL   5           HA       VAL   5  -5.336   4.565  13.368
   19    HB   VAL   5           HB       VAL   5  -3.100   5.403  12.739
   20   1HG1  VAL   5          3HG1      VAL   5  -3.077   3.026  14.596
   21   2HG1  VAL   5          2HG1      VAL   5  -1.842   4.284  14.532
   22   3HG1  VAL   5          1HG1      VAL   5  -3.488   4.688  15.019
   23   1HG2  VAL   5          3HG2      VAL   5  -2.575   3.823  10.957
   24   2HG2  VAL   5          2HG2      VAL   5  -1.310   3.826  12.187
   25   3HG2  VAL   5          1HG2      VAL   5  -2.484   2.510  12.136
   26    H    LYS   6           H        LYS   6  -4.998   6.368  11.782
   27    HA   LYS   6           HA       LYS   6  -6.254   5.629   9.276
   28   1HB   LYS   6          2HB       LYS   6  -6.402   8.104   8.934
   29   2HB   LYS   6          1HB       LYS   6  -7.172   7.534  10.405
   30   1HG   LYS   6          2HG       LYS   6  -5.166   8.218  11.680
   31   2HG   LYS   6          1HG       LYS   6  -4.487   8.873  10.186
   32   1HD   LYS   6          2HD       LYS   6  -6.363  10.420  10.000
   33   2HD   LYS   6          1HD       LYS   6  -7.082   9.742  11.459
   34   1HE   LYS   6          2HE       LYS   6  -4.406  11.122  11.301
   35   2HE   LYS   6          1HE       LYS   6  -5.898  11.854  11.891
   36   1HZ   LYS   6          1HZ       LYS   6  -4.553   9.492  13.094
   37   2HZ   LYS   6          3HZ       LYS   6  -4.499  11.073  13.701
   38   3HZ   LYS   6          2HZ       LYS   6  -5.970  10.233  13.665
   39    H    ILE   9           H        ILE   9   1.262   7.216   7.811
   40    HA   ILE   9           HA       ILE   9   2.708   8.968   5.943
   41    HB   ILE   9           HB       ILE   9   4.002   8.436   7.940
   42   1HG1  ILE   9          2HG1      ILE   9   5.980   7.344   6.856
   43   2HG1  ILE   9          1HG1      ILE   9   4.956   6.989   5.461
   44   1HG2  ILE   9          1HG2      ILE   9   3.587   5.548   7.188
   45   2HG2  ILE   9          3HG2      ILE   9   4.674   6.125   8.452
   46   3HG2  ILE   9          2HG2      ILE   9   2.935   6.370   8.603
   47   1HD1  ILE   9          2HD1      ILE   9   5.592   9.749   6.500
   48   2HD1  ILE   9          1HD1      ILE   9   6.356   8.965   5.115
   49   3HD1  ILE   9          3HD1      ILE   9   4.639   9.359   5.061
   50    H    LYS  10           H        LYS  10   3.364   8.166   3.966
   51    HA   LYS  10           HA       LYS  10   1.887   5.976   2.871
   52   1HB   LYS  10          2HB       LYS  10   2.428   7.883   1.476
   53   2HB   LYS  10          1HB       LYS  10   4.148   7.640   1.742
   54   1HG   LYS  10          2HG       LYS  10   3.954   5.443   0.586
   55   2HG   LYS  10          1HG       LYS  10   2.280   5.854   0.199
   56   1HD   LYS  10          2HD       LYS  10   3.031   7.821  -1.009
   57   2HD   LYS  10          1HD       LYS  10   4.703   7.475  -0.574
   58   1HE   LYS  10          2HE       LYS  10   4.565   5.348  -1.801
   59   2HE   LYS  10          1HE       LYS  10   2.913   5.749  -2.274
   60   1HZ   LYS  10          2HZ       LYS  10   3.808   7.764  -3.358
   61   2HZ   LYS  10          1HZ       LYS  10   5.382   7.231  -3.019
   62   3HZ   LYS  10          3HZ       LYS  10   4.384   6.329  -4.056
   63    H    ALA  11           H        ALA  11   2.377   3.936   3.189
   64    HA   ALA  11           HA       ALA  11   5.059   3.146   3.954
   65   1HB   ALA  11          1HB       ALA  11   3.150   2.202   5.162
   66   2HB   ALA  11          2HB       ALA  11   4.073   0.940   4.345
   67   3HB   ALA  11          3HB       ALA  11   2.547   1.496   3.661
   68    H    LYS  13           H        LYS  13   8.404   2.566   1.913
   69    HA   LYS  13           HA       LYS  13   9.568   4.095  -0.265
   70   1HB   LYS  13          2HB       LYS  13  10.420   3.761   2.610
   71   2HB   LYS  13          1HB       LYS  13  11.265   4.760   1.440
   72   1HG   LYS  13          2HG       LYS  13   9.322   6.188   1.201
   73   2HG   LYS  13          1HG       LYS  13   8.416   5.159   2.315
   74   1HD   LYS  13          2HD       LYS  13  10.009   5.683   4.099
   75   2HD   LYS  13          1HD       LYS  13  10.915   6.710   2.988
   76   1HE   LYS  13          2HE       LYS  13   8.025   7.138   3.730
   77   2HE   LYS  13          1HE       LYS  13   9.380   7.957   4.512
   78   1HZ   LYS  13          2HZ       LYS  13   8.767   8.114   1.603
   79   2HZ   LYS  13          1HZ       LYS  13   8.308   9.280   2.741
   80   3HZ   LYS  13          3HZ       LYS  13   9.951   8.990   2.437
   81    H    LYS  14           H        LYS  14  10.964   1.871   2.123
   82    HA   LYS  14           HA       LYS  14  12.369   0.496  -0.073
   83   1HB   LYS  14          2HB       LYS  14  13.354   1.097   2.705
   84   2HB   LYS  14          1HB       LYS  14  14.154  -0.025   1.618
   85   1HG   LYS  14          2HG       LYS  14  14.481   1.807   0.009
   86   2HG   LYS  14          1HG       LYS  14  13.747   2.920   1.172
   87   1HD   LYS  14          2HD       LYS  14  16.188   1.243   1.743
   88   2HD   LYS  14          1HD       LYS  14  16.244   2.918   1.199
   89   1HE   LYS  14          2HE       LYS  14  15.095   3.654   3.180
   90   2HE   LYS  14          1HE       LYS  14  14.843   1.988   3.695
   91   1HZ   LYS  14          1HZ       LYS  14  17.550   3.118   3.303
   92   2HZ   LYS  14          3HZ       LYS  14  16.732   3.228   4.778
   93   3HZ   LYS  14          2HZ       LYS  14  17.114   1.709   4.137
   94    H    LEU  15           H        LEU  15  10.475   0.222   2.808
   95    HA   LEU  15           HA       LEU  15  10.835  -2.685   2.870
   96   1HB   LEU  15          2HB       LEU  15   9.587  -0.855   4.922
   97   2HB   LEU  15          1HB       LEU  15   9.870  -2.574   5.115
   98    HG   LEU  15           HG       LEU  15  12.048  -0.517   4.763
   99   1HD1  LEU  15          1HD1      LEU  15  10.861  -0.168   6.855
  100   2HD1  LEU  15          3HD1      LEU  15  11.058  -1.874   7.266
  101   3HD1  LEU  15          2HD1      LEU  15  12.471  -0.824   7.146
  102   1HD2  LEU  15          2HD2      LEU  15  12.146  -3.435   5.525
  103   2HD2  LEU  15          1HD2      LEU  15  12.693  -2.736   4.008
  104   3HD2  LEU  15          3HD2      LEU  15  13.521  -2.331   5.506
  105    H    CYS  16           H        CYS  16   9.483  -2.715   0.911
  106    HA   CYS  16           HA       CYS  16   6.625  -2.411   1.503
  107   1HB   CYS  16          2HB       CYS  16   7.943  -2.814  -1.181
  108   2HB   CYS  16          1HB       CYS  16   6.256  -2.430  -0.881
  109    H    ARG  17           H        ARG  17   6.011  -4.267   2.457
  110    HA   ARG  17           HA       ARG  17   6.876  -6.828   1.311
  111   1HB   ARG  17          2HB       ARG  17   5.468  -6.153   3.897
  112   2HB   ARG  17          1HB       ARG  17   5.823  -7.792   3.374
  113   1HG   ARG  17          2HG       ARG  17   8.207  -7.303   3.417
  114   2HG   ARG  17          1HG       ARG  17   7.863  -5.641   3.908
  115   1HD   ARG  17          2HD       ARG  17   6.848  -6.435   5.966
  116   2HD   ARG  17          1HD       ARG  17   7.120  -8.107   5.479
  117    HE   ARG  17           HE       ARG  17   9.606  -7.109   5.416
  118   1HH1  ARG  17          1HH1      ARG  17   7.082  -6.858   7.836
  119   2HH1  ARG  17          2HH1      ARG  17   8.190  -6.827   9.173
  120   1HH2  ARG  17          1HH2      ARG  17  11.075  -7.039   7.167
  121   2HH2  ARG  17          2HH2      ARG  17  10.466  -6.912   8.795
  122    H    GLY  18           H        GLY  18   4.916  -5.032   0.039
  123   1HA   GLY  18          1HA       GLY  18   2.740  -6.980  -0.197
  124   2HA   GLY  18          2HA       GLY  18   3.143  -5.735  -1.375
  125    H    PHE  19           H        PHE  19   2.196  -3.741  -1.223
  126    HA   PHE  19           HA       PHE  19   0.799  -3.057   1.221
  127   1HB   PHE  19          2HB       PHE  19   0.462  -0.819   0.118
  128   2HB   PHE  19          1HB       PHE  19   2.141  -1.271   0.372
  129    HD1  PHE  19          1HD       PHE  19   3.638  -1.440  -1.434
  130    HD2  PHE  19          2HD       PHE  19  -0.533  -1.018  -2.171
  131    HE1  PHE  19          1HE       PHE  19   4.100  -1.027  -3.813
  132    HE2  PHE  19          2HE       PHE  19  -0.075  -0.609  -4.552
  133    HZ   PHE  19           HZ       PHE  19   2.243  -0.615  -5.380
  134    H    LEU  21           H        LEU  21  -2.426  -3.644   0.904
  135    HA   LEU  21           HA       LEU  21  -4.113  -5.713   2.111
  136   1HB   LEU  21          2HB       LEU  21  -2.131  -4.947   3.365
  137   2HB   LEU  21          1HB       LEU  21  -2.779  -3.318   3.373
  138    HG   LEU  21           HG       LEU  21  -4.706  -4.111   4.709
  139   1HD1  LEU  21          1HD1      LEU  21  -4.725  -6.434   3.961
  140   2HD1  LEU  21          3HD1      LEU  21  -3.200  -6.720   4.798
  141   3HD1  LEU  21          2HD1      LEU  21  -4.649  -6.327   5.724
  142   1HD2  LEU  21          3HD2      LEU  21  -2.716  -3.160   5.785
  143   2HD2  LEU  21          2HD2      LEU  21  -3.498  -4.373   6.803
  144   3HD2  LEU  21          1HD2      LEU  21  -2.023  -4.775   5.918
  145    H    CYS  23           H        CYS  23  -6.250  -4.265  -0.675
  146    HA   CYS  23           HA       CYS  23  -7.181  -1.861  -2.061
  147   1HB   CYS  23          2HB       CYS  23  -5.378  -2.474  -3.716
  148   2HB   CYS  23          1HB       CYS  23  -4.803  -2.078  -2.097
  149    H    GLY  24           H        GLY  24  -7.012  -5.374  -2.387
  150   1HA   GLY  24          1HA       GLY  24  -7.792  -6.591  -4.320
  151   2HA   GLY  24          2HA       GLY  24  -8.786  -5.201  -4.739
  152    H    CYS  25           H        CYS  25  -9.361  -5.084  -1.718
  153    HA   CYS  25           HA       CYS  25 -11.032  -7.429  -1.368
  154   1HB   CYS  25          2HB       CYS  25 -11.515  -6.322   0.864
  155   2HB   CYS  25          1HB       CYS  25  -9.854  -6.820   0.576
  156    H    HIS  26           H        HIS  26 -13.065  -7.498  -1.891
  157    HA   HIS  26           HA       HIS  26 -14.596  -4.986  -1.954
  158   1HB   HIS  26          2HB       HIS  26 -14.123  -5.934  -4.237
  159   2HB   HIS  26          1HB       HIS  26 -15.062  -7.351  -3.787
  160    HD1  HIS  26          1HD       HIS  26 -17.025  -7.084  -5.332
  161    HD2  HIS  26          2HD       HIS  26 -16.210  -3.626  -3.154
  162    HE1  HIS  26          1HE       HIS  26 -18.955  -5.527  -5.776
  163    HE2  HIS  26          2HE       HIS  26 -18.424  -3.427  -4.483
  164    H    PHE  27           H        PHE  27 -14.148  -7.787  -0.374
  165    HA   PHE  27           HA       PHE  27 -16.924  -7.827   0.562
  166   1HB   PHE  27          2HB       PHE  27 -16.601 -10.208   1.165
  167   2HB   PHE  27          1HB       PHE  27 -16.436  -9.937  -0.555
  168    HD1  PHE  27          1HD       PHE  27 -14.064  -9.778  -1.504
  169    HD2  PHE  27          2HD       PHE  27 -14.947 -11.293   2.371
  170    HE1  PHE  27          1HE       PHE  27 -11.899 -10.941  -1.461
  171    HE2  PHE  27          2HE       PHE  27 -12.782 -12.457   2.410
  172    HZ   PHE  27           HZ       PHE  27 -11.253 -12.280   0.490
  173    H    GLY  29           H        GLY  29 -14.594  -5.280   2.361
  174   1HA   GLY  29          1HA       GLY  29 -12.091  -5.056   2.418
  175   2HA   GLY  29          2HA       GLY  29 -12.301  -4.706   4.129
  176    H    LYS  30           H        LYS  30 -11.326  -2.676   3.902
  177    HA   LYS  30           HA       LYS  30 -11.196  -0.437   3.547
  178   1HB   LYS  30          2HB       LYS  30 -11.695  -1.106   1.119
  179   2HB   LYS  30          1HB       LYS  30 -13.353  -0.632   1.456
  180   1HG   LYS  30          2HG       LYS  30 -12.715   1.625   1.850
  181   2HG   LYS  30          1HG       LYS  30 -11.000   1.201   1.829
  182   1HD   LYS  30          2HD       LYS  30 -12.916   1.094  -0.494
  183   2HD   LYS  30          1HD       LYS  30 -11.598   2.244  -0.259
  184   1HE   LYS  30          2HE       LYS  30 -11.277  -0.736  -0.585
  185   2HE   LYS  30          1HE       LYS  30 -11.003   0.466  -1.848
  186   1HZ   LYS  30          2HZ       LYS  30  -9.535   0.583   0.709
  187   2HZ   LYS  30          1HZ       LYS  30  -8.999  -0.398  -0.555
  188   3HZ   LYS  30          3HZ       LYS  30  -9.127   1.276  -0.774
  189    H    LYS  31           H        LYS  31 -14.453  -1.787   3.564
  190    HA   LYS  31           HA       LYS  31 -15.053   0.065   5.765
  191   1HB   LYS  31          2HB       LYS  31 -16.471   0.629   3.838
  192   2HB   LYS  31          1HB       LYS  31 -17.005  -1.042   3.731
  193   1HG   LYS  31          2HG       LYS  31 -18.034  -0.844   5.955
  194   2HG   LYS  31          1HG       LYS  31 -17.541   0.848   6.014
  195   1HD   LYS  31          2HD       LYS  31 -18.944   1.376   4.133
  196   2HD   LYS  31          1HD       LYS  31 -19.332  -0.330   3.899
  197   1HE   LYS  31          2HE       LYS  31 -20.421  -0.386   6.088
  198   2HE   LYS  31          1HE       LYS  31 -20.022   1.314   6.330
  199   1HZ   LYS  31          3HZ       LYS  31 -21.733   0.291   4.129
  200   2HZ   LYS  31          2HZ       LYS  31 -22.319   0.952   5.578
  201   3HZ   LYS  31          1HZ       LYS  31 -21.432   1.917   4.506

  No H/Q in entry =         201
  Start of MODEL    9
    1    H    ALA   2           H        ALA   2  -6.188 -23.705   2.406
    2    HA   ALA   2           HA       ALA   2  -7.307 -23.684   4.361
    3   1HB   ALA   2          2HB       ALA   2  -5.286 -22.564   5.186
    4   2HB   ALA   2          3HB       ALA   2  -6.736 -22.038   6.043
    5   3HB   ALA   2          1HB       ALA   2  -6.009 -21.001   4.816
    6    H    ILE   4           H        ILE   4 -11.171 -19.668   3.231
    7    HA   ILE   4           HA       ILE   4 -12.418 -20.000   0.588
    8    HB   ILE   4           HB       ILE   4 -12.796 -17.719   2.541
    9   1HG1  ILE   4          2HG1      ILE   4 -14.625 -20.058   1.952
   10   2HG1  ILE   4          1HG1      ILE   4 -13.675 -19.864   3.420
   11   1HG2  ILE   4          3HG2      ILE   4 -13.195 -17.108   0.212
   12   2HG2  ILE   4          2HG2      ILE   4 -14.316 -18.459   0.042
   13   3HG2  ILE   4          1HG2      ILE   4 -14.701 -17.124   1.125
   14   1HD1  ILE   4          1HD1      ILE   4 -14.930 -17.837   3.955
   15   2HD1  ILE   4          3HD1      ILE   4 -15.889 -18.049   2.489
   16   3HD1  ILE   4          2HD1      ILE   4 -15.985 -19.242   3.792
   17    H    VAL   5           H        VAL   5 -11.856 -18.609  -1.098
   18    HA   VAL   5           HA       VAL   5  -9.281 -17.288  -0.792
   19    HB   VAL   5           HB       VAL   5  -9.400 -16.989  -3.285
   20   1HG1  VAL   5          2HG1      VAL   5  -8.165 -18.829  -2.281
   21   2HG1  VAL   5          1HG1      VAL   5  -9.633 -19.806  -2.231
   22   3HG1  VAL   5          3HG1      VAL   5  -8.936 -19.347  -3.782
   23   1HG2  VAL   5          1HG2      VAL   5 -11.831 -18.766  -3.009
   24   2HG2  VAL   5          3HG2      VAL   5 -11.824 -17.093  -3.575
   25   3HG2  VAL   5          2HG2      VAL   5 -11.031 -18.346  -4.526
   26    H    LYS   6           H        LYS   6  -9.457 -15.330   0.085
   27    HA   LYS   6           HA       LYS   6 -11.114 -13.359  -1.305
   28   1HB   LYS   6          2HB       LYS   6 -10.988 -13.689   1.691
   29   2HB   LYS   6          1HB       LYS   6 -11.694 -12.304   0.870
   30   1HG   LYS   6          2HG       LYS   6 -13.312 -13.839  -0.201
   31   2HG   LYS   6          1HG       LYS   6 -12.655 -15.152   0.770
   32   1HD   LYS   6          2HD       LYS   6 -13.267 -13.951   2.801
   33   2HD   LYS   6          1HD       LYS   6 -13.897 -12.615   1.840
   34   1HE   LYS   6          2HE       LYS   6 -14.932 -15.447   1.888
   35   2HE   LYS   6          1HE       LYS   6 -15.710 -14.035   2.593
   36   1HZ   LYS   6          2HZ       LYS   6 -15.825 -13.089   0.323
   37   2HZ   LYS   6          1HZ       LYS   6 -15.253 -14.560  -0.287
   38   3HZ   LYS   6          3HZ       LYS   6 -16.746 -14.499   0.519
   39    H    ILE   9           H        ILE   9  -5.193 -14.844  -2.293
   40    HA   ILE   9           HA       ILE   9  -4.100 -14.826   0.331
   41    HB   ILE   9           HB       ILE   9  -3.943 -17.053  -1.700
   42   1HG1  ILE   9          2HG1      ILE   9  -6.055 -16.521   0.403
   43   2HG1  ILE   9          1HG1      ILE   9  -6.268 -16.266  -1.324
   44   1HG2  ILE   9          3HG2      ILE   9  -2.434 -17.296   0.217
   45   2HG2  ILE   9          2HG2      ILE   9  -3.804 -17.098   1.309
   46   3HG2  ILE   9          1HG2      ILE   9  -3.722 -18.504   0.252
   47   1HD1  ILE   9          1HD1      ILE   9  -5.913 -18.667  -1.689
   48   2HD1  ILE   9          3HD1      ILE   9  -5.783 -18.898   0.041
   49   3HD1  ILE   9          2HD1      ILE   9  -7.299 -18.334  -0.655
   50    H    LYS  10           H        LYS  10  -2.342 -13.631   0.519
   51    HA   LYS  10           HA       LYS  10   0.112 -14.644  -0.688
   52   1HB   LYS  10          2HB       LYS  10   0.883 -12.389  -1.238
   53   2HB   LYS  10          1HB       LYS  10  -0.608 -12.746  -2.097
   54   1HG   LYS  10          2HG       LYS  10  -1.889 -11.397  -0.618
   55   2HG   LYS  10          1HG       LYS  10  -0.520 -11.201   0.470
   56   1HD   LYS  10          2HD       LYS  10   0.685 -10.003  -1.327
   57   2HD   LYS  10          1HD       LYS  10  -0.768 -10.117  -2.322
   58   1HE   LYS  10          2HE       LYS  10  -0.652  -7.948  -1.243
   59   2HE   LYS  10          1HE       LYS  10  -2.020  -8.871  -0.628
   60   1HZ   LYS  10          1HZ       LYS  10  -0.653  -9.476   1.307
   61   2HZ   LYS  10          3HZ       LYS  10   0.606  -8.504   0.720
   62   3HZ   LYS  10          2HZ       LYS  10  -0.864  -7.802   1.178
   63    H    ALA  11           H        ALA  11   2.008 -13.542   0.409
   64    HA   ALA  11           HA       ALA  11   1.690 -13.632   3.246
   65   1HB   ALA  11          1HB       ALA  11   4.067 -13.100   3.330
   66   2HB   ALA  11          3HB       ALA  11   3.754 -14.375   2.155
   67   3HB   ALA  11          2HB       ALA  11   4.057 -12.726   1.606
   68    H    LYS  13           H        LYS  13   3.206 -10.959   6.107
   69    HA   LYS  13           HA       LYS  13   2.075  -9.591   8.449
   70   1HB   LYS  13          2HB       LYS  13   2.844 -12.514   8.261
   71   2HB   LYS  13          1HB       LYS  13   2.465 -11.682   9.767
   72   1HG   LYS  13          2HG       LYS  13   0.198 -11.249   8.956
   73   2HG   LYS  13          1HG       LYS  13   0.583 -12.088   7.445
   74   1HD   LYS  13          2HD       LYS  13   0.713 -13.341  10.191
   75   2HD   LYS  13          1HD       LYS  13  -0.656 -13.486   9.086
   76   1HE   LYS  13          2HE       LYS  13   0.747 -14.584   7.447
   77   2HE   LYS  13          1HE       LYS  13   2.159 -14.376   8.477
   78   1HZ   LYS  13          2HZ       LYS  13  -0.249 -15.964   9.181
   79   2HZ   LYS  13          1HZ       LYS  13   1.215 -16.615   8.625
   80   3HZ   LYS  13          3HZ       LYS  13   1.151 -15.808  10.117
   81    H    LYS  14           H        LYS  14   4.768 -11.543   7.235
   82    HA   LYS  14           HA       LYS  14   6.589 -10.306   9.157
   83   1HB   LYS  14          2HB       LYS  14   6.635 -12.755   8.897
   84   2HB   LYS  14          1HB       LYS  14   7.003 -12.567   7.189
   85   1HG   LYS  14          2HG       LYS  14   9.000 -13.126   8.423
   86   2HG   LYS  14          1HG       LYS  14   9.125 -11.490   7.774
   87   1HD   LYS  14          2HD       LYS  14   8.602 -10.547   9.929
   88   2HD   LYS  14          1HD       LYS  14   8.298 -12.153  10.599
   89   1HE   LYS  14          2HE       LYS  14  10.944 -11.197   9.514
   90   2HE   LYS  14          1HE       LYS  14  10.510 -11.250  11.222
   91   1HZ   LYS  14          1HZ       LYS  14  10.644 -13.598   9.401
   92   2HZ   LYS  14          3HZ       LYS  14  11.801 -13.184  10.576
   93   3HZ   LYS  14          2HZ       LYS  14  10.240 -13.637  11.050
   94    H    LEU  15           H        LEU  15   7.695  -8.574   8.602
   95    HA   LEU  15           HA       LEU  15   8.816  -6.996   7.413
   96   1HB   LEU  15          2HB       LEU  15   9.285  -9.277   5.490
   97   2HB   LEU  15          1HB       LEU  15  10.121  -7.734   5.446
   98    HG   LEU  15           HG       LEU  15  10.264  -9.738   7.701
   99   1HD1  LEU  15          1HD1      LEU  15  12.272  -9.000   5.583
  100   2HD1  LEU  15          3HD1      LEU  15  12.567 -10.076   6.952
  101   3HD1  LEU  15          2HD1      LEU  15  11.398 -10.525   5.707
  102   1HD2  LEU  15          3HD2      LEU  15  11.745  -7.145   7.275
  103   2HD2  LEU  15          2HD2      LEU  15  10.514  -7.448   8.498
  104   3HD2  LEU  15          1HD2      LEU  15  12.053  -8.306   8.568
  105    H    CYS  16           H        CYS  16   5.981  -7.392   6.990
  106    HA   CYS  16           HA       CYS  16   5.387  -7.075   4.216
  107   1HB   CYS  16          2HB       CYS  16   3.914  -7.930   6.234
  108   2HB   CYS  16          1HB       CYS  16   3.495  -6.230   6.369
  109    H    ARG  17           H        ARG  17   4.995  -5.224   3.072
  110    HA   ARG  17           HA       ARG  17   5.866  -2.748   4.344
  111   1HB   ARG  17          2HB       ARG  17   5.310  -3.362   1.436
  112   2HB   ARG  17          1HB       ARG  17   5.966  -1.850   2.048
  113   1HG   ARG  17          2HG       ARG  17   7.306  -4.531   2.351
  114   2HG   ARG  17          1HG       ARG  17   7.669  -3.362   1.079
  115   1HD   ARG  17          2HD       ARG  17   8.504  -1.788   2.621
  116   2HD   ARG  17          1HD       ARG  17   7.821  -2.660   3.994
  117    HE   ARG  17           HE       ARG  17   9.490  -4.394   3.591
  118   1HH1  ARG  17          1HH1      ARG  17  10.048  -1.264   2.108
  119   2HH1  ARG  17          2HH1      ARG  17  11.775  -1.473   2.060
  120   1HH2  ARG  17          1HH2      ARG  17  11.741  -4.646   3.544
  121   2HH2  ARG  17          2HH2      ARG  17  12.736  -3.396   2.845
  122    H    GLY  18           H        GLY  18   3.140  -4.293   4.194
  123   1HA   GLY  18          1HA       GLY  18   1.523  -2.038   4.750
  124   2HA   GLY  18          2HA       GLY  18   0.960  -3.691   4.575
  125    H    PHE  19           H        PHE  19   2.270  -3.650   1.802
  126    HA   PHE  19           HA       PHE  19   0.325  -1.913   0.464
  127   1HB   PHE  19          2HB       PHE  19   2.765  -1.611  -0.069
  128   2HB   PHE  19          1HB       PHE  19   2.756  -3.237  -0.752
  129    HD1  PHE  19          1HD       PHE  19   2.035  -3.623  -2.946
  130    HD2  PHE  19          2HD       PHE  19   1.239   0.118  -1.088
  131    HE1  PHE  19          1HE       PHE  19   1.267  -2.719  -5.108
  132    HE2  PHE  19          2HE       PHE  19   0.470   1.030  -3.240
  133    HZ   PHE  19           HZ       PHE  19   0.482  -0.388  -5.246
  134    H    LEU  21           H        LEU  21  -2.419  -3.508   0.919
  135    HA   LEU  21           HA       LEU  21  -3.949  -5.722   2.080
  136   1HB   LEU  21          2HB       LEU  21  -2.137  -4.782   3.447
  137   2HB   LEU  21          1HB       LEU  21  -2.881  -3.197   3.350
  138    HG   LEU  21           HG       LEU  21  -4.847  -4.073   4.578
  139   1HD1  LEU  21          2HD1      LEU  21  -4.656  -6.419   3.946
  140   2HD1  LEU  21          1HD1      LEU  21  -3.170  -6.560   4.881
  141   3HD1  LEU  21          3HD1      LEU  21  -4.699  -6.233   5.698
  142   1HD2  LEU  21          3HD2      LEU  21  -2.178  -4.421   5.936
  143   2HD2  LEU  21          2HD2      LEU  21  -3.097  -2.923   5.781
  144   3HD2  LEU  21          1HD2      LEU  21  -3.725  -4.249   6.764
  145    H    CYS  23           H        CYS  23  -6.112  -4.507  -0.698
  146    HA   CYS  23           HA       CYS  23  -6.974  -2.078  -2.081
  147   1HB   CYS  23          2HB       CYS  23  -5.221  -2.905  -3.765
  148   2HB   CYS  23          1HB       CYS  23  -4.639  -2.337  -2.205
  149    H    GLY  24           H        GLY  24  -6.923  -5.579  -2.342
  150   1HA   GLY  24          1HA       GLY  24  -7.884  -6.832  -4.160
  151   2HA   GLY  24          2HA       GLY  24  -8.850  -5.421  -4.568
  152    H    CYS  25           H        CYS  25  -9.992  -4.723  -2.216
  153    HA   CYS  25           HA       CYS  25 -11.680  -7.057  -1.651
  154   1HB   CYS  25          2HB       CYS  25 -11.895  -6.158   0.706
  155   2HB   CYS  25          1HB       CYS  25 -10.363  -6.914   0.299
  156    H    HIS  26           H        HIS  26 -13.770  -6.313  -0.515
  157    HA   HIS  26           HA       HIS  26 -15.769  -5.289  -0.773
  158   1HB   HIS  26          2HB       HIS  26 -14.012  -2.855  -1.125
  159   2HB   HIS  26          1HB       HIS  26 -15.769  -2.777  -1.080
  160    HD1  HIS  26          1HD       HIS  26 -16.842  -2.687   1.163
  161    HD2  HIS  26          2HD       HIS  26 -12.834  -3.795   1.359
  162    HE1  HIS  26          1HE       HIS  26 -16.258  -2.707   3.614
  163    HE2  HIS  26          2HE       HIS  26 -13.804  -3.279   3.708
  164    H    PHE  27           H        PHE  27 -15.937  -6.644  -2.646
  165    HA   PHE  27           HA       PHE  27 -16.592  -7.061  -4.759
  166   1HB   PHE  27          2HB       PHE  27 -16.584  -4.053  -5.041
  167   2HB   PHE  27          1HB       PHE  27 -17.115  -5.158  -6.312
  168    HD1  PHE  27          1HD       PHE  27 -17.969  -3.552  -3.177
  169    HD2  PHE  27          2HD       PHE  27 -19.115  -6.559  -5.964
  170    HE1  PHE  27          1HE       PHE  27 -20.218  -3.611  -2.184
  171    HE2  PHE  27          2HE       PHE  27 -21.367  -6.628  -4.970
  172    HZ   PHE  27           HZ       PHE  27 -21.921  -5.152  -3.073
  173    H    GLY  29           H        GLY  29 -14.558  -9.533  -7.355
  174   1HA   GLY  29          1HA       GLY  29 -13.831 -11.522  -6.421
  175   2HA   GLY  29          2HA       GLY  29 -12.460 -10.668  -5.731
  176    H    LYS  30           H        LYS  30 -13.204 -10.472  -9.127
  177    HA   LYS  30           HA       LYS  30 -10.629 -11.716  -9.667
  178   1HB   LYS  30          2HB       LYS  30 -11.423 -13.192 -11.350
  179   2HB   LYS  30          1HB       LYS  30 -12.393 -13.479  -9.918
  180   1HG   LYS  30          2HG       LYS  30 -13.298 -11.760 -12.216
  181   2HG   LYS  30          1HG       LYS  30 -13.623 -13.487 -12.097
  182   1HD   LYS  30          2HD       LYS  30 -14.704 -13.009  -9.866
  183   2HD   LYS  30          1HD       LYS  30 -14.588 -11.296 -10.275
  184   1HE   LYS  30          2HE       LYS  30 -16.053 -13.417 -11.844
  185   2HE   LYS  30          1HE       LYS  30 -16.786 -12.162 -10.841
  186   1HZ   LYS  30          1HZ       LYS  30 -15.164 -11.693 -13.292
  187   2HZ   LYS  30          3HZ       LYS  30 -16.852 -11.587 -13.187
  188   3HZ   LYS  30          2HZ       LYS  30 -15.876 -10.491 -12.334
  189    H    LYS  31           H        LYS  31  -9.587 -10.958 -11.446
  190    HA   LYS  31           HA       LYS  31 -10.857  -9.126 -13.266
  191   1HB   LYS  31          2HB       LYS  31  -9.210  -7.278 -12.703
  192   2HB   LYS  31          1HB       LYS  31 -10.502  -7.533 -11.537
  193   1HG   LYS  31          2HG       LYS  31  -9.062  -8.536  -9.982
  194   2HG   LYS  31          1HG       LYS  31  -7.796  -8.780 -11.185
  195   1HD   LYS  31          2HD       LYS  31  -8.735  -6.126 -10.108
  196   2HD   LYS  31          1HD       LYS  31  -7.227  -6.946  -9.690
  197   1HE   LYS  31          2HE       LYS  31  -8.030  -5.848 -12.383
  198   2HE   LYS  31          1HE       LYS  31  -6.763  -5.237 -11.317
  199   1HZ   LYS  31          1HZ       LYS  31  -5.549  -7.308 -11.636
  200   2HZ   LYS  31          3HZ       LYS  31  -6.767  -7.895 -12.663
  201   3HZ   LYS  31          2HZ       LYS  31  -5.836  -6.549 -13.118

  No H/Q in entry =         201
  Start of MODEL   10
    1    H    ALA   2           H        ALA   2  11.786  21.035   7.559
    2    HA   ALA   2           HA       ALA   2   9.967  18.865   8.384
    3   1HB   ALA   2          2HB       ALA   2   9.897  20.499   5.842
    4   2HB   ALA   2          3HB       ALA   2   8.847  20.726   7.242
    5   3HB   ALA   2          1HB       ALA   2   8.754  19.238   6.301
    6    H    ILE   4           H        ILE   4  10.203  14.473   7.062
    7    HA   ILE   4           HA       ILE   4  12.616  13.322   8.221
    8    HB   ILE   4           HB       ILE   4  10.962  11.896   9.505
    9   1HG1  ILE   4          2HG1      ILE   4   8.977  13.889   8.374
   10   2HG1  ILE   4          1HG1      ILE   4   9.055  12.183   7.950
   11   1HG2  ILE   4          2HG2      ILE   4  10.832  14.889   9.814
   12   2HG2  ILE   4          1HG2      ILE   4  10.392  13.714  11.054
   13   3HG2  ILE   4          3HG2      ILE   4  12.059  13.816  10.485
   14   1HD1  ILE   4          2HD1      ILE   4   8.450  13.288  10.687
   15   2HD1  ILE   4          1HD1      ILE   4   7.276  12.627   9.548
   16   3HD1  ILE   4          3HD1      ILE   4   8.512  11.581  10.241
   17    H    VAL   5           H        VAL   5  13.637  11.875   7.022
   18    HA   VAL   5           HA       VAL   5  12.007   9.951   5.506
   19    HB   VAL   5           HB       VAL   5  13.224  11.280   3.943
   20   1HG1  VAL   5          1HG1      VAL   5  15.719  10.636   5.503
   21   2HG1  VAL   5          3HG1      VAL   5  15.662  11.496   3.961
   22   3HG1  VAL   5          2HG1      VAL   5  14.922  12.209   5.398
   23   1HG2  VAL   5          1HG2      VAL   5  14.606   8.626   4.295
   24   2HG2  VAL   5          3HG2      VAL   5  13.114   8.920   3.402
   25   3HG2  VAL   5          2HG2      VAL   5  14.632   9.606   2.825
   26    H    LYS   6           H        LYS   6  11.860   8.185   6.700
   27    HA   LYS   6           HA       LYS   6  14.233   7.247   8.157
   28   1HB   LYS   6          2HB       LYS   6  11.958   7.767   9.299
   29   2HB   LYS   6          1HB       LYS   6  11.428   6.252   8.586
   30   1HG   LYS   6          2HG       LYS   6  12.117   5.891  10.862
   31   2HG   LYS   6          1HG       LYS   6  13.242   5.087   9.768
   32   1HD   LYS   6          2HD       LYS   6  14.876   6.795  10.064
   33   2HD   LYS   6          1HD       LYS   6  13.730   7.831  10.912
   34   1HE   LYS   6          2HE       LYS   6  15.283   6.789  12.462
   35   2HE   LYS   6          1HE       LYS   6  13.635   6.230  12.745
   36   1HZ   LYS   6          1HZ       LYS   6  15.710   4.736  11.231
   37   2HZ   LYS   6          3HZ       LYS   6  15.255   4.426  12.835
   38   3HZ   LYS   6          2HZ       LYS   6  14.145   4.192  11.579
   39    H    ILE   9           H        ILE   9  15.659   2.156   3.171
   40    HA   ILE   9           HA       ILE   9  15.419   1.652   0.341
   41    HB   ILE   9           HB       ILE   9  15.525  -0.345   2.610
   42   1HG1  ILE   9          2HG1      ILE   9  17.767   0.720   0.880
   43   2HG1  ILE   9          1HG1      ILE   9  17.493   1.156   2.563
   44   1HG2  ILE   9          2HG2      ILE   9  16.023  -0.658  -0.342
   45   2HG2  ILE   9          1HG2      ILE   9  16.286  -1.908   0.866
   46   3HG2  ILE   9          3HG2      ILE   9  14.658  -1.308   0.558
   47   1HD1  ILE   9          3HD1      ILE   9  18.162  -1.596   1.540
   48   2HD1  ILE   9          2HD1      ILE   9  19.267  -0.486   2.345
   49   3HD1  ILE   9          1HD1      ILE   9  17.892  -1.155   3.223
   50    H    LYS  10           H        LYS  10  13.388   2.135  -0.344
   51    HA   LYS  10           HA       LYS  10  11.102   0.948   1.035
   52   1HB   LYS  10          2HB       LYS  10  11.017   3.335   0.344
   53   2HB   LYS  10          1HB       LYS  10  11.160   2.813  -1.322
   54   1HG   LYS  10          2HG       LYS  10   9.042   1.582  -1.105
   55   2HG   LYS  10          1HG       LYS  10   8.889   2.183   0.538
   56   1HD   LYS  10          2HD       LYS  10   8.832   4.469  -0.268
   57   2HD   LYS  10          1HD       LYS  10   9.070   3.912  -1.917
   58   1HE   LYS  10          2HE       LYS  10   6.739   4.421  -1.587
   59   2HE   LYS  10          1HE       LYS  10   6.929   2.678  -1.776
   60   1HZ   LYS  10          2HZ       LYS  10   6.706   4.053   0.841
   61   2HZ   LYS  10          1HZ       LYS  10   5.400   3.341   0.027
   62   3HZ   LYS  10          3HZ       LYS  10   6.691   2.380   0.562
   63    H    ALA  11           H        ALA  11  11.300  -1.192   0.504
   64    HA   ALA  11           HA       ALA  11  11.460  -1.988  -2.277
   65   1HB   ALA  11          2HB       ALA  11  12.674  -3.305  -0.635
   66   2HB   ALA  11          1HB       ALA  11  11.176  -3.645   0.221
   67   3HB   ALA  11          3HB       ALA  11  11.421  -4.284  -1.393
   68    H    LYS  13           H        LYS  13   8.262  -2.236  -5.401
   69    HA   LYS  13           HA       LYS  13   7.436   0.337  -6.369
   70   1HB   LYS  13          2HB       LYS  13   8.166  -2.170  -7.912
   71   2HB   LYS  13          1HB       LYS  13   8.032  -0.552  -8.586
   72   1HG   LYS  13          2HG       LYS  13  10.039  -1.464  -6.536
   73   2HG   LYS  13          1HG       LYS  13  10.355  -1.148  -8.244
   74   1HD   LYS  13          2HD       LYS  13   9.815   1.191  -7.948
   75   2HD   LYS  13          1HD       LYS  13   9.348   0.900  -6.267
   76   1HE   LYS  13          2HE       LYS  13  11.658   0.220  -5.771
   77   2HE   LYS  13          1HE       LYS  13  12.108   0.560  -7.438
   78   1HZ   LYS  13          2HZ       LYS  13  11.054   2.544  -5.498
   79   2HZ   LYS  13          1HZ       LYS  13  12.675   2.393  -5.973
   80   3HZ   LYS  13          3HZ       LYS  13  11.501   2.868  -7.098
   81    H    LYS  14           H        LYS  14   6.272  -2.990  -6.812
   82    HA   LYS  14           HA       LYS  14   3.544  -2.294  -6.676
   83   1HB   LYS  14          2HB       LYS  14   4.252  -1.420  -9.000
   84   2HB   LYS  14          1HB       LYS  14   4.395  -3.111  -9.450
   85   1HG   LYS  14          2HG       LYS  14   2.258  -2.309 -10.149
   86   2HG   LYS  14          1HG       LYS  14   2.024  -3.439  -8.818
   87   1HD   LYS  14          2HD       LYS  14   0.584  -1.680  -8.299
   88   2HD   LYS  14          1HD       LYS  14   2.009  -1.340  -7.317
   89   1HE   LYS  14          2HE       LYS  14   1.454  -0.091 -10.006
   90   2HE   LYS  14          1HE       LYS  14   1.044   0.652  -8.467
   91   1HZ   LYS  14          2HZ       LYS  14   3.425   0.589  -7.894
   92   2HZ   LYS  14          1HZ       LYS  14   3.771  -0.011  -9.437
   93   3HZ   LYS  14          3HZ       LYS  14   3.108   1.538  -9.257
   94    H    LEU  15           H        LEU  15   2.187  -4.192  -6.812
   95    HA   LEU  15           HA       LEU  15   1.679  -6.397  -6.561
   96   1HB   LEU  15          2HB       LEU  15   4.286  -6.857  -8.028
   97   2HB   LEU  15          1HB       LEU  15   3.055  -8.070  -7.740
   98    HG   LEU  15           HG       LEU  15   2.687  -5.589  -9.423
   99   1HD1  LEU  15          3HD1      LEU  15   3.100  -8.469 -10.207
  100   2HD1  LEU  15          2HD1      LEU  15   2.639  -7.171 -11.310
  101   3HD1  LEU  15          1HD1      LEU  15   4.204  -7.122 -10.497
  102   1HD2  LEU  15          2HD2      LEU  15   0.879  -7.959  -8.962
  103   2HD2  LEU  15          1HD2      LEU  15   0.609  -6.314  -8.391
  104   3HD2  LEU  15          3HD2      LEU  15   0.594  -6.657 -10.117
  105    H    CYS  16           H        CYS  16   3.200  -4.941  -4.585
  106    HA   CYS  16           HA       CYS  16   5.302  -6.594  -3.565
  107   1HB   CYS  16          2HB       CYS  16   3.884  -4.347  -2.147
  108   2HB   CYS  16          1HB       CYS  16   5.503  -4.961  -1.840
  109    H    ARG  17           H        ARG  17   5.325  -7.418  -1.350
  110    HA   ARG  17           HA       ARG  17   2.754  -8.599  -0.618
  111   1HB   ARG  17          2HB       ARG  17   5.584  -9.447   0.036
  112   2HB   ARG  17          1HB       ARG  17   4.141 -10.236   0.655
  113   1HG   ARG  17          2HG       ARG  17   3.525 -11.022  -1.468
  114   2HG   ARG  17          1HG       ARG  17   4.671  -9.951  -2.274
  115   1HD   ARG  17          2HD       ARG  17   5.454 -12.196  -0.424
  116   2HD   ARG  17          1HD       ARG  17   5.404 -12.328  -2.178
  117    HE   ARG  17           HE       ARG  17   7.142 -10.376  -0.800
  118   1HH1  ARG  17          1HH1      ARG  17   6.655 -12.954  -3.112
  119   2HH1  ARG  17          2HH1      ARG  17   8.235 -12.814  -3.816
  120   1HH2  ARG  17          1HH2      ARG  17   9.240 -10.180  -1.704
  121   2HH2  ARG  17          2HH2      ARG  17   9.726 -11.256  -2.974
  122    H    GLY  18           H        GLY  18   1.782  -7.890   1.116
  123   1HA   GLY  18          1HA       GLY  18   3.344  -6.419   3.142
  124   2HA   GLY  18          2HA       GLY  18   1.756  -7.137   3.405
  125    H    PHE  19           H        PHE  19   2.574  -5.400   0.530
  126    HA   PHE  19           HA       PHE  19   0.960  -3.099   1.370
  127   1HB   PHE  19          2HB       PHE  19   3.219  -2.633   0.455
  128   2HB   PHE  19          1HB       PHE  19   2.764  -3.440  -1.033
  129    HD1  PHE  19          1HD       PHE  19   1.747  -0.617   1.164
  130    HD2  PHE  19          2HD       PHE  19   1.889  -2.207  -2.778
  131    HE1  PHE  19          1HE       PHE  19   0.883   1.509   0.273
  132    HE2  PHE  19          2HE       PHE  19   1.027  -0.081  -3.665
  133    HZ   PHE  19           HZ       PHE  19   0.541   1.786  -2.133
  134    H    LEU  21           H        LEU  21  -2.267  -3.692   1.598
  135    HA   LEU  21           HA       LEU  21  -3.882  -5.975   2.132
  136   1HB   LEU  21          2HB       LEU  21  -4.039  -5.079   4.435
  137   2HB   LEU  21          1HB       LEU  21  -2.394  -5.246   3.854
  138    HG   LEU  21           HG       LEU  21  -3.783  -2.581   3.724
  139   1HD1  LEU  21          2HD1      LEU  21  -2.322  -3.727   6.098
  140   2HD1  LEU  21          1HD1      LEU  21  -2.836  -2.049   5.918
  141   3HD1  LEU  21          3HD1      LEU  21  -4.040  -3.333   6.020
  142   1HD2  LEU  21          3HD2      LEU  21  -1.653  -2.856   2.535
  143   2HD2  LEU  21          2HD2      LEU  21  -1.498  -1.742   3.895
  144   3HD2  LEU  21          1HD2      LEU  21  -0.891  -3.392   4.029
  145    H    CYS  23           H        CYS  23  -5.421  -4.632  -0.976
  146    HA   CYS  23           HA       CYS  23  -6.028  -2.536  -2.756
  147   1HB   CYS  23          2HB       CYS  23  -4.411  -5.026  -2.876
  148   2HB   CYS  23          1HB       CYS  23  -4.906  -4.344  -4.415
  149    H    GLY  24           H        GLY  24  -7.130  -5.864  -2.504
  150   1HA   GLY  24          1HA       GLY  24  -8.898  -6.922  -3.584
  151   2HA   GLY  24          2HA       GLY  24  -9.059  -5.526  -4.648
  152    H    CYS  25           H        CYS  25  -9.864  -6.883  -1.522
  153    HA   CYS  25           HA       CYS  25 -11.593  -6.530  -0.108
  154   1HB   CYS  25          2HB       CYS  25 -10.475  -3.782  -0.473
  155   2HB   CYS  25          1HB       CYS  25 -11.874  -4.057   0.546
  156    H    HIS  26           H        HIS  26 -13.123  -7.273  -1.594
  157    HA   HIS  26           HA       HIS  26 -15.260  -5.378  -1.954
  158   1HB   HIS  26          2HB       HIS  26 -13.804  -6.513  -4.305
  159   2HB   HIS  26          1HB       HIS  26 -15.550  -6.321  -4.412
  160    HD1  HIS  26          1HD       HIS  26 -12.529  -4.555  -5.127
  161    HD2  HIS  26          2HD       HIS  26 -16.289  -3.473  -3.698
  162    HE1  HIS  26          1HE       HIS  26 -12.723  -2.081  -5.527
  163    HE2  HIS  26          2HE       HIS  26 -15.011  -1.444  -4.688
  164    H    PHE  27           H        PHE  27 -16.098  -6.789  -0.360
  165    HA   PHE  27           HA       PHE  27 -16.698  -9.515  -1.076
  166   1HB   PHE  27          2HB       PHE  27 -17.927  -9.559   1.096
  167   2HB   PHE  27          1HB       PHE  27 -16.258  -9.030   1.260
  168    HD1  PHE  27          1HD       PHE  27 -19.760  -8.049   1.483
  169    HD2  PHE  27          2HD       PHE  27 -15.731  -6.721   1.834
  170    HE1  PHE  27          1HE       PHE  27 -20.533  -6.033   2.659
  171    HE2  PHE  27          2HE       PHE  27 -16.497  -4.702   3.019
  172    HZ   PHE  27           HZ       PHE  27 -18.873  -4.327   3.400
  173    H    GLY  29           H        GLY  29 -20.887  -6.780  -2.090
  174   1HA   GLY  29          1HA       GLY  29 -22.178  -5.062  -1.284
  175   2HA   GLY  29          2HA       GLY  29 -22.416  -6.029   0.161
  176    H    LYS  30           H        LYS  30 -24.210  -7.339   0.339
  177    HA   LYS  30           HA       LYS  30 -26.232  -7.097  -1.781
  178   1HB   LYS  30          2HB       LYS  30 -25.345  -9.389  -1.098
  179   2HB   LYS  30          1HB       LYS  30 -26.167  -9.148   0.426
  180   1HG   LYS  30          2HG       LYS  30 -28.303  -9.012  -0.706
  181   2HG   LYS  30          1HG       LYS  30 -27.497  -9.182  -2.266
  182   1HD   LYS  30          2HD       LYS  30 -26.636 -11.387  -1.535
  183   2HD   LYS  30          1HD       LYS  30 -27.563 -11.217  -0.041
  184   1HE   LYS  30          2HE       LYS  30 -28.750 -12.599  -1.657
  185   2HE   LYS  30          1HE       LYS  30 -29.633 -11.107  -1.327
  186   1HZ   LYS  30          2HZ       LYS  30 -27.861 -11.507  -3.677
  187   2HZ   LYS  30          1HZ       LYS  30 -29.545 -11.701  -3.710
  188   3HZ   LYS  30          3HZ       LYS  30 -28.871 -10.184  -3.383
  189    H    LYS  31           H        LYS  31 -25.325  -5.812   1.045
  190    HA   LYS  31           HA       LYS  31 -27.944  -4.740   1.611
  191   1HB   LYS  31          2HB       LYS  31 -27.980  -6.802   2.927
  192   2HB   LYS  31          1HB       LYS  31 -26.445  -6.377   3.668
  193   1HG   LYS  31          2HG       LYS  31 -27.465  -4.496   4.796
  194   2HG   LYS  31          1HG       LYS  31 -28.997  -4.817   3.980
  195   1HD   LYS  31          2HD       LYS  31 -28.940  -5.689   6.296
  196   2HD   LYS  31          1HD       LYS  31 -29.199  -6.948   5.087
  197   1HE   LYS  31          2HE       LYS  31 -26.736  -7.410   5.176
  198   2HE   LYS  31          1HE       LYS  31 -26.638  -6.305   6.537
  199   1HZ   LYS  31          1HZ       LYS  31 -28.331  -8.746   6.455
  200   2HZ   LYS  31          3HZ       LYS  31 -26.813  -8.643   7.201
  201   3HZ   LYS  31          2HZ       LYS  31 -28.106  -7.718   7.786

  No H/Q in entry =         201
  Start of MODEL   11
    1    H    ALA   2           H        ALA   2  33.328  -9.856   6.185
    2    HA   ALA   2           HA       ALA   2  35.265 -11.415   4.793
    3   1HB   ALA   2          1HB       ALA   2  33.779 -13.200   4.028
    4   2HB   ALA   2          2HB       ALA   2  32.498 -12.599   5.079
    5   3HB   ALA   2          3HB       ALA   2  33.978 -13.256   5.780
    6    H    ILE   4           H        ILE   4  32.541 -12.116   0.123
    7    HA   ILE   4           HA       ILE   4  29.777 -11.123   0.386
    8    HB   ILE   4           HB       ILE   4  30.860 -12.983  -1.731
    9   1HG1  ILE   4          2HG1      ILE   4  31.707 -10.691  -1.999
   10   2HG1  ILE   4          1HG1      ILE   4  30.564 -11.098  -3.269
   11   1HG2  ILE   4          3HG2      ILE   4  28.495 -13.372  -1.194
   12   2HG2  ILE   4          2HG2      ILE   4  28.155 -11.666  -1.482
   13   3HG2  ILE   4          1HG2      ILE   4  28.692 -12.693  -2.809
   14   1HD1  ILE   4          3HD1      ILE   4  28.826  -9.842  -2.108
   15   2HD1  ILE   4          2HD1      ILE   4  29.980  -9.424  -0.837
   16   3HD1  ILE   4          1HD1      ILE   4  30.222  -8.833  -2.488
   17    H    VAL   5           H        VAL   5  29.583 -12.099   2.444
   18    HA   VAL   5           HA       VAL   5  29.430 -15.028   2.420
   19    HB   VAL   5           HB       VAL   5  30.709 -14.222   4.281
   20   1HG1  VAL   5          1HG1      VAL   5  29.911 -11.924   4.359
   21   2HG1  VAL   5          3HG1      VAL   5  28.355 -12.469   4.981
   22   3HG1  VAL   5          2HG1      VAL   5  29.815 -12.669   5.956
   23   1HG2  VAL   5          2HG2      VAL   5  27.946 -15.021   5.196
   24   2HG2  VAL   5          1HG2      VAL   5  29.269 -16.107   4.776
   25   3HG2  VAL   5          3HG2      VAL   5  29.400 -15.063   6.190
   26    H    LYS   6           H        LYS   6  27.519 -15.863   1.952
   27    HA   LYS   6           HA       LYS   6  25.309 -16.051   1.463
   28   1HB   LYS   6          2HB       LYS   6  25.007 -14.108   3.767
   29   2HB   LYS   6          1HB       LYS   6  23.660 -14.900   2.968
   30   1HG   LYS   6          2HG       LYS   6  24.571 -17.083   3.661
   31   2HG   LYS   6          1HG       LYS   6  25.857 -16.236   4.529
   32   1HD   LYS   6          2HD       LYS   6  24.186 -15.105   5.914
   33   2HD   LYS   6          1HD       LYS   6  22.893 -15.929   5.044
   34   1HE   LYS   6          2HE       LYS   6  23.276 -17.055   7.129
   35   2HE   LYS   6          1HE       LYS   6  23.810 -18.093   5.809
   36   1HZ   LYS   6          1HZ       LYS   6  25.631 -16.366   7.399
   37   2HZ   LYS   6          3HZ       LYS   6  25.348 -18.002   7.733
   38   3HZ   LYS   6          2HZ       LYS   6  26.070 -17.555   6.267
   39    H    ILE   9           H        ILE   9  21.165 -10.232   1.088
   40    HA   ILE   9           HA       ILE   9  20.763  -7.360   0.716
   41    HB   ILE   9           HB       ILE   9  19.402  -9.668  -0.683
   42   1HG1  ILE   9          2HG1      ILE   9  21.785  -9.584  -1.226
   43   2HG1  ILE   9          1HG1      ILE   9  20.815  -9.092  -2.610
   44   1HG2  ILE   9          1HG2      ILE   9  19.367  -6.709  -1.258
   45   2HG2  ILE   9          3HG2      ILE   9  18.657  -7.954  -2.282
   46   3HG2  ILE   9          2HG2      ILE   9  18.021  -7.680  -0.663
   47   1HD1  ILE   9          1HD1      ILE   9  21.304  -6.747  -2.102
   48   2HD1  ILE   9          3HD1      ILE   9  22.293  -7.260  -0.733
   49   3HD1  ILE   9          2HD1      ILE   9  22.769  -7.689  -2.379
   50    H    LYS  10           H        LYS  10  19.757  -6.690   2.558
   51    HA   LYS  10           HA       LYS  10  17.489  -8.172   3.577
   52   1HB   LYS  10          2HB       LYS  10  18.768  -5.595   4.495
   53   2HB   LYS  10          1HB       LYS  10  17.385  -6.347   5.282
   54   1HG   LYS  10          2HG       LYS  10  18.759  -8.368   5.683
   55   2HG   LYS  10          1HG       LYS  10  20.146  -7.523   4.990
   56   1HD   LYS  10          2HD       LYS  10  18.569  -6.536   7.362
   57   2HD   LYS  10          1HD       LYS  10  20.046  -7.494   7.485
   58   1HE   LYS  10          2HE       LYS  10  21.291  -5.758   6.335
   59   2HE   LYS  10          1HE       LYS  10  19.814  -4.820   6.110
   60   1HZ   LYS  10          2HZ       LYS  10  20.918  -5.554   8.767
   61   2HZ   LYS  10          1HZ       LYS  10  21.219  -4.072   7.986
   62   3HZ   LYS  10          3HZ       LYS  10  19.636  -4.491   8.443
   63    H    ALA  11           H        ALA  11  15.935  -8.076   2.056
   64    HA   ALA  11           HA       ALA  11  15.233  -5.536   0.834
   65   1HB   ALA  11          2HB       ALA  11  14.061  -8.281   0.398
   66   2HB   ALA  11          1HB       ALA  11  13.741  -6.844  -0.568
   67   3HB   ALA  11          3HB       ALA  11  15.356  -7.554  -0.552
   68    H    LYS  13           H        LYS  13  12.939  -3.068   1.110
   69    HA   LYS  13           HA       LYS  13  12.781  -0.987   3.105
   70   1HB   LYS  13          2HB       LYS  13  13.756  -0.622   0.283
   71   2HB   LYS  13          1HB       LYS  13  14.267   0.226   1.736
   72   1HG   LYS  13          2HG       LYS  13  15.351  -1.839   2.529
   73   2HG   LYS  13          1HG       LYS  13  14.893  -2.638   1.025
   74   1HD   LYS  13          2HD       LYS  13  16.141  -0.770  -0.161
   75   2HD   LYS  13          1HD       LYS  13  16.794  -0.333   1.411
   76   1HE   LYS  13          2HE       LYS  13  17.117  -2.980   0.000
   77   2HE   LYS  13          1HE       LYS  13  18.357  -1.747   0.202
   78   1HZ   LYS  13          1HZ       LYS  13  17.915  -2.100   2.699
   79   2HZ   LYS  13          3HZ       LYS  13  17.200  -3.561   2.224
   80   3HZ   LYS  13          2HZ       LYS  13  18.826  -3.255   1.862
   81    H    LYS  14           H        LYS  14  11.174  -1.978   0.250
   82    HA   LYS  14           HA       LYS  14   9.620   0.454  -0.048
   83   1HB   LYS  14          2HB       LYS  14  10.405  -1.072  -1.933
   84   2HB   LYS  14          1HB       LYS  14   9.224  -2.239  -1.372
   85   1HG   LYS  14          2HG       LYS  14   7.415  -0.783  -1.918
   86   2HG   LYS  14          1HG       LYS  14   8.527   0.543  -2.269
   87   1HD   LYS  14          2HD       LYS  14   9.447  -0.676  -4.151
   88   2HD   LYS  14          1HD       LYS  14   8.452  -2.082  -3.764
   89   1HE   LYS  14          2HE       LYS  14   6.438  -0.819  -4.243
   90   2HE   LYS  14          1HE       LYS  14   7.392   0.635  -4.548
   91   1HZ   LYS  14          1HZ       LYS  14   7.663  -1.883  -6.105
   92   2HZ   LYS  14          3HZ       LYS  14   6.688  -0.577  -6.577
   93   3HZ   LYS  14          2HZ       LYS  14   8.365  -0.376  -6.457
   94    H    LEU  15           H        LEU  15   7.077  -0.058  -0.190
   95    HA   LEU  15           HA       LEU  15   6.351  -0.953   2.417
   96   1HB   LEU  15          2HB       LEU  15   4.671  -0.094   0.075
   97   2HB   LEU  15          1HB       LEU  15   3.999  -0.558   1.621
   98    HG   LEU  15           HG       LEU  15   5.813   1.787   1.087
   99   1HD1  LEU  15          3HD1      LEU  15   3.510   2.109   0.367
  100   2HD1  LEU  15          2HD1      LEU  15   2.937   1.631   1.963
  101   3HD1  LEU  15          1HD1      LEU  15   3.882   3.107   1.770
  102   1HD2  LEU  15          1HD2      LEU  15   6.335   0.785   3.242
  103   2HD2  LEU  15          3HD2      LEU  15   5.521   2.333   3.445
  104   3HD2  LEU  15          2HD2      LEU  15   4.632   0.831   3.691
  105    H    CYS  16           H        CYS  16   7.223  -3.086   2.230
  106    HA   CYS  16           HA       CYS  16   5.561  -4.990   0.740
  107   1HB   CYS  16          2HB       CYS  16   7.432  -6.577   1.262
  108   2HB   CYS  16          1HB       CYS  16   7.916  -5.198   0.282
  109    H    ARG  17           H        ARG  17   5.428  -3.560   3.548
  110    HA   ARG  17           HA       ARG  17   5.255  -5.877   5.309
  111   1HB   ARG  17          2HB       ARG  17   4.887  -2.948   5.975
  112   2HB   ARG  17          1HB       ARG  17   5.183  -4.268   7.101
  113   1HG   ARG  17          2HG       ARG  17   7.402  -4.579   6.248
  114   2HG   ARG  17          1HG       ARG  17   7.117  -3.391   4.970
  115   1HD   ARG  17          2HD       ARG  17   6.714  -1.711   6.805
  116   2HD   ARG  17          1HD       ARG  17   7.314  -2.925   7.939
  117    HE   ARG  17           HE       ARG  17   9.390  -2.896   6.450
  118   1HH1  ARG  17          1HH1      ARG  17   7.360  -0.120   7.123
  119   2HH1  ARG  17          2HH1      ARG  17   8.606   1.040   6.767
  120   1HH2  ARG  17          1HH2      ARG  17  11.034  -1.387   5.987
  121   2HH2  ARG  17          2HH2      ARG  17  10.714   0.315   6.138
  122    H    GLY  18           H        GLY  18   3.336  -5.137   3.135
  123   1HA   GLY  18          1HA       GLY  18   0.876  -4.492   4.551
  124   2HA   GLY  18          2HA       GLY  18   0.991  -6.112   3.865
  125    H    PHE  19           H        PHE  19   2.139  -5.892   1.557
  126    HA   PHE  19           HA       PHE  19   1.275  -3.581   0.079
  127   1HB   PHE  19          2HB       PHE  19   3.432  -4.797  -0.342
  128   2HB   PHE  19          1HB       PHE  19   2.486  -6.154  -0.947
  129    HD1  PHE  19          1HD       PHE  19   3.036  -2.521  -1.482
  130    HD2  PHE  19          2HD       PHE  19   1.914  -6.257  -3.160
  131    HE1  PHE  19          1HE       PHE  19   2.999  -1.494  -3.722
  132    HE2  PHE  19          2HE       PHE  19   1.866  -5.249  -5.408
  133    HZ   PHE  19           HZ       PHE  19   2.382  -2.822  -5.670
  134    H    LEU  21           H        LEU  21  -2.132  -3.758   1.078
  135    HA   LEU  21           HA       LEU  21  -3.877  -5.619   2.354
  136   1HB   LEU  21          2HB       LEU  21  -2.007  -4.515   3.519
  137   2HB   LEU  21          1HB       LEU  21  -2.816  -2.971   3.347
  138    HG   LEU  21           HG       LEU  21  -4.669  -3.815   4.757
  139   1HD1  LEU  21          1HD1      LEU  21  -2.870  -6.207   5.121
  140   2HD1  LEU  21          3HD1      LEU  21  -4.333  -5.872   6.052
  141   3HD1  LEU  21          2HD1      LEU  21  -4.436  -6.193   4.317
  142   1HD2  LEU  21          2HD2      LEU  21  -1.916  -3.974   5.986
  143   2HD2  LEU  21          1HD2      LEU  21  -2.865  -2.507   5.744
  144   3HD2  LEU  21          3HD2      LEU  21  -3.422  -3.741   6.870
  145    H    CYS  23           H        CYS  23  -6.047  -4.306  -0.812
  146    HA   CYS  23           HA       CYS  23  -7.318  -1.978  -2.058
  147   1HB   CYS  23          2HB       CYS  23  -5.516  -2.194  -3.764
  148   2HB   CYS  23          1HB       CYS  23  -4.910  -1.934  -2.132
  149    H    GLY  24           H        GLY  24  -7.083  -5.433  -2.236
  150   1HA   GLY  24          1HA       GLY  24  -7.790  -6.840  -4.017
  151   2HA   GLY  24          2HA       GLY  24  -8.585  -5.456  -4.764
  152    H    CYS  25           H        CYS  25  -9.237  -5.330  -1.540
  153    HA   CYS  25           HA       CYS  25 -11.416  -7.230  -1.536
  154   1HB   CYS  25          2HB       CYS  25 -11.812  -6.332   0.776
  155   2HB   CYS  25          1HB       CYS  25 -10.233  -7.060   0.514
  156    H    HIS  26           H        HIS  26 -12.898  -6.535  -2.984
  157    HA   HIS  26           HA       HIS  26 -13.897  -3.806  -2.830
  158   1HB   HIS  26          2HB       HIS  26 -13.613  -5.051  -5.022
  159   2HB   HIS  26          1HB       HIS  26 -14.967  -6.065  -4.535
  160    HD1  HIS  26          1HD       HIS  26 -16.980  -5.347  -5.808
  161    HD2  HIS  26          2HD       HIS  26 -14.632  -2.114  -4.629
  162    HE1  HIS  26          1HE       HIS  26 -18.222  -3.290  -6.568
  163    HE2  HIS  26          2HE       HIS  26 -16.844  -1.344  -5.730
  164    H    PHE  27           H        PHE  27 -14.737  -7.027  -1.849
  165    HA   PHE  27           HA       PHE  27 -17.399  -6.264  -0.971
  166   1HB   PHE  27          2HB       PHE  27 -15.826  -8.833  -0.663
  167   2HB   PHE  27          1HB       PHE  27 -17.471  -8.609  -0.081
  168    HD1  PHE  27          1HD       PHE  27 -19.319  -8.359  -1.670
  169    HD2  PHE  27          2HD       PHE  27 -15.355  -9.186  -2.974
  170    HE1  PHE  27          1HE       PHE  27 -20.188  -9.067  -3.858
  171    HE2  PHE  27          2HE       PHE  27 -16.219  -9.886  -5.171
  172    HZ   PHE  27           HZ       PHE  27 -18.639  -9.827  -5.616
  173    H    GLY  29           H        GLY  29 -18.119  -7.792   2.891
  174   1HA   GLY  29          1HA       GLY  29 -17.636  -8.734   5.451
  175   2HA   GLY  29          2HA       GLY  29 -16.299  -9.315   4.462
  176    H    LYS  30           H        LYS  30 -19.449  -9.875   5.471
  177    HA   LYS  30           HA       LYS  30 -19.943 -11.766   3.257
  178   1HB   LYS  30          2HB       LYS  30 -20.729 -12.099   6.172
  179   2HB   LYS  30          1HB       LYS  30 -21.099 -13.222   4.865
  180   1HG   LYS  30          2HG       LYS  30 -18.351 -12.537   5.886
  181   2HG   LYS  30          1HG       LYS  30 -19.238 -14.028   6.199
  182   1HD   LYS  30          2HD       LYS  30 -19.233 -14.512   3.783
  183   2HD   LYS  30          1HD       LYS  30 -18.306 -13.037   3.502
  184   1HE   LYS  30          2HE       LYS  30 -16.515 -13.938   4.958
  185   2HE   LYS  30          1HE       LYS  30 -17.429 -15.437   5.101
  186   1HZ   LYS  30          1HZ       LYS  30 -17.298 -15.648   2.659
  187   2HZ   LYS  30          3HZ       LYS  30 -16.278 -14.292   2.614
  188   3HZ   LYS  30          2HZ       LYS  30 -15.783 -15.704   3.413
  189    H    LYS  31           H        LYS  31 -21.484 -10.009   5.901
  190    HA   LYS  31           HA       LYS  31 -23.398  -8.797   4.123
  191   1HB   LYS  31          2HB       LYS  31 -24.411 -11.019   4.743
  192   2HB   LYS  31          1HB       LYS  31 -24.380 -10.512   6.424
  193   1HG   LYS  31          2HG       LYS  31 -25.796  -8.858   4.371
  194   2HG   LYS  31          1HG       LYS  31 -26.566 -10.285   5.057
  195   1HD   LYS  31          2HD       LYS  31 -25.468  -7.975   6.661
  196   2HD   LYS  31          1HD       LYS  31 -27.163  -8.175   6.218
  197   1HE   LYS  31          2HE       LYS  31 -25.595 -10.206   7.800
  198   2HE   LYS  31          1HE       LYS  31 -26.573  -8.940   8.535
  199   1HZ   LYS  31          1HZ       LYS  31 -28.508  -9.844   7.346
  200   2HZ   LYS  31          3HZ       LYS  31 -27.550 -11.118   6.759
  201   3HZ   LYS  31          2HZ       LYS  31 -27.822 -10.961   8.417

  No H/Q in entry =         201
  Start of MODEL   12
    1    H    ALA   2           H        ALA   2   5.013  10.442 -18.700
    2    HA   ALA   2           HA       ALA   2   3.852   7.800 -18.469
    3   1HB   ALA   2          2HB       ALA   2   4.575   8.630 -20.646
    4   2HB   ALA   2          3HB       ALA   2   5.478   7.183 -20.193
    5   3HB   ALA   2          1HB       ALA   2   6.230   8.773 -20.049
    6    H    ILE   4           H        ILE   4   4.578   6.933 -14.482
    7    HA   ILE   4           HA       ILE   4   6.533   8.025 -12.631
    8    HB   ILE   4           HB       ILE   4   4.707   9.098 -11.478
    9   1HG1  ILE   4          2HG1      ILE   4   3.023   7.263 -11.773
   10   2HG1  ILE   4          1HG1      ILE   4   2.383   8.874 -12.061
   11   1HG2  ILE   4          2HG2      ILE   4   4.492   9.399 -14.461
   12   2HG2  ILE   4          1HG2      ILE   4   3.873  10.553 -13.284
   13   3HG2  ILE   4          3HG2      ILE   4   5.608  10.242 -13.391
   14   1HD1  ILE   4          1HD1      ILE   4   2.539   8.497 -14.471
   15   2HD1  ILE   4          3HD1      ILE   4   3.173   6.878 -14.175
   16   3HD1  ILE   4          2HD1      ILE   4   1.529   7.286 -13.684
   17    H    VAL   5           H        VAL   5   6.894   7.304 -10.594
   18    HA   VAL   5           HA       VAL   5   5.730   4.711  -9.928
   19    HB   VAL   5           HB       VAL   5   7.988   6.175  -8.548
   20   1HG1  VAL   5          3HG1      VAL   5   7.031   3.321  -8.321
   21   2HG1  VAL   5          2HG1      VAL   5   8.485   3.970  -7.561
   22   3HG1  VAL   5          1HG1      VAL   5   6.898   4.575  -7.091
   23   1HG2  VAL   5          2HG2      VAL   5   8.575   5.628 -10.851
   24   2HG2  VAL   5          1HG2      VAL   5   9.487   4.639  -9.712
   25   3HG2  VAL   5          3HG2      VAL   5   8.114   3.948 -10.575
   26    H    LYS   6           H        LYS   6   4.116   4.548  -8.541
   27    HA   LYS   6           HA       LYS   6   3.273   6.900  -7.057
   28   1HB   LYS   6          2HB       LYS   6   1.995   4.253  -7.678
   29   2HB   LYS   6          1HB       LYS   6   1.325   5.301  -6.437
   30   1HG   LYS   6          2HG       LYS   6   0.148   5.631  -8.511
   31   2HG   LYS   6          1HG       LYS   6   1.061   7.084  -8.111
   32   1HD   LYS   6          2HD       LYS   6   1.290   6.657 -10.458
   33   2HD   LYS   6          1HD       LYS   6   2.836   6.325  -9.684
   34   1HE   LYS   6          2HE       LYS   6   2.386   4.598 -11.284
   35   2HE   LYS   6          1HE       LYS   6   2.250   3.916  -9.664
   36   1HZ   LYS   6          3HZ       LYS   6  -0.169   4.137  -9.835
   37   2HZ   LYS   6          2HZ       LYS   6  -0.009   4.745 -11.411
   38   3HZ   LYS   6          1HZ       LYS   6   0.457   3.155 -11.071
   39    H    ILE   9           H        ILE   9   7.908   6.939  -1.042
   40    HA   ILE   9           HA       ILE   9  10.764   7.208  -1.546
   41    HB   ILE   9           HB       ILE   9   9.481   6.752   1.137
   42   1HG1  ILE   9          2HG1      ILE   9   9.970   9.391  -0.255
   43   2HG1  ILE   9          1HG1      ILE   9   8.392   8.678   0.060
   44   1HG2  ILE   9          3HG2      ILE   9  12.064   8.067   0.295
   45   2HG2  ILE   9          2HG2      ILE   9  11.481   7.935   1.955
   46   3HG2  ILE   9          1HG2      ILE   9  11.899   6.481   1.047
   47   1HD1  ILE   9          2HD1      ILE   9   8.803   8.862   2.459
   48   2HD1  ILE   9          1HD1      ILE   9  10.370   9.602   2.132
   49   3HD1  ILE   9          3HD1      ILE   9   8.884  10.427   1.650
   50    H    LYS  10           H        LYS  10  10.025   5.051  -2.796
   51    HA   LYS  10           HA       LYS  10  10.513   2.885  -3.147
   52   1HB   LYS  10          2HB       LYS  10  12.291   3.465  -0.815
   53   2HB   LYS  10          1HB       LYS  10  12.116   1.805  -1.367
   54   1HG   LYS  10          2HG       LYS  10  14.053   2.805  -2.392
   55   2HG   LYS  10          1HG       LYS  10  12.829   2.496  -3.617
   56   1HD   LYS  10          2HD       LYS  10  13.647   4.643  -4.116
   57   2HD   LYS  10          1HD       LYS  10  12.118   4.927  -3.284
   58   1HE   LYS  10          2HE       LYS  10  13.731   6.454  -2.401
   59   2HE   LYS  10          1HE       LYS  10  13.408   5.238  -1.165
   60   1HZ   LYS  10          3HZ       LYS  10  15.730   5.228  -3.019
   61   2HZ   LYS  10          2HZ       LYS  10  15.776   5.703  -1.386
   62   3HZ   LYS  10          1HZ       LYS  10  15.430   4.094  -1.789
   63    H    ALA  11           H        ALA  11   8.976   1.474  -3.049
   64    HA   ALA  11           HA       ALA  11   7.277   1.156  -0.789
   65   1HB   ALA  11          2HB       ALA  11   7.494  -0.535  -3.283
   66   2HB   ALA  11          1HB       ALA  11   6.174  -0.576  -2.116
   67   3HB   ALA  11          3HB       ALA  11   6.453   0.873  -3.079
   68    H    LYS  13           H        LYS  13   8.048   0.005   1.869
   69    HA   LYS  13           HA       LYS  13   8.269  -0.932   4.654
   70   1HB   LYS  13          2HB       LYS  13   9.345   1.584   3.389
   71   2HB   LYS  13          1HB       LYS  13   9.133   1.426   5.130
   72   1HG   LYS  13          2HG       LYS  13  10.660  -0.467   5.160
   73   2HG   LYS  13          1HG       LYS  13  10.856  -0.343   3.406
   74   1HD   LYS  13          2HD       LYS  13  11.953   1.749   3.582
   75   2HD   LYS  13          1HD       LYS  13  11.474   1.936   5.269
   76   1HE   LYS  13          2HE       LYS  13  13.361  -0.173   4.219
   77   2HE   LYS  13          1HE       LYS  13  13.848   1.322   5.023
   78   1HZ   LYS  13          2HZ       LYS  13  12.538   0.571   6.965
   79   2HZ   LYS  13          1HZ       LYS  13  12.291  -0.917   6.195
   80   3HZ   LYS  13          3HZ       LYS  13  13.860  -0.431   6.619
   81    H    LYS  14           H        LYS  14   7.362   2.150   3.153
   82    HA   LYS  14           HA       LYS  14   5.318   2.673   5.014
   83   1HB   LYS  14          2HB       LYS  14   4.692   4.510   3.439
   84   2HB   LYS  14          1HB       LYS  14   6.386   4.502   3.908
   85   1HG   LYS  14          2HG       LYS  14   6.892   3.343   1.751
   86   2HG   LYS  14          1HG       LYS  14   5.207   3.582   1.296
   87   1HD   LYS  14          2HD       LYS  14   7.101   5.812   2.018
   88   2HD   LYS  14          1HD       LYS  14   6.785   5.284   0.365
   89   1HE   LYS  14          2HE       LYS  14   5.363   7.095   0.602
   90   2HE   LYS  14          1HE       LYS  14   4.305   5.729   0.946
   91   1HZ   LYS  14          2HZ       LYS  14   5.685   7.214   3.110
   92   2HZ   LYS  14          1HZ       LYS  14   4.184   7.715   2.495
   93   3HZ   LYS  14          3HZ       LYS  14   4.334   6.195   3.230
   94    H    LEU  15           H        LEU  15   3.454   1.703   5.205
   95    HA   LEU  15           HA       LEU  15   1.508   0.611   4.783
   96   1HB   LEU  15          2HB       LEU  15   1.718   2.125   2.184
   97   2HB   LEU  15          1HB       LEU  15   0.282   1.273   2.713
   98    HG   LEU  15           HG       LEU  15   1.546   3.637   4.112
   99   1HD1  LEU  15          3HD1      LEU  15   0.464   4.220   1.994
  100   2HD1  LEU  15          2HD1      LEU  15  -1.011   3.417   2.531
  101   3HD1  LEU  15          1HD1      LEU  15  -0.432   4.852   3.379
  102   1HD2  LEU  15          3HD2      LEU  15  -0.974   2.098   4.717
  103   2HD2  LEU  15          2HD2      LEU  15   0.489   2.152   5.707
  104   3HD2  LEU  15          1HD2      LEU  15  -0.487   3.607   5.496
  105    H    CYS  16           H        CYS  16   4.088  -0.638   3.923
  106    HA   CYS  16           HA       CYS  16   3.122  -2.292   1.696
  107   1HB   CYS  16          2HB       CYS  16   5.281  -0.960   1.487
  108   2HB   CYS  16          1HB       CYS  16   5.970  -2.080   2.650
  109    H    ARG  17           H        ARG  17   2.899  -2.466   4.826
  110    HA   ARG  17           HA       ARG  17   3.919  -5.155   5.195
  111   1HB   ARG  17          2HB       ARG  17   2.268  -3.391   7.016
  112   2HB   ARG  17          1HB       ARG  17   2.801  -5.015   7.432
  113   1HG   ARG  17          2HG       ARG  17   5.167  -4.156   6.958
  114   2HG   ARG  17          1HG       ARG  17   4.451  -2.544   7.032
  115   1HD   ARG  17          2HD       ARG  17   5.380  -3.165   9.196
  116   2HD   ARG  17          1HD       ARG  17   3.624  -3.022   9.292
  117    HE   ARG  17           HE       ARG  17   3.547  -5.486   9.179
  118   1HH1  ARG  17          1HH1      ARG  17   6.519  -3.930  10.234
  119   2HH1  ARG  17          2HH1      ARG  17   7.123  -5.361  11.019
  120   1HH2  ARG  17          1HH2      ARG  17   4.344  -7.334  10.238
  121   2HH2  ARG  17          2HH2      ARG  17   5.891  -7.276  11.027
  122    H    GLY  18           H        GLY  18   2.778  -5.969   3.365
  123   1HA   GLY  18          1HA       GLY  18  -0.101  -6.407   3.850
  124   2HA   GLY  18          2HA       GLY  18   0.952  -7.606   3.108
  125    H    PHE  19           H        PHE  19   1.578  -7.357   0.972
  126    HA   PHE  19           HA       PHE  19   1.165  -5.021  -0.545
  127   1HB   PHE  19          2HB       PHE  19   2.762  -6.825  -1.141
  128   2HB   PHE  19          1HB       PHE  19   1.403  -7.878  -1.520
  129    HD1  PHE  19          1HD       PHE  19   3.213  -4.843  -2.564
  130    HD2  PHE  19          2HD       PHE  19   0.243  -7.714  -3.583
  131    HE1  PHE  19          1HE       PHE  19   3.192  -3.993  -4.871
  132    HE2  PHE  19          2HE       PHE  19   0.215  -6.869  -5.891
  133    HZ   PHE  19           HZ       PHE  19   1.709  -5.017  -6.538
  134    H    LEU  21           H        LEU  21  -2.096  -4.355   0.920
  135    HA   LEU  21           HA       LEU  21  -4.157  -5.637   2.290
  136   1HB   LEU  21          2HB       LEU  21  -1.955  -4.517   3.138
  137   2HB   LEU  21          1HB       LEU  21  -2.944  -3.079   3.285
  138    HG   LEU  21           HG       LEU  21  -3.515  -5.695   4.695
  139   1HD1  LEU  21          3HD1      LEU  21  -1.441  -4.689   5.486
  140   2HD1  LEU  21          2HD1      LEU  21  -2.285  -3.165   5.764
  141   3HD1  LEU  21          1HD1      LEU  21  -2.712  -4.592   6.708
  142   1HD2  LEU  21          2HD2      LEU  21  -4.717  -2.948   5.015
  143   2HD2  LEU  21          1HD2      LEU  21  -5.523  -4.373   4.358
  144   3HD2  LEU  21          3HD2      LEU  21  -5.043  -4.331   6.053
  145    H    CYS  23           H        CYS  23  -6.254  -4.118  -0.580
  146    HA   CYS  23           HA       CYS  23  -7.466  -1.771  -1.889
  147   1HB   CYS  23          2HB       CYS  23  -5.614  -1.669  -3.381
  148   2HB   CYS  23          1HB       CYS  23  -4.941  -1.871  -1.774
  149    H    GLY  24           H        GLY  24  -6.554  -5.161  -2.460
  150   1HA   GLY  24          1HA       GLY  24  -7.296  -6.531  -4.238
  151   2HA   GLY  24          2HA       GLY  24  -8.497  -5.312  -4.652
  152    H    CYS  25           H        CYS  25  -9.728  -4.873  -2.283
  153    HA   CYS  25           HA       CYS  25 -10.812  -7.502  -1.539
  154   1HB   CYS  25          2HB       CYS  25 -11.074  -6.538   0.772
  155   2HB   CYS  25          1HB       CYS  25  -9.414  -6.826   0.268
  156    H    HIS  26           H        HIS  26 -12.993  -7.333  -0.514
  157    HA   HIS  26           HA       HIS  26 -14.478  -5.006  -1.556
  158   1HB   HIS  26          2HB       HIS  26 -16.362  -6.378  -2.051
  159   2HB   HIS  26          1HB       HIS  26 -14.963  -7.208  -2.714
  160    HD1  HIS  26          1HD       HIS  26 -17.824  -7.668  -0.508
  161    HD2  HIS  26          2HD       HIS  26 -14.126  -9.496  -1.071
  162    HE1  HIS  26          1HE       HIS  26 -17.981  -9.894   0.650
  163    HE2  HIS  26          2HE       HIS  26 -15.753 -11.009   0.262
  164    H    PHE  27           H        PHE  27 -13.444  -6.625   1.154
  165    HA   PHE  27           HA       PHE  27 -15.750  -5.819   2.774
  166   1HB   PHE  27          2HB       PHE  27 -15.057  -8.173   2.943
  167   2HB   PHE  27          1HB       PHE  27 -13.445  -7.665   3.432
  168    HD1  PHE  27          1HD       PHE  27 -12.952  -7.657   5.661
  169    HD2  PHE  27          2HD       PHE  27 -16.997  -7.187   4.438
  170    HE1  PHE  27          1HE       PHE  27 -13.662  -7.662   8.013
  171    HE2  PHE  27          2HE       PHE  27 -17.713  -7.199   6.791
  172    HZ   PHE  27           HZ       PHE  27 -16.036  -7.473   8.582
  173    H    GLY  29           H        GLY  29 -11.955  -3.135   3.104
  174   1HA   GLY  29          1HA       GLY  29 -12.026  -0.461   2.013
  175   2HA   GLY  29          2HA       GLY  29 -10.774  -1.668   1.739
  176    H    LYS  30           H        LYS  30 -10.200  -2.169   4.461
  177    HA   LYS  30           HA       LYS  30  -9.417   0.357   5.666
  178   1HB   LYS  30          2HB       LYS  30 -10.320  -1.207   7.210
  179   2HB   LYS  30          1HB       LYS  30  -9.338  -2.519   6.579
  180   1HG   LYS  30          2HG       LYS  30  -7.319  -1.285   7.424
  181   2HG   LYS  30          1HG       LYS  30  -8.433  -0.187   8.244
  182   1HD   LYS  30          2HD       LYS  30  -9.301  -1.945   9.588
  183   2HD   LYS  30          1HD       LYS  30  -8.470  -3.171   8.627
  184   1HE   LYS  30          2HE       LYS  30  -7.109  -1.050  10.278
  185   2HE   LYS  30          1HE       LYS  30  -7.369  -2.714  10.800
  186   1HZ   LYS  30          2HZ       LYS  30  -6.040  -3.437   8.865
  187   2HZ   LYS  30          1HZ       LYS  30  -5.708  -1.816   8.492
  188   3HZ   LYS  30          3HZ       LYS  30  -5.154  -2.485   9.952
  189    H    LYS  31           H        LYS  31  -7.307   1.001   6.026
  190    HA   LYS  31           HA       LYS  31  -5.204  -0.606   4.725
  191   1HB   LYS  31          2HB       LYS  31  -5.008   2.290   5.592
  192   2HB   LYS  31          1HB       LYS  31  -3.895   1.403   4.557
  193   1HG   LYS  31          2HG       LYS  31  -6.716   2.187   3.861
  194   2HG   LYS  31          1HG       LYS  31  -5.239   2.936   3.253
  195   1HD   LYS  31          2HD       LYS  31  -6.001   0.048   2.834
  196   2HD   LYS  31          1HD       LYS  31  -6.286   1.339   1.668
  197   1HE   LYS  31          2HE       LYS  31  -3.878   1.762   1.549
  198   2HE   LYS  31          1HE       LYS  31  -3.594   0.469   2.722
  199   1HZ   LYS  31          3HZ       LYS  31  -4.856   0.118   0.054
  200   2HZ   LYS  31          2HZ       LYS  31  -3.242  -0.262   0.432
  201   3HZ   LYS  31          1HZ       LYS  31  -4.509  -1.111   1.172

  No H/Q in entry =         201
  Start of MODEL   13
    1    H    ALA   2           H        ALA   2  24.970   7.375  -2.534
    2    HA   ALA   2           HA       ALA   2  26.550   4.962  -2.831
    3   1HB   ALA   2          2HB       ALA   2  27.277   6.788  -1.353
    4   2HB   ALA   2          3HB       ALA   2  27.077   5.273  -0.480
    5   3HB   ALA   2          1HB       ALA   2  25.850   6.534  -0.356
    6    H    ILE   4           H        ILE   4  22.486   2.884   0.186
    7    HA   ILE   4           HA       ILE   4  19.791   4.023   0.102
    8    HB   ILE   4           HB       ILE   4  19.725   1.832   1.015
    9   1HG1  ILE   4          2HG1      ILE   4  19.616   3.850   3.272
   10   2HG1  ILE   4          1HG1      ILE   4  18.314   3.492   2.139
   11   1HG2  ILE   4          3HG2      ILE   4  21.932   2.681   2.881
   12   2HG2  ILE   4          2HG2      ILE   4  21.048   1.158   2.990
   13   3HG2  ILE   4          1HG2      ILE   4  22.044   1.503   1.573
   14   1HD1  ILE   4          1HD1      ILE   4  19.485   1.570   4.136
   15   2HD1  ILE   4          3HD1      ILE   4  17.960   2.440   4.298
   16   3HD1  ILE   4          2HD1      ILE   4  18.155   1.238   3.022
   17    H    VAL   5           H        VAL   5  20.005   6.167   0.325
   18    HA   VAL   5           HA       VAL   5  21.420   7.098   2.728
   19    HB   VAL   5           HB       VAL   5  21.610   9.317   1.628
   20   1HG1  VAL   5          1HG1      VAL   5  22.831   7.004   0.117
   21   2HG1  VAL   5          3HG1      VAL   5  23.384   8.676   0.038
   22   3HG1  VAL   5          2HG1      VAL   5  23.488   7.786   1.559
   23   1HG2  VAL   5          1HG2      VAL   5  20.538   7.847  -0.783
   24   2HG2  VAL   5          3HG2      VAL   5  19.751   9.171   0.075
   25   3HG2  VAL   5          2HG2      VAL   5  21.249   9.460  -0.805
   26    H    LYS   6           H        LYS   6  18.568   6.267   1.902
   27    HA   LYS   6           HA       LYS   6  17.106   7.571   3.836
   28   1HB   LYS   6          2HB       LYS   6  17.352   9.643   2.572
   29   2HB   LYS   6          1HB       LYS   6  16.744   8.865   1.114
   30   1HG   LYS   6          2HG       LYS   6  14.559   8.686   2.024
   31   2HG   LYS   6          1HG       LYS   6  15.118   9.160   3.628
   32   1HD   LYS   6          2HD       LYS   6  13.934  10.974   2.430
   33   2HD   LYS   6          1HD       LYS   6  15.591  11.392   2.854
   34   1HE   LYS   6          2HE       LYS   6  15.061  12.154   0.610
   35   2HE   LYS   6          1HE       LYS   6  16.301  10.905   0.566
   36   1HZ   LYS   6          2HZ       LYS   6  13.489  10.120   0.235
   37   2HZ   LYS   6          1HZ       LYS   6  14.306  10.840  -1.068
   38   3HZ   LYS   6          3HZ       LYS   6  14.893   9.403  -0.383
   39    H    ILE   9           H        ILE   9  14.997   1.081  -1.386
   40    HA   ILE   9           HA       ILE   9  12.228   1.431  -2.329
   41    HB   ILE   9           HB       ILE   9  14.288  -0.537  -3.347
   42   1HG1  ILE   9          2HG1      ILE   9  14.654   1.748  -4.158
   43   2HG1  ILE   9          1HG1      ILE   9  14.107   0.698  -5.464
   44   1HG2  ILE   9          3HG2      ILE   9  12.068  -1.527  -3.325
   45   2HG2  ILE   9          2HG2      ILE   9  11.420  -0.128  -4.181
   46   3HG2  ILE   9          1HG2      ILE   9  12.579  -1.191  -4.983
   47   1HD1  ILE   9          3HD1      ILE   9  12.392   2.652  -3.945
   48   2HD1  ILE   9          2HD1      ILE   9  13.060   2.895  -5.564
   49   3HD1  ILE   9          1HD1      ILE   9  11.866   1.627  -5.282
   50    H    LYS  10           H        LYS  10  10.956   0.703  -0.763
   51    HA   LYS  10           HA       LYS  10  11.731  -1.511   0.916
   52   1HB   LYS  10          2HB       LYS  10  10.461   0.416   1.808
   53   2HB   LYS  10          1HB       LYS  10   9.120  -0.018   0.760
   54   1HG   LYS  10          2HG       LYS  10   8.696  -0.776   3.007
   55   2HG   LYS  10          1HG       LYS  10   8.895  -2.156   1.926
   56   1HD   LYS  10          2HD       LYS  10  10.058  -2.541   4.025
   57   2HD   LYS  10          1HD       LYS  10  11.213  -2.412   2.697
   58   1HE   LYS  10          2HE       LYS  10  11.716  -0.128   3.328
   59   2HE   LYS  10          1HE       LYS  10  10.491  -0.177   4.590
   60   1HZ   LYS  10          1HZ       LYS  10  12.902  -1.911   4.501
   61   2HZ   LYS  10          3HZ       LYS  10  12.759  -0.500   5.436
   62   3HZ   LYS  10          2HZ       LYS  10  11.758  -1.831   5.760
   63    H    ALA  11           H        ALA  11  11.944  -3.070  -0.754
   64    HA   ALA  11           HA       ALA  11   9.567  -4.009  -2.093
   65   1HB   ALA  11          3HB       ALA  11  10.999  -5.741  -3.039
   66   2HB   ALA  11          2HB       ALA  11  11.744  -4.153  -3.218
   67   3HB   ALA  11          1HB       ALA  11  12.314  -5.256  -1.966
   68    H    LYS  13           H        LYS  13   7.367  -6.066   3.419
   69    HA   LYS  13           HA       LYS  13   5.695  -3.925   3.708
   70   1HB   LYS  13          2HB       LYS  13   4.547  -5.098   1.671
   71   2HB   LYS  13          1HB       LYS  13   3.960  -6.242   2.866
   72   1HG   LYS  13          2HG       LYS  13   2.283  -4.568   2.439
   73   2HG   LYS  13          1HG       LYS  13   2.893  -4.391   4.087
   74   1HD   LYS  13          2HD       LYS  13   2.649  -2.215   2.993
   75   2HD   LYS  13          1HD       LYS  13   4.343  -2.560   3.353
   76   1HE   LYS  13          2HE       LYS  13   4.680  -3.263   1.028
   77   2HE   LYS  13          1HE       LYS  13   2.991  -2.886   0.674
   78   1HZ   LYS  13          1HZ       LYS  13   4.990  -0.912   1.649
   79   2HZ   LYS  13          3HZ       LYS  13   4.563  -1.114   0.028
   80   3HZ   LYS  13          2HZ       LYS  13   3.405  -0.583   1.142
   81    H    LYS  14           H        LYS  14   4.705  -7.284   3.991
   82    HA   LYS  14           HA       LYS  14   5.606  -7.452   6.744
   83   1HB   LYS  14          2HB       LYS  14   2.707  -7.726   5.940
   84   2HB   LYS  14          1HB       LYS  14   3.348  -8.435   7.410
   85   1HG   LYS  14          2HG       LYS  14   3.998  -6.215   8.198
   86   2HG   LYS  14          1HG       LYS  14   3.333  -5.499   6.725
   87   1HD   LYS  14          2HD       LYS  14   1.121  -6.293   7.303
   88   2HD   LYS  14          1HD       LYS  14   1.762  -7.134   8.713
   89   1HE   LYS  14          2HE       LYS  14   2.431  -5.012   9.694
   90   2HE   LYS  14          1HE       LYS  14   1.839  -4.151   8.275
   91   1HZ   LYS  14          3HZ       LYS  14  -0.390  -5.017   8.781
   92   2HZ   LYS  14          2HZ       LYS  14   0.215  -5.726  10.198
   93   3HZ   LYS  14          1HZ       LYS  14   0.226  -4.041  10.027
   94    H    LEU  15           H        LEU  15   3.288  -9.330   4.820
   95    HA   LEU  15           HA       LEU  15   4.960 -11.684   5.091
   96   1HB   LEU  15          2HB       LEU  15   2.222 -11.305   3.875
   97   2HB   LEU  15          1HB       LEU  15   3.063 -12.837   3.940
   98    HG   LEU  15           HG       LEU  15   3.096 -12.526   6.476
   99   1HD1  LEU  15          2HD1      LEU  15   0.944 -10.537   5.775
  100   2HD1  LEU  15          1HD1      LEU  15   1.274 -11.169   7.386
  101   3HD1  LEU  15          3HD1      LEU  15   2.480 -10.181   6.562
  102   1HD2  LEU  15          2HD2      LEU  15   0.511 -12.991   5.002
  103   2HD2  LEU  15          1HD2      LEU  15   1.748 -14.192   5.370
  104   3HD2  LEU  15          3HD2      LEU  15   0.824 -13.448   6.680
  105    H    CYS  16           H        CYS  16   4.329  -9.221   2.846
  106    HA   CYS  16           HA       CYS  16   4.982  -8.741   0.754
  107   1HB   CYS  16          2HB       CYS  16   6.979 -10.803   1.588
  108   2HB   CYS  16          1HB       CYS  16   7.125  -9.946   0.060
  109    H    ARG  17           H        ARG  17   6.068 -10.484  -1.262
  110    HA   ARG  17           HA       ARG  17   5.434 -11.862  -2.933
  111   1HB   ARG  17          2HB       ARG  17   3.387 -12.856  -0.959
  112   2HB   ARG  17          1HB       ARG  17   3.583 -13.521  -2.569
  113   1HG   ARG  17          2HG       ARG  17   5.872 -14.185  -2.001
  114   2HG   ARG  17          1HG       ARG  17   5.652 -13.525  -0.383
  115   1HD   ARG  17          2HD       ARG  17   5.309 -15.902  -0.303
  116   2HD   ARG  17          1HD       ARG  17   3.760 -15.095  -0.053
  117    HE   ARG  17           HE       ARG  17   4.543 -16.172  -2.695
  118   1HH1  ARG  17          1HH1      ARG  17   2.253 -15.917  -0.042
  119   2HH1  ARG  17          2HH1      ARG  17   1.015 -16.824  -0.860
  120   1HH2  ARG  17          1HH2      ARG  17   2.938 -17.407  -3.737
  121   2HH2  ARG  17          2HH2      ARG  17   1.417 -17.703  -2.947
  122    H    GLY  18           H        GLY  18   4.156  -9.240  -2.020
  123   1HA   GLY  18          1HA       GLY  18   1.741  -9.354  -3.681
  124   2HA   GLY  18          2HA       GLY  18   2.949  -8.104  -3.944
  125    H    PHE  19           H        PHE  19   1.425  -6.495  -3.506
  126    HA   PHE  19           HA       PHE  19   0.440  -6.416  -0.739
  127   1HB   PHE  19          2HB       PHE  19   0.766  -3.999  -0.687
  128   2HB   PHE  19          1HB       PHE  19   2.291  -4.814  -0.991
  129    HD1  PHE  19          1HD       PHE  19  -0.251  -2.580  -2.334
  130    HD2  PHE  19          2HD       PHE  19   3.374  -4.652  -3.165
  131    HE1  PHE  19          1HE       PHE  19   0.094  -1.174  -4.322
  132    HE2  PHE  19          2HE       PHE  19   3.727  -3.245  -5.155
  133    HZ   PHE  19           HZ       PHE  19   2.100  -1.464  -5.702
  134    H    LEU  21           H        LEU  21  -2.696  -4.737   0.634
  135    HA   LEU  21           HA       LEU  21  -5.026  -6.006   1.720
  136   1HB   LEU  21          2HB       LEU  21  -2.886  -4.295   2.989
  137   2HB   LEU  21          1HB       LEU  21  -4.208  -5.009   3.892
  138    HG   LEU  21           HG       LEU  21  -2.318  -6.391   4.241
  139   1HD1  LEU  21          3HD1      LEU  21  -4.415  -7.590   3.842
  140   2HD1  LEU  21          2HD1      LEU  21  -4.007  -7.720   2.129
  141   3HD1  LEU  21          1HD1      LEU  21  -3.010  -8.532   3.333
  142   1HD2  LEU  21          1HD2      LEU  21  -1.946  -6.436   1.255
  143   2HD2  LEU  21          3HD2      LEU  21  -0.902  -5.644   2.435
  144   3HD2  LEU  21          2HD2      LEU  21  -1.027  -7.403   2.408
  145    H    CYS  23           H        CYS  23  -6.076  -3.344  -0.370
  146    HA   CYS  23           HA       CYS  23  -7.447  -1.359  -2.040
  147   1HB   CYS  23          2HB       CYS  23  -5.199  -1.955  -3.424
  148   2HB   CYS  23          1HB       CYS  23  -5.294  -0.685  -2.215
  149    H    GLY  24           H        GLY  24  -6.461  -4.705  -1.868
  150   1HA   GLY  24          1HA       GLY  24  -6.631  -6.196  -3.823
  151   2HA   GLY  24          2HA       GLY  24  -8.022  -5.237  -4.313
  152    H    CYS  25           H        CYS  25  -9.071  -4.952  -1.679
  153    HA   CYS  25           HA       CYS  25  -9.695  -7.674  -0.839
  154   1HB   CYS  25          2HB       CYS  25 -10.858  -6.374   1.051
  155   2HB   CYS  25          1HB       CYS  25  -9.100  -6.342   1.000
  156    H    HIS  26           H        HIS  26 -11.863  -8.392  -0.647
  157    HA   HIS  26           HA       HIS  26 -13.534  -7.322  -2.756
  158   1HB   HIS  26          2HB       HIS  26 -13.135  -9.793  -2.412
  159   2HB   HIS  26          1HB       HIS  26 -14.104  -9.679  -0.948
  160    HD1  HIS  26          1HD       HIS  26 -15.083 -11.572  -3.056
  161    HD2  HIS  26          2HD       HIS  26 -16.177  -7.558  -2.961
  162    HE1  HIS  26          1HE       HIS  26 -17.231 -11.419  -4.356
  163    HE2  HIS  26          2HE       HIS  26 -17.986  -9.037  -4.060
  164    H    PHE  27           H        PHE  27 -14.173  -5.337  -1.857
  165    HA   PHE  27           HA       PHE  27 -15.511  -5.137   0.633
  166   1HB   PHE  27          2HB       PHE  27 -14.402  -3.251  -0.696
  167   2HB   PHE  27          1HB       PHE  27 -15.854  -3.247  -1.687
  168    HD1  PHE  27          1HD       PHE  27 -17.623  -1.880  -1.089
  169    HD2  PHE  27          2HD       PHE  27 -14.783  -3.029   1.863
  170    HE1  PHE  27          1HE       PHE  27 -18.713  -0.390   0.524
  171    HE2  PHE  27          2HE       PHE  27 -15.876  -1.539   3.485
  172    HZ   PHE  27           HZ       PHE  27 -17.846  -0.220   2.819
  173    H    GLY  29           H        GLY  29 -18.678  -7.305   1.946
  174   1HA   GLY  29          1HA       GLY  29 -19.072  -9.889   0.622
  175   2HA   GLY  29          2HA       GLY  29 -19.966  -9.560   2.108
  176    H    LYS  30           H        LYS  30 -17.427 -11.205   1.057
  177    HA   LYS  30           HA       LYS  30 -15.372 -10.283   2.850
  178   1HB   LYS  30          2HB       LYS  30 -16.977 -11.526   4.348
  179   2HB   LYS  30          1HB       LYS  30 -16.596 -12.981   3.434
  180   1HG   LYS  30          2HG       LYS  30 -15.306 -12.921   5.470
  181   2HG   LYS  30          1HG       LYS  30 -14.239 -12.749   4.073
  182   1HD   LYS  30          2HD       LYS  30 -13.468 -11.170   5.631
  183   2HD   LYS  30          1HD       LYS  30 -14.402 -10.239   4.462
  184   1HE   LYS  30          2HE       LYS  30 -15.571 -11.241   7.051
  185   2HE   LYS  30          1HE       LYS  30 -14.735  -9.695   6.921
  186   1HZ   LYS  30          2HZ       LYS  30 -16.364  -9.110   5.147
  187   2HZ   LYS  30          1HZ       LYS  30 -17.234 -10.509   5.541
  188   3HZ   LYS  30          3HZ       LYS  30 -17.035  -9.276   6.691
  189    H    LYS  31           H        LYS  31 -16.584 -13.010   0.936
  190    HA   LYS  31           HA       LYS  31 -13.861 -13.324  -0.120
  191   1HB   LYS  31          2HB       LYS  31 -14.355 -15.699  -0.520
  192   2HB   LYS  31          1HB       LYS  31 -14.488 -15.290   1.180
  193   1HG   LYS  31          2HG       LYS  31 -16.330 -16.602   0.933
  194   2HG   LYS  31          1HG       LYS  31 -17.039 -15.026   0.575
  195   1HD   LYS  31          2HD       LYS  31 -16.724 -15.466  -1.827
  196   2HD   LYS  31          1HD       LYS  31 -16.081 -17.060  -1.434
  197   1HE   LYS  31          2HE       LYS  31 -18.841 -16.088  -0.718
  198   2HE   LYS  31          1HE       LYS  31 -18.459 -17.111  -2.102
  199   1HZ   LYS  31          1HZ       LYS  31 -17.607 -18.782  -0.551
  200   2HZ   LYS  31          3HZ       LYS  31 -18.064 -17.805   0.756
  201   3HZ   LYS  31          2HZ       LYS  31 -19.243 -18.440  -0.282

  No H/Q in entry =         201
  Start of MODEL   14
    1    H    ALA   2           H        ALA   2  14.375  18.853  -5.585
    2    HA   ALA   2           HA       ALA   2  16.897  18.982  -4.069
    3   1HB   ALA   2          2HB       ALA   2  15.195  17.682  -2.920
    4   2HB   ALA   2          1HB       ALA   2  14.971  16.672  -4.346
    5   3HB   ALA   2          3HB       ALA   2  16.499  16.630  -3.465
    6    H    ILE   4           H        ILE   4  17.528  15.767  -7.437
    7    HA   ILE   4           HA       ILE   4  19.702  13.943  -8.108
    8    HB   ILE   4           HB       ILE   4  19.419  13.733  -5.647
    9   1HG1  ILE   4          2HG1      ILE   4  19.013  11.270  -5.584
   10   2HG1  ILE   4          1HG1      ILE   4  18.479  11.352  -7.260
   11   1HG2  ILE   4          3HG2      ILE   4  16.601  12.917  -6.331
   12   2HG2  ILE   4          2HG2      ILE   4  17.346  12.769  -4.737
   13   3HG2  ILE   4          1HG2      ILE   4  17.094  14.364  -5.450
   14   1HD1  ILE   4          3HD1      ILE   4  21.223  12.090  -6.262
   15   2HD1  ILE   4          2HD1      ILE   4  20.783  10.576  -7.056
   16   3HD1  ILE   4          1HD1      ILE   4  20.679  12.094  -7.937
   17    H    VAL   5           H        VAL   5  18.940  12.084  -9.262
   18    HA   VAL   5           HA       VAL   5  16.727  12.658 -10.948
   19    HB   VAL   5           HB       VAL   5  17.180  10.341 -11.886
   20   1HG1  VAL   5          3HG1      VAL   5  19.455  12.305 -11.722
   21   2HG1  VAL   5          2HG1      VAL   5  19.296  11.022 -12.924
   22   3HG1  VAL   5          1HG1      VAL   5  18.124  12.340 -12.879
   23   1HG2  VAL   5          1HG2      VAL   5  19.467  10.479  -9.923
   24   2HG2  VAL   5          3HG2      VAL   5  18.125   9.337  -9.877
   25   3HG2  VAL   5          2HG2      VAL   5  19.290   9.282 -11.201
   26    H    LYS   6           H        LYS   6  16.178  12.116  -8.041
   27    HA   LYS   6           HA       LYS   6  14.638  11.103  -6.716
   28   1HB   LYS   6          2HB       LYS   6  13.163  10.816  -9.333
   29   2HB   LYS   6          1HB       LYS   6  12.445  10.651  -7.743
   30   1HG   LYS   6          2HG       LYS   6  11.866  12.801  -8.165
   31   2HG   LYS   6          1HG       LYS   6  13.452  13.092  -7.455
   32   1HD   LYS   6          2HD       LYS   6  14.440  13.180  -9.702
   33   2HD   LYS   6          1HD       LYS   6  12.847  12.893 -10.401
   34   1HE   LYS   6          2HE       LYS   6  13.264  15.232 -10.531
   35   2HE   LYS   6          1HE       LYS   6  12.062  14.977  -9.268
   36   1HZ   LYS   6          3HZ       LYS   6  14.030  15.008  -7.678
   37   2HZ   LYS   6          2HZ       LYS   6  14.933  15.648  -8.968
   38   3HZ   LYS   6          1HZ       LYS   6  13.583  16.487  -8.375
   39    H    ILE   9           H        ILE   9  13.799   4.456 -12.036
   40    HA   ILE   9           HA       ILE   9  12.803   2.487 -12.444
   41    HB   ILE   9           HB       ILE   9  15.379   1.376 -11.353
   42   1HG1  ILE   9          2HG1      ILE   9  14.430   1.923 -14.173
   43   2HG1  ILE   9          1HG1      ILE   9  15.686   2.805 -13.306
   44   1HG2  ILE   9          2HG2      ILE   9  13.615  -0.316 -11.275
   45   2HG2  ILE   9          1HG2      ILE   9  13.217   0.002 -12.964
   46   3HG2  ILE   9          3HG2      ILE   9  14.780  -0.698 -12.544
   47   1HD1  ILE   9          1HD1      ILE   9  15.801  -0.092 -14.113
   48   2HD1  ILE   9          3HD1      ILE   9  16.625   1.247 -14.918
   49   3HD1  ILE   9          2HD1      ILE   9  17.065   0.802 -13.271
   50    H    LYS  10           H        LYS  10  11.089   2.553 -11.110
   51    HA   LYS  10           HA       LYS  10  11.369   1.225  -8.512
   52   1HB   LYS  10          2HB       LYS  10   9.336   2.451  -7.826
   53   2HB   LYS  10          1HB       LYS  10  10.646   3.538  -8.267
   54   1HG   LYS  10          2HG       LYS  10   9.602   3.843 -10.481
   55   2HG   LYS  10          1HG       LYS  10   8.260   2.826  -9.957
   56   1HD   LYS  10          2HD       LYS  10   7.564   5.086  -9.674
   57   2HD   LYS  10          1HD       LYS  10   7.913   4.447  -8.066
   58   1HE   LYS  10          2HE       LYS  10   8.839   6.663  -8.240
   59   2HE   LYS  10          1HE       LYS  10  10.157   5.493  -8.187
   60   1HZ   LYS  10          3HZ       LYS  10   9.086   6.665 -10.689
   61   2HZ   LYS  10          2HZ       LYS  10  10.435   7.277  -9.867
   62   3HZ   LYS  10          1HZ       LYS  10  10.478   5.715 -10.522
   63    H    ALA  11           H        ALA  11  10.863   0.353 -11.327
   64    HA   ALA  11           HA       ALA  11   8.181  -0.694 -11.313
   65   1HB   ALA  11          3HB       ALA  11  10.404  -1.208 -13.288
   66   2HB   ALA  11          2HB       ALA  11   8.688  -1.550 -13.516
   67   3HB   ALA  11          1HB       ALA  11   9.246   0.117 -13.386
   68    H    LYS  13           H        LYS  13  10.624  -2.268  -8.762
   69    HA   LYS  13           HA       LYS  13  12.382  -4.196  -7.397
   70   1HB   LYS  13          2HB       LYS  13  13.072  -1.754  -9.023
   71   2HB   LYS  13          1HB       LYS  13  14.215  -2.483  -7.904
   72   1HG   LYS  13          2HG       LYS  13  14.023  -4.606  -9.134
   73   2HG   LYS  13          1HG       LYS  13  12.958  -3.808 -10.296
   74   1HD   LYS  13          2HD       LYS  13  15.270  -3.931 -11.106
   75   2HD   LYS  13          1HD       LYS  13  14.735  -2.264 -10.898
   76   1HE   LYS  13          2HE       LYS  13  17.024  -2.607 -10.085
   77   2HE   LYS  13          1HE       LYS  13  15.933  -2.113  -8.793
   78   1HZ   LYS  13          2HZ       LYS  13  16.558  -4.966  -9.292
   79   2HZ   LYS  13          1HZ       LYS  13  17.553  -3.989  -8.323
   80   3HZ   LYS  13          3HZ       LYS  13  15.938  -4.243  -7.881
   81    H    LYS  14           H        LYS  14  10.706  -1.158  -7.166
   82    HA   LYS  14           HA       LYS  14  11.740  -0.844  -4.437
   83   1HB   LYS  14          2HB       LYS  14  11.476   1.353  -6.503
   84   2HB   LYS  14          1HB       LYS  14  11.804   1.626  -4.794
   85   1HG   LYS  14          2HG       LYS  14  13.923   0.507  -4.968
   86   2HG   LYS  14          1HG       LYS  14  13.576   0.012  -6.622
   87   1HD   LYS  14          2HD       LYS  14  15.059   1.892  -6.691
   88   2HD   LYS  14          1HD       LYS  14  13.474   2.419  -7.256
   89   1HE   LYS  14          2HE       LYS  14  14.219   4.120  -5.824
   90   2HE   LYS  14          1HE       LYS  14  13.055   3.192  -4.875
   91   1HZ   LYS  14          3HZ       LYS  14  14.952   2.017  -3.845
   92   2HZ   LYS  14          2HZ       LYS  14  16.018   3.010  -4.709
   93   3HZ   LYS  14          1HZ       LYS  14  14.986   3.689  -3.556
   94    H    LEU  15           H        LEU  15  10.242  -0.409  -2.968
   95    HA   LEU  15           HA       LEU  15   8.317  -0.058  -1.930
   96   1HB   LEU  15          2HB       LEU  15   7.968   1.746  -4.304
   97   2HB   LEU  15          1HB       LEU  15   6.790   1.615  -3.031
   98    HG   LEU  15           HG       LEU  15   8.558   2.327  -1.394
   99   1HD1  LEU  15          2HD1      LEU  15  10.072   2.980  -3.917
  100   2HD1  LEU  15          1HD1      LEU  15  10.511   3.501  -2.296
  101   3HD1  LEU  15          3HD1      LEU  15  10.531   1.786  -2.707
  102   1HD2  LEU  15          3HD2      LEU  15   6.855   3.864  -2.202
  103   2HD2  LEU  15          2HD2      LEU  15   8.396   4.693  -1.999
  104   3HD2  LEU  15          1HD2      LEU  15   7.848   4.243  -3.609
  105    H    CYS  16           H        CYS  16   8.516  -2.182  -4.123
  106    HA   CYS  16           HA       CYS  16   5.756  -2.484  -4.923
  107   1HB   CYS  16          2HB       CYS  16   8.157  -4.285  -5.263
  108   2HB   CYS  16          1HB       CYS  16   6.551  -4.665  -5.861
  109    H    ARG  17           H        ARG  17   4.282  -3.832  -4.066
  110    HA   ARG  17           HA       ARG  17   3.265  -5.335  -2.733
  111   1HB   ARG  17          2HB       ARG  17   6.072  -6.334  -2.250
  112   2HB   ARG  17          1HB       ARG  17   4.603  -7.195  -1.793
  113   1HG   ARG  17          2HG       ARG  17   3.983  -7.520  -4.056
  114   2HG   ARG  17          1HG       ARG  17   5.187  -6.367  -4.628
  115   1HD   ARG  17          2HD       ARG  17   6.931  -7.943  -3.673
  116   2HD   ARG  17          1HD       ARG  17   5.627  -9.120  -3.503
  117    HE   ARG  17           HE       ARG  17   5.401  -8.324  -6.077
  118   1HH1  ARG  17          1HH1      ARG  17   8.049  -9.617  -4.175
  119   2HH1  ARG  17          2HH1      ARG  17   8.876 -10.276  -5.555
  120   1HH2  ARG  17          1HH2      ARG  17   6.510  -9.179  -7.889
  121   2HH2  ARG  17          2HH2      ARG  17   8.016 -10.015  -7.653
  122    H    GLY  18           H        GLY  18   4.688  -2.791  -1.774
  123   1HA   GLY  18          1HA       GLY  18   4.912  -1.683   0.274
  124   2HA   GLY  18          2HA       GLY  18   4.614  -3.212   1.097
  125    H    PHE  19           H        PHE  19   2.541  -2.414  -1.451
  126    HA   PHE  19           HA       PHE  19   0.363  -1.935   0.452
  127   1HB   PHE  19          2HB       PHE  19   0.943   0.179  -0.721
  128   2HB   PHE  19          1HB       PHE  19   0.645  -0.624  -2.262
  129    HD1  PHE  19          1HD       PHE  19  -0.974   0.393   0.912
  130    HD2  PHE  19          2HD       PHE  19  -1.513  -0.745  -3.153
  131    HE1  PHE  19          1HE       PHE  19  -3.351   1.016   1.045
  132    HE2  PHE  19          2HE       PHE  19  -3.888  -0.117  -3.017
  133    HZ   PHE  19           HZ       PHE  19  -4.810   0.762  -0.924
  134    H    LEU  21           H        LEU  21  -2.761  -3.668   0.832
  135    HA   LEU  21           HA       LEU  21  -4.369  -6.008   1.578
  136   1HB   LEU  21          2HB       LEU  21  -2.409  -5.835   3.068
  137   2HB   LEU  21          1HB       LEU  21  -2.850  -4.182   3.445
  138    HG   LEU  21           HG       LEU  21  -4.961  -5.020   4.462
  139   1HD1  LEU  21          2HD1      LEU  21  -5.154  -7.109   3.218
  140   2HD1  LEU  21          1HD1      LEU  21  -3.710  -7.727   4.024
  141   3HD1  LEU  21          3HD1      LEU  21  -5.166  -7.400   4.959
  142   1HD2  LEU  21          2HD2      LEU  21  -2.411  -6.168   5.582
  143   2HD2  LEU  21          1HD2      LEU  21  -3.030  -4.538   5.851
  144   3HD2  LEU  21          3HD2      LEU  21  -3.912  -5.931   6.478
  145    H    CYS  23           H        CYS  23  -6.444  -4.435  -0.618
  146    HA   CYS  23           HA       CYS  23  -7.086  -2.004  -2.151
  147   1HB   CYS  23          2HB       CYS  23  -5.215  -2.905  -3.666
  148   2HB   CYS  23          1HB       CYS  23  -4.740  -2.256  -2.104
  149    H    GLY  24           H        GLY  24  -6.908  -5.537  -2.332
  150   1HA   GLY  24          1HA       GLY  24  -7.783  -6.887  -4.090
  151   2HA   GLY  24          2HA       GLY  24  -8.694  -5.497  -4.663
  152    H    CYS  25           H        CYS  25  -9.458  -4.914  -1.827
  153    HA   CYS  25           HA       CYS  25 -11.241  -7.147  -1.250
  154   1HB   CYS  25          2HB       CYS  25 -11.745  -5.741   0.818
  155   2HB   CYS  25          1HB       CYS  25 -10.149  -6.465   0.691
  156    H    HIS  26           H        HIS  26 -13.377  -7.083  -1.497
  157    HA   HIS  26           HA       HIS  26 -14.601  -4.503  -2.236
  158   1HB   HIS  26          2HB       HIS  26 -14.967  -7.201  -3.520
  159   2HB   HIS  26          1HB       HIS  26 -16.197  -5.950  -3.653
  160    HD1  HIS  26          1HD       HIS  26 -13.079  -7.106  -5.144
  161    HD2  HIS  26          2HD       HIS  26 -15.205  -3.532  -4.959
  162    HE1  HIS  26          1HE       HIS  26 -12.135  -5.656  -6.975
  163    HE2  HIS  26          2HE       HIS  26 -13.341  -3.451  -6.754
  164    H    PHE  27           H        PHE  27 -14.417  -6.463   0.190
  165    HA   PHE  27           HA       PHE  27 -17.244  -6.764   0.779
  166   1HB   PHE  27          2HB       PHE  27 -14.790  -7.400   2.431
  167   2HB   PHE  27          1HB       PHE  27 -16.447  -7.731   2.927
  168    HD1  PHE  27          1HD       PHE  27 -17.844  -9.208   1.318
  169    HD2  PHE  27          2HD       PHE  27 -13.592  -9.019   1.289
  170    HE1  PHE  27          1HE       PHE  27 -17.756 -11.388   0.177
  171    HE2  PHE  27          2HE       PHE  27 -13.497 -11.200   0.159
  172    HZ   PHE  27           HZ       PHE  27 -15.582 -12.387  -0.396
  173    H    GLY  29           H        GLY  29 -19.439  -4.549   4.052
  174   1HA   GLY  29          1HA       GLY  29 -18.138  -3.598   6.501
  175   2HA   GLY  29          2HA       GLY  29 -19.244  -4.958   6.399
  176    H    LYS  30           H        LYS  30 -20.292  -3.903   8.240
  177    HA   LYS  30           HA       LYS  30 -22.268  -1.948   7.263
  178   1HB   LYS  30          2HB       LYS  30 -23.177  -4.141   7.949
  179   2HB   LYS  30          1HB       LYS  30 -22.492  -3.914   9.556
  180   1HG   LYS  30          2HG       LYS  30 -23.924  -1.935   9.864
  181   2HG   LYS  30          1HG       LYS  30 -24.641  -2.234   8.279
  182   1HD   LYS  30          2HD       LYS  30 -25.414  -4.428   9.056
  183   2HD   LYS  30          1HD       LYS  30 -24.720  -4.104  10.642
  184   1HE   LYS  30          2HE       LYS  30 -27.082  -3.644  10.709
  185   2HE   LYS  30          1HE       LYS  30 -26.195  -2.126  10.834
  186   1HZ   LYS  30          1HZ       LYS  30 -27.435  -3.192   8.355
  187   2HZ   LYS  30          3HZ       LYS  30 -28.088  -1.971   9.332
  188   3HZ   LYS  30          2HZ       LYS  30 -26.631  -1.706   8.501
  189    H    LYS  31           H        LYS  31 -20.104  -2.754   9.903
  190    HA   LYS  31           HA       LYS  31 -19.147  -1.532  11.556
  191   1HB   LYS  31          2HB       LYS  31 -18.751   0.208   9.881
  192   2HB   LYS  31          1HB       LYS  31 -20.369   0.844  10.138
  193   1HG   LYS  31          2HG       LYS  31 -19.577   1.092  12.613
  194   2HG   LYS  31          1HG       LYS  31 -17.969   1.022  11.893
  195   1HD   LYS  31          2HD       LYS  31 -18.732   3.330  12.143
  196   2HD   LYS  31          1HD       LYS  31 -18.532   2.906  10.443
  197   1HE   LYS  31          2HE       LYS  31 -20.593   4.196  10.863
  198   2HE   LYS  31          1HE       LYS  31 -20.918   2.594  10.198
  199   1HZ   LYS  31          3HZ       LYS  31 -21.086   3.298  13.087
  200   2HZ   LYS  31          2HZ       LYS  31 -22.414   3.186  12.038
  201   3HZ   LYS  31          1HZ       LYS  31 -21.495   1.805  12.383

  No H/Q in entry =         201
  Start of MODEL   15
    1    H    ALA   2           H        ALA   2 -10.303 -20.151  13.099
    2    HA   ALA   2           HA       ALA   2  -9.714 -18.690  15.542
    3   1HB   ALA   2          3HB       ALA   2 -11.953 -20.709  15.448
    4   2HB   ALA   2          2HB       ALA   2 -11.363 -19.865  16.879
    5   3HB   ALA   2          1HB       ALA   2 -12.161 -18.966  15.586
    6    H    ILE   4           H        ILE   4  -7.862 -23.646  14.954
    7    HA   ILE   4           HA       ILE   4  -5.572 -24.010  13.265
    8    HB   ILE   4           HB       ILE   4  -6.771 -25.968  14.041
    9   1HG1  ILE   4          2HG1      ILE   4  -7.182 -25.634  11.063
   10   2HG1  ILE   4          1HG1      ILE   4  -5.653 -26.047  11.831
   11   1HG2  ILE   4          2HG2      ILE   4  -9.140 -24.868  12.541
   12   2HG2  ILE   4          1HG2      ILE   4  -9.050 -26.484  13.245
   13   3HG2  ILE   4          3HG2      ILE   4  -8.985 -25.062  14.285
   14   1HD1  ILE   4          3HD1      ILE   4  -6.633 -28.112  12.670
   15   2HD1  ILE   4          2HD1      ILE   4  -8.165 -27.702  11.904
   16   3HD1  ILE   4          1HD1      ILE   4  -6.733 -28.013  10.913
   17    H    VAL   5           H        VAL   5  -5.233 -23.160  11.316
   18    HA   VAL   5           HA       VAL   5  -7.453 -21.632  10.121
   19    HB   VAL   5           HB       VAL   5  -5.672 -20.168   9.136
   20   1HG1  VAL   5          2HG1      VAL   5  -6.920 -19.484  11.112
   21   2HG1  VAL   5          1HG1      VAL   5  -5.763 -20.328  12.142
   22   3HG1  VAL   5          3HG1      VAL   5  -5.248 -18.929  11.202
   23   1HG2  VAL   5          2HG2      VAL   5  -3.794 -21.726   9.289
   24   2HG2  VAL   5          1HG2      VAL   5  -3.440 -20.222  10.142
   25   3HG2  VAL   5          3HG2      VAL   5  -3.883 -21.665  11.056
   26    H    LYS   6           H        LYS   6  -7.636 -21.527   7.880
   27    HA   LYS   6           HA       LYS   6  -6.239 -23.647   6.394
   28   1HB   LYS   6          2HB       LYS   6  -8.885 -22.266   5.922
   29   2HB   LYS   6          1HB       LYS   6  -8.109 -23.266   4.707
   30   1HG   LYS   6          2HG       LYS   6  -8.878 -24.234   7.447
   31   2HG   LYS   6          1HG       LYS   6  -9.880 -24.417   6.007
   32   1HD   LYS   6          2HD       LYS   6  -8.065 -25.683   4.936
   33   2HD   LYS   6          1HD       LYS   6  -7.110 -25.538   6.410
   34   1HE   LYS   6          2HE       LYS   6  -9.786 -26.906   6.153
   35   2HE   LYS   6          1HE       LYS   6  -8.220 -27.709   6.271
   36   1HZ   LYS   6          2HZ       LYS   6  -7.927 -26.675   8.457
   37   2HZ   LYS   6          1HZ       LYS   6  -9.480 -26.006   8.355
   38   3HZ   LYS   6          3HZ       LYS   6  -9.286 -27.692   8.416
   39    H    ILE   9           H        ILE   9  -4.037 -16.200   4.772
   40    HA   ILE   9           HA       ILE   9  -2.962 -15.667   2.130
   41    HB   ILE   9           HB       ILE   9  -4.777 -14.016   3.898
   42   1HG1  ILE   9          2HG1      ILE   9  -6.405 -14.543   1.980
   43   2HG1  ILE   9          1HG1      ILE   9  -5.261 -15.797   1.515
   44   1HG2  ILE   9          2HG2      ILE   9  -3.424 -12.579   2.462
   45   2HG2  ILE   9          1HG2      ILE   9  -3.930 -13.505   1.049
   46   3HG2  ILE   9          3HG2      ILE   9  -5.113 -12.570   1.968
   47   1HD1  ILE   9          2HD1      ILE   9  -5.544 -16.847   3.705
   48   2HD1  ILE   9          1HD1      ILE   9  -6.707 -15.596   4.141
   49   3HD1  ILE   9          3HD1      ILE   9  -7.069 -16.716   2.829
   50    H    LYS  10           H        LYS  10  -1.010 -14.850   1.904
   51    HA   LYS  10           HA       LYS  10   0.221 -13.372   4.084
   52   1HB   LYS  10          2HB       LYS  10   1.447 -15.194   2.934
   53   2HB   LYS  10          1HB       LYS  10   1.365 -14.285   1.434
   54   1HG   LYS  10          2HG       LYS  10   2.764 -12.565   2.332
   55   2HG   LYS  10          1HG       LYS  10   2.723 -13.301   3.929
   56   1HD   LYS  10          2HD       LYS  10   4.744 -14.068   3.145
   57   2HD   LYS  10          1HD       LYS  10   3.670 -15.384   2.671
   58   1HE   LYS  10          2HE       LYS  10   4.512 -13.115   0.871
   59   2HE   LYS  10          1HE       LYS  10   5.276 -14.700   0.897
   60   1HZ   LYS  10          1HZ       LYS  10   3.042 -15.631   0.343
   61   2HZ   LYS  10          3HZ       LYS  10   2.508 -14.044   0.077
   62   3HZ   LYS  10          2HZ       LYS  10   3.750 -14.685  -0.865
   63    H    ALA  11           H        ALA  11   0.303 -11.219   4.131
   64    HA   ALA  11           HA       ALA  11  -0.730  -9.600   2.041
   65   1HB   ALA  11          2HB       ALA  11   0.965  -8.797   4.412
   66   2HB   ALA  11          1HB       ALA  11   0.025  -7.708   3.392
   67   3HB   ALA  11          3HB       ALA  11  -0.795  -8.907   4.386
   68    H    LYS  13           H        LYS  13   1.049  -9.993  -2.585
   69    HA   LYS  13           HA       LYS  13   1.126 -12.773  -2.888
   70   1HB   LYS  13          2HB       LYS  13   0.823 -10.604  -4.969
   71   2HB   LYS  13          1HB       LYS  13   0.563 -12.314  -5.284
   72   1HG   LYS  13          2HG       LYS  13  -1.240 -12.332  -3.627
   73   2HG   LYS  13          1HG       LYS  13  -0.994 -10.605  -3.356
   74   1HD   LYS  13          2HD       LYS  13  -1.695 -11.833  -6.019
   75   2HD   LYS  13          1HD       LYS  13  -2.870 -11.134  -4.906
   76   1HE   LYS  13          2HE       LYS  13  -1.852  -8.968  -5.098
   77   2HE   LYS  13          1HE       LYS  13  -0.524  -9.628  -6.055
   78   1HZ   LYS  13          2HZ       LYS  13  -3.358  -9.726  -6.935
   79   2HZ   LYS  13          1HZ       LYS  13  -2.302  -8.464  -7.344
   80   3HZ   LYS  13          3HZ       LYS  13  -1.972 -10.042  -7.854
   81    H    LYS  14           H        LYS  14   3.387 -10.284  -3.746
   82    HA   LYS  14           HA       LYS  14   5.254 -12.353  -4.677
   83   1HB   LYS  14          2HB       LYS  14   6.211 -10.672  -6.214
   84   2HB   LYS  14          1HB       LYS  14   4.539 -11.050  -6.586
   85   1HG   LYS  14          2HG       LYS  14   3.933  -8.949  -5.285
   86   2HG   LYS  14          1HG       LYS  14   5.654  -8.560  -5.336
   87   1HD   LYS  14          2HD       LYS  14   3.798  -8.933  -7.684
   88   2HD   LYS  14          1HD       LYS  14   4.585  -7.441  -7.162
   89   1HE   LYS  14          2HE       LYS  14   6.761  -8.383  -7.700
   90   2HE   LYS  14          1HE       LYS  14   6.003  -9.908  -8.158
   91   1HZ   LYS  14          1HZ       LYS  14   4.750  -8.596  -9.865
   92   2HZ   LYS  14          3HZ       LYS  14   5.768  -7.284  -9.519
   93   3HZ   LYS  14          2HZ       LYS  14   6.421  -8.721 -10.134
   94    H    LEU  15           H        LEU  15   7.333 -10.164  -4.907
   95    HA   LEU  15           HA       LEU  15   8.319 -10.382  -2.232
   96   1HB   LEU  15          2HB       LEU  15   9.340  -8.844  -4.611
   97   2HB   LEU  15          1HB       LEU  15  10.200  -8.996  -3.091
   98    HG   LEU  15           HG       LEU  15   9.498 -11.268  -4.955
   99   1HD1  LEU  15          2HD1      LEU  15  12.130  -9.969  -4.273
  100   2HD1  LEU  15          1HD1      LEU  15  11.919 -11.396  -5.290
  101   3HD1  LEU  15          3HD1      LEU  15  11.273  -9.838  -5.810
  102   1HD2  LEU  15          3HD2      LEU  15  11.047 -11.254  -2.372
  103   2HD2  LEU  15          2HD2      LEU  15   9.464 -11.984  -2.626
  104   3HD2  LEU  15          1HD2      LEU  15  10.879 -12.630  -3.458
  105    H    CYS  16           H        CYS  16   5.844  -8.908  -2.370
  106    HA   CYS  16           HA       CYS  16   6.564  -6.151  -1.823
  107   1HB   CYS  16          2HB       CYS  16   3.958  -6.204  -1.264
  108   2HB   CYS  16          1HB       CYS  16   4.562  -6.105  -2.911
  109    H    ARG  17           H        ARG  17   6.491  -5.166   0.176
  110    HA   ARG  17           HA       ARG  17   6.726  -7.021   2.418
  111   1HB   ARG  17          2HB       ARG  17   7.283  -4.064   2.514
  112   2HB   ARG  17          1HB       ARG  17   7.920  -5.327   3.560
  113   1HG   ARG  17          2HG       ARG  17   8.616  -4.923   0.654
  114   2HG   ARG  17          1HG       ARG  17   9.620  -4.482   2.040
  115   1HD   ARG  17          2HD       ARG  17   9.832  -6.794   2.680
  116   2HD   ARG  17          1HD       ARG  17   8.700  -7.282   1.415
  117    HE   ARG  17           HE       ARG  17  11.008  -5.867   0.425
  118   1HH1  ARG  17          1HH1      ARG  17   9.770  -9.004   1.365
  119   2HH1  ARG  17          2HH1      ARG  17  10.842  -9.877   0.314
  120   1HH2  ARG  17          1HH2      ARG  17  12.424  -6.992  -0.917
  121   2HH2  ARG  17          2HH2      ARG  17  12.372  -8.736  -0.980
  122    H    GLY  18           H        GLY  18   4.419  -7.394   2.574
  123   1HA   GLY  18          1HA       GLY  18   3.108  -5.737   4.452
  124   2HA   GLY  18          2HA       GLY  18   2.361  -7.034   3.521
  125    H    PHE  19           H        PHE  19   2.192  -6.384   1.069
  126    HA   PHE  19           HA       PHE  19   1.023  -3.685   0.967
  127   1HB   PHE  19          2HB       PHE  19   3.304  -4.007  -0.209
  128   2HB   PHE  19          1HB       PHE  19   2.409  -4.971  -1.384
  129    HD1  PHE  19          1HD       PHE  19   1.404  -3.955  -3.183
  130    HD2  PHE  19          2HD       PHE  19   2.445  -1.604   0.202
  131    HE1  PHE  19          1HE       PHE  19   0.782  -1.920  -4.410
  132    HE2  PHE  19          2HE       PHE  19   1.824   0.440  -1.014
  133    HZ   PHE  19           HZ       PHE  19   1.054   0.311  -3.306
  134    H    LEU  21           H        LEU  21  -2.240  -3.454   0.861
  135    HA   LEU  21           HA       LEU  21  -3.739  -5.172   2.578
  136   1HB   LEU  21          2HB       LEU  21  -2.990  -2.268   2.907
  137   2HB   LEU  21          1HB       LEU  21  -3.599  -3.314   4.175
  138    HG   LEU  21           HG       LEU  21  -0.980  -3.694   2.713
  139   1HD1  LEU  21          3HD1      LEU  21  -1.553  -2.687   5.497
  140   2HD1  LEU  21          2HD1      LEU  21   0.046  -3.055   4.856
  141   3HD1  LEU  21          1HD1      LEU  21  -0.907  -1.744   4.157
  142   1HD2  LEU  21          1HD2      LEU  21  -1.962  -5.800   3.445
  143   2HD2  LEU  21          3HD2      LEU  21  -0.544  -5.396   4.418
  144   3HD2  LEU  21          2HD2      LEU  21  -2.163  -5.155   5.075
  145    H    CYS  23           H        CYS  23  -5.814  -4.241  -0.691
  146    HA   CYS  23           HA       CYS  23  -6.969  -1.975  -2.004
  147   1HB   CYS  23          2HB       CYS  23  -5.422  -2.778  -3.904
  148   2HB   CYS  23          1HB       CYS  23  -4.680  -2.230  -2.401
  149    H    GLY  24           H        GLY  24  -6.756  -5.432  -2.882
  150   1HA   GLY  24          1HA       GLY  24  -8.015  -6.459  -4.623
  151   2HA   GLY  24          2HA       GLY  24  -9.080  -5.061  -4.633
  152    H    CYS  25           H        CYS  25 -10.162  -4.747  -2.333
  153    HA   CYS  25           HA       CYS  25 -11.623  -7.199  -1.869
  154   1HB   CYS  25          2HB       CYS  25 -11.230  -7.309   0.500
  155   2HB   CYS  25          1HB       CYS  25  -9.677  -7.349  -0.323
  156    H    HIS  26           H        HIS  26 -13.616  -6.876  -0.883
  157    HA   HIS  26           HA       HIS  26 -14.361  -4.539   0.506
  158   1HB   HIS  26          2HB       HIS  26 -14.345  -3.723  -1.932
  159   2HB   HIS  26          1HB       HIS  26 -15.734  -4.775  -2.175
  160    HD1  HIS  26          1HD       HIS  26 -14.780  -1.449  -0.959
  161    HD2  HIS  26          2HD       HIS  26 -18.059  -3.985  -0.621
  162    HE1  HIS  26          1HE       HIS  26 -16.685  -0.001  -0.170
  163    HE2  HIS  26          2HE       HIS  26 -18.700  -1.513  -0.243
  164    H    PHE  27           H        PHE  27 -14.415  -7.149   1.117
  165    HA   PHE  27           HA       PHE  27 -17.237  -7.691   1.425
  166   1HB   PHE  27          2HB       PHE  27 -16.599  -8.773  -0.735
  167   2HB   PHE  27          1HB       PHE  27 -15.416  -9.735   0.135
  168    HD1  PHE  27          1HD       PHE  27 -19.022  -9.105  -0.302
  169    HD2  PHE  27          2HD       PHE  27 -16.062 -11.685   1.335
  170    HE1  PHE  27          1HE       PHE  27 -20.747 -10.805   0.118
  171    HE2  PHE  27          2HE       PHE  27 -17.785 -13.387   1.758
  172    HZ   PHE  27           HZ       PHE  27 -20.127 -12.949   1.154
  173    H    GLY  29           H        GLY  29 -14.756 -10.822   3.328
  174   1HA   GLY  29          1HA       GLY  29 -15.757 -13.413   4.016
  175   2HA   GLY  29          2HA       GLY  29 -14.206 -13.080   4.773
  176    H    LYS  30           H        LYS  30 -15.029 -14.986   2.600
  177    HA   LYS  30           HA       LYS  30 -13.143 -14.031   0.538
  178   1HB   LYS  30          2HB       LYS  30 -13.649 -16.891   1.377
  179   2HB   LYS  30          1HB       LYS  30 -12.485 -16.352   0.180
  180   1HG   LYS  30          2HG       LYS  30 -11.256 -15.148   1.917
  181   2HG   LYS  30          1HG       LYS  30 -12.413 -15.720   3.124
  182   1HD   LYS  30          2HD       LYS  30 -11.792 -18.047   2.546
  183   2HD   LYS  30          1HD       LYS  30 -10.569 -17.413   1.443
  184   1HE   LYS  30          2HE       LYS  30  -9.505 -16.243   3.334
  185   2HE   LYS  30          1HE       LYS  30 -10.692 -16.963   4.424
  186   1HZ   LYS  30          1HZ       LYS  30  -9.867 -19.162   3.766
  187   2HZ   LYS  30          3HZ       LYS  30  -8.687 -18.428   2.792
  188   3HZ   LYS  30          2HZ       LYS  30  -8.653 -18.209   4.475
  189    H    LYS  31           H        LYS  31 -13.749 -14.121  -1.529
  190    HA   LYS  31           HA       LYS  31 -16.056 -15.660  -2.361
  191   1HB   LYS  31          2HB       LYS  31 -17.045 -13.558  -1.501
  192   2HB   LYS  31          1HB       LYS  31 -16.035 -12.642  -2.609
  193   1HG   LYS  31          2HG       LYS  31 -18.288 -12.847  -3.473
  194   2HG   LYS  31          1HG       LYS  31 -17.151 -13.711  -4.511
  195   1HD   LYS  31          2HD       LYS  31 -19.151 -15.040  -4.197
  196   2HD   LYS  31          1HD       LYS  31 -17.787 -15.822  -3.403
  197   1HE   LYS  31          2HE       LYS  31 -18.533 -14.854  -1.254
  198   2HE   LYS  31          1HE       LYS  31 -19.925 -14.152  -2.078
  199   1HZ   LYS  31          1HZ       LYS  31 -20.589 -16.431  -2.705
  200   2HZ   LYS  31          3HZ       LYS  31 -19.325 -17.043  -1.753
  201   3HZ   LYS  31          2HZ       LYS  31 -20.590 -16.176  -1.035

  No H/Q in entry =         201
  Start of MODEL   16
    1    H    ALA   2           H        ALA   2   9.883   4.233 -14.924
    2    HA   ALA   2           HA       ALA   2   9.036   6.129 -16.958
    3   1HB   ALA   2          3HB       ALA   2  10.168   4.659 -18.530
    4   2HB   ALA   2          1HB       ALA   2  10.423   3.466 -17.259
    5   3HB   ALA   2          2HB       ALA   2  11.224   5.035 -17.171
    6    H    ILE   4           H        ILE   4   6.950   2.091 -17.653
    7    HA   ILE   4           HA       ILE   4   6.381   0.542 -20.042
    8    HB   ILE   4           HB       ILE   4   7.377  -1.360 -18.811
    9   1HG1  ILE   4          2HG1      ILE   4   7.889   0.669 -16.627
   10   2HG1  ILE   4          1HG1      ILE   4   6.695  -0.623 -16.539
   11   1HG2  ILE   4          2HG2      ILE   4   9.021   1.165 -18.846
   12   2HG2  ILE   4          1HG2      ILE   4   9.674  -0.470 -18.730
   13   3HG2  ILE   4          3HG2      ILE   4   8.800   0.029 -20.179
   14   1HD1  ILE   4          2HD1      ILE   4   9.673  -0.983 -16.788
   15   2HD1  ILE   4          1HD1      ILE   4   8.717  -1.188 -15.320
   16   3HD1  ILE   4          3HD1      ILE   4   8.479  -2.278 -16.683
   17    H    VAL   5           H        VAL   5   5.164  -1.466 -19.938
   18    HA   VAL   5           HA       VAL   5   3.223  -2.585 -19.622
   19    HB   VAL   5           HB       VAL   5   3.318  -1.394 -16.844
   20   1HG1  VAL   5          2HG1      VAL   5   1.018  -2.000 -17.491
   21   2HG1  VAL   5          1HG1      VAL   5   1.571  -3.626 -17.886
   22   3HG1  VAL   5          3HG1      VAL   5   1.648  -3.050 -16.217
   23   1HG2  VAL   5          2HG2      VAL   5   5.179  -2.890 -17.358
   24   2HG2  VAL   5          1HG2      VAL   5   4.087  -3.622 -16.182
   25   3HG2  VAL   5          3HG2      VAL   5   4.042  -4.137 -17.871
   26    H    LYS   6           H        LYS   6   1.623  -1.923 -20.839
   27    HA   LYS   6           HA       LYS   6   0.745   0.706 -21.117
   28   1HB   LYS   6          2HB       LYS   6   0.439  -1.315 -22.684
   29   2HB   LYS   6          1HB       LYS   6  -0.968  -1.700 -21.702
   30   1HG   LYS   6          2HG       LYS   6  -1.600  -0.486 -23.706
   31   2HG   LYS   6          1HG       LYS   6  -1.962   0.455 -22.264
   32   1HD   LYS   6          2HD       LYS   6  -0.975   1.816 -24.065
   33   2HD   LYS   6          1HD       LYS   6   0.010   1.817 -22.608
   34   1HE   LYS   6          2HE       LYS   6   1.418   1.592 -24.572
   35   2HE   LYS   6          1HE       LYS   6   1.472   0.118 -23.608
   36   1HZ   LYS   6          2HZ       LYS   6  -0.116  -0.888 -25.137
   37   2HZ   LYS   6          1HZ       LYS   6  -0.123   0.529 -26.077
   38   3HZ   LYS   6          3HZ       LYS   6   1.293  -0.398 -25.943
   39    H    ILE   9           H        ILE   9  -1.227   1.046 -14.741
   40    HA   ILE   9           HA       ILE   9  -0.133   0.496 -12.240
   41    HB   ILE   9           HB       ILE   9  -2.143  -0.968 -11.958
   42   1HG1  ILE   9          2HG1      ILE   9  -2.803  -0.005 -14.745
   43   2HG1  ILE   9          1HG1      ILE   9  -2.355  -1.656 -14.329
   44   1HG2  ILE   9          1HG2      ILE   9  -2.602   1.818 -13.001
   45   2HG2  ILE   9          3HG2      ILE   9  -3.737   0.897 -12.014
   46   3HG2  ILE   9          2HG2      ILE   9  -2.178   1.384 -11.345
   47   1HD1  ILE   9          2HD1      ILE   9  -4.797  -0.195 -13.351
   48   2HD1  ILE   9          1HD1      ILE   9  -4.758  -1.428 -14.612
   49   3HD1  ILE   9          3HD1      ILE   9  -4.352  -1.853 -12.946
   50    H    LYS  10           H        LYS  10   1.294  -0.946 -11.663
   51    HA   LYS  10           HA       LYS  10   1.143  -3.675 -12.624
   52   1HB   LYS  10          2HB       LYS  10   3.652  -3.649 -13.095
   53   2HB   LYS  10          1HB       LYS  10   2.619  -2.883 -14.293
   54   1HG   LYS  10          2HG       LYS  10   3.140  -0.691 -13.315
   55   2HG   LYS  10          1HG       LYS  10   4.216  -1.481 -12.163
   56   1HD   LYS  10          2HD       LYS  10   5.697  -2.170 -13.878
   57   2HD   LYS  10          1HD       LYS  10   4.543  -1.730 -15.143
   58   1HE   LYS  10          2HE       LYS  10   5.842   0.212 -13.233
   59   2HE   LYS  10          1HE       LYS  10   6.383  -0.092 -14.886
   60   1HZ   LYS  10          2HZ       LYS  10   3.650   0.851 -14.206
   61   2HZ   LYS  10          1HZ       LYS  10   4.929   1.891 -14.619
   62   3HZ   LYS  10          3HZ       LYS  10   4.356   0.758 -15.748
   63    H    ALA  11           H        ALA  11   1.747  -5.088 -11.040
   64    HA   ALA  11           HA       ALA  11   3.247  -4.041  -8.749
   65   1HB   ALA  11          1HB       ALA  11   0.887  -3.681  -8.214
   66   2HB   ALA  11          3HB       ALA  11   0.566  -5.395  -8.473
   67   3HB   ALA  11          2HB       ALA  11   1.616  -4.885  -7.155
   68    H    LYS  13           H        LYS  13   6.797  -6.488  -7.119
   69    HA   LYS  13           HA       LYS  13   8.337  -7.151  -9.475
   70   1HB   LYS  13          2HB       LYS  13   9.056  -5.696  -6.926
   71   2HB   LYS  13          1HB       LYS  13  10.205  -6.000  -8.218
   72   1HG   LYS  13          2HG       LYS  13   8.754  -4.721  -9.758
   73   2HG   LYS  13          1HG       LYS  13   7.694  -4.344  -8.399
   74   1HD   LYS  13          2HD       LYS  13   9.545  -3.240  -7.249
   75   2HD   LYS  13          1HD       LYS  13  10.623  -3.642  -8.585
   76   1HE   LYS  13          2HE       LYS  13   9.917  -1.346  -8.792
   77   2HE   LYS  13          1HE       LYS  13   9.213  -2.295 -10.094
   78   1HZ   LYS  13          2HZ       LYS  13   7.752  -1.636  -7.600
   79   2HZ   LYS  13          1HZ       LYS  13   7.676  -0.686  -9.004
   80   3HZ   LYS  13          3HZ       LYS  13   7.114  -2.286  -9.021
   81    H    LYS  14           H        LYS  14   9.034  -7.634  -5.995
   82    HA   LYS  14           HA       LYS  14   9.970 -10.343  -6.678
   83   1HB   LYS  14          2HB       LYS  14  11.368  -8.454  -4.773
   84   2HB   LYS  14          1HB       LYS  14  11.857 -10.101  -5.148
   85   1HG   LYS  14          2HG       LYS  14  12.203  -9.402  -7.506
   86   2HG   LYS  14          1HG       LYS  14  11.861  -7.741  -7.013
   87   1HD   LYS  14          2HD       LYS  14  14.141  -7.724  -6.853
   88   2HD   LYS  14          1HD       LYS  14  13.735  -8.262  -5.226
   89   1HE   LYS  14          2HE       LYS  14  14.441 -10.082  -7.532
   90   2HE   LYS  14          1HE       LYS  14  15.559  -9.578  -6.265
   91   1HZ   LYS  14          3HZ       LYS  14  14.067 -10.645  -4.640
   92   2HZ   LYS  14          2HZ       LYS  14  13.115 -11.224  -5.914
   93   3HZ   LYS  14          1HZ       LYS  14  14.719 -11.739  -5.758
   94    H    LEU  15           H        LEU  15   9.117  -8.162  -3.999
   95    HA   LEU  15           HA       LEU  15   7.858 -10.472  -2.663
   96   1HB   LEU  15          2HB       LEU  15   9.417  -8.223  -1.388
   97   2HB   LEU  15          1HB       LEU  15   8.459  -9.389  -0.496
   98    HG   LEU  15           HG       LEU  15  10.869 -10.048  -2.191
   99   1HD1  LEU  15          3HD1      LEU  15  10.527  -9.961   0.800
  100   2HD1  LEU  15          2HD1      LEU  15  11.959 -10.530  -0.054
  101   3HD1  LEU  15          1HD1      LEU  15  11.477  -8.837  -0.171
  102   1HD2  LEU  15          2HD2      LEU  15   9.236 -11.863  -2.141
  103   2HD2  LEU  15          1HD2      LEU  15  10.672 -12.283  -1.211
  104   3HD2  LEU  15          3HD2      LEU  15   9.194 -11.790  -0.382
  105    H    CYS  16           H        CYS  16   7.832  -7.002  -3.221
  106    HA   CYS  16           HA       CYS  16   6.288  -5.378  -2.941
  107   1HB   CYS  16          2HB       CYS  16   4.624  -7.780  -3.619
  108   2HB   CYS  16          1HB       CYS  16   3.938  -6.160  -3.531
  109    H    ARG  17           H        ARG  17   7.177  -6.428  -0.526
  110    HA   ARG  17           HA       ARG  17   5.044  -7.175   1.184
  111   1HB   ARG  17          2HB       ARG  17   6.688  -6.853   3.005
  112   2HB   ARG  17          1HB       ARG  17   7.291  -7.879   1.714
  113   1HG   ARG  17          2HG       ARG  17   8.591  -6.020   0.828
  114   2HG   ARG  17          1HG       ARG  17   7.967  -4.965   2.089
  115   1HD   ARG  17          2HD       ARG  17   8.967  -6.576   3.754
  116   2HD   ARG  17          1HD       ARG  17   9.773  -7.353   2.389
  117    HE   ARG  17           HE       ARG  17  10.215  -4.514   2.511
  118   1HH1  ARG  17          1HH1      ARG  17  11.336  -7.640   3.647
  119   2HH1  ARG  17          2HH1      ARG  17  12.923  -7.060   4.044
  120   1HH2  ARG  17          1HH2      ARG  17  12.291  -3.755   3.050
  121   2HH2  ARG  17          2HH2      ARG  17  13.466  -4.845   3.733
  122    H    GLY  18           H        GLY  18   3.427  -5.814   1.413
  123   1HA   GLY  18          1HA       GLY  18   4.034  -2.987   2.030
  124   2HA   GLY  18          2HA       GLY  18   2.866  -3.904   2.975
  125    H    PHE  19           H        PHE  19   3.109  -4.500  -0.397
  126    HA   PHE  19           HA       PHE  19   0.882  -2.719  -1.024
  127   1HB   PHE  19          2HB       PHE  19   2.901  -2.917  -2.543
  128   2HB   PHE  19          1HB       PHE  19   2.376  -4.558  -2.908
  129    HD1  PHE  19          1HD       PHE  19   2.070  -1.117  -3.783
  130    HD2  PHE  19          2HD       PHE  19   0.030  -4.853  -3.868
  131    HE1  PHE  19          1HE       PHE  19   0.589  -0.268  -5.555
  132    HE2  PHE  19          2HE       PHE  19  -1.447  -4.009  -5.644
  133    HZ   PHE  19           HZ       PHE  19  -1.142  -1.672  -6.492
  134    H    LEU  21           H        LEU  21  -2.686  -3.423   0.537
  135    HA   LEU  21           HA       LEU  21  -3.803  -5.172   2.628
  136   1HB   LEU  21          2HB       LEU  21  -1.851  -3.784   3.308
  137   2HB   LEU  21          1HB       LEU  21  -2.774  -2.347   2.914
  138    HG   LEU  21           HG       LEU  21  -4.395  -2.902   4.676
  139   1HD1  LEU  21          3HD1      LEU  21  -4.173  -5.332   4.636
  140   2HD1  LEU  21          2HD1      LEU  21  -2.538  -5.201   5.282
  141   3HD1  LEU  21          1HD1      LEU  21  -3.918  -4.697   6.259
  142   1HD2  LEU  21          2HD2      LEU  21  -2.479  -1.468   5.188
  143   2HD2  LEU  21          1HD2      LEU  21  -2.945  -2.439   6.583
  144   3HD2  LEU  21          3HD2      LEU  21  -1.531  -2.888   5.626
  145    H    CYS  23           H        CYS  23  -6.023  -4.418  -0.684
  146    HA   CYS  23           HA       CYS  23  -6.588  -1.999  -2.110
  147   1HB   CYS  23          2HB       CYS  23  -5.350  -4.451  -3.321
  148   2HB   CYS  23          1HB       CYS  23  -5.055  -2.768  -3.719
  149    H    GLY  24           H        GLY  24  -7.096  -5.404  -3.036
  150   1HA   GLY  24          1HA       GLY  24  -8.459  -5.897  -4.995
  151   2HA   GLY  24          2HA       GLY  24  -9.474  -4.534  -4.542
  152    H    CYS  25           H        CYS  25  -9.954  -4.873  -1.951
  153    HA   CYS  25           HA       CYS  25 -10.946  -7.615  -1.626
  154   1HB   CYS  25          2HB       CYS  25 -11.161  -6.837   0.813
  155   2HB   CYS  25          1HB       CYS  25  -9.550  -7.149   0.177
  156    H    HIS  26           H        HIS  26 -13.080  -7.993  -1.074
  157    HA   HIS  26           HA       HIS  26 -14.857  -5.653  -1.105
  158   1HB   HIS  26          2HB       HIS  26 -14.731  -7.119  -3.284
  159   2HB   HIS  26          1HB       HIS  26 -15.710  -8.247  -2.350
  160    HD1  HIS  26          1HD       HIS  26 -15.987  -5.437  -4.567
  161    HD2  HIS  26          2HD       HIS  26 -18.198  -6.919  -1.364
  162    HE1  HIS  26          1HE       HIS  26 -18.258  -4.368  -4.751
  163    HE2  HIS  26          2HE       HIS  26 -19.583  -5.264  -2.803
  164    H    PHE  27           H        PHE  27 -15.441  -5.595   0.980
  165    HA   PHE  27           HA       PHE  27 -15.974  -8.055   2.426
  166   1HB   PHE  27          2HB       PHE  27 -16.045  -5.155   3.270
  167   2HB   PHE  27          1HB       PHE  27 -16.419  -6.496   4.345
  168    HD1  PHE  27          1HD       PHE  27 -14.644  -8.132   4.943
  169    HD2  PHE  27          2HD       PHE  27 -13.815  -4.587   2.742
  170    HE1  PHE  27          1HE       PHE  27 -12.256  -8.368   5.474
  171    HE2  PHE  27          2HE       PHE  27 -11.420  -4.813   3.276
  172    HZ   PHE  27           HZ       PHE  27 -10.646  -6.727   4.655
  173    H    GLY  29           H        GLY  29 -20.503  -5.853   2.858
  174   1HA   GLY  29          1HA       GLY  29 -21.984  -6.575   5.293
  175   2HA   GLY  29          2HA       GLY  29 -22.211  -5.101   4.363
  176    H    LYS  30           H        LYS  30 -21.184  -3.308   5.030
  177    HA   LYS  30           HA       LYS  30 -18.674  -3.455   6.441
  178   1HB   LYS  30          2HB       LYS  30 -19.207  -1.657   4.801
  179   2HB   LYS  30          1HB       LYS  30 -20.424  -1.047   5.920
  180   1HG   LYS  30          2HG       LYS  30 -18.657  -0.687   7.608
  181   2HG   LYS  30          1HG       LYS  30 -17.461  -1.199   6.410
  182   1HD   LYS  30          2HD       LYS  30 -17.552   1.209   6.462
  183   2HD   LYS  30          1HD       LYS  30 -18.216   0.637   4.931
  184   1HE   LYS  30          2HE       LYS  30 -20.483   0.900   5.820
  185   2HE   LYS  30          1HE       LYS  30 -19.815   1.472   7.347
  186   1HZ   LYS  30          1HZ       LYS  30 -18.798   3.328   6.109
  187   2HZ   LYS  30          3HZ       LYS  30 -19.575   2.793   4.699
  188   3HZ   LYS  30          2HZ       LYS  30 -20.491   3.331   6.017
  189    H    LYS  31           H        LYS  31 -18.787  -4.212   8.444
  190    HA   LYS  31           HA       LYS  31 -20.256  -2.647  10.404
  191   1HB   LYS  31          2HB       LYS  31 -21.793  -4.498   9.870
  192   2HB   LYS  31          1HB       LYS  31 -20.515  -5.660  10.211
  193   1HG   LYS  31          2HG       LYS  31 -20.452  -4.829  12.548
  194   2HG   LYS  31          1HG       LYS  31 -21.827  -3.792  12.172
  195   1HD   LYS  31          2HD       LYS  31 -23.209  -5.708  11.698
  196   2HD   LYS  31          1HD       LYS  31 -21.832  -6.794  11.891
  197   1HE   LYS  31          2HE       LYS  31 -22.956  -5.036  14.062
  198   2HE   LYS  31          1HE       LYS  31 -23.323  -6.749  13.864
  199   1HZ   LYS  31          2HZ       LYS  31 -20.569  -5.705  14.244
  200   2HZ   LYS  31          1HZ       LYS  31 -21.551  -6.236  15.520
  201   3HZ   LYS  31          3HZ       LYS  31 -21.086  -7.318  14.304

  No H/Q in entry =         201
  Start of MODEL   17
    1    H    ALA   2           H        ALA   2  -0.092  -8.430 -25.401
    2    HA   ALA   2           HA       ALA   2  -2.155  -7.359 -27.219
    3   1HB   ALA   2          3HB       ALA   2  -1.953  -6.838 -24.253
    4   2HB   ALA   2          2HB       ALA   2  -3.123  -6.109 -25.360
    5   3HB   ALA   2          1HB       ALA   2  -3.163  -7.846 -25.052
    6    H    ILE   4           H        ILE   4   3.397  -5.715 -25.211
    7    HA   ILE   4           HA       ILE   4   4.349  -4.808 -23.354
    8    HB   ILE   4           HB       ILE   4   3.405  -2.114 -24.355
    9   1HG1  ILE   4          2HG1      ILE   4   4.448  -3.313 -26.225
   10   2HG1  ILE   4          1HG1      ILE   4   5.473  -1.991 -25.679
   11   1HG2  ILE   4          3HG2      ILE   4   4.438  -2.131 -22.138
   12   2HG2  ILE   4          2HG2      ILE   4   5.856  -2.947 -22.803
   13   3HG2  ILE   4          1HG2      ILE   4   5.466  -1.305 -23.316
   14   1HD1  ILE   4          1HD1      ILE   4   6.861  -3.596 -24.456
   15   2HD1  ILE   4          3HD1      ILE   4   5.845  -4.911 -25.042
   16   3HD1  ILE   4          2HD1      ILE   4   6.795  -3.951 -26.179
   17    H    VAL   5           H        VAL   5   1.750  -5.796 -23.090
   18    HA   VAL   5           HA       VAL   5   0.179  -3.917 -21.587
   19    HB   VAL   5           HB       VAL   5  -0.976  -5.577 -22.927
   20   1HG1  VAL   5          2HG1      VAL   5   0.626  -7.395 -22.818
   21   2HG1  VAL   5          1HG1      VAL   5   0.242  -7.653 -21.119
   22   3HG1  VAL   5          3HG1      VAL   5  -0.980  -7.950 -22.349
   23   1HG2  VAL   5          3HG2      VAL   5  -2.111  -4.735 -20.943
   24   2HG2  VAL   5          2HG2      VAL   5  -2.575  -6.403 -21.277
   25   3HG2  VAL   5          1HG2      VAL   5  -1.431  -6.050 -19.981
   26    H    LYS   6           H        LYS   6   1.994  -3.438 -20.170
   27    HA   LYS   6           HA       LYS   6   2.380  -5.389 -18.007
   28   1HB   LYS   6          2HB       LYS   6   4.287  -3.908 -17.353
   29   2HB   LYS   6          1HB       LYS   6   4.446  -4.591 -18.972
   30   1HG   LYS   6          2HG       LYS   6   3.691  -2.492 -19.941
   31   2HG   LYS   6          1HG       LYS   6   3.503  -1.805 -18.332
   32   1HD   LYS   6          2HD       LYS   6   5.888  -2.065 -17.921
   33   2HD   LYS   6          1HD       LYS   6   6.091  -2.815 -19.512
   34   1HE   LYS   6          2HE       LYS   6   5.397  -0.765 -20.600
   35   2HE   LYS   6          1HE       LYS   6   5.083  -0.012 -19.035
   36   1HZ   LYS   6          1HZ       LYS   6   7.448  -0.241 -18.510
   37   2HZ   LYS   6          3HZ       LYS   6   7.730  -0.914 -20.044
   38   3HZ   LYS   6          2HZ       LYS   6   7.208   0.692 -19.912
   39    H    ILE   9           H        ILE   9   0.622  -3.696 -13.717
   40    HA   ILE   9           HA       ILE   9   1.591  -6.074 -12.452
   41    HB   ILE   9           HB       ILE   9   3.162  -4.799 -13.745
   42   1HG1  ILE   9          2HG1      ILE   9   4.958  -4.428 -12.034
   43   2HG1  ILE   9          1HG1      ILE   9   3.735  -4.686 -10.795
   44   1HG2  ILE   9          3HG2      ILE   9   2.594  -2.506 -11.888
   45   2HG2  ILE   9          2HG2      ILE   9   3.937  -2.555 -13.025
   46   3HG2  ILE   9          1HG2      ILE   9   2.276  -2.584 -13.618
   47   1HD1  ILE   9          2HD1      ILE   9   4.568  -6.689 -12.883
   48   2HD1  ILE   9          1HD1      ILE   9   5.051  -6.694 -11.188
   49   3HD1  ILE   9          3HD1      ILE   9   3.360  -6.945 -11.624
   50    H    LYS  10           H        LYS  10  -0.240  -6.037 -10.954
   51    HA   LYS  10           HA       LYS  10   0.391  -4.483  -8.533
   52   1HB   LYS  10          2HB       LYS  10  -2.195  -5.835  -9.355
   53   2HB   LYS  10          1HB       LYS  10  -1.922  -5.072  -7.794
   54   1HG   LYS  10          2HG       LYS  10  -1.797  -3.646 -10.445
   55   2HG   LYS  10          1HG       LYS  10  -3.197  -3.672  -9.373
   56   1HD   LYS  10          2HD       LYS  10  -1.889  -2.583  -7.623
   57   2HD   LYS  10          1HD       LYS  10  -0.469  -2.588  -8.671
   58   1HE   LYS  10          2HE       LYS  10  -1.669  -1.181 -10.280
   59   2HE   LYS  10          1HE       LYS  10  -3.069  -1.155  -9.206
   60   1HZ   LYS  10          2HZ       LYS  10  -0.394  -0.189  -8.371
   61   2HZ   LYS  10          1HZ       LYS  10  -1.551   0.820  -9.096
   62   3HZ   LYS  10          3HZ       LYS  10  -1.884   0.075  -7.607
   63    H    ALA  11           H        ALA  11   1.983  -5.804  -7.764
   64    HA   ALA  11           HA       ALA  11   1.520  -8.647  -7.450
   65   1HB   ALA  11          2HB       ALA  11   3.749  -7.922  -8.064
   66   2HB   ALA  11          3HB       ALA  11   3.785  -8.657  -6.458
   67   3HB   ALA  11          1HB       ALA  11   3.844  -6.904  -6.621
   68    H    LYS  13           H        LYS  13  -0.826  -7.842  -3.684
   69    HA   LYS  13           HA       LYS  13  -2.971  -8.526  -3.508
   70   1HB   LYS  13          2HB       LYS  13  -1.729 -11.092  -4.492
   71   2HB   LYS  13          1HB       LYS  13  -3.458 -10.795  -4.430
   72   1HG   LYS  13          2HG       LYS  13  -3.220  -8.960  -6.003
   73   2HG   LYS  13          1HG       LYS  13  -1.469  -9.193  -6.031
   74   1HD   LYS  13          2HD       LYS  13  -1.780 -11.445  -6.935
   75   2HD   LYS  13          1HD       LYS  13  -3.528 -11.228  -6.881
   76   1HE   LYS  13          2HE       LYS  13  -1.630  -9.536  -8.504
   77   2HE   LYS  13          1HE       LYS  13  -2.561 -10.892  -9.133
   78   1HZ   LYS  13          2HZ       LYS  13  -3.724  -8.449  -7.908
   79   2HZ   LYS  13          1HZ       LYS  13  -3.621  -8.748  -9.570
   80   3HZ   LYS  13          3HZ       LYS  13  -4.592  -9.734  -8.586
   81    H    LYS  14           H        LYS  14  -1.916 -11.763  -2.749
   82    HA   LYS  14           HA       LYS  14  -2.662 -11.386   0.051
   83   1HB   LYS  14          2HB       LYS  14  -3.981 -13.440   0.028
   84   2HB   LYS  14          1HB       LYS  14  -4.630 -12.275  -1.116
   85   1HG   LYS  14          2HG       LYS  14  -3.714 -13.482  -2.968
   86   2HG   LYS  14          1HG       LYS  14  -2.829 -14.564  -1.888
   87   1HD   LYS  14          2HD       LYS  14  -5.008 -15.336  -0.967
   88   2HD   LYS  14          1HD       LYS  14  -5.827 -14.337  -2.167
   89   1HE   LYS  14          2HE       LYS  14  -3.862 -16.508  -2.866
   90   2HE   LYS  14          1HE       LYS  14  -5.600 -16.765  -2.763
   91   1HZ   LYS  14          3HZ       LYS  14  -5.902 -15.086  -4.495
   92   2HZ   LYS  14          2HZ       LYS  14  -4.218 -14.896  -4.616
   93   3HZ   LYS  14          1HZ       LYS  14  -4.935 -16.373  -5.026
   94    H    LEU  15           H        LEU  15  -0.236 -11.973  -1.804
   95    HA   LEU  15           HA       LEU  15   0.656 -14.516  -0.654
   96   1HB   LEU  15          2HB       LEU  15   1.936 -12.769  -2.758
   97   2HB   LEU  15          1HB       LEU  15   2.500 -14.353  -2.268
   98    HG   LEU  15           HG       LEU  15  -0.137 -13.783  -3.617
   99   1HD1  LEU  15          1HD1      LEU  15   1.793 -13.468  -5.089
  100   2HD1  LEU  15          3HD1      LEU  15   2.369 -15.081  -4.669
  101   3HD1  LEU  15          2HD1      LEU  15   0.850 -14.887  -5.548
  102   1HD2  LEU  15          2HD2      LEU  15  -0.241 -15.710  -2.107
  103   2HD2  LEU  15          1HD2      LEU  15  -0.330 -16.206  -3.799
  104   3HD2  LEU  15          3HD2      LEU  15   1.175 -16.401  -2.897
  105    H    CYS  16           H        CYS  16   1.031 -11.156  -0.249
  106    HA   CYS  16           HA       CYS  16   3.344 -11.585   1.495
  107   1HB   CYS  16          2HB       CYS  16   4.284  -9.454   0.729
  108   2HB   CYS  16          1HB       CYS  16   4.105 -10.582  -0.604
  109    H    ARG  17           H        ARG  17   3.634  -9.710   3.011
  110    HA   ARG  17           HA       ARG  17   1.005  -8.682   3.845
  111   1HB   ARG  17          2HB       ARG  17   3.460  -9.118   5.564
  112   2HB   ARG  17          1HB       ARG  17   1.865  -8.638   6.119
  113   1HG   ARG  17          2HG       ARG  17   0.958 -10.797   5.449
  114   2HG   ARG  17          1HG       ARG  17   2.546 -11.281   4.837
  115   1HD   ARG  17          2HD       ARG  17   3.428 -10.870   7.161
  116   2HD   ARG  17          1HD       ARG  17   1.751 -10.697   7.688
  117    HE   ARG  17           HE       ARG  17   1.578 -13.066   6.598
  118   1HH1  ARG  17          1HH1      ARG  17   4.249 -11.760   8.455
  119   2HH1  ARG  17          2HH1      ARG  17   4.743 -13.304   9.077
  120   1HH2  ARG  17          1HH2      ARG  17   2.217 -15.106   7.425
  121   2HH2  ARG  17          2HH2      ARG  17   3.572 -15.213   8.514
  122    H    GLY  18           H        GLY  18   0.827  -6.634   3.174
  123   1HA   GLY  18          1HA       GLY  18   3.213  -4.935   3.110
  124   2HA   GLY  18          2HA       GLY  18   1.860  -4.426   4.113
  125    H    PHE  19           H        PHE  19   2.341  -5.684   0.810
  126    HA   PHE  19           HA       PHE  19   0.828  -3.366  -0.149
  127   1HB   PHE  19          2HB       PHE  19   3.098  -3.637  -1.073
  128   2HB   PHE  19          1HB       PHE  19   2.650  -5.225  -1.691
  129    HD1  PHE  19          1HD       PHE  19   1.122  -1.813  -1.784
  130    HD2  PHE  19          2HD       PHE  19   2.362  -5.255  -3.954
  131    HE1  PHE  19          1HE       PHE  19   0.325  -0.782  -3.872
  132    HE2  PHE  19          2HE       PHE  19   1.567  -4.228  -6.048
  133    HZ   PHE  19           HZ       PHE  19   0.546  -1.989  -6.003
  134    H    LEU  21           H        LEU  21  -2.355  -4.062   0.888
  135    HA   LEU  21           HA       LEU  21  -4.408  -5.707   2.136
  136   1HB   LEU  21          2HB       LEU  21  -2.721  -3.468   3.258
  137   2HB   LEU  21          1HB       LEU  21  -3.840  -4.453   4.178
  138    HG   LEU  21           HG       LEU  21  -1.329  -5.440   2.823
  139   1HD1  LEU  21          1HD1      LEU  21  -2.002  -5.008   5.725
  140   2HD1  LEU  21          3HD1      LEU  21  -0.540  -5.791   5.125
  141   3HD1  LEU  21          2HD1      LEU  21  -0.840  -4.089   4.770
  142   1HD2  LEU  21          3HD2      LEU  21  -3.313  -6.892   4.572
  143   2HD2  LEU  21          2HD2      LEU  21  -3.074  -7.144   2.837
  144   3HD2  LEU  21          1HD2      LEU  21  -1.787  -7.549   3.973
  145    H    CYS  23           H        CYS  23  -6.249  -4.088  -0.526
  146    HA   CYS  23           HA       CYS  23  -6.944  -1.740  -2.107
  147   1HB   CYS  23          2HB       CYS  23  -5.383  -2.768  -3.781
  148   2HB   CYS  23          1HB       CYS  23  -4.644  -2.370  -2.239
  149    H    GLY  24           H        GLY  24  -6.708  -5.163  -3.003
  150   1HA   GLY  24          1HA       GLY  24  -7.923  -6.179  -4.748
  151   2HA   GLY  24          2HA       GLY  24  -9.080  -4.853  -4.683
  152    H    CYS  25           H        CYS  25  -9.254  -5.012  -1.749
  153    HA   CYS  25           HA       CYS  25 -10.236  -7.609  -1.081
  154   1HB   CYS  25          2HB       CYS  25 -11.177  -6.132   0.897
  155   2HB   CYS  25          1HB       CYS  25  -9.476  -6.577   0.801
  156    H    HIS  26           H        HIS  26 -11.424  -5.384  -3.018
  157    HA   HIS  26           HA       HIS  26 -14.242  -5.888  -2.381
  158   1HB   HIS  26          2HB       HIS  26 -12.935  -3.936  -4.292
  159   2HB   HIS  26          1HB       HIS  26 -14.676  -4.195  -4.216
  160    HD1  HIS  26          1HD       HIS  26 -15.933  -2.848  -2.531
  161    HD2  HIS  26          2HD       HIS  26 -11.848  -2.913  -1.753
  162    HE1  HIS  26          1HE       HIS  26 -15.574  -1.248  -0.624
  163    HE2  HIS  26          2HE       HIS  26 -13.127  -1.455  -0.050
  164    H    PHE  27           H        PHE  27 -11.755  -7.174  -4.100
  165    HA   PHE  27           HA       PHE  27 -13.552  -8.411  -6.066
  166   1HB   PHE  27          2HB       PHE  27 -10.518  -8.404  -6.001
  167   2HB   PHE  27          1HB       PHE  27 -11.523  -9.126  -7.253
  168    HD1  PHE  27          1HD       PHE  27 -12.596  -7.768  -8.927
  169    HD2  PHE  27          2HD       PHE  27 -10.280  -5.992  -5.829
  170    HE1  PHE  27          1HE       PHE  27 -12.565  -5.646 -10.169
  171    HE2  PHE  27          2HE       PHE  27 -10.250  -3.866  -7.065
  172    HZ   PHE  27           HZ       PHE  27 -11.390  -3.691  -9.244
  173    H    GLY  29           H        GLY  29 -14.162 -12.494  -5.855
  174   1HA   GLY  29          1HA       GLY  29 -12.388 -14.699  -5.771
  175   2HA   GLY  29          2HA       GLY  29 -13.780 -14.536  -6.840
  176    H    LYS  30           H        LYS  30 -15.658 -14.180  -4.699
  177    HA   LYS  30           HA       LYS  30 -15.451 -16.612  -3.083
  178   1HB   LYS  30          2HB       LYS  30 -16.353 -13.985  -2.590
  179   2HB   LYS  30          1HB       LYS  30 -17.776 -15.013  -2.531
  180   1HG   LYS  30          2HG       LYS  30 -16.864 -14.793  -0.326
  181   2HG   LYS  30          1HG       LYS  30 -16.622 -16.448  -0.887
  182   1HD   LYS  30          2HD       LYS  30 -14.312 -15.976  -1.409
  183   2HD   LYS  30          1HD       LYS  30 -14.530 -14.273  -1.006
  184   1HE   LYS  30          2HE       LYS  30 -15.028 -14.902   1.312
  185   2HE   LYS  30          1HE       LYS  30 -14.782 -16.597   0.896
  186   1HZ   LYS  30          2HZ       LYS  30 -12.696 -14.510   0.578
  187   2HZ   LYS  30          1HZ       LYS  30 -12.839 -15.505   1.947
  188   3HZ   LYS  30          3HZ       LYS  30 -12.499 -16.186   0.430
  189    H    LYS  31           H        LYS  31 -17.381 -17.914  -2.770
  190    HA   LYS  31           HA       LYS  31 -19.121 -17.970  -5.140
  191   1HB   LYS  31          2HB       LYS  31 -18.316 -20.183  -3.233
  192   2HB   LYS  31          1HB       LYS  31 -19.583 -20.352  -4.444
  193   1HG   LYS  31          2HG       LYS  31 -17.964 -19.919  -6.216
  194   2HG   LYS  31          1HG       LYS  31 -16.687 -19.764  -5.003
  195   1HD   LYS  31          2HD       LYS  31 -17.041 -22.070  -4.308
  196   2HD   LYS  31          1HD       LYS  31 -18.381 -22.224  -5.448
  197   1HE   LYS  31          2HE       LYS  31 -15.503 -21.684  -6.184
  198   2HE   LYS  31          1HE       LYS  31 -16.307 -23.249  -6.277
  199   1HZ   LYS  31          3HZ       LYS  31 -17.936 -22.122  -7.824
  200   2HZ   LYS  31          2HZ       LYS  31 -16.854 -20.817  -7.878
  201   3HZ   LYS  31          1HZ       LYS  31 -16.366 -22.342  -8.432

  No H/Q in entry =         201
  Start of MODEL   18
    1    H    ALA   2           H        ALA   2  22.145   9.261  11.416
    2    HA   ALA   2           HA       ALA   2  24.812   9.552  10.278
    3   1HB   ALA   2          2HB       ALA   2  25.169   9.533  12.708
    4   2HB   ALA   2          1HB       ALA   2  24.291   8.007  12.822
    5   3HB   ALA   2          3HB       ALA   2  25.820   8.081  11.947
    6    H    ILE   4           H        ILE   4  26.482   5.210   8.018
    7    HA   ILE   4           HA       ILE   4  25.181   5.775   5.507
    8    HB   ILE   4           HB       ILE   4  27.984   4.727   5.982
    9   1HG1  ILE   4          2HG1      ILE   4  26.966   7.546   5.530
   10   2HG1  ILE   4          1HG1      ILE   4  27.627   6.913   7.033
   11   1HG2  ILE   4          1HG2      ILE   4  26.694   5.940   3.529
   12   2HG2  ILE   4          3HG2      ILE   4  28.408   5.555   3.690
   13   3HG2  ILE   4          2HG2      ILE   4  27.207   4.264   3.721
   14   1HD1  ILE   4          2HD1      ILE   4  29.134   7.223   4.450
   15   2HD1  ILE   4          1HD1      ILE   4  29.247   8.284   5.860
   16   3HD1  ILE   4          3HD1      ILE   4  29.790   6.609   5.966
   17    H    VAL   5           H        VAL   5  23.578   4.196   5.563
   18    HA   VAL   5           HA       VAL   5  24.536   1.561   4.680
   19    HB   VAL   5           HB       VAL   5  23.656   1.359   6.980
   20   1HG1  VAL   5          3HG1      VAL   5  21.076   2.383   5.807
   21   2HG1  VAL   5          2HG1      VAL   5  21.265   1.698   7.424
   22   3HG1  VAL   5          1HG1      VAL   5  22.085   3.203   6.993
   23   1HG2  VAL   5          2HG2      VAL   5  23.421  -0.532   5.457
   24   2HG2  VAL   5          1HG2      VAL   5  22.059  -0.444   6.579
   25   3HG2  VAL   5          3HG2      VAL   5  21.866   0.094   4.911
   26    H    LYS   6           H        LYS   6  23.292   0.618   3.027
   27    HA   LYS   6           HA       LYS   6  21.955   2.542   1.359
   28   1HB   LYS   6          2HB       LYS   6  23.475   0.781   0.461
   29   2HB   LYS   6          1HB       LYS   6  22.297  -0.433   0.938
   30   1HG   LYS   6          2HG       LYS   6  20.668   0.509  -0.588
   31   2HG   LYS   6          1HG       LYS   6  21.806   1.783  -1.031
   32   1HD   LYS   6          2HD       LYS   6  22.190  -1.177  -1.468
   33   2HD   LYS   6          1HD       LYS   6  21.791   0.017  -2.702
   34   1HE   LYS   6          2HE       LYS   6  23.910   1.147  -2.336
   35   2HE   LYS   6          1HE       LYS   6  24.300   0.031  -1.022
   36   1HZ   LYS   6          3HZ       LYS   6  24.292  -1.782  -2.621
   37   2HZ   LYS   6          2HZ       LYS   6  23.938  -0.694  -3.878
   38   3HZ   LYS   6          1HZ       LYS   6  25.419  -0.589  -3.064
   39    H    ILE   9           H        ILE   9  15.093   1.223   0.977
   40    HA   ILE   9           HA       ILE   9  12.461  -0.015   1.057
   41    HB   ILE   9           HB       ILE   9  11.765   2.434   1.436
   42   1HG1  ILE   9          2HG1      ILE   9  14.699   2.648   2.131
   43   2HG1  ILE   9          1HG1      ILE   9  13.924   3.429   0.755
   44   1HG2  ILE   9          2HG2      ILE   9  13.358   0.932   3.497
   45   2HG2  ILE   9          1HG2      ILE   9  12.241   2.252   3.845
   46   3HG2  ILE   9          3HG2      ILE   9  11.639   0.744   3.159
   47   1HD1  ILE   9          1HD1      ILE   9  12.533   4.722   2.281
   48   2HD1  ILE   9          3HD1      ILE   9  13.324   3.943   3.653
   49   3HD1  ILE   9          2HD1      ILE   9  14.251   4.986   2.580
   50    H    LYS  10           H        LYS  10  11.688  -0.454  -0.877
   51    HA   LYS  10           HA       LYS  10  12.107   1.534  -3.017
   52   1HB   LYS  10          2HB       LYS  10  11.948  -0.335  -4.621
   53   2HB   LYS  10          1HB       LYS  10  13.296  -0.525  -3.509
   54   1HG   LYS  10          2HG       LYS  10  12.024  -2.130  -2.208
   55   2HG   LYS  10          1HG       LYS  10  10.635  -1.912  -3.266
   56   1HD   LYS  10          2HD       LYS  10  11.840  -3.942  -3.846
   57   2HD   LYS  10          1HD       LYS  10  11.955  -2.761  -5.156
   58   1HE   LYS  10          2HE       LYS  10  14.182  -2.130  -4.409
   59   2HE   LYS  10          1HE       LYS  10  14.069  -3.254  -3.057
   60   1HZ   LYS  10          3HZ       LYS  10  13.993  -4.020  -5.931
   61   2HZ   LYS  10          2HZ       LYS  10  15.341  -4.172  -4.916
   62   3HZ   LYS  10          1HZ       LYS  10  13.943  -5.086  -4.609
   63    H    ALA  11           H        ALA  11  10.404   1.575  -4.673
   64    HA   ALA  11           HA       ALA  11   7.760   1.158  -3.465
   65   1HB   ALA  11          2HB       ALA  11   8.519   2.870  -5.835
   66   2HB   ALA  11          1HB       ALA  11   6.934   2.786  -5.068
   67   3HB   ALA  11          3HB       ALA  11   8.310   3.449  -4.184
   68    H    LYS  13           H        LYS  13   4.577  -0.235  -6.765
   69    HA   LYS  13           HA       LYS  13   3.896   0.705  -8.700
   70   1HB   LYS  13          2HB       LYS  13   6.275   1.560  -8.695
   71   2HB   LYS  13          1HB       LYS  13   6.656   0.260  -9.816
   72   1HG   LYS  13          2HG       LYS  13   5.077   1.146 -11.428
   73   2HG   LYS  13          1HG       LYS  13   4.601   2.410 -10.290
   74   1HD   LYS  13          2HD       LYS  13   7.317   2.049 -11.559
   75   2HD   LYS  13          1HD       LYS  13   6.144   3.315 -11.918
   76   1HE   LYS  13          2HE       LYS  13   7.537   2.897  -9.280
   77   2HE   LYS  13          1HE       LYS  13   7.930   4.136 -10.467
   78   1HZ   LYS  13          2HZ       LYS  13   5.329   3.893  -9.042
   79   2HZ   LYS  13          1HZ       LYS  13   6.561   4.995  -8.664
   80   3HZ   LYS  13          3HZ       LYS  13   5.754   5.108 -10.151
   81    H    LYS  14           H        LYS  14   6.202  -1.790  -9.846
   82    HA   LYS  14           HA       LYS  14   4.138  -2.681 -11.719
   83   1HB   LYS  14          2HB       LYS  14   7.103  -3.146 -11.561
   84   2HB   LYS  14          1HB       LYS  14   6.082  -4.150 -12.577
   85   1HG   LYS  14          2HG       LYS  14   5.285  -1.944 -13.623
   86   2HG   LYS  14          1HG       LYS  14   6.692  -1.228 -12.831
   87   1HD   LYS  14          2HD       LYS  14   8.173  -2.730 -13.995
   88   2HD   LYS  14          1HD       LYS  14   6.811  -3.609 -14.684
   89   1HE   LYS  14          2HE       LYS  14   7.563  -2.226 -16.416
   90   2HE   LYS  14          1HE       LYS  14   6.150  -1.395 -15.768
   91   1HZ   LYS  14          1HZ       LYS  14   7.658   0.034 -14.477
   92   2HZ   LYS  14          3HZ       LYS  14   8.993  -0.752 -15.165
   93   3HZ   LYS  14          2HZ       LYS  14   7.946   0.155 -16.141
   94    H    LEU  15           H        LEU  15   2.758  -4.016 -10.737
   95    HA   LEU  15           HA       LEU  15   1.928  -6.037 -10.175
   96   1HB   LEU  15          2HB       LEU  15   4.747  -6.973 -10.675
   97   2HB   LEU  15          1HB       LEU  15   3.389  -8.041 -10.380
   98    HG   LEU  15           HG       LEU  15   3.658  -6.156 -12.728
   99   1HD1  LEU  15          2HD1      LEU  15   3.861  -9.160 -12.541
  100   2HD1  LEU  15          1HD1      LEU  15   3.865  -8.218 -14.033
  101   3HD1  LEU  15          3HD1      LEU  15   5.182  -8.040 -12.878
  102   1HD2  LEU  15          2HD2      LEU  15   1.532  -8.195 -12.066
  103   2HD2  LEU  15          1HD2      LEU  15   1.335  -6.442 -12.040
  104   3HD2  LEU  15          3HD2      LEU  15   1.645  -7.267 -13.562
  105    H    CYS  16           H        CYS  16   4.084  -4.460  -8.217
  106    HA   CYS  16           HA       CYS  16   4.437  -6.406  -6.169
  107   1HB   CYS  16          2HB       CYS  16   4.482  -3.395  -5.969
  108   2HB   CYS  16          1HB       CYS  16   5.056  -4.505  -4.744
  109    H    ARG  17           H        ARG  17   2.823  -7.272  -5.067
  110    HA   ARG  17           HA       ARG  17   0.503  -5.575  -4.420
  111   1HB   ARG  17          2HB       ARG  17   0.604  -8.596  -4.512
  112   2HB   ARG  17          1HB       ARG  17  -0.822  -7.605  -4.232
  113   1HG   ARG  17          2HG       ARG  17  -0.290  -6.601  -6.555
  114   2HG   ARG  17          1HG       ARG  17   0.692  -8.054  -6.766
  115   1HD   ARG  17          2HD       ARG  17  -1.487  -8.472  -7.670
  116   2HD   ARG  17          1HD       ARG  17  -1.311  -9.415  -6.191
  117    HE   ARG  17           HE       ARG  17  -2.559  -6.819  -5.877
  118   1HH1  ARG  17          1HH1      ARG  17  -3.063 -10.246  -6.404
  119   2HH1  ARG  17          2HH1      ARG  17  -4.713 -10.217  -5.849
  120   1HH2  ARG  17          1HH2      ARG  17  -4.712  -6.782  -5.115
  121   2HH2  ARG  17          2HH2      ARG  17  -5.637  -8.258  -5.076
  122    H    GLY  18           H        GLY  18   3.183  -6.105  -3.063
  123   1HA   GLY  18          1HA       GLY  18   3.978  -6.254  -0.916
  124   2HA   GLY  18          2HA       GLY  18   2.737  -7.468  -0.639
  125    H    PHE  19           H        PHE  19   2.150  -4.149  -1.608
  126    HA   PHE  19           HA       PHE  19   1.150  -3.513   1.051
  127   1HB   PHE  19          2HB       PHE  19   0.874  -1.182   0.005
  128   2HB   PHE  19          1HB       PHE  19   2.518  -1.761   0.242
  129    HD1  PHE  19          1HD       PHE  19   3.999  -1.929  -1.550
  130    HD2  PHE  19          2HD       PHE  19  -0.150  -1.353  -2.286
  131    HE1  PHE  19          1HE       PHE  19   4.484  -1.526  -3.931
  132    HE2  PHE  19          2HE       PHE  19   0.320  -0.952  -4.672
  133    HZ   PHE  19           HZ       PHE  19   2.641  -1.037  -5.496
  134    H    LEU  21           H        LEU  21  -2.232  -3.507   0.872
  135    HA   LEU  21           HA       LEU  21  -3.865  -5.243   2.465
  136   1HB   LEU  21          2HB       LEU  21  -2.099  -3.828   3.456
  137   2HB   LEU  21          1HB       LEU  21  -2.992  -2.398   2.969
  138    HG   LEU  21           HG       LEU  21  -4.844  -3.072   4.465
  139   1HD1  LEU  21          3HD1      LEU  21  -2.955  -5.268   5.305
  140   2HD1  LEU  21          2HD1      LEU  21  -4.475  -4.856   6.108
  141   3HD1  LEU  21          1HD1      LEU  21  -4.481  -5.477   4.449
  142   1HD2  LEU  21          3HD2      LEU  21  -2.134  -2.859   5.779
  143   2HD2  LEU  21          2HD2      LEU  21  -3.157  -1.518   5.258
  144   3HD2  LEU  21          1HD2      LEU  21  -3.684  -2.572   6.569
  145    H    CYS  23           H        CYS  23  -5.945  -4.253  -0.649
  146    HA   CYS  23           HA       CYS  23  -7.065  -1.918  -1.937
  147   1HB   CYS  23          2HB       CYS  23  -5.316  -2.411  -3.684
  148   2HB   CYS  23          1HB       CYS  23  -4.691  -2.134  -2.057
  149    H    GLY  24           H        GLY  24  -7.058  -5.402  -2.371
  150   1HA   GLY  24          1HA       GLY  24  -7.906  -6.578  -4.262
  151   2HA   GLY  24          2HA       GLY  24  -8.705  -5.104  -4.784
  152    H    CYS  25           H        CYS  25  -9.235  -5.416  -1.505
  153    HA   CYS  25           HA       CYS  25 -11.296  -7.423  -1.635
  154   1HB   CYS  25          2HB       CYS  25 -11.668  -6.820   0.756
  155   2HB   CYS  25          1HB       CYS  25 -10.029  -7.334   0.373
  156    H    HIS  26           H        HIS  26 -12.880  -6.706  -2.984
  157    HA   HIS  26           HA       HIS  26 -14.302  -4.258  -2.164
  158   1HB   HIS  26          2HB       HIS  26 -14.270  -5.684  -4.831
  159   2HB   HIS  26          1HB       HIS  26 -15.325  -4.330  -4.449
  160    HD1  HIS  26          1HD       HIS  26 -12.145  -5.081  -5.927
  161    HD2  HIS  26          2HD       HIS  26 -13.696  -1.911  -3.717
  162    HE1  HIS  26          1HE       HIS  26 -10.609  -3.134  -6.360
  163    HE2  HIS  26          2HE       HIS  26 -11.584  -1.214  -5.052
  164    H    PHE  27           H        PHE  27 -14.420  -7.140  -1.224
  165    HA   PHE  27           HA       PHE  27 -15.949  -8.553  -0.352
  166   1HB   PHE  27          2HB       PHE  27 -17.942  -6.455  -1.225
  167   2HB   PHE  27          1HB       PHE  27 -18.362  -7.891  -0.297
  168    HD1  PHE  27          1HD       PHE  27 -17.171  -4.531  -0.169
  169    HD2  PHE  27          2HD       PHE  27 -17.268  -8.206   1.965
  170    HE1  PHE  27          1HE       PHE  27 -16.632  -3.330   1.898
  171    HE2  PHE  27          2HE       PHE  27 -16.729  -7.009   4.048
  172    HZ   PHE  27           HZ       PHE  27 -16.441  -4.582   4.031
  173    H    GLY  29           H        GLY  29 -18.081 -13.146  -2.081
  174   1HA   GLY  29          1HA       GLY  29 -20.833 -12.651  -2.122
  175   2HA   GLY  29          2HA       GLY  29 -20.099 -14.250  -2.168
  176    H    LYS  30           H        LYS  30 -18.776 -14.186  -4.566
  177    HA   LYS  30           HA       LYS  30 -20.964 -14.077  -6.489
  178   1HB   LYS  30          2HB       LYS  30 -20.006 -11.886  -6.704
  179   2HB   LYS  30          1HB       LYS  30 -18.377 -12.539  -6.744
  180   1HG   LYS  30          2HG       LYS  30 -19.136 -11.801  -8.941
  181   2HG   LYS  30          1HG       LYS  30 -18.783 -13.527  -8.905
  182   1HD   LYS  30          2HD       LYS  30 -21.143 -14.046  -8.768
  183   2HD   LYS  30          1HD       LYS  30 -21.540 -12.330  -8.656
  184   1HE   LYS  30          2HE       LYS  30 -21.899 -13.264 -10.913
  185   2HE   LYS  30          1HE       LYS  30 -20.729 -11.945 -10.886
  186   1HZ   LYS  30          2HZ       LYS  30 -20.052 -14.845 -10.964
  187   2HZ   LYS  30          1HZ       LYS  30 -19.996 -13.779 -12.281
  188   3HZ   LYS  30          3HZ       LYS  30 -18.944 -13.557 -10.974
  189    H    LYS  31           H        LYS  31 -20.997 -15.922  -7.547
  190    HA   LYS  31           HA       LYS  31 -18.557 -17.457  -7.956
  191   1HB   LYS  31          2HB       LYS  31 -21.459 -18.022  -8.567
  192   2HB   LYS  31          1HB       LYS  31 -20.155 -19.087  -9.072
  193   1HG   LYS  31          2HG       LYS  31 -20.803 -18.344  -6.223
  194   2HG   LYS  31          1HG       LYS  31 -21.239 -19.859  -7.015
  195   1HD   LYS  31          2HD       LYS  31 -18.846 -20.330  -7.372
  196   2HD   LYS  31          1HD       LYS  31 -18.444 -18.835  -6.528
  197   1HE   LYS  31          2HE       LYS  31 -19.940 -21.171  -5.333
  198   2HE   LYS  31          1HE       LYS  31 -18.234 -20.809  -5.076
  199   1HZ   LYS  31          3HZ       LYS  31 -18.939 -18.653  -4.113
  200   2HZ   LYS  31          2HZ       LYS  31 -20.552 -19.141  -4.251
  201   3HZ   LYS  31          1HZ       LYS  31 -19.499 -19.989  -3.235

  No H/Q in entry =         201
  Start of MODEL   19
    1    H    ALA   2           H        ALA   2   9.683  27.112   3.808
    2    HA   ALA   2           HA       ALA   2   8.568  25.927   1.382
    3   1HB   ALA   2          3HB       ALA   2  10.818  24.961   3.141
    4   2HB   ALA   2          2HB       ALA   2  10.366  24.304   1.570
    5   3HB   ALA   2          1HB       ALA   2  11.001  25.945   1.689
    6    H    ILE   4           H        ILE   4   8.785  22.578   4.201
    7    HA   ILE   4           HA       ILE   4  10.047  20.878   4.992
    8    HB   ILE   4           HB       ILE   4   9.260  21.823   7.755
    9   1HG1  ILE   4          2HG1      ILE   4  11.721  22.492   6.118
   10   2HG1  ILE   4          1HG1      ILE   4  10.352  23.574   6.348
   11   1HG2  ILE   4          1HG2      ILE   4  10.158  19.553   7.723
   12   2HG2  ILE   4          3HG2      ILE   4  11.569  20.119   6.821
   13   3HG2  ILE   4          2HG2      ILE   4  11.293  20.672   8.473
   14   1HD1  ILE   4          3HD1      ILE   4  10.789  23.613   8.750
   15   2HD1  ILE   4          2HD1      ILE   4  12.170  22.541   8.510
   16   3HD1  ILE   4          1HD1      ILE   4  12.181  24.162   7.819
   17    H    VAL   5           H        VAL   5   8.729  19.327   4.106
   18    HA   VAL   5           HA       VAL   5   6.584  18.217   5.737
   19    HB   VAL   5           HB       VAL   5   7.485  17.415   2.962
   20   1HG1  VAL   5          1HG1      VAL   5   4.981  16.733   4.503
   21   2HG1  VAL   5          3HG1      VAL   5   5.286  16.324   2.813
   22   3HG1  VAL   5          2HG1      VAL   5   6.290  15.626   4.085
   23   1HG2  VAL   5          3HG2      VAL   5   5.225  19.219   3.814
   24   2HG2  VAL   5          2HG2      VAL   5   6.696  19.712   2.978
   25   3HG2  VAL   5          1HG2      VAL   5   5.529  18.668   2.172
   26    H    LYS   6           H        LYS   6   6.693  16.275   6.745
   27    HA   LYS   6           HA       LYS   6   9.261  15.035   7.043
   28   1HB   LYS   6          2HB       LYS   6   6.528  14.300   8.101
   29   2HB   LYS   6          1HB       LYS   6   7.976  13.363   8.437
   30   1HG   LYS   6          2HG       LYS   6   7.683  14.726  10.320
   31   2HG   LYS   6          1HG       LYS   6   8.961  15.509   9.387
   32   1HD   LYS   6          2HD       LYS   6   7.220  17.015   8.410
   33   2HD   LYS   6          1HD       LYS   6   6.055  16.300   9.526
   34   1HE   LYS   6          2HE       LYS   6   8.573  17.778  10.290
   35   2HE   LYS   6          1HE       LYS   6   6.932  18.415  10.387
   36   1HZ   LYS   6          3HZ       LYS   6   6.414  16.641  11.992
   37   2HZ   LYS   6          2HZ       LYS   6   8.030  16.133  11.944
   38   3HZ   LYS   6          1HZ       LYS   6   7.643  17.669  12.533
   39    H    ILE   9           H        ILE   9   8.761  11.874   0.165
   40    HA   ILE   9           HA       ILE   9   6.605  11.763  -1.700
   41    HB   ILE   9           HB       ILE   9   8.835  11.042  -2.365
   42   1HG1  ILE   9          2HG1      ILE   9   8.268   8.796  -3.308
   43   2HG1  ILE   9          1HG1      ILE   9   6.836   8.788  -2.277
   44   1HG2  ILE   9          3HG2      ILE   9   8.530   8.950  -0.232
   45   2HG2  ILE   9          2HG2      ILE   9   9.757   8.891  -1.496
   46   3HG2  ILE   9          1HG2      ILE   9   9.750  10.216  -0.325
   47   1HD1  ILE   9          2HD1      ILE   9   7.425  10.792  -4.442
   48   2HD1  ILE   9          1HD1      ILE   9   6.310   9.432  -4.572
   49   3HD1  ILE   9          3HD1      ILE   9   5.978  10.741  -3.440
   50    H    LYS  10           H        LYS  10   4.943  10.258  -1.801
   51    HA   LYS  10           HA       LYS  10   4.219   9.102   0.769
   52   1HB   LYS  10          2HB       LYS  10   2.547   9.532  -1.704
   53   2HB   LYS  10          1HB       LYS  10   1.949   8.902  -0.173
   54   1HG   LYS  10          2HG       LYS  10   1.304  11.118  -0.116
   55   2HG   LYS  10          1HG       LYS  10   2.797  11.124   0.818
   56   1HD   LYS  10          2HD       LYS  10   4.023  11.887  -1.179
   57   2HD   LYS  10          1HD       LYS  10   2.504  11.921  -2.073
   58   1HE   LYS  10          2HE       LYS  10   3.015  14.150  -1.358
   59   2HE   LYS  10          1HE       LYS  10   1.633  13.566  -0.440
   60   1HZ   LYS  10          3HZ       LYS  10   3.161  13.049   1.385
   61   2HZ   LYS  10          2HZ       LYS  10   4.444  13.706   0.497
   62   3HZ   LYS  10          1HZ       LYS  10   3.163  14.697   0.997
   63    H    ALA  11           H        ALA  11   6.198   7.932  -0.961
   64    HA   ALA  11           HA       ALA  11   5.188   5.225  -1.000
   65   1HB   ALA  11          3HB       ALA  11   4.571   6.047  -3.238
   66   2HB   ALA  11          2HB       ALA  11   6.260   6.461  -3.533
   67   3HB   ALA  11          1HB       ALA  11   5.793   4.777  -3.311
   68    H    LYS  13           H        LYS  13   7.551   3.705   1.823
   69    HA   LYS  13           HA       LYS  13   9.003   5.706   3.341
   70   1HB   LYS  13          2HB       LYS  13   6.577   4.056   4.070
   71   2HB   LYS  13          1HB       LYS  13   7.264   5.338   5.064
   72   1HG   LYS  13          2HG       LYS  13   6.098   5.681   2.307
   73   2HG   LYS  13          1HG       LYS  13   5.307   6.108   3.828
   74   1HD   LYS  13          2HD       LYS  13   7.902   7.281   2.822
   75   2HD   LYS  13          1HD       LYS  13   6.320   8.051   2.688
   76   1HE   LYS  13          2HE       LYS  13   7.653   7.277   5.279
   77   2HE   LYS  13          1HE       LYS  13   7.647   8.901   4.589
   78   1HZ   LYS  13          3HZ       LYS  13   5.228   8.907   4.753
   79   2HZ   LYS  13          2HZ       LYS  13   5.254   7.355   5.441
   80   3HZ   LYS  13          1HZ       LYS  13   5.943   8.660   6.280
   81    H    LYS  14           H        LYS  14   7.749   2.562   4.453
   82    HA   LYS  14           HA       LYS  14  10.329   2.192   5.837
   83   1HB   LYS  14          2HB       LYS  14   7.589   1.288   6.752
   84   2HB   LYS  14          1HB       LYS  14   9.097   1.022   7.609
   85   1HG   LYS  14          2HG       LYS  14   7.887   3.715   7.017
   86   2HG   LYS  14          1HG       LYS  14   7.765   2.855   8.555
   87   1HD   LYS  14          2HD       LYS  14  10.265   2.884   8.679
   88   2HD   LYS  14          1HD       LYS  14  10.267   3.920   7.246
   89   1HE   LYS  14          2HE       LYS  14   8.893   5.561   8.457
   90   2HE   LYS  14          1HE       LYS  14   8.948   4.536   9.890
   91   1HZ   LYS  14          3HZ       LYS  14  11.431   4.767   9.780
   92   2HZ   LYS  14          2HZ       LYS  14  11.202   5.966   8.598
   93   3HZ   LYS  14          1HZ       LYS  14  10.588   6.190  10.163
   94    H    LEU  15           H        LEU  15   7.490   0.250   4.888
   95    HA   LEU  15           HA       LEU  15   9.281  -2.043   4.523
   96   1HB   LEU  15          2HB       LEU  15   6.264  -1.991   4.509
   97   2HB   LEU  15          1HB       LEU  15   7.287  -3.411   4.577
   98    HG   LEU  15           HG       LEU  15   6.973  -1.334   6.746
   99   1HD1  LEU  15          1HD1      LEU  15   5.061  -2.838   6.506
  100   2HD1  LEU  15          3HD1      LEU  15   6.140  -4.228   6.626
  101   3HD1  LEU  15          2HD1      LEU  15   5.944  -3.141   8.002
  102   1HD2  LEU  15          1HD2      LEU  15   8.655  -3.839   6.690
  103   2HD2  LEU  15          3HD2      LEU  15   9.255  -2.178   6.692
  104   3HD2  LEU  15          2HD2      LEU  15   8.391  -2.803   8.095
  105    H    CYS  16           H        CYS  16   6.552  -0.491   2.899
  106    HA   CYS  16           HA       CYS  16   5.808  -0.436   0.770
  107   1HB   CYS  16          2HB       CYS  16   8.776  -0.431   0.405
  108   2HB   CYS  16          1HB       CYS  16   7.659  -0.139  -0.919
  109    H    ARG  17           H        ARG  17   6.680  -3.157   2.006
  110    HA   ARG  17           HA       ARG  17   6.447  -4.684  -0.482
  111   1HB   ARG  17          2HB       ARG  17   7.595  -6.528   0.699
  112   2HB   ARG  17          1HB       ARG  17   8.597  -5.087   0.573
  113   1HG   ARG  17          2HG       ARG  17   7.674  -4.548   2.935
  114   2HG   ARG  17          1HG       ARG  17   7.262  -6.263   2.970
  115   1HD   ARG  17          2HD       ARG  17   9.433  -5.941   3.965
  116   2HD   ARG  17          1HD       ARG  17   9.611  -6.805   2.444
  117    HE   ARG  17           HE       ARG  17   9.923  -3.934   2.268
  118   1HH1  ARG  17          1HH1      ARG  17  11.539  -7.005   2.768
  119   2HH1  ARG  17          2HH1      ARG  17  13.089  -6.415   2.228
  120   1HH2  ARG  17          1HH2      ARG  17  11.962  -3.150   1.621
  121   2HH2  ARG  17          2HH2      ARG  17  13.340  -4.212   1.639
  122    H    GLY  18           H        GLY  18   4.678  -3.497   1.750
  123   1HA   GLY  18          1HA       GLY  18   3.095  -4.486   3.305
  124   2HA   GLY  18          2HA       GLY  18   3.077  -5.918   2.287
  125    H    PHE  19           H        PHE  19   3.187  -3.849  -0.004
  126    HA   PHE  19           HA       PHE  19   0.672  -2.508   0.128
  127   1HB   PHE  19          2HB       PHE  19   2.688  -1.765  -1.237
  128   2HB   PHE  19          1HB       PHE  19   2.265  -3.047  -2.373
  129    HD1  PHE  19          1HD       PHE  19   0.842  -0.095  -0.656
  130    HD2  PHE  19          2HD       PHE  19   0.746  -2.620  -4.069
  131    HE1  PHE  19          1HE       PHE  19  -0.781   1.418  -1.724
  132    HE2  PHE  19          2HE       PHE  19  -0.875  -1.115  -5.156
  133    HZ   PHE  19           HZ       PHE  19  -1.642   0.909  -3.974
  134    H    LEU  21           H        LEU  21  -2.568  -3.505   0.652
  135    HA   LEU  21           HA       LEU  21  -4.011  -5.544   2.193
  136   1HB   LEU  21          2HB       LEU  21  -2.110  -4.565   3.363
  137   2HB   LEU  21          1HB       LEU  21  -2.717  -2.950   3.056
  138    HG   LEU  21           HG       LEU  21  -4.684  -3.459   4.486
  139   1HD1  LEU  21          2HD1      LEU  21  -4.682  -5.890   4.233
  140   2HD1  LEU  21          1HD1      LEU  21  -3.167  -5.980   5.129
  141   3HD1  LEU  21          3HD1      LEU  21  -4.631  -5.413   5.936
  142   1HD2  LEU  21          1HD2      LEU  21  -2.716  -2.298   5.369
  143   2HD2  LEU  21          3HD2      LEU  21  -3.490  -3.305   6.599
  144   3HD2  LEU  21          2HD2      LEU  21  -2.007  -3.851   5.815
  145    H    CYS  23           H        CYS  23  -6.373  -4.525  -0.608
  146    HA   CYS  23           HA       CYS  23  -6.955  -2.001  -1.984
  147   1HB   CYS  23          2HB       CYS  23  -5.190  -2.945  -3.585
  148   2HB   CYS  23          1HB       CYS  23  -4.637  -2.441  -1.995
  149    H    GLY  24           H        GLY  24  -7.045  -5.513  -2.413
  150   1HA   GLY  24          1HA       GLY  24  -7.904  -6.627  -4.346
  151   2HA   GLY  24          2HA       GLY  24  -8.773  -5.155  -4.765
  152    H    CYS  25           H        CYS  25  -9.273  -5.222  -1.640
  153    HA   CYS  25           HA       CYS  25 -11.213  -7.332  -1.438
  154   1HB   CYS  25          2HB       CYS  25 -11.734  -6.220   0.775
  155   2HB   CYS  25          1HB       CYS  25 -10.108  -6.854   0.574
  156    H    HIS  26           H        HIS  26 -12.956  -7.143  -2.607
  157    HA   HIS  26           HA       HIS  26 -14.272  -4.612  -3.060
  158   1HB   HIS  26          2HB       HIS  26 -15.064  -7.460  -3.700
  159   2HB   HIS  26          1HB       HIS  26 -16.088  -6.076  -4.064
  160    HD1  HIS  26          1HD       HIS  26 -15.930  -5.548  -6.460
  161    HD2  HIS  26          2HD       HIS  26 -12.269  -6.765  -4.906
  162    HE1  HIS  26          1HE       HIS  26 -14.307  -5.440  -8.379
  163    HE2  HIS  26          2HE       HIS  26 -12.071  -6.037  -7.373
  164    H    PHE  27           H        PHE  27 -15.131  -7.610  -1.348
  165    HA   PHE  27           HA       PHE  27 -16.687  -5.947   0.514
  166   1HB   PHE  27          2HB       PHE  27 -18.167  -7.850   0.900
  167   2HB   PHE  27          1HB       PHE  27 -18.135  -7.439  -0.807
  168    HD1  PHE  27          1HD       PHE  27 -16.696  -8.854  -2.345
  169    HD2  PHE  27          2HD       PHE  27 -17.656 -10.004   1.632
  170    HE1  PHE  27          1HE       PHE  27 -16.151 -11.190  -2.894
  171    HE2  PHE  27          2HE       PHE  27 -17.108 -12.341   1.092
  172    HZ   PHE  27           HZ       PHE  27 -16.353 -12.935  -1.170
  173    H    GLY  29           H        GLY  29 -14.715  -6.802   3.669
  174   1HA   GLY  29          1HA       GLY  29 -13.982  -4.921   4.981
  175   2HA   GLY  29          2HA       GLY  29 -12.361  -5.605   4.978
  176    H    LYS  30           H        LYS  30 -11.777  -7.038   6.540
  177    HA   LYS  30           HA       LYS  30 -13.786  -8.326   8.166
  178   1HB   LYS  30          2HB       LYS  30 -11.680  -9.474   7.471
  179   2HB   LYS  30          1HB       LYS  30 -10.782  -8.369   8.503
  180   1HG   LYS  30          2HG       LYS  30 -11.132 -10.513   9.600
  181   2HG   LYS  30          1HG       LYS  30 -11.966  -9.220  10.458
  182   1HD   LYS  30          2HD       LYS  30 -13.382 -11.190  10.305
  183   2HD   LYS  30          1HD       LYS  30 -14.073  -9.873   9.353
  184   1HE   LYS  30          2HE       LYS  30 -13.030 -10.874   7.330
  185   2HE   LYS  30          1HE       LYS  30 -12.505 -12.232   8.326
  186   1HZ   LYS  30          3HZ       LYS  30 -15.331 -11.414   7.906
  187   2HZ   LYS  30          2HZ       LYS  30 -14.556 -12.714   7.132
  188   3HZ   LYS  30          1HZ       LYS  30 -14.802 -12.755   8.802
  189    H    LYS  31           H        LYS  31 -14.816  -6.782   9.314
  190    HA   LYS  31           HA       LYS  31 -13.360  -5.630  11.543
  191   1HB   LYS  31          2HB       LYS  31 -13.199  -3.880   9.834
  192   2HB   LYS  31          1HB       LYS  31 -14.938  -3.940   9.592
  193   1HG   LYS  31          2HG       LYS  31 -15.314  -3.117  11.844
  194   2HG   LYS  31          1HG       LYS  31 -13.578  -3.117  12.152
  195   1HD   LYS  31          2HD       LYS  31 -14.361  -0.872  11.622
  196   2HD   LYS  31          1HD       LYS  31 -13.270  -1.456  10.368
  197   1HE   LYS  31          2HE       LYS  31 -15.230  -2.064   8.995
  198   2HE   LYS  31          1HE       LYS  31 -16.285  -1.409  10.246
  199   1HZ   LYS  31          1HZ       LYS  31 -14.248   0.142   8.740
  200   2HZ   LYS  31          3HZ       LYS  31 -15.921   0.182   8.454
  201   3HZ   LYS  31          2HZ       LYS  31 -15.290   0.759   9.922

  No H/Q in entry =         201
  Start of MODEL   20
    1    H    ALA   2           H        ALA   2  -0.943  20.184 -15.712
    2    HA   ALA   2           HA       ALA   2  -2.946  21.010 -15.067
    3   1HB   ALA   2          2HB       ALA   2  -3.859  20.297 -17.846
    4   2HB   ALA   2          1HB       ALA   2  -4.681  21.384 -16.727
    5   3HB   ALA   2          3HB       ALA   2  -3.092  21.810 -17.371
    6    H    ILE   4           H        ILE   4  -6.353  16.371 -14.548
    7    HA   ILE   4           HA       ILE   4  -4.722  13.984 -14.075
    8    HB   ILE   4           HB       ILE   4  -6.880  12.754 -14.579
    9   1HG1  ILE   4          2HG1      ILE   4  -8.045  15.531 -14.229
   10   2HG1  ILE   4          1HG1      ILE   4  -8.036  14.608 -15.730
   11   1HG2  ILE   4          3HG2      ILE   4  -6.770  14.606 -12.201
   12   2HG2  ILE   4          2HG2      ILE   4  -7.792  13.175 -12.332
   13   3HG2  ILE   4          1HG2      ILE   4  -6.038  13.006 -12.331
   14   1HD1  ILE   4          3HD1      ILE   4  -9.457  13.815 -13.197
   15   2HD1  ILE   4          2HD1      ILE   4 -10.203  14.530 -14.632
   16   3HD1  ILE   4          1HD1      ILE   4  -9.471  12.929 -14.721
   17    H    VAL   5           H        VAL   5  -3.570  13.303 -15.715
   18    HA   VAL   5           HA       VAL   5  -4.564  13.686 -18.445
   19    HB   VAL   5           HB       VAL   5  -1.762  12.977 -17.555
   20   1HG1  VAL   5          2HG1      VAL   5  -2.314  12.189 -19.795
   21   2HG1  VAL   5          1HG1      VAL   5  -2.821  13.814 -20.251
   22   3HG1  VAL   5          3HG1      VAL   5  -1.131  13.492 -19.852
   23   1HG2  VAL   5          1HG2      VAL   5  -2.925  15.622 -18.410
   24   2HG2  VAL   5          3HG2      VAL   5  -2.316  15.201 -16.810
   25   3HG2  VAL   5          2HG2      VAL   5  -1.205  15.299 -18.179
   26    H    LYS   6           H        LYS   6  -5.960  11.960 -18.560
   27    HA   LYS   6           HA       LYS   6  -6.696   9.828 -18.770
   28   1HB   LYS   6          2HB       LYS   6  -3.825   9.336 -19.584
   29   2HB   LYS   6          1HB       LYS   6  -5.155   8.216 -19.842
   30   1HG   LYS   6          2HG       LYS   6  -4.918  10.974 -21.030
   31   2HG   LYS   6          1HG       LYS   6  -4.609   9.453 -21.868
   32   1HD   LYS   6          2HD       LYS   6  -6.948   8.785 -21.451
   33   2HD   LYS   6          1HD       LYS   6  -7.241  10.359 -20.712
   34   1HE   LYS   6          2HE       LYS   6  -6.357   9.891 -23.553
   35   2HE   LYS   6          1HE       LYS   6  -7.997  10.284 -23.042
   36   1HZ   LYS   6          1HZ       LYS   6  -5.655  12.036 -22.524
   37   2HZ   LYS   6          3HZ       LYS   6  -6.667  12.198 -23.869
   38   3HZ   LYS   6          2HZ       LYS   6  -7.296  12.417 -22.313
   39    H    ILE   9           H        ILE   9  -3.800   8.730 -11.462
   40    HA   ILE   9           HA       ILE   9  -3.439   7.475  -9.619
   41    HB   ILE   9           HB       ILE   9  -2.894   5.331 -11.665
   42   1HG1  ILE   9          2HG1      ILE   9  -5.530   6.273 -10.513
   43   2HG1  ILE   9          1HG1      ILE   9  -4.962   6.594 -12.150
   44   1HG2  ILE   9          2HG2      ILE   9  -3.983   5.176  -8.849
   45   2HG2  ILE   9          1HG2      ILE   9  -3.840   3.814  -9.968
   46   3HG2  ILE   9          3HG2      ILE   9  -2.390   4.630  -9.379
   47   1HD1  ILE   9          2HD1      ILE   9  -5.553   3.879 -11.004
   48   2HD1  ILE   9          1HD1      ILE   9  -6.588   4.788 -12.103
   49   3HD1  ILE   9          3HD1      ILE   9  -5.010   4.217 -12.642
   50    H    LYS  10           H        LYS  10  -1.383   8.926  -9.634
   51    HA   LYS  10           HA       LYS  10   1.017   7.259  -9.629
   52   1HB   LYS  10          2HB       LYS  10   0.673  10.242  -9.253
   53   2HB   LYS  10          1HB       LYS  10   2.220   9.401  -9.210
   54   1HG   LYS  10          2HG       LYS  10   0.347   9.548 -11.565
   55   2HG   LYS  10          1HG       LYS  10   1.862  10.434 -11.380
   56   1HD   LYS  10          2HD       LYS  10   3.139   8.424 -11.455
   57   2HD   LYS  10          1HD       LYS  10   1.689   7.427 -11.345
   58   1HE   LYS  10          2HE       LYS  10   2.513   7.441 -13.624
   59   2HE   LYS  10          1HE       LYS  10   0.967   8.280 -13.537
   60   1HZ   LYS  10          2HZ       LYS  10   3.612   9.633 -13.554
   61   2HZ   LYS  10          1HZ       LYS  10   2.635   9.420 -14.921
   62   3HZ   LYS  10          3HZ       LYS  10   2.092  10.384 -13.640
   63    H    ALA  11           H        ALA  11   0.577   5.975  -7.892
   64    HA   ALA  11           HA       ALA  11  -0.336   6.974  -5.381
   65   1HB   ALA  11          3HB       ALA  11  -0.763   4.672  -6.144
   66   2HB   ALA  11          2HB       ALA  11   0.961   4.324  -6.015
   67   3HB   ALA  11          1HB       ALA  11   0.033   4.717  -4.566
   68    H    LYS  13           H        LYS  13   0.870   8.311  -1.858
   69    HA   LYS  13           HA       LYS  13   1.270  11.066  -2.221
   70   1HB   LYS  13          2HB       LYS  13  -0.835   9.648  -1.478
   71   2HB   LYS  13          1HB       LYS  13  -0.261  10.033   0.125
   72   1HG   LYS  13          2HG       LYS  13  -1.891  11.650  -0.433
   73   2HG   LYS  13          1HG       LYS  13  -0.317  12.450  -0.521
   74   1HD   LYS  13          2HD       LYS  13  -0.301  12.287  -2.924
   75   2HD   LYS  13          1HD       LYS  13  -1.752  11.282  -2.906
   76   1HE   LYS  13          2HE       LYS  13  -2.998  13.176  -1.913
   77   2HE   LYS  13          1HE       LYS  13  -1.549  14.170  -2.080
   78   1HZ   LYS  13          2HZ       LYS  13  -2.914  12.829  -4.345
   79   2HZ   LYS  13          1HZ       LYS  13  -3.167  14.447  -3.906
   80   3HZ   LYS  13          3HZ       LYS  13  -1.636  13.944  -4.439
   81    H    LYS  14           H        LYS  14   1.168   9.579   0.980
   82    HA   LYS  14           HA       LYS  14   3.585  11.102   1.698
   83   1HB   LYS  14          2HB       LYS  14   1.188  10.431   3.422
   84   2HB   LYS  14          1HB       LYS  14   2.670  11.166   4.020
   85   1HG   LYS  14          2HG       LYS  14   0.807  12.372   1.984
   86   2HG   LYS  14          1HG       LYS  14   0.915  12.822   3.681
   87   1HD   LYS  14          2HD       LYS  14   3.269  13.479   3.325
   88   2HD   LYS  14          1HD       LYS  14   3.097  13.097   1.614
   89   1HE   LYS  14          2HE       LYS  14   1.347  14.789   1.410
   90   2HE   LYS  14          1HE       LYS  14   1.503  15.163   3.127
   91   1HZ   LYS  14          2HZ       LYS  14   3.850  15.769   2.672
   92   2HZ   LYS  14          1HZ       LYS  14   3.550  15.577   1.016
   93   3HZ   LYS  14          3HZ       LYS  14   2.725  16.773   1.895
   94    H    LEU  15           H        LEU  15   1.614   8.307   2.668
   95    HA   LEU  15           HA       LEU  15   4.093   6.904   3.395
   96   1HB   LEU  15          2HB       LEU  15   1.222   6.343   4.146
   97   2HB   LEU  15          1HB       LEU  15   2.585   5.340   4.611
   98    HG   LEU  15           HG       LEU  15   2.144   8.210   5.446
   99   1HD1  LEU  15          3HD1      LEU  15   0.598   6.639   6.505
  100   2HD1  LEU  15          2HD1      LEU  15   1.962   5.646   7.026
  101   3HD1  LEU  15          1HD1      LEU  15   1.769   7.278   7.662
  102   1HD2  LEU  15          1HD2      LEU  15   4.308   6.251   6.209
  103   2HD2  LEU  15          3HD2      LEU  15   4.512   7.695   5.218
  104   3HD2  LEU  15          2HD2      LEU  15   4.067   7.849   6.923
  105    H    CYS  16           H        CYS  16   4.842   5.513   2.007
  106    HA   CYS  16           HA       CYS  16   3.019   4.350   0.004
  107   1HB   CYS  16          2HB       CYS  16   6.012   4.778  -0.140
  108   2HB   CYS  16          1HB       CYS  16   4.998   4.137  -1.428
  109    H    ARG  17           H        ARG  17   3.890   3.506   2.801
  110    HA   ARG  17           HA       ARG  17   4.874   0.835   2.107
  111   1HB   ARG  17          2HB       ARG  17   5.428   2.445   4.610
  112   2HB   ARG  17          1HB       ARG  17   5.937   0.781   4.346
  113   1HG   ARG  17          2HG       ARG  17   7.318   1.468   2.486
  114   2HG   ARG  17          1HG       ARG  17   6.768   3.134   2.671
  115   1HD   ARG  17          2HD       ARG  17   7.784   3.249   4.865
  116   2HD   ARG  17          1HD       ARG  17   8.272   1.557   4.751
  117    HE   ARG  17           HE       ARG  17   9.477   2.535   2.605
  118   1HH1  ARG  17          1HH1      ARG  17   9.241   3.932   5.802
  119   2HH1  ARG  17          2HH1      ARG  17  10.783   4.732   5.716
  120   1HH2  ARG  17          1HH2      ARG  17  11.505   3.576   2.462
  121   2HH2  ARG  17          2HH2      ARG  17  12.102   4.491   3.823
  122    H    GLY  18           H        GLY  18   3.594  -0.781   2.624
  123   1HA   GLY  18          1HA       GLY  18   1.596  -0.402   4.746
  124   2HA   GLY  18          2HA       GLY  18   2.155  -1.956   4.141
  125    H    PHE  19           H        PHE  19   1.904  -0.809   1.334
  126    HA   PHE  19           HA       PHE  19  -0.941  -0.425   1.015
  127   1HB   PHE  19          2HB       PHE  19  -0.450  -0.210  -1.368
  128   2HB   PHE  19          1HB       PHE  19   0.663   0.782  -0.426
  129    HD1  PHE  19          1HD       PHE  19   0.315  -2.092  -2.626
  130    HD2  PHE  19          2HD       PHE  19   3.014   0.156  -0.226
  131    HE1  PHE  19          1HE       PHE  19   2.212  -3.175  -3.752
  132    HE2  PHE  19          2HE       PHE  19   4.919  -0.923  -1.351
  133    HZ   PHE  19           HZ       PHE  19   4.517  -2.604  -3.104
  134    H    LEU  21           H        LEU  21  -2.807  -2.943   1.445
  135    HA   LEU  21           HA       LEU  21  -3.536  -5.536   2.561
  136   1HB   LEU  21          2HB       LEU  21  -2.293  -3.844   3.929
  137   2HB   LEU  21          1HB       LEU  21  -3.695  -2.797   3.840
  138    HG   LEU  21           HG       LEU  21  -5.029  -4.533   5.024
  139   1HD1  LEU  21          3HD1      LEU  21  -3.680  -6.475   4.371
  140   2HD1  LEU  21          2HD1      LEU  21  -2.358  -5.888   5.378
  141   3HD1  LEU  21          1HD1      LEU  21  -3.883  -6.372   6.118
  142   1HD2  LEU  21          3HD2      LEU  21  -2.545  -3.593   6.451
  143   2HD2  LEU  21          2HD2      LEU  21  -4.040  -2.679   6.246
  144   3HD2  LEU  21          1HD2      LEU  21  -4.028  -4.151   7.217
  145    H    CYS  23           H        CYS  23  -5.761  -5.700  -1.138
  146    HA   CYS  23           HA       CYS  23  -5.853  -3.340  -2.710
  147   1HB   CYS  23          2HB       CYS  23  -5.449  -6.133  -3.787
  148   2HB   CYS  23          1HB       CYS  23  -4.837  -4.628  -4.450
  149    H    GLY  24           H        GLY  24  -7.489  -6.473  -3.087
  150   1HA   GLY  24          1HA       GLY  24  -9.311  -6.963  -4.491
  151   2HA   GLY  24          2HA       GLY  24  -9.488  -5.246  -4.831
  152    H    CYS  25           H        CYS  25  -9.167  -4.873  -1.803
  153    HA   CYS  25           HA       CYS  25 -11.543  -6.002  -0.684
  154   1HB   CYS  25          2HB       CYS  25  -9.477  -4.068   0.242
  155   2HB   CYS  25          1HB       CYS  25 -11.003  -4.190   1.119
  156    H    HIS  26           H        HIS  26 -13.063  -5.343  -2.169
  157    HA   HIS  26           HA       HIS  26 -14.163  -2.680  -1.642
  158   1HB   HIS  26          2HB       HIS  26 -13.861  -3.879  -4.409
  159   2HB   HIS  26          1HB       HIS  26 -14.765  -2.419  -4.037
  160    HD1  HIS  26          1HD       HIS  26 -11.575  -3.488  -5.232
  161    HD2  HIS  26          2HD       HIS  26 -12.936  -0.359  -2.837
  162    HE1  HIS  26          1HE       HIS  26  -9.749  -1.759  -5.267
  163    HE2  HIS  26          2HE       HIS  26 -10.662   0.191  -3.953
  164    H    PHE  27           H        PHE  27 -14.622  -5.639  -1.028
  165    HA   PHE  27           HA       PHE  27 -17.414  -5.798  -1.926
  166   1HB   PHE  27          2HB       PHE  27 -15.496  -8.142  -1.903
  167   2HB   PHE  27          1HB       PHE  27 -17.178  -8.164  -2.424
  168    HD1  PHE  27          1HD       PHE  27 -13.779  -7.626  -3.396
  169    HD2  PHE  27          2HD       PHE  27 -17.819  -6.833  -4.472
  170    HE1  PHE  27          1HE       PHE  27 -13.066  -7.141  -5.699
  171    HE2  PHE  27          2HE       PHE  27 -17.114  -6.346  -6.775
  172    HZ   PHE  27           HZ       PHE  27 -14.736  -6.499  -7.389
  173    H    GLY  29           H        GLY  29 -19.800  -8.936   0.621
  174   1HA   GLY  29          1HA       GLY  29 -19.416 -10.916   2.564
  175   2HA   GLY  29          2HA       GLY  29 -18.136 -11.089   1.362
  176    H    LYS  30           H        LYS  30 -19.015 -13.142   0.764
  177    HA   LYS  30           HA       LYS  30 -21.676 -13.189  -0.381
  178   1HB   LYS  30          2HB       LYS  30 -20.289 -12.332  -2.225
  179   2HB   LYS  30          1HB       LYS  30 -19.228 -13.727  -2.077
  180   1HG   LYS  30          2HG       LYS  30 -20.721 -14.060  -3.929
  181   2HG   LYS  30          1HG       LYS  30 -21.135 -15.195  -2.647
  182   1HD   LYS  30          2HD       LYS  30 -22.941 -13.655  -1.932
  183   2HD   LYS  30          1HD       LYS  30 -22.563 -12.618  -3.308
  184   1HE   LYS  30          2HE       LYS  30 -24.432 -14.005  -3.888
  185   2HE   LYS  30          1HE       LYS  30 -23.029 -14.538  -4.812
  186   1HZ   LYS  30          3HZ       LYS  30 -22.709 -16.331  -3.210
  187   2HZ   LYS  30          2HZ       LYS  30 -24.073 -15.821  -2.342
  188   3HZ   LYS  30          1HZ       LYS  30 -24.246 -16.418  -3.920
  189    H    LYS  31           H        LYS  31 -22.578 -15.055   0.116
  190    HA   LYS  31           HA       LYS  31 -20.882 -17.441   0.344
  191   1HB   LYS  31          2HB       LYS  31 -21.361 -16.622   2.603
  192   2HB   LYS  31          1HB       LYS  31 -23.081 -16.623   2.246
  193   1HG   LYS  31          2HG       LYS  31 -23.068 -19.040   2.029
  194   2HG   LYS  31          1HG       LYS  31 -21.323 -19.072   2.298
  195   1HD   LYS  31          2HD       LYS  31 -22.516 -19.657   4.337
  196   2HD   LYS  31          1HD       LYS  31 -21.661 -18.128   4.544
  197   1HE   LYS  31          2HE       LYS  31 -23.782 -16.944   4.035
  198   2HE   LYS  31          1HE       LYS  31 -24.599 -18.505   3.988
  199   1HZ   LYS  31          2HZ       LYS  31 -23.897 -18.865   6.289
  200   2HZ   LYS  31          1HZ       LYS  31 -23.218 -17.314   6.331
  201   3HZ   LYS  31          3HZ       LYS  31 -24.896 -17.503   6.125

  No H/Q in entry =         201