USER  MOD reduce.3.24.130724 H: found=0, std=0, add=177, rem=0, adj=3
USER  MOD reduce.3.24.130724 removed 177 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  15 THR OG1 :   rot  -32:sc=   -0.57
USER  MOD Single : A  16 HIS     :     no HD1:sc=   -1.17  X(o=-1.2,f=-1.1)
USER  MOD Single : A  22 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot   47:sc=  -0.188
USER  MOD -----------------------------------------------------------------
ATOM    175  N   PHE A  11      -2.318 -12.034  -5.103  1.00 53.24           N
ATOM    176  CA  PHE A  11      -1.082 -11.952  -5.872  1.00 42.11           C
ATOM    177  C   PHE A  11      -0.515 -13.343  -6.140  1.00 24.04           C
ATOM    178  O   PHE A  11       0.266 -13.538  -7.071  1.00 71.14           O
ATOM    179  CB  PHE A  11      -0.049 -11.102  -5.128  1.00 73.24           C
ATOM    180  CG  PHE A  11      -0.238  -9.625  -5.322  1.00  4.32           C
ATOM    181  CD1 PHE A  11      -0.849  -8.857  -4.344  1.00  3.23           C
ATOM    182  CD2 PHE A  11       0.196  -9.004  -6.482  1.00 40.21           C
ATOM    183  CE1 PHE A  11      -1.023  -7.497  -4.518  1.00 52.24           C
ATOM    184  CE2 PHE A  11       0.025  -7.644  -6.662  1.00 74.22           C
ATOM    185  CZ  PHE A  11      -0.587  -6.890  -5.680  1.00 22.03           C
ATOM      0  HA  PHE A  11      -1.309 -11.481  -6.828  1.00 42.11           H   new
ATOM      0  HB2 PHE A  11      -0.101 -11.330  -4.063  1.00 73.24           H   new
ATOM      0  HB3 PHE A  11       0.950 -11.380  -5.465  1.00 73.24           H   new
ATOM      0  HD1 PHE A  11      -1.194  -9.327  -3.435  1.00  3.23           H   new
ATOM      0  HD2 PHE A  11       0.673  -9.589  -7.254  1.00 40.21           H   new
ATOM      0  HE1 PHE A  11      -1.499  -6.910  -3.747  1.00 52.24           H   new
ATOM      0  HE2 PHE A  11       0.370  -7.172  -7.570  1.00 74.22           H   new
ATOM      0  HZ  PHE A  11      -0.724  -5.828  -5.820  1.00 22.03           H   new
ATOM    195  N   ARG A  12      -0.913 -14.306  -5.315  1.00 64.30           N
ATOM    196  CA  ARG A  12      -0.443 -15.679  -5.461  1.00 12.14           C
ATOM    197  C   ARG A  12      -1.469 -16.528  -6.206  1.00 20.14           C
ATOM    198  O   ARG A  12      -1.468 -17.755  -6.102  1.00 15.00           O
ATOM    199  CB  ARG A  12      -0.159 -16.291  -4.088  1.00 25.40           C
ATOM    200  CG  ARG A  12       0.987 -15.620  -3.347  1.00 73.43           C
ATOM    201  CD  ARG A  12       0.786 -15.679  -1.841  1.00 64.31           C
ATOM    202  NE  ARG A  12       0.325 -14.404  -1.300  1.00 52.30           N
ATOM    203  CZ  ARG A  12       0.101 -14.191  -0.008  1.00 30.40           C
ATOM    204  NH1 ARG A  12       0.296 -15.165   0.871  1.00 52.13           N
ATOM    205  NH2 ARG A  12      -0.318 -13.003   0.407  1.00 12.14           N
ATOM      0  H   ARG A  12      -1.559 -14.161  -4.539  1.00 64.30           H   new
ATOM      0  HA  ARG A  12       0.479 -15.662  -6.042  1.00 12.14           H   new
ATOM      0  HB2 ARG A  12      -1.060 -16.229  -3.478  1.00 25.40           H   new
ATOM      0  HB3 ARG A  12       0.070 -17.350  -4.212  1.00 25.40           H   new
ATOM      0  HG2 ARG A  12       1.926 -16.107  -3.609  1.00 73.43           H   new
ATOM      0  HG3 ARG A  12       1.068 -14.580  -3.664  1.00 73.43           H   new
ATOM      0  HD2 ARG A  12       0.061 -16.457  -1.602  1.00 64.31           H   new
ATOM      0  HD3 ARG A  12       1.724 -15.959  -1.361  1.00 64.31           H   new
ATOM      0  HE  ARG A  12       0.166 -13.634  -1.950  1.00 52.30           H   new
ATOM      0 HH11 ARG A  12       0.619 -16.080   0.555  1.00 52.13           H   new
ATOM      0 HH12 ARG A  12       0.123 -14.999   1.863  1.00 52.13           H   new
ATOM      0 HH21 ARG A  12      -0.469 -12.252  -0.266  1.00 12.14           H   new
ATOM      0 HH22 ARG A  12      -0.490 -12.841   1.399  1.00 12.14           H   new
ATOM    219  N   LYS A  13      -2.343 -15.867  -6.956  1.00 74.04           N
ATOM    220  CA  LYS A  13      -3.375 -16.559  -7.720  1.00 23.41           C
ATOM    221  C   LYS A  13      -2.928 -16.780  -9.162  1.00 15.12           C
ATOM    222  O   LYS A  13      -2.530 -17.883  -9.537  1.00 62.22           O
ATOM    223  CB  LYS A  13      -4.680 -15.760  -7.695  1.00 64.32           C
ATOM    224  CG  LYS A  13      -5.784 -16.372  -8.540  1.00 23.21           C
ATOM    225  CD  LYS A  13      -6.024 -17.828  -8.175  1.00  4.53           C
ATOM    226  CE  LYS A  13      -7.497 -18.101  -7.913  1.00 43.01           C
ATOM    227  NZ  LYS A  13      -7.842 -19.533  -8.129  1.00 22.53           N
ATOM      0  H   LYS A  13      -2.358 -14.852  -7.052  1.00 74.04           H   new
ATOM      0  HA  LYS A  13      -3.544 -17.532  -7.258  1.00 23.41           H   new
ATOM      0  HB2 LYS A  13      -5.026 -15.677  -6.665  1.00 64.32           H   new
ATOM      0  HB3 LYS A  13      -4.483 -14.747  -8.047  1.00 64.32           H   new
ATOM      0  HG2 LYS A  13      -6.705 -15.805  -8.403  1.00 23.21           H   new
ATOM      0  HG3 LYS A  13      -5.519 -16.299  -9.595  1.00 23.21           H   new
ATOM      0  HD2 LYS A  13      -5.672 -18.470  -8.983  1.00  4.53           H   new
ATOM      0  HD3 LYS A  13      -5.442 -18.083  -7.289  1.00  4.53           H   new
ATOM      0  HE2 LYS A  13      -7.742 -17.819  -6.889  1.00 43.01           H   new
ATOM      0  HE3 LYS A  13      -8.104 -17.478  -8.570  1.00 43.01           H   new
ATOM      0  HZ1 LYS A  13      -8.854 -19.678  -7.940  1.00 22.53           H   new
ATOM      0  HZ2 LYS A  13      -7.632 -19.796  -9.113  1.00 22.53           H   new
ATOM      0  HZ3 LYS A  13      -7.281 -20.126  -7.485  1.00 22.53           H   new
ATOM    241  N   LEU A  14      -2.997 -15.724  -9.965  1.00 63.22           N
ATOM    242  CA  LEU A  14      -2.598 -15.802 -11.366  1.00 60.03           C
ATOM    243  C   LEU A  14      -1.469 -14.821 -11.667  1.00 31.25           C
ATOM    244  O   LEU A  14      -0.616 -15.080 -12.516  1.00 51.14           O
ATOM    245  CB  LEU A  14      -3.795 -15.513 -12.274  1.00 63.43           C
ATOM    246  CG  LEU A  14      -4.459 -14.148 -12.095  1.00 34.00           C
ATOM    247  CD1 LEU A  14      -3.884 -13.141 -13.078  1.00 41.15           C
ATOM    248  CD2 LEU A  14      -5.967 -14.262 -12.267  1.00 31.25           C
ATOM      0  H   LEU A  14      -3.325 -14.804  -9.670  1.00 63.22           H   new
ATOM      0  HA  LEU A  14      -2.238 -16.812 -11.560  1.00 60.03           H   new
ATOM      0  HB2 LEU A  14      -3.469 -15.603 -13.310  1.00 63.43           H   new
ATOM      0  HB3 LEU A  14      -4.546 -16.285 -12.108  1.00 63.43           H   new
ATOM      0  HG  LEU A  14      -4.254 -13.796 -11.084  1.00 34.00           H   new
ATOM      0 HD11 LEU A  14      -4.369 -12.175 -12.935  1.00 41.15           H   new
ATOM      0 HD12 LEU A  14      -2.812 -13.037 -12.908  1.00 41.15           H   new
ATOM      0 HD13 LEU A  14      -4.058 -13.487 -14.097  1.00 41.15           H   new
ATOM      0 HD21 LEU A  14      -6.423 -13.281 -12.136  1.00 31.25           H   new
ATOM      0 HD22 LEU A  14      -6.192 -14.637 -13.266  1.00 31.25           H   new
ATOM      0 HD23 LEU A  14      -6.367 -14.950 -11.523  1.00 31.25           H   new
ATOM    260  N   THR A  15      -1.468 -13.694 -10.962  1.00 12.13           N
ATOM    261  CA  THR A  15      -0.444 -12.675 -11.152  1.00 10.45           C
ATOM    262  C   THR A  15       0.947 -13.234 -10.874  1.00 34.01           C
ATOM    263  O   THR A  15       1.923 -12.842 -11.513  1.00  5.01           O
ATOM    264  CB  THR A  15      -0.687 -11.457 -10.239  1.00 61.53           C
ATOM    265  OG1 THR A  15      -0.366 -11.789  -8.884  1.00 34.52           O
ATOM    266  CG2 THR A  15      -2.134 -10.997 -10.325  1.00 52.14           C
ATOM      0  H   THR A  15      -2.165 -13.464 -10.254  1.00 12.13           H   new
ATOM      0  HA  THR A  15      -0.504 -12.358 -12.193  1.00 10.45           H   new
ATOM      0  HB  THR A  15      -0.043 -10.644 -10.575  1.00 61.53           H   new
ATOM      0  HG1 THR A  15      -0.561 -12.736  -8.724  1.00 34.52           H   new
ATOM      0 HG21 THR A  15      -2.282 -10.137  -9.672  1.00 52.14           H   new
ATOM      0 HG22 THR A  15      -2.366 -10.717 -11.353  1.00 52.14           H   new
ATOM      0 HG23 THR A  15      -2.793 -11.807 -10.012  1.00 52.14           H   new
ATOM    274  N   HIS A  16       1.029 -14.153  -9.917  1.00 65.21           N
ATOM    275  CA  HIS A  16       2.302 -14.768  -9.556  1.00 11.02           C
ATOM    276  C   HIS A  16       2.815 -15.658 -10.684  1.00 32.33           C
ATOM    277  O   HIS A  16       3.963 -16.101 -10.665  1.00  5.33           O
ATOM    278  CB  HIS A  16       2.151 -15.586  -8.273  1.00 61.10           C
ATOM    279  CG  HIS A  16       3.080 -15.160  -7.178  1.00 63.33           C
ATOM    280  ND1 HIS A  16       4.447 -15.328  -7.244  1.00 44.50           N
ATOM    281  CD2 HIS A  16       2.832 -14.569  -5.986  1.00 71.12           C
ATOM    282  CE1 HIS A  16       5.000 -14.859  -6.139  1.00 73.30           C
ATOM    283  NE2 HIS A  16       4.041 -14.393  -5.359  1.00 51.13           N
ATOM      0  H   HIS A  16       0.230 -14.488  -9.378  1.00 65.21           H   new
ATOM      0  HA  HIS A  16       3.027 -13.972  -9.387  1.00 11.02           H   new
ATOM      0  HB2 HIS A  16       1.123 -15.504  -7.919  1.00 61.10           H   new
ATOM      0  HB3 HIS A  16       2.328 -16.638  -8.499  1.00 61.10           H   new
ATOM      0  HD2 HIS A  16       1.863 -14.288  -5.600  1.00 71.12           H   new
ATOM      0  HE1 HIS A  16       6.056 -14.857  -5.912  1.00 73.30           H   new
ATOM      0  HE2 HIS A  16       4.177 -13.971  -4.440  1.00 51.13           H   new
ATOM    291  N   ARG A  17       1.956 -15.917 -11.664  1.00 35.21           N
ATOM    292  CA  ARG A  17       2.321 -16.756 -12.799  1.00 23.33           C
ATOM    293  C   ARG A  17       3.303 -16.032 -13.716  1.00 74.51           C
ATOM    294  O   ARG A  17       4.086 -16.664 -14.427  1.00 54.21           O
ATOM    295  CB  ARG A  17       1.073 -17.159 -13.586  1.00 11.01           C
ATOM    296  CG  ARG A  17       1.248 -18.433 -14.396  1.00 21.34           C
ATOM    297  CD  ARG A  17      -0.079 -19.142 -14.613  1.00 35.45           C
ATOM    298  NE  ARG A  17       0.091 -20.431 -15.279  1.00 13.13           N
ATOM    299  CZ  ARG A  17      -0.918 -21.238 -15.586  1.00 74.14           C
ATOM    300  NH1 ARG A  17      -2.163 -20.891 -15.290  1.00 32.32           N
ATOM    301  NH2 ARG A  17      -0.683 -22.395 -16.193  1.00 13.24           N
ATOM      0  H   ARG A  17       1.002 -15.558 -11.695  1.00 35.21           H   new
ATOM      0  HA  ARG A  17       2.804 -17.654 -12.414  1.00 23.33           H   new
ATOM      0  HB2 ARG A  17       0.243 -17.291 -12.892  1.00 11.01           H   new
ATOM      0  HB3 ARG A  17       0.800 -16.346 -14.258  1.00 11.01           H   new
ATOM      0  HG2 ARG A  17       1.696 -18.194 -15.361  1.00 21.34           H   new
ATOM      0  HG3 ARG A  17       1.939 -19.101 -13.881  1.00 21.34           H   new
ATOM      0  HD2 ARG A  17      -0.571 -19.293 -13.652  1.00 35.45           H   new
ATOM      0  HD3 ARG A  17      -0.735 -18.509 -15.211  1.00 35.45           H   new
ATOM      0  HE  ARG A  17       1.036 -20.727 -15.521  1.00 13.13           H   new
ATOM      0 HH11 ARG A  17      -2.348 -20.002 -14.825  1.00 32.32           H   new
ATOM      0 HH12 ARG A  17      -2.936 -21.513 -15.527  1.00 32.32           H   new
ATOM      0 HH21 ARG A  17       0.273 -22.665 -16.424  1.00 13.24           H   new
ATOM      0 HH22 ARG A  17      -1.459 -23.014 -16.428  1.00 13.24           H   new
ATOM    315  N   LEU A  18       3.254 -14.705 -13.696  1.00 24.15           N
ATOM    316  CA  LEU A  18       4.139 -13.894 -14.526  1.00 33.54           C
ATOM    317  C   LEU A  18       5.006 -12.980 -13.666  1.00 73.11           C
ATOM    318  O   LEU A  18       6.151 -12.687 -14.012  1.00 35.41           O
ATOM    319  CB  LEU A  18       3.321 -13.060 -15.513  1.00 73.31           C
ATOM    320  CG  LEU A  18       2.021 -12.464 -14.972  1.00 52.23           C
ATOM    321  CD1 LEU A  18       1.835 -11.042 -15.478  1.00 41.31           C
ATOM    322  CD2 LEU A  18       0.833 -13.331 -15.364  1.00 11.52           C
ATOM      0  H   LEU A  18       2.611 -14.167 -13.115  1.00 24.15           H   new
ATOM      0  HA  LEU A  18       4.793 -14.566 -15.082  1.00 33.54           H   new
ATOM      0  HB2 LEU A  18       3.948 -12.245 -15.876  1.00 73.31           H   new
ATOM      0  HB3 LEU A  18       3.081 -13.684 -16.373  1.00 73.31           H   new
ATOM      0  HG  LEU A  18       2.082 -12.436 -13.884  1.00 52.23           H   new
ATOM      0 HD11 LEU A  18       0.905 -10.634 -15.083  1.00 41.31           H   new
ATOM      0 HD12 LEU A  18       2.671 -10.426 -15.147  1.00 41.31           H   new
ATOM      0 HD13 LEU A  18       1.796 -11.046 -16.567  1.00 41.31           H   new
ATOM      0 HD21 LEU A  18      -0.084 -12.892 -14.971  1.00 11.52           H   new
ATOM      0 HD22 LEU A  18       0.769 -13.391 -16.450  1.00 11.52           H   new
ATOM      0 HD23 LEU A  18       0.961 -14.332 -14.952  1.00 11.52           H   new
ATOM    334  N   PHE A  19       4.453 -12.533 -12.543  1.00 61.41           N
ATOM    335  CA  PHE A  19       5.176 -11.653 -11.633  1.00 23.12           C
ATOM    336  C   PHE A  19       6.437 -12.332 -11.107  1.00 24.23           C
ATOM    337  O   PHE A  19       7.398 -11.667 -10.718  1.00 54.23           O
ATOM    338  CB  PHE A  19       4.278 -11.244 -10.464  1.00 31.45           C
ATOM    339  CG  PHE A  19       3.400 -10.064 -10.766  1.00 71.03           C
ATOM    340  CD1 PHE A  19       3.371  -8.969  -9.918  1.00 22.34           C
ATOM    341  CD2 PHE A  19       2.603 -10.050 -11.900  1.00 13.54           C
ATOM    342  CE1 PHE A  19       2.565  -7.881 -10.193  1.00 75.25           C
ATOM    343  CE2 PHE A  19       1.795  -8.964 -12.181  1.00 35.22           C
ATOM    344  CZ  PHE A  19       1.774  -7.879 -11.326  1.00 64.32           C
ATOM      0  H   PHE A  19       3.507 -12.766 -12.242  1.00 61.41           H   new
ATOM      0  HA  PHE A  19       5.469 -10.761 -12.186  1.00 23.12           H   new
ATOM      0  HB2 PHE A  19       3.651 -12.091 -10.184  1.00 31.45           H   new
ATOM      0  HB3 PHE A  19       4.902 -11.011  -9.601  1.00 31.45           H   new
ATOM      0  HD1 PHE A  19       3.986  -8.966  -9.030  1.00 22.34           H   new
ATOM      0  HD2 PHE A  19       2.613 -10.896 -12.571  1.00 13.54           H   new
ATOM      0  HE1 PHE A  19       2.553  -7.034  -9.524  1.00 75.25           H   new
ATOM      0  HE2 PHE A  19       1.180  -8.964 -13.069  1.00 35.22           H   new
ATOM      0  HZ  PHE A  19       1.141  -7.031 -11.543  1.00 64.32           H   new
ATOM    354  N   ARG A  20       6.426 -13.661 -11.097  1.00 23.22           N
ATOM    355  CA  ARG A  20       7.568 -14.431 -10.617  1.00 35.10           C
ATOM    356  C   ARG A  20       8.770 -14.252 -11.539  1.00 23.32           C
ATOM    357  O   ARG A  20       9.918 -14.341 -11.102  1.00 60.13           O
ATOM    358  CB  ARG A  20       7.204 -15.914 -10.517  1.00 51.23           C
ATOM    359  CG  ARG A  20       7.131 -16.428  -9.089  1.00 23.30           C
ATOM    360  CD  ARG A  20       8.276 -17.381  -8.781  1.00 73.33           C
ATOM    361  NE  ARG A  20       8.092 -18.681  -9.421  1.00 23.54           N
ATOM    362  CZ  ARG A  20       9.050 -19.597  -9.511  1.00 60.44           C
ATOM    363  NH1 ARG A  20      10.252 -19.357  -9.006  1.00 40.11           N
ATOM    364  NH2 ARG A  20       8.806 -20.757 -10.108  1.00 61.21           N
ATOM      0  H   ARG A  20       5.639 -14.227 -11.416  1.00 23.22           H   new
ATOM      0  HA  ARG A  20       7.834 -14.062  -9.627  1.00 35.10           H   new
ATOM      0  HB2 ARG A  20       6.242 -16.077 -11.002  1.00 51.23           H   new
ATOM      0  HB3 ARG A  20       7.941 -16.498 -11.067  1.00 51.23           H   new
ATOM      0  HG2 ARG A  20       7.160 -15.587  -8.396  1.00 23.30           H   new
ATOM      0  HG3 ARG A  20       6.180 -16.937  -8.933  1.00 23.30           H   new
ATOM      0  HD2 ARG A  20       9.215 -16.941  -9.117  1.00 73.33           H   new
ATOM      0  HD3 ARG A  20       8.356 -17.516  -7.702  1.00 73.33           H   new
ATOM      0  HE  ARG A  20       7.179 -18.897  -9.820  1.00 23.54           H   new
ATOM      0 HH11 ARG A  20      10.444 -18.467  -8.547  1.00 40.11           H   new
ATOM      0 HH12 ARG A  20      10.985 -20.063  -9.077  1.00 40.11           H   new
ATOM      0 HH21 ARG A  20       7.883 -20.946 -10.498  1.00 61.21           H   new
ATOM      0 HH22 ARG A  20       9.542 -21.460 -10.177  1.00 61.21           H   new
ATOM    378  N   ARG A  21       8.499 -14.000 -12.815  1.00 72.51           N
ATOM    379  CA  ARG A  21       9.558 -13.811 -13.799  1.00  3.04           C
ATOM    380  C   ARG A  21       9.486 -12.416 -14.414  1.00 21.44           C
ATOM    381  O   ARG A  21       9.946 -12.197 -15.533  1.00 40.42           O
ATOM    382  CB  ARG A  21       9.459 -14.870 -14.898  1.00 34.54           C
ATOM    383  CG  ARG A  21      10.750 -15.064 -15.676  1.00 13.00           C
ATOM    384  CD  ARG A  21      10.882 -16.489 -16.189  1.00 63.24           C
ATOM    385  NE  ARG A  21      11.350 -16.531 -17.572  1.00 73.44           N
ATOM    386  CZ  ARG A  21      11.227 -17.596 -18.358  1.00 14.24           C
ATOM    387  NH1 ARG A  21      10.654 -18.700 -17.898  1.00 54.34           N
ATOM    388  NH2 ARG A  21      11.677 -17.557 -19.605  1.00 72.12           N
ATOM      0  H   ARG A  21       7.554 -13.922 -13.192  1.00 72.51           H   new
ATOM      0  HA  ARG A  21      10.516 -13.916 -13.289  1.00  3.04           H   new
ATOM      0  HB2 ARG A  21       9.169 -15.820 -14.450  1.00 34.54           H   new
ATOM      0  HB3 ARG A  21       8.666 -14.589 -15.591  1.00 34.54           H   new
ATOM      0  HG2 ARG A  21      10.778 -14.370 -16.516  1.00 13.00           H   new
ATOM      0  HG3 ARG A  21      11.600 -14.826 -15.037  1.00 13.00           H   new
ATOM      0  HD2 ARG A  21      11.576 -17.040 -15.554  1.00 63.24           H   new
ATOM      0  HD3 ARG A  21       9.917 -16.991 -16.117  1.00 63.24           H   new
ATOM      0  HE  ARG A  21      11.796 -15.698 -17.956  1.00 73.44           H   new
ATOM      0 HH11 ARG A  21      10.307 -18.733 -16.940  1.00 54.34           H   new
ATOM      0 HH12 ARG A  21      10.561 -19.516 -18.503  1.00 54.34           H   new
ATOM      0 HH21 ARG A  21      12.118 -16.709 -19.962  1.00 72.12           H   new
ATOM      0 HH22 ARG A  21      11.582 -18.375 -20.207  1.00 72.12           H   new
ATOM    402  N   ASN A  22       8.905 -11.478 -13.673  1.00 72.12           N
ATOM    403  CA  ASN A  22       8.771 -10.105 -14.146  1.00 43.01           C
ATOM    404  C   ASN A  22       9.565  -9.146 -13.264  1.00 62.20           C
ATOM    405  O   ASN A  22       9.865  -8.021 -13.665  1.00 23.35           O
ATOM    406  CB  ASN A  22       7.298  -9.693 -14.170  1.00  0.34           C
ATOM    407  CG  ASN A  22       6.787  -9.455 -15.577  1.00 53.33           C
ATOM    408  OD1 ASN A  22       6.744 -10.372 -16.397  1.00 54.14           O
ATOM    409  ND2 ASN A  22       6.396  -8.218 -15.864  1.00 22.14           N
ATOM      0  H   ASN A  22       8.520 -11.643 -12.743  1.00 72.12           H   new
ATOM      0  HA  ASN A  22       9.171 -10.055 -15.159  1.00 43.01           H   new
ATOM      0  HB2 ASN A  22       6.699 -10.470 -13.695  1.00  0.34           H   new
ATOM      0  HB3 ASN A  22       7.168  -8.785 -13.581  1.00  0.34           H   new
ATOM      0 HD21 ASN A  22       6.043  -7.998 -16.795  1.00 22.14           H   new
ATOM      0 HD22 ASN A  22       6.449  -7.488 -15.153  1.00 22.14           H   new
ATOM    416  N   PHE A  23       9.903  -9.600 -12.061  1.00 40.54           N
ATOM    417  CA  PHE A  23      10.662  -8.782 -11.122  1.00 30.42           C
ATOM    418  C   PHE A  23      11.908  -8.204 -11.787  1.00 32.32           C
ATOM    419  O   PHE A  23      12.292  -7.065 -11.527  1.00 14.24           O
ATOM    420  CB  PHE A  23      11.061  -9.611  -9.899  1.00 32.11           C
ATOM    421  CG  PHE A  23      12.078 -10.674 -10.201  1.00 71.20           C
ATOM    422  CD1 PHE A  23      13.424 -10.452  -9.961  1.00 42.31           C
ATOM    423  CD2 PHE A  23      11.688 -11.896 -10.725  1.00 54.14           C
ATOM    424  CE1 PHE A  23      14.363 -11.428 -10.238  1.00 12.04           C
ATOM    425  CE2 PHE A  23      12.622 -12.876 -11.003  1.00 55.04           C
ATOM    426  CZ  PHE A  23      13.961 -12.641 -10.760  1.00 71.44           C
ATOM      0  H   PHE A  23       9.664 -10.529 -11.714  1.00 40.54           H   new
ATOM      0  HA  PHE A  23      10.027  -7.956 -10.802  1.00 30.42           H   new
ATOM      0  HB2 PHE A  23      11.459  -8.945  -9.133  1.00 32.11           H   new
ATOM      0  HB3 PHE A  23      10.170 -10.080  -9.482  1.00 32.11           H   new
ATOM      0  HD1 PHE A  23      13.744  -9.505  -9.552  1.00 42.31           H   new
ATOM      0  HD2 PHE A  23      10.642 -12.085 -10.918  1.00 54.14           H   new
ATOM      0  HE1 PHE A  23      15.409 -11.242 -10.046  1.00 12.04           H   new
ATOM      0  HE2 PHE A  23      12.305 -13.825 -11.410  1.00 55.04           H   new
ATOM      0  HZ  PHE A  23      14.692 -13.405 -10.978  1.00 71.44           H   new
ATOM    436  N   GLY A  24      12.536  -9.000 -12.647  1.00 72.30           N
ATOM    437  CA  GLY A  24      13.732  -8.552 -13.336  1.00 12.33           C
ATOM    438  C   GLY A  24      13.541  -7.211 -14.016  1.00 14.41           C
ATOM    439  O   GLY A  24      14.494  -6.451 -14.184  1.00 44.53           O
ATOM      0  H   GLY A  24      12.238  -9.947 -12.879  1.00 72.30           H   new
ATOM      0  HA2 GLY A  24      14.553  -8.481 -12.623  1.00 12.33           H   new
ATOM      0  HA3 GLY A  24      14.019  -9.295 -14.080  1.00 12.33           H   new
ATOM    443  N   TYR A  25      12.306  -6.920 -14.409  1.00 53.53           N
ATOM    444  CA  TYR A  25      11.993  -5.663 -15.079  1.00 43.41           C
ATOM    445  C   TYR A  25      11.905  -4.517 -14.075  1.00 22.51           C
ATOM    446  O   TYR A  25      12.257  -3.378 -14.381  1.00 51.33           O
ATOM    447  CB  TYR A  25      10.677  -5.784 -15.848  1.00 54.20           C
ATOM    448  CG  TYR A  25      10.841  -6.335 -17.246  1.00 75.14           C
ATOM    449  CD1 TYR A  25      11.554  -7.506 -17.473  1.00 53.13           C
ATOM    450  CD2 TYR A  25      10.283  -5.685 -18.341  1.00 24.14           C
ATOM    451  CE1 TYR A  25      11.707  -8.013 -18.749  1.00 71.12           C
ATOM    452  CE2 TYR A  25      10.430  -6.186 -19.620  1.00  2.23           C
ATOM    453  CZ  TYR A  25      11.143  -7.350 -19.819  1.00 12.21           C
ATOM    454  OH  TYR A  25      11.292  -7.851 -21.092  1.00  5.03           O
ATOM      0  H   TYR A  25      11.505  -7.537 -14.275  1.00 53.53           H   new
ATOM      0  HA  TYR A  25      12.798  -5.446 -15.781  1.00 43.41           H   new
ATOM      0  HB2 TYR A  25       9.998  -6.428 -15.290  1.00 54.20           H   new
ATOM      0  HB3 TYR A  25      10.208  -4.802 -15.906  1.00 54.20           H   new
ATOM      0  HD1 TYR A  25      11.996  -8.029 -16.638  1.00 53.13           H   new
ATOM      0  HD2 TYR A  25       9.725  -4.773 -18.189  1.00 24.14           H   new
ATOM      0  HE1 TYR A  25      12.265  -8.924 -18.908  1.00 71.12           H   new
ATOM      0  HE2 TYR A  25       9.989  -5.669 -20.460  1.00  2.23           H   new
ATOM      0  HH  TYR A  25      10.833  -7.265 -21.730  1.00  5.03           H   new
ATOM    464  N   THR A  26      11.433  -4.829 -12.872  1.00 21.13           N
ATOM    465  CA  THR A  26      11.297  -3.828 -11.821  1.00 64.11           C
ATOM    466  C   THR A  26      12.636  -3.556 -11.145  1.00  2.10           C
ATOM    467  O   THR A  26      12.961  -2.411 -10.827  1.00 24.22           O
ATOM    468  CB  THR A  26      10.277  -4.268 -10.755  1.00 14.33           C
ATOM    469  OG1 THR A  26      10.028  -5.674 -10.864  1.00 43.34           O
ATOM    470  CG2 THR A  26       8.970  -3.503 -10.908  1.00 63.44           C
ATOM      0  H   THR A  26      11.138  -5.767 -12.601  1.00 21.13           H   new
ATOM      0  HA  THR A  26      10.941  -2.915 -12.298  1.00 64.11           H   new
ATOM      0  HB  THR A  26      10.695  -4.049  -9.773  1.00 14.33           H   new
ATOM      0  HG1 THR A  26      10.880  -6.152 -10.945  1.00 43.34           H   new
ATOM      0 HG21 THR A  26       8.265  -3.831 -10.144  1.00 63.44           H   new
ATOM      0 HG22 THR A  26       9.158  -2.435 -10.794  1.00 63.44           H   new
ATOM      0 HG23 THR A  26       8.550  -3.694 -11.895  1.00 63.44           H   new
ATOM    478  N   LEU A  27      13.410  -4.614 -10.928  1.00 40.32           N
ATOM    479  CA  LEU A  27      14.716  -4.489 -10.290  1.00 12.52           C
ATOM    480  C   LEU A  27      15.656  -3.635 -11.135  1.00 54.21           C
ATOM    481  O   LEU A  27      16.516  -2.931 -10.606  1.00 31.13           O
ATOM    482  CB  LEU A  27      15.329  -5.871 -10.063  1.00 64.34           C
ATOM    483  CG  LEU A  27      15.607  -6.253  -8.609  1.00 13.42           C
ATOM    484  CD1 LEU A  27      15.474  -7.755  -8.416  1.00 61.33           C
ATOM    485  CD2 LEU A  27      16.990  -5.779  -8.188  1.00 23.21           C
ATOM      0  H   LEU A  27      13.156  -5.568 -11.184  1.00 40.32           H   new
ATOM      0  HA  LEU A  27      14.577  -3.998  -9.327  1.00 12.52           H   new
ATOM      0  HB2 LEU A  27      14.661  -6.617 -10.492  1.00 64.34           H   new
ATOM      0  HB3 LEU A  27      16.266  -5.926 -10.617  1.00 64.34           H   new
ATOM      0  HG  LEU A  27      14.868  -5.760  -7.977  1.00 13.42           H   new
ATOM      0 HD11 LEU A  27      15.676  -8.007  -7.375  1.00 61.33           H   new
ATOM      0 HD12 LEU A  27      14.462  -8.067  -8.676  1.00 61.33           H   new
ATOM      0 HD13 LEU A  27      16.189  -8.269  -9.059  1.00 61.33           H   new
ATOM      0 HD21 LEU A  27      17.171  -6.060  -7.150  1.00 23.21           H   new
ATOM      0 HD22 LEU A  27      17.743  -6.242  -8.825  1.00 23.21           H   new
ATOM      0 HD23 LEU A  27      17.049  -4.695  -8.286  1.00 23.21           H   new
ATOM    497  N   ARG A  28      15.484  -3.701 -12.451  1.00 54.43           N
ATOM    498  CA  ARG A  28      16.316  -2.933 -13.370  1.00 13.11           C
ATOM    499  C   ARG A  28      15.519  -1.798 -14.007  1.00 35.42           C
ATOM    500  O   ARG A  28      16.061  -0.731 -14.295  1.00 72.52           O
ATOM    501  CB  ARG A  28      16.885  -3.844 -14.459  1.00 22.23           C
ATOM    502  CG  ARG A  28      18.274  -4.376 -14.143  1.00 52.33           C
ATOM    503  CD  ARG A  28      18.208  -5.708 -13.413  1.00 11.21           C
ATOM    504  NE  ARG A  28      19.026  -6.729 -14.062  1.00  1.24           N
ATOM    505  CZ  ARG A  28      18.902  -8.030 -13.825  1.00 74.01           C
ATOM    506  NH1 ARG A  28      17.997  -8.466 -12.960  1.00 75.41           N
ATOM    507  NH2 ARG A  28      19.683  -8.898 -14.455  1.00 42.21           N
ATOM      0  H   ARG A  28      14.776  -4.278 -12.905  1.00 54.43           H   new
ATOM      0  HA  ARG A  28      17.139  -2.501 -12.800  1.00 13.11           H   new
ATOM      0  HB2 ARG A  28      16.208  -4.685 -14.608  1.00 22.23           H   new
ATOM      0  HB3 ARG A  28      16.921  -3.294 -15.399  1.00 22.23           H   new
ATOM      0  HG2 ARG A  28      18.838  -4.494 -15.068  1.00 52.33           H   new
ATOM      0  HG3 ARG A  28      18.812  -3.651 -13.532  1.00 52.33           H   new
ATOM      0  HD2 ARG A  28      18.543  -5.575 -12.384  1.00 11.21           H   new
ATOM      0  HD3 ARG A  28      17.173  -6.047 -13.369  1.00 11.21           H   new
ATOM      0  HE  ARG A  28      19.731  -6.426 -14.734  1.00  1.24           H   new
ATOM      0 HH11 ARG A  28      17.394  -7.802 -12.475  1.00 75.41           H   new
ATOM      0 HH12 ARG A  28      17.904  -9.466 -12.780  1.00 75.41           H   new
ATOM      0 HH21 ARG A  28      20.380  -8.566 -15.122  1.00 42.21           H   new
ATOM      0 HH22 ARG A  28      19.587  -9.897 -14.272  1.00 42.21           H   new