USER  MOD reduce.3.24.130724 H: found=0, std=0, add=177, rem=0, adj=5
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 Set 1.1: A  13 LYS NZ  :NH3+   -153:sc=   0.104   (180deg=0)
USER  MOD Set 1.2: A  15 THR OG1 :   rot   58:sc=   0.599
USER  MOD Single : A  16 HIS     :     no HE2:sc=   -1.01  K(o=-1,f=-1.7)
USER  MOD Single : A  22 ASN     :      amide:sc=       0  X(o=0,f=-0.019)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot  124:sc=  -0.231
USER  MOD -----------------------------------------------------------------
ATOM    175  N   PHE A  11      -0.512  -7.684  -2.482  1.00 31.34           N
ATOM    176  CA  PHE A  11      -0.748  -8.790  -3.403  1.00  3.02           C
ATOM    177  C   PHE A  11      -0.479 -10.130  -2.724  1.00 42.12           C
ATOM    178  O   PHE A  11       0.673 -10.520  -2.531  1.00 11.22           O
ATOM    179  CB  PHE A  11       0.138  -8.646  -4.642  1.00 73.54           C
ATOM    180  CG  PHE A  11      -0.514  -7.883  -5.760  1.00 32.04           C
ATOM    181  CD1 PHE A  11      -1.171  -6.689  -5.510  1.00  1.05           C
ATOM    182  CD2 PHE A  11      -0.471  -8.360  -7.060  1.00  3.12           C
ATOM    183  CE1 PHE A  11      -1.772  -5.984  -6.535  1.00 44.34           C
ATOM    184  CE2 PHE A  11      -1.069  -7.659  -8.090  1.00 11.13           C
ATOM    185  CZ  PHE A  11      -1.721  -6.470  -7.827  1.00 74.00           C
ATOM      0  HA  PHE A  11      -1.794  -8.761  -3.707  1.00  3.02           H   new
ATOM      0  HB2 PHE A  11       1.063  -8.143  -4.361  1.00 73.54           H   new
ATOM      0  HB3 PHE A  11       0.411  -9.638  -5.001  1.00 73.54           H   new
ATOM      0  HD1 PHE A  11      -1.214  -6.305  -4.502  1.00  1.05           H   new
ATOM      0  HD2 PHE A  11       0.036  -9.290  -7.271  1.00  3.12           H   new
ATOM      0  HE1 PHE A  11      -2.281  -5.054  -6.326  1.00 44.34           H   new
ATOM      0  HE2 PHE A  11      -1.027  -8.040  -9.100  1.00 11.13           H   new
ATOM      0  HZ  PHE A  11      -2.190  -5.921  -8.630  1.00 74.00           H   new
ATOM    195  N   ARG A  12      -1.550 -10.830  -2.365  1.00  2.24           N
ATOM    196  CA  ARG A  12      -1.430 -12.125  -1.706  1.00 14.01           C
ATOM    197  C   ARG A  12      -1.541 -13.262  -2.718  1.00  5.31           C
ATOM    198  O   ARG A  12      -1.966 -14.367  -2.383  1.00 33.24           O
ATOM    199  CB  ARG A  12      -2.510 -12.277  -0.633  1.00 11.21           C
ATOM    200  CG  ARG A  12      -1.958 -12.609   0.744  1.00 50.41           C
ATOM    201  CD  ARG A  12      -1.399 -14.022   0.794  1.00 45.30           C
ATOM    202  NE  ARG A  12      -2.439 -15.013   1.053  1.00 61.40           N
ATOM    203  CZ  ARG A  12      -2.241 -16.324   0.970  1.00 34.41           C
ATOM    204  NH1 ARG A  12      -1.049 -16.799   0.638  1.00 41.15           N
ATOM    205  NH2 ARG A  12      -3.238 -17.164   1.221  1.00 50.22           N
ATOM      0  H   ARG A  12      -2.510 -10.522  -2.519  1.00  2.24           H   new
ATOM      0  HA  ARG A  12      -0.449 -12.175  -1.234  1.00 14.01           H   new
ATOM      0  HB2 ARG A  12      -3.083 -11.351  -0.572  1.00 11.21           H   new
ATOM      0  HB3 ARG A  12      -3.203 -13.061  -0.936  1.00 11.21           H   new
ATOM      0  HG2 ARG A  12      -1.175 -11.897   1.004  1.00 50.41           H   new
ATOM      0  HG3 ARG A  12      -2.747 -12.502   1.489  1.00 50.41           H   new
ATOM      0  HD2 ARG A  12      -0.908 -14.251  -0.152  1.00 45.30           H   new
ATOM      0  HD3 ARG A  12      -0.638 -14.083   1.572  1.00 45.30           H   new
ATOM      0  HE  ARG A  12      -3.368 -14.681   1.312  1.00 61.40           H   new
ATOM      0 HH11 ARG A  12      -0.280 -16.157   0.445  1.00 41.15           H   new
ATOM      0 HH12 ARG A  12      -0.901 -17.806   0.575  1.00 41.15           H   new
ATOM      0 HH21 ARG A  12      -4.157 -16.803   1.478  1.00 50.22           H   new
ATOM      0 HH22 ARG A  12      -3.085 -18.170   1.157  1.00 50.22           H   new
ATOM    219  N   LYS A  13      -1.154 -12.982  -3.958  1.00 74.22           N
ATOM    220  CA  LYS A  13      -1.208 -13.980  -5.020  1.00 54.10           C
ATOM    221  C   LYS A  13       0.066 -14.818  -5.045  1.00 11.14           C
ATOM    222  O   LYS A  13       1.162 -14.293  -5.245  1.00 62.42           O
ATOM    223  CB  LYS A  13      -1.411 -13.301  -6.376  1.00 51.34           C
ATOM    224  CG  LYS A  13      -0.372 -12.237  -6.685  1.00 64.34           C
ATOM    225  CD  LYS A  13       0.412 -12.573  -7.943  1.00 42.53           C
ATOM    226  CE  LYS A  13      -0.231 -11.963  -9.180  1.00 21.13           C
ATOM    227  NZ  LYS A  13      -0.471 -12.982 -10.239  1.00 42.43           N
ATOM      0  H   LYS A  13      -0.799 -12.072  -4.252  1.00 74.22           H   new
ATOM      0  HA  LYS A  13      -2.052 -14.640  -4.821  1.00 54.10           H   new
ATOM      0  HB2 LYS A  13      -1.387 -14.059  -7.159  1.00 51.34           H   new
ATOM      0  HB3 LYS A  13      -2.402 -12.847  -6.401  1.00 51.34           H   new
ATOM      0  HG2 LYS A  13      -0.863 -11.272  -6.808  1.00 64.34           H   new
ATOM      0  HG3 LYS A  13       0.313 -12.141  -5.843  1.00 64.34           H   new
ATOM      0  HD2 LYS A  13       1.434 -12.207  -7.845  1.00 42.53           H   new
ATOM      0  HD3 LYS A  13       0.471 -13.655  -8.058  1.00 42.53           H   new
ATOM      0  HE2 LYS A  13      -1.176 -11.495  -8.905  1.00 21.13           H   new
ATOM      0  HE3 LYS A  13       0.412 -11.175  -9.573  1.00 21.13           H   new
ATOM      0  HZ1 LYS A  13      -0.465 -12.522 -11.172  1.00 42.43           H   new
ATOM      0  HZ2 LYS A  13       0.278 -13.703 -10.204  1.00 42.43           H   new
ATOM      0  HZ3 LYS A  13      -1.394 -13.434 -10.083  1.00 42.43           H   new
ATOM    241  N   LEU A  14      -0.085 -16.122  -4.841  1.00 11.11           N
ATOM    242  CA  LEU A  14       1.054 -17.033  -4.841  1.00 61.23           C
ATOM    243  C   LEU A  14       1.228 -17.687  -6.209  1.00 10.25           C
ATOM    244  O   LEU A  14       1.652 -18.839  -6.309  1.00 55.12           O
ATOM    245  CB  LEU A  14       0.872 -18.109  -3.769  1.00  4.53           C
ATOM    246  CG  LEU A  14      -0.430 -18.907  -3.832  1.00 51.15           C
ATOM    247  CD1 LEU A  14      -0.151 -20.395  -3.691  1.00 34.23           C
ATOM    248  CD2 LEU A  14      -1.396 -18.438  -2.754  1.00 73.33           C
ATOM      0  H   LEU A  14      -0.985 -16.572  -4.674  1.00 11.11           H   new
ATOM      0  HA  LEU A  14       1.950 -16.454  -4.618  1.00 61.23           H   new
ATOM      0  HB2 LEU A  14       1.706 -18.807  -3.839  1.00  4.53           H   new
ATOM      0  HB3 LEU A  14       0.936 -17.633  -2.791  1.00  4.53           H   new
ATOM      0  HG  LEU A  14      -0.892 -18.736  -4.804  1.00 51.15           H   new
ATOM      0 HD11 LEU A  14      -1.090 -20.947  -3.738  1.00 34.23           H   new
ATOM      0 HD12 LEU A  14       0.503 -20.721  -4.500  1.00 34.23           H   new
ATOM      0 HD13 LEU A  14       0.334 -20.585  -2.734  1.00 34.23           H   new
ATOM      0 HD21 LEU A  14      -2.317 -19.017  -2.814  1.00 73.33           H   new
ATOM      0 HD22 LEU A  14      -0.942 -18.578  -1.773  1.00 73.33           H   new
ATOM      0 HD23 LEU A  14      -1.621 -17.382  -2.902  1.00 73.33           H   new
ATOM    260  N   THR A  15       0.900 -16.943  -7.261  1.00  1.05           N
ATOM    261  CA  THR A  15       1.021 -17.449  -8.622  1.00 31.11           C
ATOM    262  C   THR A  15       1.978 -16.593  -9.444  1.00 31.32           C
ATOM    263  O   THR A  15       1.556 -15.850 -10.330  1.00 44.34           O
ATOM    264  CB  THR A  15      -0.347 -17.492  -9.329  1.00 31.24           C
ATOM    265  OG1 THR A  15      -0.922 -16.181  -9.364  1.00 21.22           O
ATOM    266  CG2 THR A  15      -1.294 -18.447  -8.617  1.00 63.54           C
ATOM      0  H   THR A  15       0.548 -15.988  -7.196  1.00  1.05           H   new
ATOM      0  HA  THR A  15       1.416 -18.462  -8.548  1.00 31.11           H   new
ATOM      0  HB  THR A  15      -0.194 -17.849 -10.348  1.00 31.24           H   new
ATOM      0  HG1 THR A  15      -0.310 -15.567  -9.822  1.00 21.22           H   new
ATOM      0 HG21 THR A  15      -2.253 -18.461  -9.134  1.00 63.54           H   new
ATOM      0 HG22 THR A  15      -0.867 -19.450  -8.617  1.00 63.54           H   new
ATOM      0 HG23 THR A  15      -1.441 -18.115  -7.589  1.00 63.54           H   new
ATOM    274  N   HIS A  16       3.268 -16.703  -9.145  1.00 24.23           N
ATOM    275  CA  HIS A  16       4.286 -15.939  -9.858  1.00 22.53           C
ATOM    276  C   HIS A  16       4.529 -16.522 -11.247  1.00 33.12           C
ATOM    277  O   HIS A  16       5.574 -17.118 -11.507  1.00 22.04           O
ATOM    278  CB  HIS A  16       5.592 -15.924  -9.063  1.00 64.22           C
ATOM    279  CG  HIS A  16       5.999 -17.272  -8.553  1.00 33.25           C
ATOM    280  ND1 HIS A  16       6.774 -18.150  -9.280  1.00 71.32           N
ATOM    281  CD2 HIS A  16       5.734 -17.891  -7.378  1.00  4.52           C
ATOM    282  CE1 HIS A  16       6.967 -19.251  -8.576  1.00 23.11           C
ATOM    283  NE2 HIS A  16       6.347 -19.119  -7.417  1.00 42.22           N
ATOM      0  H   HIS A  16       3.634 -17.313  -8.414  1.00 24.23           H   new
ATOM      0  HA  HIS A  16       3.926 -14.916  -9.970  1.00 22.53           H   new
ATOM      0  HB2 HIS A  16       6.387 -15.528  -9.695  1.00 64.22           H   new
ATOM      0  HB3 HIS A  16       5.486 -15.242  -8.219  1.00 64.22           H   new
ATOM      0  HD1 HIS A  16       7.141 -17.977 -10.216  1.00 71.32           H   new
ATOM      0  HD2 HIS A  16       5.149 -17.493  -6.562  1.00  4.52           H   new
ATOM      0  HE1 HIS A  16       7.535 -20.113  -8.894  1.00 23.11           H   new
ATOM    291  N   ARG A  17       3.556 -16.346 -12.135  1.00 71.40           N
ATOM    292  CA  ARG A  17       3.663 -16.856 -13.497  1.00 22.54           C
ATOM    293  C   ARG A  17       4.192 -15.780 -14.440  1.00 71.32           C
ATOM    294  O   ARG A  17       5.353 -15.815 -14.850  1.00 51.24           O
ATOM    295  CB  ARG A  17       2.302 -17.355 -13.986  1.00  2.01           C
ATOM    296  CG  ARG A  17       2.090 -18.846 -13.781  1.00 11.03           C
ATOM    297  CD  ARG A  17       1.375 -19.475 -14.966  1.00 64.34           C
ATOM    298  NE  ARG A  17      -0.067 -19.250 -14.919  1.00  3.11           N
ATOM    299  CZ  ARG A  17      -0.915 -19.723 -15.826  1.00  3.24           C
ATOM    300  NH1 ARG A  17      -0.467 -20.444 -16.844  1.00 51.33           N
ATOM    301  NH2 ARG A  17      -2.213 -19.475 -15.714  1.00 35.22           N
ATOM      0  H   ARG A  17       2.685 -15.854 -11.936  1.00 71.40           H   new
ATOM      0  HA  ARG A  17       4.367 -17.688 -13.493  1.00 22.54           H   new
ATOM      0  HB2 ARG A  17       1.516 -16.810 -13.464  1.00  2.01           H   new
ATOM      0  HB3 ARG A  17       2.200 -17.125 -15.046  1.00  2.01           H   new
ATOM      0  HG2 ARG A  17       3.053 -19.335 -13.635  1.00 11.03           H   new
ATOM      0  HG3 ARG A  17       1.508 -19.011 -12.874  1.00 11.03           H   new
ATOM      0  HD2 ARG A  17       1.776 -19.062 -15.892  1.00 64.34           H   new
ATOM      0  HD3 ARG A  17       1.574 -20.547 -14.982  1.00 64.34           H   new
ATOM      0  HE  ARG A  17      -0.444 -18.699 -14.148  1.00  3.11           H   new
ATOM      0 HH11 ARG A  17       0.531 -20.637 -16.932  1.00 51.33           H   new
ATOM      0 HH12 ARG A  17      -1.120 -20.806 -17.539  1.00 51.33           H   new
ATOM      0 HH21 ARG A  17      -2.561 -18.921 -14.931  1.00 35.22           H   new
ATOM      0 HH22 ARG A  17      -2.864 -19.838 -16.411  1.00 35.22           H   new
ATOM    315  N   LEU A  18       3.333 -14.826 -14.781  1.00 41.12           N
ATOM    316  CA  LEU A  18       3.713 -13.739 -15.677  1.00 70.11           C
ATOM    317  C   LEU A  18       3.921 -12.442 -14.902  1.00 65.10           C
ATOM    318  O   LEU A  18       4.715 -11.589 -15.300  1.00 64.41           O
ATOM    319  CB  LEU A  18       2.642 -13.539 -16.750  1.00 53.45           C
ATOM    320  CG  LEU A  18       2.273 -14.776 -17.570  1.00 41.42           C
ATOM    321  CD1 LEU A  18       0.805 -14.735 -17.967  1.00 24.44           C
ATOM    322  CD2 LEU A  18       3.158 -14.881 -18.804  1.00 31.02           C
ATOM      0  H   LEU A  18       2.369 -14.783 -14.451  1.00 41.12           H   new
ATOM      0  HA  LEU A  18       4.654 -14.009 -16.157  1.00 70.11           H   new
ATOM      0  HB2 LEU A  18       1.739 -13.165 -16.268  1.00 53.45           H   new
ATOM      0  HB3 LEU A  18       2.983 -12.762 -17.435  1.00 53.45           H   new
ATOM      0  HG  LEU A  18       2.437 -15.660 -16.953  1.00 41.42           H   new
ATOM      0 HD11 LEU A  18       0.561 -15.623 -18.550  1.00 24.44           H   new
ATOM      0 HD12 LEU A  18       0.186 -14.708 -17.070  1.00 24.44           H   new
ATOM      0 HD13 LEU A  18       0.615 -13.844 -18.566  1.00 24.44           H   new
ATOM      0 HD21 LEU A  18       2.882 -15.767 -19.376  1.00 31.02           H   new
ATOM      0 HD22 LEU A  18       3.026 -13.994 -19.423  1.00 31.02           H   new
ATOM      0 HD23 LEU A  18       4.201 -14.958 -18.498  1.00 31.02           H   new
ATOM    334  N   PHE A  19       3.205 -12.301 -13.792  1.00 11.51           N
ATOM    335  CA  PHE A  19       3.312 -11.108 -12.960  1.00  1.05           C
ATOM    336  C   PHE A  19       4.721 -10.967 -12.390  1.00 52.24           C
ATOM    337  O   PHE A  19       5.207  -9.856 -12.175  1.00 74.25           O
ATOM    338  CB  PHE A  19       2.293 -11.162 -11.820  1.00 35.20           C
ATOM    339  CG  PHE A  19       1.018 -10.427 -12.121  1.00 34.22           C
ATOM    340  CD1 PHE A  19       0.142 -10.898 -13.085  1.00 71.45           C
ATOM    341  CD2 PHE A  19       0.695  -9.265 -11.439  1.00 43.31           C
ATOM    342  CE1 PHE A  19      -1.032 -10.225 -13.365  1.00 14.25           C
ATOM    343  CE2 PHE A  19      -0.478  -8.587 -11.714  1.00 24.15           C
ATOM    344  CZ  PHE A  19      -1.342  -9.067 -12.678  1.00 41.12           C
ATOM      0  H   PHE A  19       2.544 -12.998 -13.448  1.00 11.51           H   new
ATOM      0  HA  PHE A  19       3.102 -10.240 -13.585  1.00  1.05           H   new
ATOM      0  HB2 PHE A  19       2.059 -12.204 -11.601  1.00 35.20           H   new
ATOM      0  HB3 PHE A  19       2.743 -10.740 -10.921  1.00 35.20           H   new
ATOM      0  HD1 PHE A  19       0.380 -11.803 -13.625  1.00 71.45           H   new
ATOM      0  HD2 PHE A  19       1.367  -8.885 -10.684  1.00 43.31           H   new
ATOM      0  HE1 PHE A  19      -1.706 -10.603 -14.119  1.00 14.25           H   new
ATOM      0  HE2 PHE A  19      -0.718  -7.682 -11.175  1.00 24.15           H   new
ATOM      0  HZ  PHE A  19      -2.258  -8.538 -12.895  1.00 41.12           H   new
ATOM    354  N   ARG A  20       5.371 -12.100 -12.148  1.00 70.31           N
ATOM    355  CA  ARG A  20       6.723 -12.104 -11.602  1.00 72.13           C
ATOM    356  C   ARG A  20       7.674 -11.317 -12.500  1.00 34.05           C
ATOM    357  O   ARG A  20       8.663 -10.755 -12.030  1.00 65.42           O
ATOM    358  CB  ARG A  20       7.227 -13.539 -11.442  1.00 31.52           C
ATOM    359  CG  ARG A  20       8.214 -13.714 -10.299  1.00 34.31           C
ATOM    360  CD  ARG A  20       9.078 -14.950 -10.493  1.00 71.33           C
ATOM    361  NE  ARG A  20       9.769 -15.334  -9.265  1.00 52.40           N
ATOM    362  CZ  ARG A  20      10.454 -16.463  -9.129  1.00 64.35           C
ATOM    363  NH1 ARG A  20      10.541 -17.316 -10.141  1.00 54.22           N
ATOM    364  NH2 ARG A  20      11.056 -16.742  -7.980  1.00 41.21           N
ATOM      0  H   ARG A  20       4.983 -13.027 -12.321  1.00 70.31           H   new
ATOM      0  HA  ARG A  20       6.694 -11.625 -10.623  1.00 72.13           H   new
ATOM      0  HB2 ARG A  20       6.375 -14.198 -11.279  1.00 31.52           H   new
ATOM      0  HB3 ARG A  20       7.701 -13.854 -12.372  1.00 31.52           H   new
ATOM      0  HG2 ARG A  20       8.850 -12.832 -10.228  1.00 34.31           H   new
ATOM      0  HG3 ARG A  20       7.671 -13.792  -9.357  1.00 34.31           H   new
ATOM      0  HD2 ARG A  20       8.455 -15.778 -10.832  1.00 71.33           H   new
ATOM      0  HD3 ARG A  20       9.811 -14.760 -11.277  1.00 71.33           H   new
ATOM      0  HE  ARG A  20       9.723 -14.700  -8.468  1.00 52.40           H   new
ATOM      0 HH11 ARG A  20      10.081 -17.105 -11.027  1.00 54.22           H   new
ATOM      0 HH12 ARG A  20      11.068 -18.183 -10.034  1.00 54.22           H   new
ATOM      0 HH21 ARG A  20      10.993 -16.089  -7.199  1.00 41.21           H   new
ATOM      0 HH22 ARG A  20      11.582 -17.610  -7.877  1.00 41.21           H   new
ATOM    378  N   ARG A  21       7.366 -11.282 -13.792  1.00  0.40           N
ATOM    379  CA  ARG A  21       8.194 -10.565 -14.755  1.00 33.31           C
ATOM    380  C   ARG A  21       7.964  -9.060 -14.656  1.00 74.11           C
ATOM    381  O   ARG A  21       8.849  -8.265 -14.969  1.00 73.21           O
ATOM    382  CB  ARG A  21       7.892 -11.046 -16.176  1.00  4.13           C
ATOM    383  CG  ARG A  21       9.121 -11.117 -17.068  1.00 12.20           C
ATOM    384  CD  ARG A  21       8.832 -11.876 -18.354  1.00 25.25           C
ATOM    385  NE  ARG A  21       9.864 -11.654 -19.364  1.00 13.05           N
ATOM    386  CZ  ARG A  21       9.856 -12.229 -20.561  1.00 32.42           C
ATOM    387  NH1 ARG A  21       8.876 -13.057 -20.896  1.00 15.31           N
ATOM    388  NH2 ARG A  21      10.830 -11.977 -21.426  1.00 32.11           N
ATOM      0  H   ARG A  21       6.550 -11.741 -14.196  1.00  0.40           H   new
ATOM      0  HA  ARG A  21       9.239 -10.771 -14.523  1.00 33.31           H   new
ATOM      0  HB2 ARG A  21       7.432 -12.033 -16.127  1.00  4.13           H   new
ATOM      0  HB3 ARG A  21       7.162 -10.376 -16.630  1.00  4.13           H   new
ATOM      0  HG2 ARG A  21       9.457 -10.108 -17.307  1.00 12.20           H   new
ATOM      0  HG3 ARG A  21       9.934 -11.605 -16.531  1.00 12.20           H   new
ATOM      0  HD2 ARG A  21       8.760 -12.942 -18.138  1.00 25.25           H   new
ATOM      0  HD3 ARG A  21       7.865 -11.565 -18.749  1.00 25.25           H   new
ATOM      0  HE  ARG A  21      10.633 -11.023 -19.137  1.00 13.05           H   new
ATOM      0 HH11 ARG A  21       8.126 -13.254 -20.234  1.00 15.31           H   new
ATOM      0 HH12 ARG A  21       8.872 -13.497 -21.816  1.00 15.31           H   new
ATOM      0 HH21 ARG A  21      11.586 -11.341 -21.172  1.00 32.11           H   new
ATOM      0 HH22 ARG A  21      10.823 -12.419 -22.345  1.00 32.11           H   new
ATOM    402  N   ASN A  22       6.768  -8.677 -14.219  1.00 43.23           N
ATOM    403  CA  ASN A  22       6.421  -7.267 -14.080  1.00 62.14           C
ATOM    404  C   ASN A  22       6.842  -6.736 -12.713  1.00 54.45           C
ATOM    405  O   ASN A  22       7.188  -5.563 -12.571  1.00 51.32           O
ATOM    406  CB  ASN A  22       4.917  -7.069 -14.276  1.00 72.24           C
ATOM    407  CG  ASN A  22       4.598  -6.233 -15.501  1.00 23.30           C
ATOM    408  OD1 ASN A  22       5.018  -6.556 -16.613  1.00  1.45           O
ATOM    409  ND2 ASN A  22       3.853  -5.153 -15.302  1.00 13.41           N
ATOM      0  H   ASN A  22       6.024  -9.323 -13.955  1.00 43.23           H   new
ATOM      0  HA  ASN A  22       6.957  -6.709 -14.848  1.00 62.14           H   new
ATOM      0  HB2 ASN A  22       4.434  -8.042 -14.368  1.00 72.24           H   new
ATOM      0  HB3 ASN A  22       4.499  -6.588 -13.392  1.00 72.24           H   new
ATOM      0 HD21 ASN A  22       3.606  -4.552 -16.088  1.00 13.41           H   new
ATOM      0 HD22 ASN A  22       3.527  -4.924 -14.363  1.00 13.41           H   new
ATOM    416  N   PHE A  23       6.809  -7.607 -11.710  1.00 43.35           N
ATOM    417  CA  PHE A  23       7.187  -7.226 -10.354  1.00 55.44           C
ATOM    418  C   PHE A  23       8.610  -6.677 -10.320  1.00 22.54           C
ATOM    419  O   PHE A  23       8.953  -5.862  -9.464  1.00 75.22           O
ATOM    420  CB  PHE A  23       7.067  -8.426  -9.413  1.00 12.53           C
ATOM    421  CG  PHE A  23       5.873  -8.357  -8.503  1.00 63.24           C
ATOM    422  CD1 PHE A  23       5.808  -7.410  -7.494  1.00 20.40           C
ATOM    423  CD2 PHE A  23       4.817  -9.240  -8.658  1.00 33.31           C
ATOM    424  CE1 PHE A  23       4.711  -7.345  -6.656  1.00 11.43           C
ATOM    425  CE2 PHE A  23       3.717  -9.179  -7.823  1.00 40.00           C
ATOM    426  CZ  PHE A  23       3.665  -8.231  -6.820  1.00 14.20           C
ATOM      0  H   PHE A  23       6.524  -8.581 -11.811  1.00 43.35           H   new
ATOM      0  HA  PHE A  23       6.507  -6.442 -10.020  1.00 55.44           H   new
ATOM      0  HB2 PHE A  23       7.009  -9.339 -10.006  1.00 12.53           H   new
ATOM      0  HB3 PHE A  23       7.971  -8.495  -8.808  1.00 12.53           H   new
ATOM      0  HD1 PHE A  23       6.624  -6.715  -7.361  1.00 20.40           H   new
ATOM      0  HD2 PHE A  23       4.853  -9.984  -9.440  1.00 33.31           H   new
ATOM      0  HE1 PHE A  23       4.672  -6.602  -5.873  1.00 11.43           H   new
ATOM      0  HE2 PHE A  23       2.899  -9.872  -7.955  1.00 40.00           H   new
ATOM      0  HZ  PHE A  23       2.808  -8.183  -6.165  1.00 14.20           H   new
ATOM    436  N   GLY A  24       9.436  -7.133 -11.257  1.00  4.33           N
ATOM    437  CA  GLY A  24      10.813  -6.679 -11.316  1.00  5.52           C
ATOM    438  C   GLY A  24      10.922  -5.178 -11.503  1.00 74.20           C
ATOM    439  O   GLY A  24      11.951  -4.579 -11.192  1.00 23.44           O
ATOM      0  H   GLY A  24       9.176  -7.808 -11.976  1.00  4.33           H   new
ATOM      0  HA2 GLY A  24      11.326  -6.966 -10.398  1.00  5.52           H   new
ATOM      0  HA3 GLY A  24      11.323  -7.182 -12.137  1.00  5.52           H   new
ATOM    443  N   TYR A  25       9.858  -4.569 -12.015  1.00 34.45           N
ATOM    444  CA  TYR A  25       9.839  -3.130 -12.247  1.00 33.10           C
ATOM    445  C   TYR A  25       9.443  -2.379 -10.980  1.00 14.23           C
ATOM    446  O   TYR A  25       9.810  -1.219 -10.790  1.00  4.13           O
ATOM    447  CB  TYR A  25       8.870  -2.788 -13.380  1.00 52.00           C
ATOM    448  CG  TYR A  25       9.507  -2.818 -14.751  1.00 54.50           C
ATOM    449  CD1 TYR A  25       9.267  -1.805 -15.672  1.00  0.44           C
ATOM    450  CD2 TYR A  25      10.347  -3.858 -15.126  1.00 72.43           C
ATOM    451  CE1 TYR A  25       9.846  -1.828 -16.926  1.00  1.43           C
ATOM    452  CE2 TYR A  25      10.931  -3.889 -16.378  1.00  3.24           C
ATOM    453  CZ  TYR A  25      10.678  -2.871 -17.274  1.00 32.52           C
ATOM    454  OH  TYR A  25      11.257  -2.899 -18.522  1.00 11.13           O
ATOM      0  H   TYR A  25       8.997  -5.050 -12.277  1.00 34.45           H   new
ATOM      0  HA  TYR A  25      10.845  -2.820 -12.532  1.00 33.10           H   new
ATOM      0  HB2 TYR A  25       8.038  -3.492 -13.360  1.00 52.00           H   new
ATOM      0  HB3 TYR A  25       8.453  -1.796 -13.204  1.00 52.00           H   new
ATOM      0  HD1 TYR A  25       8.617  -0.986 -15.403  1.00  0.44           H   new
ATOM      0  HD2 TYR A  25      10.547  -4.657 -14.427  1.00 72.43           H   new
ATOM      0  HE1 TYR A  25       9.648  -1.033 -17.630  1.00  1.43           H   new
ATOM      0  HE2 TYR A  25      11.582  -4.706 -16.654  1.00  3.24           H   new
ATOM      0  HH  TYR A  25      11.815  -3.700 -18.606  1.00 11.13           H   new
ATOM    464  N   THR A  26       8.690  -3.049 -10.113  1.00 75.10           N
ATOM    465  CA  THR A  26       8.242  -2.447  -8.864  1.00  0.24           C
ATOM    466  C   THR A  26       9.243  -2.699  -7.742  1.00 31.50           C
ATOM    467  O   THR A  26       9.984  -1.800  -7.343  1.00 13.03           O
ATOM    468  CB  THR A  26       6.865  -2.991  -8.439  1.00 53.34           C
ATOM    469  OG1 THR A  26       6.608  -4.238  -9.094  1.00 21.44           O
ATOM    470  CG2 THR A  26       5.763  -1.998  -8.779  1.00 70.30           C
ATOM      0  H   THR A  26       8.378  -4.010 -10.254  1.00 75.10           H   new
ATOM      0  HA  THR A  26       8.161  -1.375  -9.042  1.00  0.24           H   new
ATOM      0  HB  THR A  26       6.876  -3.143  -7.360  1.00 53.34           H   new
ATOM      0  HG1 THR A  26       6.421  -4.928  -8.423  1.00 21.44           H   new
ATOM      0 HG21 THR A  26       4.800  -2.404  -8.470  1.00 70.30           H   new
ATOM      0 HG22 THR A  26       5.946  -1.059  -8.257  1.00 70.30           H   new
ATOM      0 HG23 THR A  26       5.753  -1.819  -9.854  1.00 70.30           H   new
ATOM    478  N   LEU A  27       9.261  -3.928  -7.237  1.00 71.13           N
ATOM    479  CA  LEU A  27      10.173  -4.300  -6.161  1.00 13.22           C
ATOM    480  C   LEU A  27      11.505  -4.788  -6.720  1.00 42.00           C
ATOM    481  O   LEU A  27      12.508  -4.075  -6.673  1.00 72.12           O
ATOM    482  CB  LEU A  27       9.545  -5.386  -5.286  1.00 73.54           C
ATOM    483  CG  LEU A  27       8.778  -4.899  -4.057  1.00  0.34           C
ATOM    484  CD1 LEU A  27       7.278  -4.979  -4.296  1.00 44.40           C
ATOM    485  CD2 LEU A  27       9.168  -5.709  -2.829  1.00 31.00           C
ATOM      0  H   LEU A  27       8.654  -4.684  -7.556  1.00 71.13           H   new
ATOM      0  HA  LEU A  27      10.358  -3.415  -5.553  1.00 13.22           H   new
ATOM      0  HB2 LEU A  27       8.866  -5.974  -5.903  1.00 73.54           H   new
ATOM      0  HB3 LEU A  27      10.336  -6.058  -4.953  1.00 73.54           H   new
ATOM      0  HG  LEU A  27       9.041  -3.856  -3.879  1.00  0.34           H   new
ATOM      0 HD11 LEU A  27       6.749  -4.628  -3.410  1.00 44.40           H   new
ATOM      0 HD12 LEU A  27       7.012  -4.354  -5.149  1.00 44.40           H   new
ATOM      0 HD13 LEU A  27       6.997  -6.012  -4.501  1.00 44.40           H   new
ATOM      0 HD21 LEU A  27       8.612  -5.348  -1.964  1.00 31.00           H   new
ATOM      0 HD22 LEU A  27       8.935  -6.760  -2.998  1.00 31.00           H   new
ATOM      0 HD23 LEU A  27      10.237  -5.599  -2.645  1.00 31.00           H   new
ATOM    497  N   ARG A  28      11.508  -6.007  -7.250  1.00 54.44           N
ATOM    498  CA  ARG A  28      12.716  -6.590  -7.820  1.00  4.42           C
ATOM    499  C   ARG A  28      13.238  -5.740  -8.975  1.00 75.13           C
ATOM    500  O   ARG A  28      14.119  -4.900  -8.793  1.00 14.12           O
ATOM    501  CB  ARG A  28      12.442  -8.015  -8.304  1.00 11.44           C
ATOM    502  CG  ARG A  28      12.826  -9.085  -7.295  1.00 42.11           C
ATOM    503  CD  ARG A  28      14.311  -9.405  -7.361  1.00 63.13           C
ATOM    504  NE  ARG A  28      14.657 -10.570  -6.552  1.00 34.45           N
ATOM    505  CZ  ARG A  28      15.905 -10.951  -6.306  1.00 44.11           C
ATOM    506  NH1 ARG A  28      16.922 -10.262  -6.805  1.00 41.41           N
ATOM    507  NH2 ARG A  28      16.139 -12.023  -5.560  1.00  1.22           N
ATOM      0  H   ARG A  28      10.687  -6.610  -7.296  1.00 54.44           H   new
ATOM      0  HA  ARG A  28      13.477  -6.619  -7.040  1.00  4.42           H   new
ATOM      0  HB2 ARG A  28      11.382  -8.112  -8.539  1.00 11.44           H   new
ATOM      0  HB3 ARG A  28      12.991  -8.187  -9.230  1.00 11.44           H   new
ATOM      0  HG2 ARG A  28      12.569  -8.748  -6.291  1.00 42.11           H   new
ATOM      0  HG3 ARG A  28      12.249  -9.990  -7.485  1.00 42.11           H   new
ATOM      0  HD2 ARG A  28      14.597  -9.586  -8.397  1.00 63.13           H   new
ATOM      0  HD3 ARG A  28      14.883  -8.543  -7.018  1.00 63.13           H   new
ATOM      0  HE  ARG A  28      13.898 -11.122  -6.153  1.00 34.45           H   new
ATOM      0 HH11 ARG A  28      16.747  -9.437  -7.379  1.00 41.41           H   new
ATOM      0 HH12 ARG A  28      17.880 -10.557  -6.615  1.00 41.41           H   new
ATOM      0 HH21 ARG A  28      15.360 -12.556  -5.174  1.00  1.22           H   new
ATOM      0 HH22 ARG A  28      17.098 -12.314  -5.372  1.00  1.22           H   new