USER  MOD reduce.3.24.130724 H: found=0, std=0, add=177, rem=0, adj=4
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   53:sc=   0.546
USER  MOD Single : A  16 HIS     :     no HD1:sc=   -2.25  K(o=-2.3,f=-4.5)
USER  MOD Single : A  22 ASN     :FLIP  amide:sc=   0.885  F(o=0,f=0.88)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot   40:sc=   0.412
USER  MOD -----------------------------------------------------------------
ATOM    175  N   PHE A  11      -0.972  -8.962  -5.370  1.00 44.22           N
ATOM    176  CA  PHE A  11      -0.836  -9.237  -6.796  1.00 32.01           C
ATOM    177  C   PHE A  11       0.115 -10.406  -7.036  1.00 41.32           C
ATOM    178  O   PHE A  11      -0.024 -11.143  -8.012  1.00 53.34           O
ATOM    179  CB  PHE A  11      -0.331  -7.994  -7.531  1.00 41.02           C
ATOM    180  CG  PHE A  11      -1.090  -7.693  -8.791  1.00 55.15           C
ATOM    181  CD1 PHE A  11      -1.022  -8.549  -9.879  1.00 33.35           C
ATOM    182  CD2 PHE A  11      -1.872  -6.553  -8.889  1.00 72.13           C
ATOM    183  CE1 PHE A  11      -1.720  -8.275 -11.040  1.00 33.43           C
ATOM    184  CE2 PHE A  11      -2.573  -6.274 -10.048  1.00 23.34           C
ATOM    185  CZ  PHE A  11      -2.496  -7.136 -11.125  1.00  3.34           C
ATOM      0  HA  PHE A  11      -1.818  -9.505  -7.184  1.00 32.01           H   new
ATOM      0  HB2 PHE A  11      -0.396  -7.135  -6.863  1.00 41.02           H   new
ATOM      0  HB3 PHE A  11       0.723  -8.129  -7.775  1.00 41.02           H   new
ATOM      0  HD1 PHE A  11      -0.416  -9.441  -9.819  1.00 33.35           H   new
ATOM      0  HD2 PHE A  11      -1.935  -5.875  -8.051  1.00 72.13           H   new
ATOM      0  HE1 PHE A  11      -1.659  -8.951 -11.880  1.00 33.43           H   new
ATOM      0  HE2 PHE A  11      -3.180  -5.383 -10.111  1.00 23.34           H   new
ATOM      0  HZ  PHE A  11      -3.042  -6.919 -12.032  1.00  3.34           H   new
ATOM    195  N   ARG A  12       1.082 -10.568  -6.139  1.00 41.31           N
ATOM    196  CA  ARG A  12       2.058 -11.645  -6.254  1.00 11.23           C
ATOM    197  C   ARG A  12       1.981 -12.579  -5.049  1.00 51.35           C
ATOM    198  O   ARG A  12       2.953 -13.253  -4.709  1.00 45.42           O
ATOM    199  CB  ARG A  12       3.471 -11.071  -6.378  1.00 15.10           C
ATOM    200  CG  ARG A  12       4.010 -10.495  -5.079  1.00 64.20           C
ATOM    201  CD  ARG A  12       5.227 -11.266  -4.591  1.00 70.21           C
ATOM    202  NE  ARG A  12       5.489 -11.035  -3.173  1.00 34.51           N
ATOM    203  CZ  ARG A  12       6.466 -11.632  -2.499  1.00 50.24           C
ATOM    204  NH1 ARG A  12       7.270 -12.490  -3.112  1.00 42.40           N
ATOM    205  NH2 ARG A  12       6.641 -11.370  -1.210  1.00 52.04           N
ATOM      0  H   ARG A  12       1.211  -9.967  -5.325  1.00 41.31           H   new
ATOM      0  HA  ARG A  12       1.826 -12.218  -7.152  1.00 11.23           H   new
ATOM      0  HB2 ARG A  12       4.144 -11.856  -6.725  1.00 15.10           H   new
ATOM      0  HB3 ARG A  12       3.472 -10.291  -7.139  1.00 15.10           H   new
ATOM      0  HG2 ARG A  12       4.276  -9.448  -5.226  1.00 64.20           H   new
ATOM      0  HG3 ARG A  12       3.231 -10.522  -4.317  1.00 64.20           H   new
ATOM      0  HD2 ARG A  12       5.074 -12.331  -4.762  1.00 70.21           H   new
ATOM      0  HD3 ARG A  12       6.100 -10.972  -5.174  1.00 70.21           H   new
ATOM      0  HE  ARG A  12       4.889 -10.379  -2.673  1.00 34.51           H   new
ATOM      0 HH11 ARG A  12       7.139 -12.693  -4.103  1.00 42.40           H   new
ATOM      0 HH12 ARG A  12       8.019 -12.947  -2.593  1.00 42.40           H   new
ATOM      0 HH21 ARG A  12       6.025 -10.710  -0.736  1.00 52.04           H   new
ATOM      0 HH22 ARG A  12       7.391 -11.829  -0.694  1.00 52.04           H   new
ATOM    219  N   LYS A  13       0.818 -12.613  -4.408  1.00 20.25           N
ATOM    220  CA  LYS A  13       0.612 -13.464  -3.242  1.00 21.14           C
ATOM    221  C   LYS A  13       0.596 -14.937  -3.639  1.00 10.32           C
ATOM    222  O   LYS A  13       1.564 -15.663  -3.409  1.00 11.02           O
ATOM    223  CB  LYS A  13      -0.700 -13.099  -2.543  1.00 42.13           C
ATOM    224  CG  LYS A  13      -1.096 -14.072  -1.446  1.00 54.25           C
ATOM    225  CD  LYS A  13       0.002 -14.218  -0.407  1.00 62.40           C
ATOM    226  CE  LYS A  13      -0.506 -13.899   0.990  1.00 35.44           C
ATOM    227  NZ  LYS A  13       0.610 -13.719   1.959  1.00 31.44           N
ATOM      0  H   LYS A  13       0.003 -12.061  -4.676  1.00 20.25           H   new
ATOM      0  HA  LYS A  13       1.441 -13.300  -2.553  1.00 21.14           H   new
ATOM      0  HB2 LYS A  13      -0.609 -12.100  -2.116  1.00 42.13           H   new
ATOM      0  HB3 LYS A  13      -1.498 -13.057  -3.285  1.00 42.13           H   new
ATOM      0  HG2 LYS A  13      -2.010 -13.726  -0.964  1.00 54.25           H   new
ATOM      0  HG3 LYS A  13      -1.315 -15.046  -1.884  1.00 54.25           H   new
ATOM      0  HD2 LYS A  13       0.393 -15.235  -0.430  1.00 62.40           H   new
ATOM      0  HD3 LYS A  13       0.829 -13.553  -0.655  1.00 62.40           H   new
ATOM      0  HE2 LYS A  13      -1.109 -12.992   0.959  1.00 35.44           H   new
ATOM      0  HE3 LYS A  13      -1.157 -14.703   1.332  1.00 35.44           H   new
ATOM      0  HZ1 LYS A  13       0.222 -13.503   2.899  1.00 31.44           H   new
ATOM      0  HZ2 LYS A  13       1.171 -14.593   2.009  1.00 31.44           H   new
ATOM      0  HZ3 LYS A  13       1.218 -12.935   1.647  1.00 31.44           H   new
ATOM    241  N   LEU A  14      -0.508 -15.371  -4.237  1.00 23.20           N
ATOM    242  CA  LEU A  14      -0.649 -16.758  -4.668  1.00 50.31           C
ATOM    243  C   LEU A  14      -0.796 -16.844  -6.184  1.00 24.52           C
ATOM    244  O   LEU A  14      -0.486 -17.870  -6.791  1.00 71.13           O
ATOM    245  CB  LEU A  14      -1.859 -17.403  -3.990  1.00  1.44           C
ATOM    246  CG  LEU A  14      -3.223 -16.812  -4.347  1.00 51.42           C
ATOM    247  CD1 LEU A  14      -4.177 -17.906  -4.801  1.00 65.11           C
ATOM    248  CD2 LEU A  14      -3.803 -16.054  -3.162  1.00 14.10           C
ATOM      0  H   LEU A  14      -1.318 -14.783  -4.434  1.00 23.20           H   new
ATOM      0  HA  LEU A  14       0.253 -17.297  -4.377  1.00 50.31           H   new
ATOM      0  HB2 LEU A  14      -1.868 -18.464  -4.241  1.00  1.44           H   new
ATOM      0  HB3 LEU A  14      -1.726 -17.332  -2.910  1.00  1.44           H   new
ATOM      0  HG  LEU A  14      -3.089 -16.111  -5.171  1.00 51.42           H   new
ATOM      0 HD11 LEU A  14      -5.143 -17.466  -5.051  1.00 65.11           H   new
ATOM      0 HD12 LEU A  14      -3.767 -18.405  -5.679  1.00 65.11           H   new
ATOM      0 HD13 LEU A  14      -4.306 -18.632  -3.999  1.00 65.11           H   new
ATOM      0 HD21 LEU A  14      -4.774 -15.640  -3.435  1.00 14.10           H   new
ATOM      0 HD22 LEU A  14      -3.922 -16.734  -2.318  1.00 14.10           H   new
ATOM      0 HD23 LEU A  14      -3.129 -15.244  -2.883  1.00 14.10           H   new
ATOM    260  N   THR A  15      -1.268 -15.760  -6.791  1.00  1.03           N
ATOM    261  CA  THR A  15      -1.454 -15.713  -8.235  1.00 54.34           C
ATOM    262  C   THR A  15      -0.555 -14.659  -8.872  1.00 13.14           C
ATOM    263  O   THR A  15      -1.029 -13.620  -9.333  1.00 34.13           O
ATOM    264  CB  THR A  15      -2.919 -15.411  -8.603  1.00 55.20           C
ATOM    265  OG1 THR A  15      -3.322 -14.163  -8.027  1.00 32.43           O
ATOM    266  CG2 THR A  15      -3.839 -16.521  -8.116  1.00 52.54           C
ATOM      0  H   THR A  15      -1.529 -14.902  -6.304  1.00  1.03           H   new
ATOM      0  HA  THR A  15      -1.185 -16.697  -8.620  1.00 54.34           H   new
ATOM      0  HB  THR A  15      -2.993 -15.350  -9.689  1.00 55.20           H   new
ATOM      0  HG1 THR A  15      -2.686 -13.463  -8.285  1.00 32.43           H   new
ATOM      0 HG21 THR A  15      -4.868 -16.286  -8.387  1.00 52.54           H   new
ATOM      0 HG22 THR A  15      -3.548 -17.464  -8.579  1.00 52.54           H   new
ATOM      0 HG23 THR A  15      -3.761 -16.609  -7.032  1.00 52.54           H   new
ATOM    274  N   HIS A  16       0.745 -14.933  -8.894  1.00 43.13           N
ATOM    275  CA  HIS A  16       1.711 -14.008  -9.476  1.00 44.21           C
ATOM    276  C   HIS A  16       1.661 -14.057 -11.000  1.00 53.22           C
ATOM    277  O   HIS A  16       2.602 -14.516 -11.648  1.00 33.13           O
ATOM    278  CB  HIS A  16       3.123 -14.339  -8.990  1.00 52.13           C
ATOM    279  CG  HIS A  16       3.462 -15.795  -9.082  1.00 14.10           C
ATOM    280  ND1 HIS A  16       2.831 -16.661  -9.950  1.00 63.12           N
ATOM    281  CD2 HIS A  16       4.373 -16.536  -8.409  1.00 14.01           C
ATOM    282  CE1 HIS A  16       3.339 -17.872  -9.806  1.00 34.31           C
ATOM    283  NE2 HIS A  16       4.276 -17.823  -8.877  1.00 22.41           N
ATOM      0  H   HIS A  16       1.154 -15.788  -8.516  1.00 43.13           H   new
ATOM      0  HA  HIS A  16       1.450 -13.000  -9.154  1.00 44.21           H   new
ATOM      0  HB2 HIS A  16       3.843 -13.769  -9.577  1.00 52.13           H   new
ATOM      0  HB3 HIS A  16       3.227 -14.015  -7.955  1.00 52.13           H   new
ATOM      0  HD2 HIS A  16       5.050 -16.181  -7.646  1.00 14.01           H   new
ATOM      0  HE1 HIS A  16       3.039 -18.752 -10.355  1.00 34.31           H   new
ATOM      0  HE2 HIS A  16       4.837 -18.613  -8.559  1.00 22.41           H   new
ATOM    291  N   ARG A  17       0.556 -13.581 -11.566  1.00 63.33           N
ATOM    292  CA  ARG A  17       0.383 -13.573 -13.014  1.00 15.02           C
ATOM    293  C   ARG A  17       1.576 -12.917 -13.701  1.00  4.50           C
ATOM    294  O   ARG A  17       2.419 -13.596 -14.288  1.00 64.20           O
ATOM    295  CB  ARG A  17      -0.904 -12.836 -13.390  1.00 74.41           C
ATOM    296  CG  ARG A  17      -2.075 -13.763 -13.676  1.00 11.24           C
ATOM    297  CD  ARG A  17      -2.905 -13.266 -14.849  1.00 34.12           C
ATOM    298  NE  ARG A  17      -4.322 -13.158 -14.510  1.00 61.51           N
ATOM    299  CZ  ARG A  17      -5.154 -14.194 -14.492  1.00 50.24           C
ATOM    300  NH1 ARG A  17      -4.713 -15.408 -14.792  1.00 14.11           N
ATOM    301  NH2 ARG A  17      -6.430 -14.016 -14.174  1.00  2.20           N
ATOM      0  H   ARG A  17      -0.232 -13.196 -11.044  1.00 63.33           H   new
ATOM      0  HA  ARG A  17       0.315 -14.607 -13.352  1.00 15.02           H   new
ATOM      0  HB2 ARG A  17      -1.176 -12.160 -12.579  1.00 74.41           H   new
ATOM      0  HB3 ARG A  17      -0.716 -12.220 -14.269  1.00 74.41           H   new
ATOM      0  HG2 ARG A  17      -1.703 -14.765 -13.890  1.00 11.24           H   new
ATOM      0  HG3 ARG A  17      -2.705 -13.840 -12.790  1.00 11.24           H   new
ATOM      0  HD2 ARG A  17      -2.534 -12.293 -15.169  1.00 34.12           H   new
ATOM      0  HD3 ARG A  17      -2.785 -13.946 -15.692  1.00 34.12           H   new
ATOM      0  HE  ARG A  17      -4.693 -12.237 -14.274  1.00 61.51           H   new
ATOM      0 HH11 ARG A  17      -3.733 -15.548 -15.037  1.00 14.11           H   new
ATOM      0 HH12 ARG A  17      -5.354 -16.201 -14.777  1.00 14.11           H   new
ATOM      0 HH21 ARG A  17      -6.773 -13.083 -13.943  1.00  2.20           H   new
ATOM      0 HH22 ARG A  17      -7.068 -14.812 -14.160  1.00  2.20           H   new
ATOM    315  N   LEU A  18       1.642 -11.592 -13.624  1.00 54.03           N
ATOM    316  CA  LEU A  18       2.732 -10.843 -14.239  1.00 51.31           C
ATOM    317  C   LEU A  18       3.614 -10.195 -13.177  1.00  3.11           C
ATOM    318  O   LEU A  18       4.111  -9.083 -13.361  1.00 31.41           O
ATOM    319  CB  LEU A  18       2.175  -9.772 -15.178  1.00 51.44           C
ATOM    320  CG  LEU A  18       1.333 -10.278 -16.350  1.00 63.22           C
ATOM    321  CD1 LEU A  18      -0.149 -10.114 -16.053  1.00 71.40           C
ATOM    322  CD2 LEU A  18       1.707  -9.546 -17.631  1.00 14.32           C
ATOM      0  H   LEU A  18       0.953 -11.015 -13.142  1.00 54.03           H   new
ATOM      0  HA  LEU A  18       3.340 -11.541 -14.814  1.00 51.31           H   new
ATOM      0  HB2 LEU A  18       1.567  -9.083 -14.591  1.00 51.44           H   new
ATOM      0  HB3 LEU A  18       3.011  -9.198 -15.578  1.00 51.44           H   new
ATOM      0  HG  LEU A  18       1.539 -11.339 -16.489  1.00 63.22           H   new
ATOM      0 HD11 LEU A  18      -0.732 -10.479 -16.898  1.00 71.40           H   new
ATOM      0 HD12 LEU A  18      -0.407 -10.685 -15.161  1.00 71.40           H   new
ATOM      0 HD13 LEU A  18      -0.372  -9.060 -15.887  1.00 71.40           H   new
ATOM      0 HD21 LEU A  18       1.098  -9.919 -18.454  1.00 14.32           H   new
ATOM      0 HD22 LEU A  18       1.531  -8.478 -17.504  1.00 14.32           H   new
ATOM      0 HD23 LEU A  18       2.760  -9.716 -17.853  1.00 14.32           H   new
ATOM    334  N   PHE A  19       3.807 -10.898 -12.066  1.00 30.11           N
ATOM    335  CA  PHE A  19       4.631 -10.392 -10.974  1.00 72.22           C
ATOM    336  C   PHE A  19       5.829 -11.304 -10.729  1.00 63.44           C
ATOM    337  O   PHE A  19       6.891 -10.851 -10.303  1.00  3.22           O
ATOM    338  CB  PHE A  19       3.800 -10.268  -9.695  1.00 62.42           C
ATOM    339  CG  PHE A  19       3.380  -8.860  -9.387  1.00 51.43           C
ATOM    340  CD1 PHE A  19       2.317  -8.278 -10.058  1.00 55.52           C
ATOM    341  CD2 PHE A  19       4.049  -8.117  -8.427  1.00 73.34           C
ATOM    342  CE1 PHE A  19       1.927  -6.981  -9.777  1.00 71.51           C
ATOM    343  CE2 PHE A  19       3.663  -6.821  -8.142  1.00 24.13           C
ATOM    344  CZ  PHE A  19       2.602  -6.252  -8.818  1.00 61.13           C
ATOM      0  H   PHE A  19       3.404 -11.820 -11.898  1.00 30.11           H   new
ATOM      0  HA  PHE A  19       4.999  -9.406 -11.257  1.00 72.22           H   new
ATOM      0  HB2 PHE A  19       2.911 -10.892  -9.787  1.00 62.42           H   new
ATOM      0  HB3 PHE A  19       4.378 -10.658  -8.857  1.00 62.42           H   new
ATOM      0  HD1 PHE A  19       1.786  -8.844 -10.810  1.00 55.52           H   new
ATOM      0  HD2 PHE A  19       4.881  -8.556  -7.896  1.00 73.34           H   new
ATOM      0  HE1 PHE A  19       1.096  -6.539 -10.307  1.00 71.51           H   new
ATOM      0  HE2 PHE A  19       4.191  -6.253  -7.390  1.00 24.13           H   new
ATOM      0  HZ  PHE A  19       2.301  -5.239  -8.597  1.00 61.13           H   new
ATOM    354  N   ARG A  20       5.650 -12.593 -11.002  1.00  1.20           N
ATOM    355  CA  ARG A  20       6.715 -13.570 -10.810  1.00  1.30           C
ATOM    356  C   ARG A  20       7.925 -13.232 -11.677  1.00 31.45           C
ATOM    357  O   ARG A  20       9.065 -13.506 -11.301  1.00 41.33           O
ATOM    358  CB  ARG A  20       6.212 -14.976 -11.142  1.00 44.23           C
ATOM    359  CG  ARG A  20       6.890 -16.071 -10.335  1.00 73.32           C
ATOM    360  CD  ARG A  20       8.275 -16.388 -10.878  1.00 55.10           C
ATOM    361  NE  ARG A  20       8.673 -17.763 -10.592  1.00 22.41           N
ATOM    362  CZ  ARG A  20       9.920 -18.207 -10.709  1.00 50.40           C
ATOM    363  NH1 ARG A  20      10.884 -17.387 -11.104  1.00 42.21           N
ATOM    364  NH2 ARG A  20      10.204 -19.472 -10.430  1.00 64.32           N
ATOM      0  H   ARG A  20       4.777 -12.984 -11.357  1.00  1.20           H   new
ATOM      0  HA  ARG A  20       7.019 -13.539  -9.764  1.00  1.30           H   new
ATOM      0  HB2 ARG A  20       5.137 -15.019 -10.966  1.00 44.23           H   new
ATOM      0  HB3 ARG A  20       6.369 -15.168 -12.203  1.00 44.23           H   new
ATOM      0  HG2 ARG A  20       6.969 -15.761  -9.293  1.00 73.32           H   new
ATOM      0  HG3 ARG A  20       6.276 -16.971 -10.354  1.00 73.32           H   new
ATOM      0  HD2 ARG A  20       8.288 -16.223 -11.955  1.00 55.10           H   new
ATOM      0  HD3 ARG A  20       9.001 -15.702 -10.442  1.00 55.10           H   new
ATOM      0  HE  ARG A  20       7.955 -18.419 -10.286  1.00 22.41           H   new
ATOM      0 HH11 ARG A  20      10.669 -16.413 -11.319  1.00 42.21           H   new
ATOM      0 HH12 ARG A  20      11.841 -17.730 -11.193  1.00 42.21           H   new
ATOM      0 HH21 ARG A  20       9.465 -20.105 -10.125  1.00 64.32           H   new
ATOM      0 HH22 ARG A  20      11.162 -19.812 -10.520  1.00 64.32           H   new
ATOM    378  N   ARG A  21       7.668 -12.638 -12.837  1.00 12.31           N
ATOM    379  CA  ARG A  21       8.735 -12.265 -13.757  1.00 42.14           C
ATOM    380  C   ARG A  21       9.234 -10.852 -13.468  1.00 31.21           C
ATOM    381  O   ARG A  21      10.408 -10.545 -13.669  1.00 10.34           O
ATOM    382  CB  ARG A  21       8.246 -12.358 -15.204  1.00 30.22           C
ATOM    383  CG  ARG A  21       7.104 -11.407 -15.523  1.00 43.12           C
ATOM    384  CD  ARG A  21       6.615 -11.584 -16.952  1.00 51.11           C
ATOM    385  NE  ARG A  21       5.303 -12.223 -17.006  1.00 31.20           N
ATOM    386  CZ  ARG A  21       4.561 -12.287 -18.106  1.00 41.10           C
ATOM    387  NH1 ARG A  21       5.000 -11.753 -19.238  1.00 23.44           N
ATOM    388  NH2 ARG A  21       3.377 -12.886 -18.076  1.00  3.33           N
ATOM      0  H   ARG A  21       6.730 -12.405 -13.162  1.00 12.31           H   new
ATOM      0  HA  ARG A  21       9.562 -12.960 -13.614  1.00 42.14           H   new
ATOM      0  HB2 ARG A  21       9.080 -12.149 -15.874  1.00 30.22           H   new
ATOM      0  HB3 ARG A  21       7.924 -13.380 -15.405  1.00 30.22           H   new
ATOM      0  HG2 ARG A  21       6.280 -11.581 -14.831  1.00 43.12           H   new
ATOM      0  HG3 ARG A  21       7.433 -10.379 -15.375  1.00 43.12           H   new
ATOM      0  HD2 ARG A  21       6.565 -10.611 -17.441  1.00 51.11           H   new
ATOM      0  HD3 ARG A  21       7.334 -12.184 -17.509  1.00 51.11           H   new
ATOM      0  HE  ARG A  21       4.936 -12.643 -16.152  1.00 31.20           H   new
ATOM      0 HH11 ARG A  21       5.909 -11.292 -19.265  1.00 23.44           H   new
ATOM      0 HH12 ARG A  21       4.428 -11.804 -20.081  1.00 23.44           H   new
ATOM      0 HH21 ARG A  21       3.036 -13.298 -17.208  1.00  3.33           H   new
ATOM      0 HH22 ARG A  21       2.808 -12.934 -18.921  1.00  3.33           H   new
ATOM    402  N   ASN A  22       8.333  -9.997 -12.996  1.00 34.13           N
ATOM    403  CA  ASN A  22       8.681  -8.617 -12.680  1.00 12.43           C
ATOM    404  C   ASN A  22       9.767  -8.561 -11.609  1.00 54.24           C
ATOM    405  O   ASN A  22      10.605  -7.659 -11.607  1.00 22.41           O
ATOM    406  CB  ASN A  22       7.443  -7.852 -12.207  1.00 32.04           C
ATOM    407  CG  ASN A  22       7.003  -6.793 -13.199  1.00 72.22           C
ATOM    408  OD1 ASN A  22       7.779  -5.721 -13.303  1.00 54.50           O   flip
ATOM    409  ND2 ASN A  22       5.978  -6.939 -13.865  1.00 12.44           N   flip
ATOM      0  H   ASN A  22       7.356 -10.236 -12.824  1.00 34.13           H   new
ATOM      0  HA  ASN A  22       9.065  -8.149 -13.586  1.00 12.43           H   new
ATOM      0  HB2 ASN A  22       6.626  -8.555 -12.044  1.00 32.04           H   new
ATOM      0  HB3 ASN A  22       7.655  -7.381 -11.247  1.00 32.04           H   new
ATOM      0 HD21 ASN A  22       5.412  -7.780 -13.752  1.00 12.44           H   new
ATOM      0 HD22 ASN A  22       5.695  -6.219 -14.530  1.00 12.44           H   new
ATOM    416  N   PHE A  23       9.745  -9.531 -10.701  1.00 51.32           N
ATOM    417  CA  PHE A  23      10.727  -9.592  -9.625  1.00 30.40           C
ATOM    418  C   PHE A  23      12.142  -9.702 -10.186  1.00 10.05           C
ATOM    419  O   PHE A  23      13.110  -9.300  -9.541  1.00 54.52           O
ATOM    420  CB  PHE A  23      10.436 -10.782  -8.708  1.00 20.20           C
ATOM    421  CG  PHE A  23       9.838 -10.389  -7.387  1.00 70.15           C
ATOM    422  CD1 PHE A  23      10.548 -10.564  -6.211  1.00 20.33           C
ATOM    423  CD2 PHE A  23       8.565  -9.845  -7.323  1.00  4.30           C
ATOM    424  CE1 PHE A  23      10.001 -10.203  -4.994  1.00 32.32           C
ATOM    425  CE2 PHE A  23       8.013  -9.481  -6.109  1.00 62.42           C
ATOM    426  CZ  PHE A  23       8.731  -9.662  -4.943  1.00 62.11           C
ATOM      0  H   PHE A  23       9.058 -10.285 -10.689  1.00 51.32           H   new
ATOM      0  HA  PHE A  23      10.655  -8.670  -9.047  1.00 30.40           H   new
ATOM      0  HB2 PHE A  23       9.756 -11.465  -9.217  1.00 20.20           H   new
ATOM      0  HB3 PHE A  23      11.362 -11.329  -8.530  1.00 20.20           H   new
ATOM      0  HD1 PHE A  23      11.541 -10.988  -6.245  1.00 20.33           H   new
ATOM      0  HD2 PHE A  23       7.998  -9.704  -8.231  1.00  4.30           H   new
ATOM      0  HE1 PHE A  23      10.566 -10.344  -4.084  1.00 32.32           H   new
ATOM      0  HE2 PHE A  23       7.021  -9.055  -6.072  1.00 62.42           H   new
ATOM      0  HZ  PHE A  23       8.300  -9.381  -3.993  1.00 62.11           H   new
ATOM    436  N   GLY A  24      12.254 -10.251 -11.391  1.00 53.14           N
ATOM    437  CA  GLY A  24      13.553 -10.405 -12.019  1.00  2.11           C
ATOM    438  C   GLY A  24      14.296  -9.089 -12.144  1.00 71.44           C
ATOM    439  O   GLY A  24      15.526  -9.065 -12.192  1.00 70.14           O
ATOM      0  H   GLY A  24      11.468 -10.592 -11.944  1.00 53.14           H   new
ATOM      0  HA2 GLY A  24      14.154 -11.104 -11.437  1.00  2.11           H   new
ATOM      0  HA3 GLY A  24      13.425 -10.842 -13.009  1.00  2.11           H   new
ATOM    443  N   TYR A  25      13.548  -7.993 -12.199  1.00 43.15           N
ATOM    444  CA  TYR A  25      14.143  -6.668 -12.325  1.00  3.44           C
ATOM    445  C   TYR A  25      14.647  -6.167 -10.974  1.00 41.14           C
ATOM    446  O   TYR A  25      15.568  -5.352 -10.904  1.00 52.03           O
ATOM    447  CB  TYR A  25      13.126  -5.681 -12.900  1.00 13.14           C
ATOM    448  CG  TYR A  25      13.109  -5.640 -14.411  1.00 31.30           C
ATOM    449  CD1 TYR A  25      13.155  -4.431 -15.093  1.00 50.24           C
ATOM    450  CD2 TYR A  25      13.046  -6.811 -15.157  1.00 12.04           C
ATOM    451  CE1 TYR A  25      13.139  -4.389 -16.474  1.00 41.42           C
ATOM    452  CE2 TYR A  25      13.031  -6.778 -16.537  1.00 60.45           C
ATOM    453  CZ  TYR A  25      13.078  -5.565 -17.192  1.00 14.04           C
ATOM    454  OH  TYR A  25      13.062  -5.528 -18.567  1.00 74.21           O
ATOM      0  H   TYR A  25      12.529  -7.996 -12.158  1.00 43.15           H   new
ATOM      0  HA  TYR A  25      14.992  -6.742 -13.005  1.00  3.44           H   new
ATOM      0  HB2 TYR A  25      12.132  -5.947 -12.541  1.00 13.14           H   new
ATOM      0  HB3 TYR A  25      13.346  -4.683 -12.520  1.00 13.14           H   new
ATOM      0  HD1 TYR A  25      13.204  -3.508 -14.534  1.00 50.24           H   new
ATOM      0  HD2 TYR A  25      13.008  -7.763 -14.648  1.00 12.04           H   new
ATOM      0  HE1 TYR A  25      13.174  -3.440 -16.989  1.00 41.42           H   new
ATOM      0  HE2 TYR A  25      12.983  -7.698 -17.101  1.00 60.45           H   new
ATOM      0  HH  TYR A  25      13.018  -6.442 -18.918  1.00 74.21           H   new
ATOM    464  N   THR A  26      14.037  -6.661  -9.902  1.00 33.51           N
ATOM    465  CA  THR A  26      14.421  -6.265  -8.553  1.00 62.51           C
ATOM    466  C   THR A  26      15.511  -7.178  -8.002  1.00 12.03           C
ATOM    467  O   THR A  26      16.362  -6.746  -7.223  1.00 52.31           O
ATOM    468  CB  THR A  26      13.215  -6.288  -7.595  1.00 70.54           C
ATOM    469  OG1 THR A  26      12.218  -7.193  -8.085  1.00  3.15           O
ATOM    470  CG2 THR A  26      12.616  -4.898  -7.446  1.00 71.12           C
ATOM      0  H   THR A  26      13.274  -7.337  -9.942  1.00 33.51           H   new
ATOM      0  HA  THR A  26      14.803  -5.246  -8.619  1.00 62.51           H   new
ATOM      0  HB  THR A  26      13.561  -6.624  -6.617  1.00 70.54           H   new
ATOM      0  HG1 THR A  26      12.653  -7.990  -8.455  1.00  3.15           H   new
ATOM      0 HG21 THR A  26      11.766  -4.939  -6.765  1.00 71.12           H   new
ATOM      0 HG22 THR A  26      13.369  -4.218  -7.046  1.00 71.12           H   new
ATOM      0 HG23 THR A  26      12.284  -4.539  -8.420  1.00 71.12           H   new
ATOM    478  N   LEU A  27      15.480  -8.442  -8.410  1.00 41.30           N
ATOM    479  CA  LEU A  27      16.467  -9.416  -7.957  1.00 74.31           C
ATOM    480  C   LEU A  27      17.377  -9.842  -9.104  1.00 64.50           C
ATOM    481  O   LEU A  27      17.908 -10.953  -9.108  1.00 63.23           O
ATOM    482  CB  LEU A  27      15.768 -10.641  -7.364  1.00 13.23           C
ATOM    483  CG  LEU A  27      14.969 -10.402  -6.082  1.00 20.22           C
ATOM    484  CD1 LEU A  27      14.383 -11.708  -5.567  1.00 50.22           C
ATOM    485  CD2 LEU A  27      15.846  -9.754  -5.020  1.00 54.12           C
ATOM      0  H   LEU A  27      14.783  -8.816  -9.053  1.00 41.30           H   new
ATOM      0  HA  LEU A  27      17.079  -8.946  -7.187  1.00 74.31           H   new
ATOM      0  HB2 LEU A  27      15.095 -11.050  -8.117  1.00 13.23           H   new
ATOM      0  HB3 LEU A  27      16.521 -11.402  -7.162  1.00 13.23           H   new
ATOM      0  HG  LEU A  27      14.147  -9.723  -6.310  1.00 20.22           H   new
ATOM      0 HD11 LEU A  27      13.818 -11.518  -4.654  1.00 50.22           H   new
ATOM      0 HD12 LEU A  27      13.721 -12.133  -6.322  1.00 50.22           H   new
ATOM      0 HD13 LEU A  27      15.189 -12.410  -5.355  1.00 50.22           H   new
ATOM      0 HD21 LEU A  27      15.261  -9.591  -4.115  1.00 54.12           H   new
ATOM      0 HD22 LEU A  27      16.688 -10.408  -4.795  1.00 54.12           H   new
ATOM      0 HD23 LEU A  27      16.217  -8.798  -5.389  1.00 54.12           H   new
ATOM    497  N   ARG A  28      17.555  -8.952 -10.074  1.00 41.50           N
ATOM    498  CA  ARG A  28      18.403  -9.235 -11.226  1.00 33.01           C
ATOM    499  C   ARG A  28      19.798  -9.663 -10.782  1.00  5.23           C
ATOM    500  O   ARG A  28      20.646 -10.003 -11.607  1.00 70.12           O
ATOM    501  CB  ARG A  28      18.498  -8.005 -12.131  1.00 23.24           C
ATOM    502  CG  ARG A  28      19.238  -6.839 -11.496  1.00 41.44           C
ATOM    503  CD  ARG A  28      19.273  -5.632 -12.421  1.00 52.03           C
ATOM    504  NE  ARG A  28      20.488  -5.597 -13.230  1.00 61.23           N
ATOM    505  CZ  ARG A  28      20.789  -4.606 -14.062  1.00 62.21           C
ATOM    506  NH1 ARG A  28      19.968  -3.574 -14.193  1.00 53.23           N
ATOM    507  NH2 ARG A  28      21.914  -4.646 -14.764  1.00 63.53           N
ATOM      0  H   ARG A  28      17.123  -8.028 -10.085  1.00 41.50           H   new
ATOM      0  HA  ARG A  28      17.952 -10.054 -11.785  1.00 33.01           H   new
ATOM      0  HB2 ARG A  28      19.001  -8.283 -13.057  1.00 23.24           H   new
ATOM      0  HB3 ARG A  28      17.492  -7.683 -12.400  1.00 23.24           H   new
ATOM      0  HG2 ARG A  28      18.754  -6.566 -10.558  1.00 41.44           H   new
ATOM      0  HG3 ARG A  28      20.256  -7.142 -11.252  1.00 41.44           H   new
ATOM      0  HD2 ARG A  28      18.402  -5.652 -13.076  1.00 52.03           H   new
ATOM      0  HD3 ARG A  28      19.206  -4.719 -11.829  1.00 52.03           H   new
ATOM      0  HE  ARG A  28      21.142  -6.376 -13.152  1.00 61.23           H   new
ATOM      0 HH11 ARG A  28      19.103  -3.539 -13.654  1.00 53.23           H   new
ATOM      0 HH12 ARG A  28      20.202  -2.814 -14.832  1.00 53.23           H   new
ATOM      0 HH21 ARG A  28      22.549  -5.438 -14.665  1.00 63.53           H   new
ATOM      0 HH22 ARG A  28      22.144  -3.885 -15.403  1.00 63.53           H   new