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   59:sc=    0.46
USER  MOD Single : A  16 HIS     :     no HE2:sc=  -0.903  K(o=-0.9,f=-1.6)
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  116:sc=  -0.264
USER  MOD -----------------------------------------------------------------
ATOM    175  N   PHE A  11      -2.068 -10.407  -5.904  1.00 61.31           N
ATOM    176  CA  PHE A  11      -2.653 -11.165  -7.004  1.00 20.41           C
ATOM    177  C   PHE A  11      -1.944 -12.505  -7.179  1.00 22.01           C
ATOM    178  O   PHE A  11      -2.563 -13.504  -7.547  1.00 44.43           O
ATOM    179  CB  PHE A  11      -2.576 -10.361  -8.303  1.00 70.24           C
ATOM    180  CG  PHE A  11      -3.788 -10.517  -9.177  1.00 43.23           C
ATOM    181  CD1 PHE A  11      -4.571  -9.421  -9.499  1.00 53.44           C
ATOM    182  CD2 PHE A  11      -4.143 -11.760  -9.676  1.00 53.42           C
ATOM    183  CE1 PHE A  11      -5.687  -9.560 -10.304  1.00 22.24           C
ATOM    184  CE2 PHE A  11      -5.257 -11.905 -10.481  1.00 72.31           C
ATOM    185  CZ  PHE A  11      -6.031 -10.805 -10.794  1.00 43.42           C
ATOM      0  HA  PHE A  11      -3.699 -11.356  -6.765  1.00 20.41           H   new
ATOM      0  HB2 PHE A  11      -2.446  -9.306  -8.061  1.00 70.24           H   new
ATOM      0  HB3 PHE A  11      -1.693 -10.671  -8.861  1.00 70.24           H   new
ATOM      0  HD1 PHE A  11      -4.307  -8.446  -9.117  1.00 53.44           H   new
ATOM      0  HD2 PHE A  11      -3.543 -12.625  -9.433  1.00 53.42           H   new
ATOM      0  HE1 PHE A  11      -6.288  -8.697 -10.549  1.00 22.24           H   new
ATOM      0  HE2 PHE A  11      -5.522 -12.879 -10.865  1.00 72.31           H   new
ATOM      0  HZ  PHE A  11      -6.903 -10.918 -11.421  1.00 43.42           H   new
ATOM    195  N   ARG A  12      -0.642 -12.518  -6.913  1.00  2.34           N
ATOM    196  CA  ARG A  12       0.153 -13.733  -7.042  1.00 73.20           C
ATOM    197  C   ARG A  12       0.228 -14.478  -5.712  1.00 51.23           C
ATOM    198  O   ARG A  12       1.081 -14.188  -4.873  1.00 61.12           O
ATOM    199  CB  ARG A  12       1.563 -13.397  -7.531  1.00 13.32           C
ATOM    200  CG  ARG A  12       2.561 -14.526  -7.335  1.00 71.11           C
ATOM    201  CD  ARG A  12       3.813 -14.314  -8.172  1.00 31.31           C
ATOM    202  NE  ARG A  12       4.412 -13.003  -7.938  1.00 24.44           N
ATOM    203  CZ  ARG A  12       5.157 -12.715  -6.876  1.00 11.11           C
ATOM    204  NH1 ARG A  12       5.392 -13.640  -5.956  1.00 64.20           N
ATOM    205  NH2 ARG A  12       5.668 -11.499  -6.733  1.00 40.31           N
ATOM      0  H   ARG A  12      -0.115 -11.700  -6.607  1.00  2.34           H   new
ATOM      0  HA  ARG A  12      -0.333 -14.379  -7.773  1.00 73.20           H   new
ATOM      0  HB2 ARG A  12       1.520 -13.141  -8.590  1.00 13.32           H   new
ATOM      0  HB3 ARG A  12       1.920 -12.512  -7.004  1.00 13.32           H   new
ATOM      0  HG2 ARG A  12       2.833 -14.594  -6.282  1.00 71.11           H   new
ATOM      0  HG3 ARG A  12       2.097 -15.474  -7.606  1.00 71.11           H   new
ATOM      0  HD2 ARG A  12       4.540 -15.092  -7.939  1.00 31.31           H   new
ATOM      0  HD3 ARG A  12       3.564 -14.416  -9.228  1.00 31.31           H   new
ATOM      0  HE  ARG A  12       4.250 -12.269  -8.627  1.00 24.44           H   new
ATOM      0 HH11 ARG A  12       5.001 -14.576  -6.062  1.00 64.20           H   new
ATOM      0 HH12 ARG A  12       5.964 -13.416  -5.142  1.00 64.20           H   new
ATOM      0 HH21 ARG A  12       5.489 -10.784  -7.439  1.00 40.31           H   new
ATOM      0 HH22 ARG A  12       6.240 -11.279  -5.918  1.00 40.31           H   new
ATOM    219  N   LYS A  13      -0.671 -15.438  -5.526  1.00 71.43           N
ATOM    220  CA  LYS A  13      -0.708 -16.226  -4.300  1.00  5.13           C
ATOM    221  C   LYS A  13       0.092 -17.515  -4.457  1.00 62.20           C
ATOM    222  O   LYS A  13       1.221 -17.620  -3.976  1.00 23.11           O
ATOM    223  CB  LYS A  13      -2.154 -16.553  -3.922  1.00 60.22           C
ATOM    224  CG  LYS A  13      -2.275 -17.520  -2.757  1.00  4.11           C
ATOM    225  CD  LYS A  13      -1.471 -17.049  -1.556  1.00 52.22           C
ATOM    226  CE  LYS A  13      -2.315 -17.036  -0.291  1.00 32.31           C
ATOM    227  NZ  LYS A  13      -1.554 -17.532   0.889  1.00 63.43           N
ATOM      0  H   LYS A  13      -1.385 -15.689  -6.210  1.00 71.43           H   new
ATOM      0  HA  LYS A  13      -0.257 -15.634  -3.504  1.00  5.13           H   new
ATOM      0  HB2 LYS A  13      -2.673 -15.628  -3.671  1.00 60.22           H   new
ATOM      0  HB3 LYS A  13      -2.660 -16.977  -4.789  1.00 60.22           H   new
ATOM      0  HG2 LYS A  13      -3.323 -17.624  -2.476  1.00  4.11           H   new
ATOM      0  HG3 LYS A  13      -1.928 -18.507  -3.064  1.00  4.11           H   new
ATOM      0  HD2 LYS A  13      -0.610 -17.703  -1.414  1.00 52.22           H   new
ATOM      0  HD3 LYS A  13      -1.083 -16.048  -1.746  1.00 52.22           H   new
ATOM      0  HE2 LYS A  13      -2.664 -16.022  -0.098  1.00 32.31           H   new
ATOM      0  HE3 LYS A  13      -3.200 -17.655  -0.439  1.00 32.31           H   new
ATOM      0  HZ1 LYS A  13      -2.164 -17.507   1.731  1.00 63.43           H   new
ATOM      0  HZ2 LYS A  13      -1.242 -18.509   0.716  1.00 63.43           H   new
ATOM      0  HZ3 LYS A  13      -0.723 -16.926   1.046  1.00 63.43           H   new
ATOM    241  N   LEU A  14      -0.499 -18.494  -5.134  1.00 43.51           N
ATOM    242  CA  LEU A  14       0.160 -19.776  -5.356  1.00 74.24           C
ATOM    243  C   LEU A  14       0.308 -20.061  -6.848  1.00 11.04           C
ATOM    244  O   LEU A  14       0.949 -21.035  -7.245  1.00  1.44           O
ATOM    245  CB  LEU A  14      -0.632 -20.901  -4.687  1.00 51.00           C
ATOM    246  CG  LEU A  14      -2.092 -21.043  -5.119  1.00 31.02           C
ATOM    247  CD1 LEU A  14      -2.265 -22.252  -6.025  1.00 55.32           C
ATOM    248  CD2 LEU A  14      -3.000 -21.152  -3.902  1.00 42.22           C
ATOM      0  H   LEU A  14      -1.433 -18.424  -5.538  1.00 43.51           H   new
ATOM      0  HA  LEU A  14       1.155 -19.727  -4.913  1.00 74.24           H   new
ATOM      0  HB2 LEU A  14      -0.122 -21.844  -4.884  1.00 51.00           H   new
ATOM      0  HB3 LEU A  14      -0.607 -20.744  -3.609  1.00 51.00           H   new
ATOM      0  HG  LEU A  14      -2.374 -20.151  -5.679  1.00 31.02           H   new
ATOM      0 HD11 LEU A  14      -3.310 -22.337  -6.322  1.00 55.32           H   new
ATOM      0 HD12 LEU A  14      -1.644 -22.133  -6.913  1.00 55.32           H   new
ATOM      0 HD13 LEU A  14      -1.965 -23.153  -5.490  1.00 55.32           H   new
ATOM      0 HD21 LEU A  14      -4.035 -21.252  -4.228  1.00 42.22           H   new
ATOM      0 HD22 LEU A  14      -2.718 -22.026  -3.315  1.00 42.22           H   new
ATOM      0 HD23 LEU A  14      -2.898 -20.256  -3.290  1.00 42.22           H   new
ATOM    260  N   THR A  15      -0.288 -19.204  -7.671  1.00  2.43           N
ATOM    261  CA  THR A  15      -0.221 -19.362  -9.118  1.00 15.10           C
ATOM    262  C   THR A  15       0.663 -18.292  -9.748  1.00 62.21           C
ATOM    263  O   THR A  15       0.180 -17.416 -10.465  1.00 53.24           O
ATOM    264  CB  THR A  15      -1.622 -19.294  -9.755  1.00 72.33           C
ATOM    265  OG1 THR A  15      -2.251 -18.051  -9.426  1.00  2.32           O
ATOM    266  CG2 THR A  15      -2.490 -20.449  -9.278  1.00 60.13           C
ATOM      0  H   THR A  15      -0.823 -18.393  -7.360  1.00  2.43           H   new
ATOM      0  HA  THR A  15       0.211 -20.344  -9.309  1.00 15.10           H   new
ATOM      0  HB  THR A  15      -1.508 -19.368 -10.837  1.00 72.33           H   new
ATOM      0  HG1 THR A  15      -1.702 -17.309  -9.756  1.00  2.32           H   new
ATOM      0 HG21 THR A  15      -3.474 -20.380  -9.741  1.00 60.13           H   new
ATOM      0 HG22 THR A  15      -2.024 -21.394  -9.557  1.00 60.13           H   new
ATOM      0 HG23 THR A  15      -2.595 -20.402  -8.194  1.00 60.13           H   new
ATOM    274  N   HIS A  16       1.962 -18.370  -9.477  1.00  2.34           N
ATOM    275  CA  HIS A  16       2.915 -17.408 -10.019  1.00  2.11           C
ATOM    276  C   HIS A  16       3.183 -17.682 -11.496  1.00  1.04           C
ATOM    277  O   HIS A  16       4.272 -18.120 -11.868  1.00 33.10           O
ATOM    278  CB  HIS A  16       4.226 -17.458  -9.233  1.00 32.11           C
ATOM    279  CG  HIS A  16       4.733 -18.848  -9.003  1.00 22.33           C
ATOM    280  ND1 HIS A  16       5.559 -19.505  -9.891  1.00 14.10           N
ATOM    281  CD2 HIS A  16       4.529 -19.707  -7.976  1.00 41.41           C
ATOM    282  CE1 HIS A  16       5.839 -20.708  -9.422  1.00 12.44           C
ATOM    283  NE2 HIS A  16       5.227 -20.855  -8.261  1.00 13.35           N
ATOM      0  H   HIS A  16       2.379 -19.089  -8.886  1.00  2.34           H   new
ATOM      0  HA  HIS A  16       2.482 -16.412  -9.925  1.00  2.11           H   new
ATOM      0  HB2 HIS A  16       4.984 -16.888  -9.770  1.00 32.11           H   new
ATOM      0  HB3 HIS A  16       4.082 -16.969  -8.270  1.00 32.11           H   new
ATOM      0  HD1 HIS A  16       5.900 -19.122 -10.772  1.00 14.10           H   new
ATOM      0  HD2 HIS A  16       3.929 -19.523  -7.097  1.00 41.41           H   new
ATOM      0  HE1 HIS A  16       6.462 -21.446  -9.906  1.00 12.44           H   new
ATOM    291  N   ARG A  17       2.183 -17.422 -12.332  1.00  3.14           N
ATOM    292  CA  ARG A  17       2.311 -17.643 -13.767  1.00 54.41           C
ATOM    293  C   ARG A  17       3.096 -16.511 -14.424  1.00 10.14           C
ATOM    294  O   ARG A  17       4.266 -16.674 -14.773  1.00 10.23           O
ATOM    295  CB  ARG A  17       0.928 -17.759 -14.411  1.00 50.24           C
ATOM    296  CG  ARG A  17       0.419 -19.188 -14.507  1.00 50.34           C
ATOM    297  CD  ARG A  17      -1.099 -19.244 -14.438  1.00 31.25           C
ATOM    298  NE  ARG A  17      -1.674 -19.944 -15.583  1.00 71.02           N
ATOM    299  CZ  ARG A  17      -1.740 -19.425 -16.804  1.00 65.02           C
ATOM    300  NH1 ARG A  17      -1.268 -18.208 -17.037  1.00 24.10           N
ATOM    301  NH2 ARG A  17      -2.277 -20.124 -17.796  1.00 14.04           N
ATOM      0  H   ARG A  17       1.276 -17.058 -12.040  1.00  3.14           H   new
ATOM      0  HA  ARG A  17       2.855 -18.575 -13.919  1.00 54.41           H   new
ATOM      0  HB2 ARG A  17       0.217 -17.167 -13.834  1.00 50.24           H   new
ATOM      0  HB3 ARG A  17       0.965 -17.327 -15.411  1.00 50.24           H   new
ATOM      0  HG2 ARG A  17       0.759 -19.634 -15.442  1.00 50.34           H   new
ATOM      0  HG3 ARG A  17       0.843 -19.782 -13.697  1.00 50.34           H   new
ATOM      0  HD2 ARG A  17      -1.402 -19.744 -13.518  1.00 31.25           H   new
ATOM      0  HD3 ARG A  17      -1.497 -18.230 -14.396  1.00 31.25           H   new
ATOM      0  HE  ARG A  17      -2.045 -20.883 -15.437  1.00 71.02           H   new
ATOM      0 HH11 ARG A  17      -0.853 -17.668 -16.278  1.00 24.10           H   new
ATOM      0 HH12 ARG A  17      -1.320 -17.812 -17.976  1.00 24.10           H   new
ATOM      0 HH21 ARG A  17      -2.640 -21.061 -17.621  1.00 14.04           H   new
ATOM      0 HH22 ARG A  17      -2.327 -19.724 -18.733  1.00 14.04           H   new
ATOM    315  N   LEU A  18       2.445 -15.365 -14.589  1.00 42.30           N
ATOM    316  CA  LEU A  18       3.082 -14.205 -15.204  1.00 60.31           C
ATOM    317  C   LEU A  18       3.176 -13.047 -14.216  1.00 20.43           C
ATOM    318  O   LEU A  18       4.043 -12.182 -14.338  1.00 25.14           O
ATOM    319  CB  LEU A  18       2.302 -13.769 -16.446  1.00 31.05           C
ATOM    320  CG  LEU A  18       2.594 -14.546 -17.729  1.00 60.54           C
ATOM    321  CD1 LEU A  18       1.305 -15.074 -18.339  1.00 34.31           C
ATOM    322  CD2 LEU A  18       3.338 -13.670 -18.726  1.00 54.34           C
ATOM      0  H   LEU A  18       1.477 -15.214 -14.306  1.00 42.30           H   new
ATOM      0  HA  LEU A  18       4.092 -14.490 -15.498  1.00 60.31           H   new
ATOM      0  HB2 LEU A  18       1.237 -13.852 -16.229  1.00 31.05           H   new
ATOM      0  HB3 LEU A  18       2.509 -12.715 -16.629  1.00 31.05           H   new
ATOM      0  HG  LEU A  18       3.228 -15.396 -17.479  1.00 60.54           H   new
ATOM      0 HD11 LEU A  18       1.533 -15.624 -19.252  1.00 34.31           H   new
ATOM      0 HD12 LEU A  18       0.811 -15.738 -17.629  1.00 34.31           H   new
ATOM      0 HD13 LEU A  18       0.645 -14.239 -18.574  1.00 34.31           H   new
ATOM      0 HD21 LEU A  18       3.537 -14.240 -19.633  1.00 54.34           H   new
ATOM      0 HD22 LEU A  18       2.729 -12.800 -18.971  1.00 54.34           H   new
ATOM      0 HD23 LEU A  18       4.281 -13.342 -18.289  1.00 54.34           H   new
ATOM    334  N   PHE A  19       2.279 -13.039 -13.235  1.00 52.34           N
ATOM    335  CA  PHE A  19       2.261 -11.988 -12.225  1.00  1.25           C
ATOM    336  C   PHE A  19       3.616 -11.876 -11.532  1.00 63.32           C
ATOM    337  O   PHE A  19       3.978 -10.817 -11.019  1.00 71.31           O
ATOM    338  CB  PHE A  19       1.168 -12.265 -11.190  1.00  4.51           C
ATOM    339  CG  PHE A  19      -0.149 -11.625 -11.524  1.00 31.50           C
ATOM    340  CD1 PHE A  19      -0.378 -10.289 -11.240  1.00 44.32           C
ATOM    341  CD2 PHE A  19      -1.160 -12.362 -12.121  1.00 45.24           C
ATOM    342  CE1 PHE A  19      -1.589  -9.697 -11.547  1.00 23.43           C
ATOM    343  CE2 PHE A  19      -2.372 -11.776 -12.431  1.00 14.24           C
ATOM    344  CZ  PHE A  19      -2.588 -10.442 -12.142  1.00 22.42           C
ATOM      0  H   PHE A  19       1.556 -13.748 -13.118  1.00 52.34           H   new
ATOM      0  HA  PHE A  19       2.049 -11.043 -12.724  1.00  1.25           H   new
ATOM      0  HB2 PHE A  19       1.027 -13.342 -11.101  1.00  4.51           H   new
ATOM      0  HB3 PHE A  19       1.501 -11.906 -10.216  1.00  4.51           H   new
ATOM      0  HD1 PHE A  19       0.399  -9.702 -10.773  1.00 44.32           H   new
ATOM      0  HD2 PHE A  19      -0.998 -13.406 -12.346  1.00 45.24           H   new
ATOM      0  HE1 PHE A  19      -1.753  -8.654 -11.322  1.00 23.43           H   new
ATOM      0  HE2 PHE A  19      -3.150 -12.360 -12.899  1.00 14.24           H   new
ATOM      0  HZ  PHE A  19      -3.536  -9.983 -12.381  1.00 22.42           H   new
ATOM    354  N   ARG A  20       4.361 -12.977 -11.522  1.00 20.03           N
ATOM    355  CA  ARG A  20       5.675 -13.004 -10.891  1.00 63.32           C
ATOM    356  C   ARG A  20       6.731 -12.395 -11.809  1.00  2.13           C
ATOM    357  O   ARG A  20       7.705 -11.803 -11.343  1.00 41.13           O
ATOM    358  CB  ARG A  20       6.063 -14.440 -10.533  1.00 31.20           C
ATOM    359  CG  ARG A  20       7.021 -14.537  -9.357  1.00 33.13           C
ATOM    360  CD  ARG A  20       7.612 -15.933  -9.233  1.00 53.31           C
ATOM    361  NE  ARG A  20       9.002 -15.901  -8.787  1.00 12.24           N
ATOM    362  CZ  ARG A  20      10.028 -15.657  -9.594  1.00 72.34           C
ATOM    363  NH1 ARG A  20       9.821 -15.425 -10.883  1.00 75.32           N
ATOM    364  NH2 ARG A  20      11.264 -15.645  -9.113  1.00 64.13           N
ATOM      0  H   ARG A  20       4.077 -13.861 -11.944  1.00 20.03           H   new
ATOM      0  HA  ARG A  20       5.624 -12.410  -9.978  1.00 63.32           H   new
ATOM      0  HB2 ARG A  20       5.160 -15.005 -10.302  1.00 31.20           H   new
ATOM      0  HB3 ARG A  20       6.520 -14.911 -11.403  1.00 31.20           H   new
ATOM      0  HG2 ARG A  20       7.824 -13.810  -9.480  1.00 33.13           H   new
ATOM      0  HG3 ARG A  20       6.496 -14.280  -8.437  1.00 33.13           H   new
ATOM      0  HD2 ARG A  20       7.019 -16.517  -8.529  1.00 53.31           H   new
ATOM      0  HD3 ARG A  20       7.552 -16.439 -10.197  1.00 53.31           H   new
ATOM      0  HE  ARG A  20       9.196 -16.076  -7.801  1.00 12.24           H   new
ATOM      0 HH11 ARG A  20       8.872 -15.434 -11.257  1.00 75.32           H   new
ATOM      0 HH12 ARG A  20      10.611 -15.238 -11.501  1.00 75.32           H   new
ATOM      0 HH21 ARG A  20      11.427 -15.823  -8.122  1.00 64.13           H   new
ATOM      0 HH22 ARG A  20      12.051 -15.457  -9.734  1.00 64.13           H   new
ATOM    378  N   ARG A  21       6.531 -12.545 -13.114  1.00  1.30           N
ATOM    379  CA  ARG A  21       7.467 -12.011 -14.097  1.00 15.14           C
ATOM    380  C   ARG A  21       7.271 -10.508 -14.273  1.00 55.03           C
ATOM    381  O   ARG A  21       8.211  -9.783 -14.593  1.00 43.15           O
ATOM    382  CB  ARG A  21       7.288 -12.721 -15.440  1.00  5.30           C
ATOM    383  CG  ARG A  21       8.291 -12.285 -16.496  1.00 73.44           C
ATOM    384  CD  ARG A  21       7.997 -12.930 -17.842  1.00 41.11           C
ATOM    385  NE  ARG A  21       8.474 -12.114 -18.956  1.00 12.15           N
ATOM    386  CZ  ARG A  21       8.069 -12.274 -20.210  1.00 75.04           C
ATOM    387  NH1 ARG A  21       7.184 -13.215 -20.510  1.00 15.23           N
ATOM    388  NH2 ARG A  21       8.548 -11.492 -21.169  1.00  4.22           N
ATOM      0  H   ARG A  21       5.730 -13.032 -13.516  1.00  1.30           H   new
ATOM      0  HA  ARG A  21       8.479 -12.187 -13.733  1.00 15.14           H   new
ATOM      0  HB2 ARG A  21       7.377 -13.797 -15.288  1.00  5.30           H   new
ATOM      0  HB3 ARG A  21       6.280 -12.534 -15.809  1.00  5.30           H   new
ATOM      0  HG2 ARG A  21       8.266 -11.200 -16.598  1.00 73.44           H   new
ATOM      0  HG3 ARG A  21       9.298 -12.552 -16.175  1.00 73.44           H   new
ATOM      0  HD2 ARG A  21       8.468 -13.912 -17.884  1.00 41.11           H   new
ATOM      0  HD3 ARG A  21       6.923 -13.087 -17.942  1.00 41.11           H   new
ATOM      0  HE  ARG A  21       9.156 -11.381 -18.759  1.00 12.15           H   new
ATOM      0 HH11 ARG A  21       6.813 -13.818 -19.776  1.00 15.23           H   new
ATOM      0 HH12 ARG A  21       6.875 -13.335 -21.475  1.00 15.23           H   new
ATOM      0 HH21 ARG A  21       9.229 -10.767 -20.943  1.00  4.22           H   new
ATOM      0 HH22 ARG A  21       8.236 -11.616 -22.132  1.00  4.22           H   new
ATOM    402  N   ASN A  22       6.041 -10.048 -14.063  1.00  5.01           N
ATOM    403  CA  ASN A  22       5.722  -8.632 -14.200  1.00 54.30           C
ATOM    404  C   ASN A  22       6.134  -7.858 -12.952  1.00 13.54           C
ATOM    405  O   ASN A  22       6.522  -6.692 -13.031  1.00  2.11           O
ATOM    406  CB  ASN A  22       4.224  -8.448 -14.457  1.00 24.25           C
ATOM    407  CG  ASN A  22       3.920  -8.140 -15.910  1.00 63.50           C
ATOM    408  OD1 ASN A  22       4.235  -8.928 -16.802  1.00 23.41           O
ATOM    409  ND2 ASN A  22       3.305  -6.989 -16.155  1.00 31.43           N
ATOM      0  H   ASN A  22       5.250 -10.635 -13.798  1.00  5.01           H   new
ATOM      0  HA  ASN A  22       6.281  -8.240 -15.050  1.00 54.30           H   new
ATOM      0  HB2 ASN A  22       3.694  -9.353 -14.162  1.00 24.25           H   new
ATOM      0  HB3 ASN A  22       3.847  -7.639 -13.831  1.00 24.25           H   new
ATOM      0 HD21 ASN A  22       3.075  -6.728 -17.114  1.00 31.43           H   new
ATOM      0 HD22 ASN A  22       3.063  -6.366 -15.384  1.00 31.43           H   new
ATOM    416  N   PHE A  23       6.047  -8.514 -11.799  1.00 54.05           N
ATOM    417  CA  PHE A  23       6.410  -7.888 -10.534  1.00 10.15           C
ATOM    418  C   PHE A  23       7.877  -7.468 -10.536  1.00 11.22           C
ATOM    419  O   PHE A  23       8.272  -6.550  -9.818  1.00 64.31           O
ATOM    420  CB  PHE A  23       6.144  -8.847  -9.371  1.00 42.32           C
ATOM    421  CG  PHE A  23       5.125  -8.335  -8.393  1.00 64.21           C
ATOM    422  CD1 PHE A  23       5.500  -7.490  -7.361  1.00 53.33           C
ATOM    423  CD2 PHE A  23       3.794  -8.700  -8.505  1.00 75.54           C
ATOM    424  CE1 PHE A  23       4.565  -7.017  -6.460  1.00 13.13           C
ATOM    425  CE2 PHE A  23       2.854  -8.231  -7.607  1.00 41.52           C
ATOM    426  CZ  PHE A  23       3.240  -7.389  -6.582  1.00 43.24           C
ATOM      0  H   PHE A  23       5.728  -9.479 -11.715  1.00 54.05           H   new
ATOM      0  HA  PHE A  23       5.795  -6.997 -10.409  1.00 10.15           H   new
ATOM      0  HB2 PHE A  23       5.805  -9.803  -9.769  1.00 42.32           H   new
ATOM      0  HB3 PHE A  23       7.079  -9.035  -8.844  1.00 42.32           H   new
ATOM      0  HD1 PHE A  23       6.535  -7.198  -7.260  1.00 53.33           H   new
ATOM      0  HD2 PHE A  23       3.487  -9.359  -9.304  1.00 75.54           H   new
ATOM      0  HE1 PHE A  23       4.870  -6.357  -5.661  1.00 13.13           H   new
ATOM      0  HE2 PHE A  23       1.819  -8.522  -7.706  1.00 41.52           H   new
ATOM      0  HZ  PHE A  23       2.508  -7.022  -5.878  1.00 43.24           H   new
ATOM    436  N   GLY A  24       8.680  -8.148 -11.349  1.00 11.22           N
ATOM    437  CA  GLY A  24      10.094  -7.832 -11.429  1.00 41.04           C
ATOM    438  C   GLY A  24      10.345  -6.368 -11.729  1.00 51.55           C
ATOM    439  O   GLY A  24      11.394  -5.826 -11.381  1.00 23.13           O
ATOM      0  H   GLY A  24       8.377  -8.912 -11.953  1.00 11.22           H   new
ATOM      0  HA2 GLY A  24      10.576  -8.094 -10.487  1.00 41.04           H   new
ATOM      0  HA3 GLY A  24      10.556  -8.443 -12.204  1.00 41.04           H   new
ATOM    443  N   TYR A  25       9.381  -5.725 -12.379  1.00 52.02           N
ATOM    444  CA  TYR A  25       9.504  -4.315 -12.730  1.00 71.11           C
ATOM    445  C   TYR A  25       9.168  -3.425 -11.537  1.00 70.51           C
ATOM    446  O   TYR A  25       9.680  -2.312 -11.413  1.00 74.11           O
ATOM    447  CB  TYR A  25       8.585  -3.979 -13.906  1.00 44.40           C
ATOM    448  CG  TYR A  25       9.230  -4.189 -15.257  1.00 70.24           C
ATOM    449  CD1 TYR A  25       9.092  -3.247 -16.269  1.00 55.12           C
ATOM    450  CD2 TYR A  25       9.976  -5.330 -15.523  1.00 24.41           C
ATOM    451  CE1 TYR A  25       9.678  -3.435 -17.506  1.00 21.22           C
ATOM    452  CE2 TYR A  25      10.568  -5.526 -16.756  1.00 33.41           C
ATOM    453  CZ  TYR A  25      10.415  -4.576 -17.744  1.00 65.21           C
ATOM    454  OH  TYR A  25      11.002  -4.768 -18.974  1.00 73.41           O
ATOM      0  H   TYR A  25       8.506  -6.158 -12.673  1.00 52.02           H   new
ATOM      0  HA  TYR A  25      10.538  -4.128 -13.020  1.00 71.11           H   new
ATOM      0  HB2 TYR A  25       7.687  -4.594 -13.842  1.00 44.40           H   new
ATOM      0  HB3 TYR A  25       8.267  -2.940 -13.822  1.00 44.40           H   new
ATOM      0  HD1 TYR A  25       8.516  -2.352 -16.085  1.00 55.12           H   new
ATOM      0  HD2 TYR A  25      10.095  -6.077 -14.752  1.00 24.41           H   new
ATOM      0  HE1 TYR A  25       9.560  -2.693 -18.282  1.00 21.22           H   new
ATOM      0  HE2 TYR A  25      11.147  -6.418 -16.945  1.00 33.41           H   new
ATOM      0  HH  TYR A  25      11.486  -5.620 -18.976  1.00 73.41           H   new
ATOM    464  N   THR A  26       8.304  -3.925 -10.659  1.00 73.31           N
ATOM    465  CA  THR A  26       7.898  -3.178  -9.476  1.00 12.23           C
ATOM    466  C   THR A  26       8.867  -3.407  -8.321  1.00 53.05           C
ATOM    467  O   THR A  26       9.092  -2.517  -7.500  1.00 50.24           O
ATOM    468  CB  THR A  26       6.478  -3.568  -9.024  1.00 72.43           C
ATOM    469  OG1 THR A  26       6.123  -4.843  -9.571  1.00 61.33           O
ATOM    470  CG2 THR A  26       5.464  -2.523  -9.463  1.00 53.30           C
ATOM      0  H   THR A  26       7.872  -4.845 -10.746  1.00 73.31           H   new
ATOM      0  HA  THR A  26       7.907  -2.123  -9.751  1.00 12.23           H   new
ATOM      0  HB  THR A  26       6.470  -3.624  -7.935  1.00 72.43           H   new
ATOM      0  HG1 THR A  26       5.996  -5.487  -8.843  1.00 61.33           H   new
ATOM      0 HG21 THR A  26       4.469  -2.820  -9.132  1.00 53.30           H   new
ATOM      0 HG22 THR A  26       5.720  -1.560  -9.022  1.00 53.30           H   new
ATOM      0 HG23 THR A  26       5.475  -2.439 -10.550  1.00 53.30           H   new
ATOM    478  N   LEU A  27       9.438  -4.605  -8.264  1.00 44.31           N
ATOM    479  CA  LEU A  27      10.385  -4.951  -7.210  1.00  1.14           C
ATOM    480  C   LEU A  27      11.813  -4.613  -7.627  1.00 72.12           C
ATOM    481  O   LEU A  27      12.645  -4.253  -6.794  1.00 53.44           O
ATOM    482  CB  LEU A  27      10.279  -6.439  -6.870  1.00 44.25           C
ATOM    483  CG  LEU A  27      10.934  -7.401  -7.862  1.00 24.33           C
ATOM    484  CD1 LEU A  27      12.376  -7.678  -7.464  1.00 41.42           C
ATOM    485  CD2 LEU A  27      10.144  -8.699  -7.946  1.00 64.21           C
ATOM      0  H   LEU A  27       9.262  -5.353  -8.935  1.00 44.31           H   new
ATOM      0  HA  LEU A  27      10.136  -4.364  -6.326  1.00  1.14           H   new
ATOM      0  HB2 LEU A  27      10.726  -6.600  -5.889  1.00 44.25           H   new
ATOM      0  HB3 LEU A  27       9.224  -6.698  -6.786  1.00 44.25           H   new
ATOM      0  HG  LEU A  27      10.934  -6.934  -8.847  1.00 24.33           H   new
ATOM      0 HD11 LEU A  27      12.826  -8.364  -8.181  1.00 41.42           H   new
ATOM      0 HD12 LEU A  27      12.937  -6.743  -7.455  1.00 41.42           H   new
ATOM      0 HD13 LEU A  27      12.400  -8.125  -6.470  1.00 41.42           H   new
ATOM      0 HD21 LEU A  27      10.624  -9.372  -8.656  1.00 64.21           H   new
ATOM      0 HD22 LEU A  27      10.113  -9.170  -6.964  1.00 64.21           H   new
ATOM      0 HD23 LEU A  27       9.128  -8.486  -8.278  1.00 64.21           H   new
ATOM    497  N   ARG A  28      12.089  -4.730  -8.922  1.00 35.20           N
ATOM    498  CA  ARG A  28      13.415  -4.436  -9.450  1.00 62.22           C
ATOM    499  C   ARG A  28      13.354  -3.309 -10.477  1.00  1.02           C
ATOM    500  O   ARG A  28      13.178  -2.143 -10.123  1.00 21.00           O
ATOM    501  CB  ARG A  28      14.023  -5.688 -10.087  1.00 11.44           C
ATOM    502  CG  ARG A  28      15.358  -6.091  -9.482  1.00 71.23           C
ATOM    503  CD  ARG A  28      16.515  -5.742 -10.405  1.00  3.33           C
ATOM    504  NE  ARG A  28      16.953  -6.890 -11.193  1.00 73.35           N
ATOM    505  CZ  ARG A  28      17.947  -6.842 -12.073  1.00 24.24           C
ATOM    506  NH1 ARG A  28      18.604  -5.708 -12.274  1.00 25.33           N
ATOM    507  NH2 ARG A  28      18.287  -7.930 -12.752  1.00 70.02           N
ATOM      0  H   ARG A  28      11.411  -5.026  -9.625  1.00 35.20           H   new
ATOM      0  HA  ARG A  28      14.046  -4.115  -8.621  1.00 62.22           H   new
ATOM      0  HB2 ARG A  28      13.322  -6.516  -9.983  1.00 11.44           H   new
ATOM      0  HB3 ARG A  28      14.155  -5.515 -11.155  1.00 11.44           H   new
ATOM      0  HG2 ARG A  28      15.491  -5.589  -8.524  1.00 71.23           H   new
ATOM      0  HG3 ARG A  28      15.360  -7.163  -9.283  1.00 71.23           H   new
ATOM      0  HD2 ARG A  28      16.214  -4.937 -11.075  1.00  3.33           H   new
ATOM      0  HD3 ARG A  28      17.351  -5.369  -9.813  1.00  3.33           H   new
ATOM      0  HE  ARG A  28      16.469  -7.778 -11.061  1.00 73.35           H   new
ATOM      0 HH11 ARG A  28      18.347  -4.870 -11.752  1.00 25.33           H   new
ATOM      0 HH12 ARG A  28      19.367  -5.674 -12.950  1.00 25.33           H   new
ATOM      0 HH21 ARG A  28      17.785  -8.805 -12.599  1.00 70.02           H   new
ATOM      0 HH22 ARG A  28      19.050  -7.892 -13.427  1.00 70.02           H   new