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   61:sc=   0.626
USER  MOD Single : A  16 HIS     :     no HD1:sc=  -0.451  X(o=-0.45,f=-0.018)
USER  MOD Single : A  22 ASN     :      amide:sc=   0.116  X(o=0.12,f=0)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot  161:sc=  -0.635
USER  MOD -----------------------------------------------------------------
ATOM    175  N   PHE A  11      -3.232 -11.645  -5.579  1.00 43.53           N
ATOM    176  CA  PHE A  11      -2.970 -12.596  -6.653  1.00 54.23           C
ATOM    177  C   PHE A  11      -3.801 -13.863  -6.472  1.00 14.32           C
ATOM    178  O   PHE A  11      -3.355 -14.827  -5.850  1.00 11.33           O
ATOM    179  CB  PHE A  11      -1.483 -12.950  -6.698  1.00 64.44           C
ATOM    180  CG  PHE A  11      -0.578 -11.761  -6.544  1.00 31.31           C
ATOM    181  CD1 PHE A  11      -0.029 -11.447  -5.311  1.00 60.42           C
ATOM    182  CD2 PHE A  11      -0.277 -10.957  -7.631  1.00 73.15           C
ATOM    183  CE1 PHE A  11       0.804 -10.354  -5.166  1.00 21.14           C
ATOM    184  CE2 PHE A  11       0.555  -9.863  -7.492  1.00 44.11           C
ATOM    185  CZ  PHE A  11       1.096  -9.560  -6.257  1.00 72.35           C
ATOM      0  HA  PHE A  11      -3.253 -12.128  -7.596  1.00 54.23           H   new
ATOM      0  HB2 PHE A  11      -1.265 -13.667  -5.907  1.00 64.44           H   new
ATOM      0  HB3 PHE A  11      -1.264 -13.443  -7.645  1.00 64.44           H   new
ATOM      0  HD1 PHE A  11      -0.255 -12.064  -4.454  1.00 60.42           H   new
ATOM      0  HD2 PHE A  11      -0.698 -11.188  -8.598  1.00 73.15           H   new
ATOM      0  HE1 PHE A  11       1.226 -10.121  -4.200  1.00 21.14           H   new
ATOM      0  HE2 PHE A  11       0.782  -9.245  -8.348  1.00 44.11           H   new
ATOM      0  HZ  PHE A  11       1.745  -8.704  -6.146  1.00 72.35           H   new
ATOM    195  N   ARG A  12      -5.012 -13.852  -7.019  1.00 74.10           N
ATOM    196  CA  ARG A  12      -5.907 -14.999  -6.916  1.00 51.35           C
ATOM    197  C   ARG A  12      -5.417 -16.150  -7.789  1.00 72.44           C
ATOM    198  O   ARG A  12      -5.697 -17.317  -7.512  1.00 51.20           O
ATOM    199  CB  ARG A  12      -7.327 -14.603  -7.326  1.00 10.33           C
ATOM    200  CG  ARG A  12      -7.493 -14.391  -8.822  1.00 31.24           C
ATOM    201  CD  ARG A  12      -8.741 -13.581  -9.134  1.00 52.25           C
ATOM    202  NE  ARG A  12      -8.573 -12.755 -10.327  1.00 42.21           N
ATOM    203  CZ  ARG A  12      -9.443 -11.825 -10.706  1.00 23.10           C
ATOM    204  NH1 ARG A  12     -10.536 -11.604  -9.989  1.00 60.02           N
ATOM    205  NH2 ARG A  12      -9.219 -11.114 -11.804  1.00 35.02           N
ATOM      0  H   ARG A  12      -5.396 -13.062  -7.538  1.00 74.10           H   new
ATOM      0  HA  ARG A  12      -5.915 -15.330  -5.878  1.00 51.35           H   new
ATOM      0  HB2 ARG A  12      -8.020 -15.378  -6.998  1.00 10.33           H   new
ATOM      0  HB3 ARG A  12      -7.604 -13.687  -6.805  1.00 10.33           H   new
ATOM      0  HG2 ARG A  12      -6.616 -13.878  -9.217  1.00 31.24           H   new
ATOM      0  HG3 ARG A  12      -7.550 -15.357  -9.323  1.00 31.24           H   new
ATOM      0  HD2 ARG A  12      -9.585 -14.256  -9.276  1.00 52.25           H   new
ATOM      0  HD3 ARG A  12      -8.982 -12.944  -8.283  1.00 52.25           H   new
ATOM      0  HE  ARG A  12      -7.742 -12.900 -10.901  1.00 42.21           H   new
ATOM      0 HH11 ARG A  12     -10.711 -12.148  -9.144  1.00 60.02           H   new
ATOM      0 HH12 ARG A  12     -11.202 -10.889 -10.282  1.00 60.02           H   new
ATOM      0 HH21 ARG A  12      -8.379 -11.281 -12.357  1.00 35.02           H   new
ATOM      0 HH22 ARG A  12      -9.887 -10.400 -12.095  1.00 35.02           H   new
ATOM    219  N   LYS A  13      -4.685 -15.815  -8.846  1.00  3.10           N
ATOM    220  CA  LYS A  13      -4.155 -16.820  -9.760  1.00 45.41           C
ATOM    221  C   LYS A  13      -3.001 -17.584  -9.118  1.00 73.54           C
ATOM    222  O   LYS A  13      -1.986 -16.997  -8.742  1.00 53.11           O
ATOM    223  CB  LYS A  13      -3.683 -16.160 -11.058  1.00 12.20           C
ATOM    224  CG  LYS A  13      -4.612 -16.402 -12.235  1.00 63.14           C
ATOM    225  CD  LYS A  13      -5.167 -15.099 -12.785  1.00 13.12           C
ATOM    226  CE  LYS A  13      -6.174 -15.347 -13.897  1.00 74.42           C
ATOM    227  NZ  LYS A  13      -6.070 -14.328 -14.978  1.00 31.02           N
ATOM      0  H   LYS A  13      -4.445 -14.854  -9.091  1.00  3.10           H   new
ATOM      0  HA  LYS A  13      -4.954 -17.526  -9.987  1.00 45.41           H   new
ATOM      0  HB2 LYS A  13      -3.587 -15.086 -10.896  1.00 12.20           H   new
ATOM      0  HB3 LYS A  13      -2.690 -16.535 -11.306  1.00 12.20           H   new
ATOM      0  HG2 LYS A  13      -4.074 -16.930 -13.022  1.00 63.14           H   new
ATOM      0  HG3 LYS A  13      -5.434 -17.046 -11.924  1.00 63.14           H   new
ATOM      0  HD2 LYS A  13      -5.642 -14.537 -11.981  1.00 13.12           H   new
ATOM      0  HD3 LYS A  13      -4.350 -14.485 -13.163  1.00 13.12           H   new
ATOM      0  HE2 LYS A  13      -6.013 -16.340 -14.317  1.00 74.42           H   new
ATOM      0  HE3 LYS A  13      -7.182 -15.335 -13.483  1.00 74.42           H   new
ATOM      0  HZ1 LYS A  13      -6.773 -14.532 -15.717  1.00 31.02           H   new
ATOM      0  HZ2 LYS A  13      -6.248 -13.383 -14.582  1.00 31.02           H   new
ATOM      0  HZ3 LYS A  13      -5.116 -14.356 -15.391  1.00 31.02           H   new
ATOM    241  N   LEU A  14      -3.163 -18.897  -8.998  1.00 31.54           N
ATOM    242  CA  LEU A  14      -2.134 -19.744  -8.403  1.00 13.43           C
ATOM    243  C   LEU A  14      -1.198 -20.296  -9.473  1.00 20.14           C
ATOM    244  O   LEU A  14      -0.454 -21.247  -9.231  1.00 64.23           O
ATOM    245  CB  LEU A  14      -2.778 -20.895  -7.628  1.00 51.12           C
ATOM    246  CG  LEU A  14      -3.698 -21.814  -8.433  1.00 42.10           C
ATOM    247  CD1 LEU A  14      -3.225 -23.256  -8.340  1.00 72.41           C
ATOM    248  CD2 LEU A  14      -5.134 -21.689  -7.947  1.00 55.01           C
ATOM      0  H   LEU A  14      -3.997 -19.399  -9.305  1.00 31.54           H   new
ATOM      0  HA  LEU A  14      -1.549 -19.134  -7.715  1.00 13.43           H   new
ATOM      0  HB2 LEU A  14      -1.985 -21.501  -7.191  1.00 51.12           H   new
ATOM      0  HB3 LEU A  14      -3.350 -20.474  -6.801  1.00 51.12           H   new
ATOM      0  HG  LEU A  14      -3.662 -21.508  -9.479  1.00 42.10           H   new
ATOM      0 HD11 LEU A  14      -3.891 -23.896  -8.919  1.00 72.41           H   new
ATOM      0 HD12 LEU A  14      -2.213 -23.333  -8.737  1.00 72.41           H   new
ATOM      0 HD13 LEU A  14      -3.231 -23.574  -7.298  1.00 72.41           H   new
ATOM      0 HD21 LEU A  14      -5.775 -22.350  -8.531  1.00 55.01           H   new
ATOM      0 HD22 LEU A  14      -5.188 -21.968  -6.895  1.00 55.01           H   new
ATOM      0 HD23 LEU A  14      -5.470 -20.659  -8.067  1.00 55.01           H   new
ATOM    260  N   THR A  15      -1.238 -19.692 -10.656  1.00 74.44           N
ATOM    261  CA  THR A  15      -0.393 -20.123 -11.763  1.00 54.21           C
ATOM    262  C   THR A  15       0.524 -18.996 -12.225  1.00 20.33           C
ATOM    263  O   THR A  15       0.327 -18.421 -13.295  1.00 53.33           O
ATOM    264  CB  THR A  15      -1.236 -20.606 -12.959  1.00 12.34           C
ATOM    265  OG1 THR A  15      -2.093 -19.552 -13.412  1.00 10.35           O
ATOM    266  CG2 THR A  15      -2.073 -21.817 -12.577  1.00 22.55           C
ATOM      0  H   THR A  15      -1.847 -18.903 -10.872  1.00 74.44           H   new
ATOM      0  HA  THR A  15       0.211 -20.952 -11.395  1.00 54.21           H   new
ATOM      0  HB  THR A  15      -0.557 -20.892 -13.762  1.00 12.34           H   new
ATOM      0  HG1 THR A  15      -1.549 -18.788 -13.697  1.00 10.35           H   new
ATOM      0 HG21 THR A  15      -2.659 -22.140 -13.437  1.00 22.55           H   new
ATOM      0 HG22 THR A  15      -1.417 -22.628 -12.260  1.00 22.55           H   new
ATOM      0 HG23 THR A  15      -2.744 -21.553 -11.759  1.00 22.55           H   new
ATOM    274  N   HIS A  16       1.528 -18.686 -11.411  1.00 65.31           N
ATOM    275  CA  HIS A  16       2.478 -17.628 -11.737  1.00 61.45           C
ATOM    276  C   HIS A  16       3.555 -18.140 -12.690  1.00  0.24           C
ATOM    277  O   HIS A  16       4.749 -18.006 -12.421  1.00 10.01           O
ATOM    278  CB  HIS A  16       3.124 -17.083 -10.464  1.00 23.24           C
ATOM    279  CG  HIS A  16       2.171 -16.956  -9.316  1.00 12.53           C
ATOM    280  ND1 HIS A  16       1.412 -15.826  -9.089  1.00 63.43           N
ATOM    281  CD2 HIS A  16       1.853 -17.824  -8.328  1.00 24.55           C
ATOM    282  CE1 HIS A  16       0.671 -16.006  -8.011  1.00 10.33           C
ATOM    283  NE2 HIS A  16       0.920 -17.210  -7.530  1.00 34.43           N
ATOM      0  H   HIS A  16       1.705 -19.152 -10.521  1.00 65.31           H   new
ATOM      0  HA  HIS A  16       1.933 -16.824 -12.231  1.00 61.45           H   new
ATOM      0  HB2 HIS A  16       3.945 -17.739 -10.173  1.00 23.24           H   new
ATOM      0  HB3 HIS A  16       3.557 -16.105 -10.676  1.00 23.24           H   new
ATOM      0  HD2 HIS A  16       2.258 -18.816  -8.192  1.00 24.55           H   new
ATOM      0  HE1 HIS A  16      -0.021 -15.290  -7.594  1.00 10.33           H   new
ATOM      0  HE2 HIS A  16       0.489 -17.618  -6.700  1.00 34.43           H   new
ATOM    291  N   ARG A  17       3.125 -18.726 -13.802  1.00 33.21           N
ATOM    292  CA  ARG A  17       4.052 -19.259 -14.792  1.00 61.35           C
ATOM    293  C   ARG A  17       4.935 -18.153 -15.361  1.00 42.34           C
ATOM    294  O   ARG A  17       6.100 -18.381 -15.692  1.00 12.04           O
ATOM    295  CB  ARG A  17       3.284 -19.946 -15.924  1.00  3.05           C
ATOM    296  CG  ARG A  17       3.414 -21.460 -15.916  1.00 61.31           C
ATOM    297  CD  ARG A  17       2.143 -22.126 -15.412  1.00  2.12           C
ATOM    298  NE  ARG A  17       2.071 -23.532 -15.800  1.00 13.03           N
ATOM    299  CZ  ARG A  17       0.978 -24.276 -15.667  1.00  0.41           C
ATOM    300  NH1 ARG A  17      -0.128 -23.750 -15.159  1.00 11.30           N
ATOM    301  NH2 ARG A  17       0.990 -25.548 -16.043  1.00 22.00           N
ATOM      0  H   ARG A  17       2.140 -18.844 -14.040  1.00 33.21           H   new
ATOM      0  HA  ARG A  17       4.690 -19.992 -14.298  1.00 61.35           H   new
ATOM      0  HB2 ARG A  17       2.230 -19.680 -15.850  1.00  3.05           H   new
ATOM      0  HB3 ARG A  17       3.643 -19.564 -16.880  1.00  3.05           H   new
ATOM      0  HG2 ARG A  17       3.636 -21.812 -16.923  1.00 61.31           H   new
ATOM      0  HG3 ARG A  17       4.253 -21.751 -15.284  1.00 61.31           H   new
ATOM      0  HD2 ARG A  17       2.099 -22.047 -14.326  1.00  2.12           H   new
ATOM      0  HD3 ARG A  17       1.276 -21.596 -15.806  1.00  2.12           H   new
ATOM      0  HE  ARG A  17       2.905 -23.967 -16.195  1.00 13.03           H   new
ATOM      0 HH11 ARG A  17      -0.141 -22.772 -14.869  1.00 11.30           H   new
ATOM      0 HH12 ARG A  17      -0.966 -24.323 -15.058  1.00 11.30           H   new
ATOM      0 HH21 ARG A  17       1.839 -25.956 -16.435  1.00 22.00           H   new
ATOM      0 HH22 ARG A  17       0.150 -26.118 -15.940  1.00 22.00           H   new
ATOM    315  N   LEU A  18       4.374 -16.954 -15.474  1.00 11.03           N
ATOM    316  CA  LEU A  18       5.110 -15.811 -16.003  1.00 73.13           C
ATOM    317  C   LEU A  18       5.187 -14.689 -14.973  1.00 41.43           C
ATOM    318  O   LEU A  18       6.174 -13.954 -14.913  1.00 34.42           O
ATOM    319  CB  LEU A  18       4.445 -15.300 -17.283  1.00  1.24           C
ATOM    320  CG  LEU A  18       4.116 -16.358 -18.337  1.00 14.54           C
ATOM    321  CD1 LEU A  18       3.345 -15.738 -19.492  1.00 14.12           C
ATOM    322  CD2 LEU A  18       5.388 -17.024 -18.839  1.00 30.21           C
ATOM      0  H   LEU A  18       3.412 -16.748 -15.206  1.00 11.03           H   new
ATOM      0  HA  LEU A  18       6.124 -16.138 -16.233  1.00 73.13           H   new
ATOM      0  HB2 LEU A  18       3.522 -14.789 -17.010  1.00  1.24           H   new
ATOM      0  HB3 LEU A  18       5.099 -14.556 -17.736  1.00  1.24           H   new
ATOM      0  HG  LEU A  18       3.489 -17.121 -17.876  1.00 14.54           H   new
ATOM      0 HD11 LEU A  18       3.119 -16.505 -20.232  1.00 14.12           H   new
ATOM      0 HD12 LEU A  18       2.415 -15.308 -19.120  1.00 14.12           H   new
ATOM      0 HD13 LEU A  18       3.947 -14.955 -19.953  1.00 14.12           H   new
ATOM      0 HD21 LEU A  18       5.135 -17.774 -19.588  1.00 30.21           H   new
ATOM      0 HD22 LEU A  18       6.041 -16.273 -19.284  1.00 30.21           H   new
ATOM      0 HD23 LEU A  18       5.901 -17.503 -18.005  1.00 30.21           H   new
ATOM    334  N   PHE A  19       4.141 -14.563 -14.163  1.00 41.44           N
ATOM    335  CA  PHE A  19       4.091 -13.530 -13.134  1.00 71.55           C
ATOM    336  C   PHE A  19       5.293 -13.634 -12.201  1.00 23.42           C
ATOM    337  O   PHE A  19       5.705 -12.648 -11.590  1.00 22.12           O
ATOM    338  CB  PHE A  19       2.795 -13.645 -12.330  1.00 34.42           C
ATOM    339  CG  PHE A  19       1.689 -12.768 -12.845  1.00 64.40           C
ATOM    340  CD1 PHE A  19       1.173 -12.958 -14.116  1.00 55.45           C
ATOM    341  CD2 PHE A  19       1.168 -11.754 -12.058  1.00 31.31           C
ATOM    342  CE1 PHE A  19       0.155 -12.153 -14.594  1.00  3.54           C
ATOM    343  CE2 PHE A  19       0.150 -10.946 -12.529  1.00 64.44           C
ATOM    344  CZ  PHE A  19      -0.356 -11.145 -13.799  1.00 43.02           C
ATOM      0  H   PHE A  19       3.317 -15.163 -14.199  1.00 41.44           H   new
ATOM      0  HA  PHE A  19       4.119 -12.558 -13.627  1.00 71.55           H   new
ATOM      0  HB2 PHE A  19       2.461 -14.682 -12.342  1.00 34.42           H   new
ATOM      0  HB3 PHE A  19       2.998 -13.387 -11.290  1.00 34.42           H   new
ATOM      0  HD1 PHE A  19       1.570 -13.744 -14.741  1.00 55.45           H   new
ATOM      0  HD2 PHE A  19       1.562 -11.593 -11.065  1.00 31.31           H   new
ATOM      0  HE1 PHE A  19      -0.240 -12.312 -15.587  1.00  3.54           H   new
ATOM      0  HE2 PHE A  19      -0.249 -10.160 -11.905  1.00 64.44           H   new
ATOM      0  HZ  PHE A  19      -1.150 -10.514 -14.170  1.00 43.02           H   new
ATOM    354  N   ARG A  20       5.851 -14.836 -12.095  1.00 70.15           N
ATOM    355  CA  ARG A  20       7.005 -15.070 -11.235  1.00 74.24           C
ATOM    356  C   ARG A  20       8.224 -14.306 -11.742  1.00  3.12           C
ATOM    357  O   ARG A  20       9.073 -13.881 -10.957  1.00 54.12           O
ATOM    358  CB  ARG A  20       7.320 -16.566 -11.165  1.00 13.44           C
ATOM    359  CG  ARG A  20       6.910 -17.213  -9.852  1.00  1.22           C
ATOM    360  CD  ARG A  20       7.853 -18.344  -9.470  1.00 55.34           C
ATOM    361  NE  ARG A  20       9.225 -17.877  -9.296  1.00 44.14           N
ATOM    362  CZ  ARG A  20      10.268 -18.691  -9.175  1.00  3.55           C
ATOM    363  NH1 ARG A  20      10.096 -20.005  -9.208  1.00 53.30           N
ATOM    364  NH2 ARG A  20      11.487 -18.190  -9.019  1.00 43.13           N
ATOM      0  H   ARG A  20       5.522 -15.663 -12.594  1.00 70.15           H   new
ATOM      0  HA  ARG A  20       6.761 -14.709 -10.236  1.00 74.24           H   new
ATOM      0  HB2 ARG A  20       6.813 -17.074 -11.985  1.00 13.44           H   new
ATOM      0  HB3 ARG A  20       8.390 -16.711 -11.313  1.00 13.44           H   new
ATOM      0  HG2 ARG A  20       6.902 -16.462  -9.062  1.00  1.22           H   new
ATOM      0  HG3 ARG A  20       5.894 -17.598  -9.936  1.00  1.22           H   new
ATOM      0  HD2 ARG A  20       7.508 -18.807  -8.546  1.00 55.34           H   new
ATOM      0  HD3 ARG A  20       7.827 -19.114 -10.241  1.00 55.34           H   new
ATOM      0  HE  ARG A  20       9.392 -16.871  -9.266  1.00 44.14           H   new
ATOM      0 HH11 ARG A  20       9.161 -20.394  -9.327  1.00 53.30           H   new
ATOM      0 HH12 ARG A  20      10.899 -20.627  -9.115  1.00 53.30           H   new
ATOM      0 HH21 ARG A  20      11.623 -17.180  -8.992  1.00 43.13           H   new
ATOM      0 HH22 ARG A  20      12.287 -18.815  -8.926  1.00 43.13           H   new
ATOM    378  N   ARG A  21       8.305 -14.136 -13.057  1.00 43.33           N
ATOM    379  CA  ARG A  21       9.422 -13.424 -13.668  1.00 73.54           C
ATOM    380  C   ARG A  21       8.935 -12.183 -14.410  1.00 72.12           C
ATOM    381  O   ARG A  21       9.577 -11.718 -15.351  1.00 23.24           O
ATOM    382  CB  ARG A  21      10.175 -14.345 -14.631  1.00 55.52           C
ATOM    383  CG  ARG A  21      10.779 -15.566 -13.959  1.00 31.33           C
ATOM    384  CD  ARG A  21      12.124 -15.929 -14.568  1.00 60.41           C
ATOM    385  NE  ARG A  21      13.208 -15.113 -14.028  1.00 31.22           N
ATOM    386  CZ  ARG A  21      14.491 -15.318 -14.305  1.00 53.14           C
ATOM    387  NH1 ARG A  21      14.848 -16.307 -15.113  1.00 51.33           N
ATOM    388  NH2 ARG A  21      15.419 -14.532 -13.775  1.00 22.31           N
ATOM      0  H   ARG A  21       7.611 -14.481 -13.720  1.00 43.33           H   new
ATOM      0  HA  ARG A  21      10.098 -13.109 -12.873  1.00 73.54           H   new
ATOM      0  HB2 ARG A  21       9.492 -14.673 -15.415  1.00 55.52           H   new
ATOM      0  HB3 ARG A  21      10.969 -13.778 -15.116  1.00 55.52           H   new
ATOM      0  HG2 ARG A  21      10.901 -15.373 -12.893  1.00 31.33           H   new
ATOM      0  HG3 ARG A  21      10.096 -16.410 -14.054  1.00 31.33           H   new
ATOM      0  HD2 ARG A  21      12.335 -16.982 -14.380  1.00 60.41           H   new
ATOM      0  HD3 ARG A  21      12.078 -15.801 -15.650  1.00 60.41           H   new
ATOM      0  HE  ARG A  21      12.967 -14.343 -13.404  1.00 31.22           H   new
ATOM      0 HH11 ARG A  21      14.137 -16.912 -15.523  1.00 51.33           H   new
ATOM      0 HH12 ARG A  21      15.834 -16.462 -15.324  1.00 51.33           H   new
ATOM      0 HH21 ARG A  21      15.148 -13.770 -13.154  1.00 22.31           H   new
ATOM      0 HH22 ARG A  21      16.404 -14.690 -13.988  1.00 22.31           H   new
ATOM    402  N   ASN A  22       7.795 -11.652 -13.980  1.00 73.22           N
ATOM    403  CA  ASN A  22       7.221 -10.466 -14.604  1.00 51.53           C
ATOM    404  C   ASN A  22       7.181  -9.299 -13.621  1.00 73.43           C
ATOM    405  O   ASN A  22       7.058  -8.141 -14.020  1.00 60.11           O
ATOM    406  CB  ASN A  22       5.810 -10.765 -15.116  1.00 44.51           C
ATOM    407  CG  ASN A  22       5.721 -10.710 -16.629  1.00 13.10           C
ATOM    408  OD1 ASN A  22       5.542  -9.641 -17.213  1.00 60.12           O
ATOM    409  ND2 ASN A  22       5.844 -11.866 -17.271  1.00  3.21           N
ATOM      0  H   ASN A  22       7.251 -12.024 -13.202  1.00 73.22           H   new
ATOM      0  HA  ASN A  22       7.854 -10.187 -15.446  1.00 51.53           H   new
ATOM      0  HB2 ASN A  22       5.503 -11.753 -14.772  1.00 44.51           H   new
ATOM      0  HB3 ASN A  22       5.111 -10.047 -14.687  1.00 44.51           H   new
ATOM      0 HD21 ASN A  22       5.791 -11.892 -18.289  1.00  3.21           H   new
ATOM      0 HD22 ASN A  22       5.991 -12.728 -16.746  1.00  3.21           H   new
ATOM    416  N   PHE A  23       7.286  -9.614 -12.334  1.00 55.33           N
ATOM    417  CA  PHE A  23       7.261  -8.593 -11.294  1.00 11.35           C
ATOM    418  C   PHE A  23       8.258  -7.479 -11.601  1.00 13.14           C
ATOM    419  O   PHE A  23       7.990  -6.305 -11.350  1.00 10.42           O
ATOM    420  CB  PHE A  23       7.577  -9.215  -9.932  1.00  3.52           C
ATOM    421  CG  PHE A  23       8.998  -9.684  -9.803  1.00 22.02           C
ATOM    422  CD1 PHE A  23       9.393 -10.896 -10.346  1.00  4.12           C
ATOM    423  CD2 PHE A  23       9.939  -8.914  -9.138  1.00 14.41           C
ATOM    424  CE1 PHE A  23      10.700 -11.331 -10.229  1.00 42.22           C
ATOM    425  CE2 PHE A  23      11.247  -9.343  -9.019  1.00 31.04           C
ATOM    426  CZ  PHE A  23      11.628 -10.554  -9.564  1.00 11.42           C
ATOM      0  H   PHE A  23       7.389 -10.568 -11.987  1.00 55.33           H   new
ATOM      0  HA  PHE A  23       6.260  -8.163 -11.266  1.00 11.35           H   new
ATOM      0  HB2 PHE A  23       7.372  -8.483  -9.151  1.00  3.52           H   new
ATOM      0  HB3 PHE A  23       6.908 -10.058  -9.762  1.00  3.52           H   new
ATOM      0  HD1 PHE A  23       8.671 -11.508 -10.867  1.00  4.12           H   new
ATOM      0  HD2 PHE A  23       9.647  -7.968  -8.708  1.00 14.41           H   new
ATOM      0  HE1 PHE A  23      10.995 -12.278 -10.657  1.00 42.22           H   new
ATOM      0  HE2 PHE A  23      11.971  -8.732  -8.500  1.00 31.04           H   new
ATOM      0  HZ  PHE A  23      12.649 -10.892  -9.470  1.00 11.42           H   new
ATOM    436  N   GLY A  24       9.410  -7.858 -12.145  1.00 41.42           N
ATOM    437  CA  GLY A  24      10.430  -6.880 -12.477  1.00 63.31           C
ATOM    438  C   GLY A  24       9.888  -5.737 -13.312  1.00 64.22           C
ATOM    439  O   GLY A  24      10.403  -4.620 -13.256  1.00 14.11           O
ATOM      0  H   GLY A  24       9.655  -8.824 -12.362  1.00 41.42           H   new
ATOM      0  HA2 GLY A  24      10.860  -6.482 -11.558  1.00 63.31           H   new
ATOM      0  HA3 GLY A  24      11.237  -7.372 -13.020  1.00 63.31           H   new
ATOM    443  N   TYR A  25       8.849  -6.016 -14.090  1.00 74.42           N
ATOM    444  CA  TYR A  25       8.239  -5.004 -14.944  1.00 42.40           C
ATOM    445  C   TYR A  25       7.338  -4.078 -14.133  1.00 10.32           C
ATOM    446  O   TYR A  25       7.223  -2.888 -14.428  1.00 11.53           O
ATOM    447  CB  TYR A  25       7.433  -5.667 -16.062  1.00 44.12           C
ATOM    448  CG  TYR A  25       8.258  -6.009 -17.282  1.00 44.44           C
ATOM    449  CD1 TYR A  25       7.831  -5.654 -18.556  1.00 14.21           C
ATOM    450  CD2 TYR A  25       9.465  -6.687 -17.162  1.00 51.11           C
ATOM    451  CE1 TYR A  25       8.581  -5.964 -19.674  1.00 34.42           C
ATOM    452  CE2 TYR A  25      10.222  -7.000 -18.274  1.00 62.21           C
ATOM    453  CZ  TYR A  25       9.776  -6.637 -19.528  1.00 33.23           C
ATOM    454  OH  TYR A  25      10.526  -6.949 -20.638  1.00 45.20           O
ATOM      0  H   TYR A  25       8.411  -6.935 -14.147  1.00 74.42           H   new
ATOM      0  HA  TYR A  25       9.038  -4.409 -15.386  1.00 42.40           H   new
ATOM      0  HB2 TYR A  25       6.974  -6.578 -15.677  1.00 44.12           H   new
ATOM      0  HB3 TYR A  25       6.622  -5.002 -16.357  1.00 44.12           H   new
ATOM      0  HD1 TYR A  25       6.896  -5.126 -18.674  1.00 14.21           H   new
ATOM      0  HD2 TYR A  25       9.817  -6.974 -16.182  1.00 51.11           H   new
ATOM      0  HE1 TYR A  25       8.234  -5.681 -20.657  1.00 34.42           H   new
ATOM      0  HE2 TYR A  25      11.158  -7.526 -18.162  1.00 62.21           H   new
ATOM      0  HH  TYR A  25      11.339  -7.422 -20.361  1.00 45.20           H   new
ATOM    464  N   THR A  26       6.700  -4.633 -13.107  1.00 73.02           N
ATOM    465  CA  THR A  26       5.808  -3.859 -12.252  1.00 61.45           C
ATOM    466  C   THR A  26       6.594  -3.046 -11.231  1.00 24.33           C
ATOM    467  O   THR A  26       6.257  -1.897 -10.944  1.00 34.03           O
ATOM    468  CB  THR A  26       4.812  -4.770 -11.510  1.00 54.32           C
ATOM    469  OG1 THR A  26       5.265  -6.128 -11.550  1.00 53.55           O
ATOM    470  CG2 THR A  26       3.426  -4.674 -12.130  1.00 53.30           C
ATOM      0  H   THR A  26       6.785  -5.616 -12.848  1.00 73.02           H   new
ATOM      0  HA  THR A  26       5.255  -3.182 -12.903  1.00 61.45           H   new
ATOM      0  HB  THR A  26       4.753  -4.438 -10.473  1.00 54.32           H   new
ATOM      0  HG1 THR A  26       4.819  -6.642 -10.845  1.00 53.55           H   new
ATOM      0 HG21 THR A  26       2.740  -5.326 -11.590  1.00 53.30           H   new
ATOM      0 HG22 THR A  26       3.071  -3.645 -12.071  1.00 53.30           H   new
ATOM      0 HG23 THR A  26       3.472  -4.982 -13.174  1.00 53.30           H   new
ATOM    478  N   LEU A  27       7.645  -3.649 -10.684  1.00 50.54           N
ATOM    479  CA  LEU A  27       8.481  -2.979  -9.694  1.00 21.21           C
ATOM    480  C   LEU A  27       9.181  -1.768 -10.301  1.00 42.13           C
ATOM    481  O   LEU A  27       9.472  -0.794  -9.607  1.00  3.11           O
ATOM    482  CB  LEU A  27       9.518  -3.953  -9.131  1.00 41.13           C
ATOM    483  CG  LEU A  27       9.217  -4.528  -7.747  1.00 72.40           C
ATOM    484  CD1 LEU A  27      10.219  -5.615  -7.391  1.00 62.31           C
ATOM    485  CD2 LEU A  27       9.227  -3.427  -6.698  1.00 10.54           C
ATOM      0  H   LEU A  27       7.938  -4.600 -10.909  1.00 50.54           H   new
ATOM      0  HA  LEU A  27       7.837  -2.635  -8.885  1.00 21.21           H   new
ATOM      0  HB2 LEU A  27       9.626  -4.782  -9.831  1.00 41.13           H   new
ATOM      0  HB3 LEU A  27      10.481  -3.443  -9.089  1.00 41.13           H   new
ATOM      0  HG  LEU A  27       8.222  -4.973  -7.768  1.00 72.40           H   new
ATOM      0 HD11 LEU A  27       9.989  -6.012  -6.402  1.00 62.31           H   new
ATOM      0 HD12 LEU A  27      10.162  -6.417  -8.127  1.00 62.31           H   new
ATOM      0 HD13 LEU A  27      11.225  -5.196  -7.388  1.00 62.31           H   new
ATOM      0 HD21 LEU A  27       9.011  -3.855  -5.719  1.00 10.54           H   new
ATOM      0 HD22 LEU A  27      10.208  -2.953  -6.678  1.00 10.54           H   new
ATOM      0 HD23 LEU A  27       8.469  -2.683  -6.944  1.00 10.54           H   new
ATOM    497  N   ARG A  28       9.447  -1.835 -11.602  1.00 13.22           N
ATOM    498  CA  ARG A  28      10.112  -0.743 -12.303  1.00 75.21           C
ATOM    499  C   ARG A  28       9.338   0.562 -12.135  1.00 64.41           C
ATOM    500  O   ARG A  28       9.812   1.496 -11.489  1.00 44.53           O
ATOM    501  CB  ARG A  28      10.255  -1.076 -13.789  1.00 51.24           C
ATOM    502  CG  ARG A  28      11.542  -0.556 -14.409  1.00 11.35           C
ATOM    503  CD  ARG A  28      11.442  -0.485 -15.924  1.00 51.32           C
ATOM    504  NE  ARG A  28      12.723  -0.153 -16.542  1.00 70.54           N
ATOM    505  CZ  ARG A  28      12.926  -0.148 -17.855  1.00 70.11           C
ATOM    506  NH1 ARG A  28      11.937  -0.454 -18.683  1.00 51.25           N
ATOM    507  NH2 ARG A  28      14.120   0.164 -18.342  1.00  3.33           N
ATOM      0  H   ARG A  28       9.212  -2.634 -12.191  1.00 13.22           H   new
ATOM      0  HA  ARG A  28      11.104  -0.616 -11.869  1.00 75.21           H   new
ATOM      0  HB2 ARG A  28      10.212  -2.158 -13.916  1.00 51.24           H   new
ATOM      0  HB3 ARG A  28       9.406  -0.657 -14.330  1.00 51.24           H   new
ATOM      0  HG2 ARG A  28      11.764   0.434 -14.011  1.00 11.35           H   new
ATOM      0  HG3 ARG A  28      12.371  -1.206 -14.128  1.00 11.35           H   new
ATOM      0  HD2 ARG A  28      11.091  -1.442 -16.309  1.00 51.32           H   new
ATOM      0  HD3 ARG A  28      10.700   0.263 -16.204  1.00 51.32           H   new
ATOM      0  HE  ARG A  28      13.504   0.088 -15.932  1.00 70.54           H   new
ATOM      0 HH11 ARG A  28      11.017  -0.694 -18.312  1.00 51.25           H   new
ATOM      0 HH12 ARG A  28      12.096  -0.449 -19.691  1.00 51.25           H   new
ATOM      0 HH21 ARG A  28      14.883   0.400 -17.708  1.00  3.33           H   new
ATOM      0 HH22 ARG A  28      14.275   0.167 -19.350  1.00  3.33           H   new