USER  MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=8
USER  MOD reduce.3.24.130724 removed 186 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  26 SER OG  :   rot  180:sc= -0.0801
USER  MOD Set 1.2: A  27 HIS     :     no HD1:sc=       0  X(o=-0.08,f=-0.08)
USER  MOD Set 2.1: A  15 CYS SG  :   rot  115:sc=   -1.31!
USER  MOD Set 2.2: A  18 CYS SG  :   rot  -54:sc=   -1.99
USER  MOD Set 2.3: A  31 HIS     :     no HD1:sc=    -5.1! K(o=-13!,f=-15)
USER  MOD Set 2.4: A  32 HIS     :     no HD1:sc=   -1.65  K(o=-13,f=-14!)
USER  MOD Set 2.5: A  35 HIS     :     no HD1:sc=   -2.93! K(o=-13!,f=-15)
USER  MOD Single : A  13 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  14 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  16 GLN     :      amide:sc=       0  K(o=0,f=-0.92)
USER  MOD Single : A  20 LYS NZ  :NH3+   -160:sc=  -0.017   (180deg=-0.26)
USER  MOD Single : A  25 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  30 GLN     :FLIP  amide:sc=  -0.204  F(o=-0.98,f=-0.2)
USER  MOD Single : A  33 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    124  N   PRO A  12      -8.511 -10.767  -3.925  1.00  0.00           N
ATOM    125  CA  PRO A  12      -9.359 -10.433  -2.777  1.00  0.00           C
ATOM    126  C   PRO A  12      -9.187  -8.985  -2.331  1.00  0.00           C
ATOM    127  O   PRO A  12     -10.125  -8.363  -1.831  1.00  0.00           O
ATOM    128  CB  PRO A  12      -8.872 -11.390  -1.686  1.00  0.00           C
ATOM    129  CG  PRO A  12      -7.465 -11.706  -2.059  1.00  0.00           C
ATOM    130  CD  PRO A  12      -7.422 -11.690  -3.562  1.00  0.00           C
ATOM      0  HA  PRO A  12     -10.419 -10.534  -3.010  1.00  0.00           H   new
ATOM      0  HB2 PRO A  12      -8.926 -10.927  -0.701  1.00  0.00           H   new
ATOM      0  HB3 PRO A  12      -9.484 -12.292  -1.648  1.00  0.00           H   new
ATOM      0  HG2 PRO A  12      -6.776 -10.972  -1.641  1.00  0.00           H   new
ATOM      0  HG3 PRO A  12      -7.167 -12.680  -1.670  1.00  0.00           H   new
ATOM      0  HD2 PRO A  12      -6.459 -11.340  -3.933  1.00  0.00           H   new
ATOM      0  HD3 PRO A  12      -7.582 -12.684  -3.979  1.00  0.00           H   new
ATOM    138  N   TYR A  13      -7.984  -8.453  -2.516  1.00  0.00           N
ATOM    139  CA  TYR A  13      -7.688  -7.078  -2.130  1.00  0.00           C
ATOM    140  C   TYR A  13      -7.602  -6.175  -3.357  1.00  0.00           C
ATOM    141  O   TYR A  13      -7.080  -6.571  -4.399  1.00  0.00           O
ATOM    142  CB  TYR A  13      -6.377  -7.017  -1.345  1.00  0.00           C
ATOM    143  CG  TYR A  13      -6.126  -8.238  -0.490  1.00  0.00           C
ATOM    144  CD1 TYR A  13      -7.164  -8.857   0.196  1.00  0.00           C
ATOM    145  CD2 TYR A  13      -4.850  -8.775  -0.369  1.00  0.00           C
ATOM    146  CE1 TYR A  13      -6.939  -9.973   0.978  1.00  0.00           C
ATOM    147  CE2 TYR A  13      -4.615  -9.891   0.410  1.00  0.00           C
ATOM    148  CZ  TYR A  13      -5.663 -10.486   1.082  1.00  0.00           C
ATOM    149  OH  TYR A  13      -5.434 -11.599   1.859  1.00  0.00           O
ATOM      0  H   TYR A  13      -7.198  -8.953  -2.931  1.00  0.00           H   new
ATOM      0  HA  TYR A  13      -8.500  -6.723  -1.495  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13      -5.550  -6.897  -2.045  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13      -6.386  -6.133  -0.707  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13      -8.165  -8.458   0.116  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13      -4.028  -8.311  -0.893  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13      -7.757 -10.441   1.505  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13      -3.617 -10.296   0.493  1.00  0.00           H   new
ATOM      0  HH  TYR A  13      -4.483 -11.832   1.824  1.00  0.00           H   new
ATOM    159  N   LYS A  14      -8.117  -4.958  -3.224  1.00  0.00           N
ATOM    160  CA  LYS A  14      -8.098  -3.995  -4.319  1.00  0.00           C
ATOM    161  C   LYS A  14      -8.150  -2.566  -3.788  1.00  0.00           C
ATOM    162  O   LYS A  14      -8.960  -2.245  -2.918  1.00  0.00           O
ATOM    163  CB  LYS A  14      -9.277  -4.242  -5.264  1.00  0.00           C
ATOM    164  CG  LYS A  14      -9.440  -3.169  -6.326  1.00  0.00           C
ATOM    165  CD  LYS A  14     -10.892  -3.021  -6.750  1.00  0.00           C
ATOM    166  CE  LYS A  14     -11.009  -2.362  -8.116  1.00  0.00           C
ATOM    167  NZ  LYS A  14     -12.265  -2.753  -8.814  1.00  0.00           N
ATOM      0  H   LYS A  14      -8.553  -4.615  -2.368  1.00  0.00           H   new
ATOM      0  HA  LYS A  14      -7.166  -4.126  -4.869  1.00  0.00           H   new
ATOM      0  HB2 LYS A  14      -9.144  -5.207  -5.752  1.00  0.00           H   new
ATOM      0  HB3 LYS A  14     -10.194  -4.304  -4.678  1.00  0.00           H   new
ATOM      0  HG2 LYS A  14      -9.073  -2.217  -5.942  1.00  0.00           H   new
ATOM      0  HG3 LYS A  14      -8.830  -3.419  -7.194  1.00  0.00           H   new
ATOM      0  HD2 LYS A  14     -11.366  -4.002  -6.776  1.00  0.00           H   new
ATOM      0  HD3 LYS A  14     -11.429  -2.427  -6.011  1.00  0.00           H   new
ATOM      0  HE2 LYS A  14     -10.980  -1.279  -8.000  1.00  0.00           H   new
ATOM      0  HE3 LYS A  14     -10.151  -2.640  -8.728  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  14     -12.308  -2.283  -9.741  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  14     -12.282  -3.784  -8.947  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  14     -13.084  -2.465  -8.242  1.00  0.00           H   new
ATOM    181  N   CYS A  15      -7.282  -1.711  -4.318  1.00  0.00           N
ATOM    182  CA  CYS A  15      -7.229  -0.316  -3.899  1.00  0.00           C
ATOM    183  C   CYS A  15      -8.582   0.362  -4.093  1.00  0.00           C
ATOM    184  O   CYS A  15      -9.527  -0.249  -4.589  1.00  0.00           O
ATOM    185  CB  CYS A  15      -6.153   0.435  -4.686  1.00  0.00           C
ATOM    186  SG  CYS A  15      -5.378   1.804  -3.767  1.00  0.00           S
ATOM      0  H   CYS A  15      -6.605  -1.960  -5.039  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -6.978  -0.291  -2.839  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -5.379  -0.271  -4.986  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -6.596   0.830  -5.600  1.00  0.00           H   new
ATOM      0  HG  CYS A  15      -4.122   1.536  -3.566  1.00  0.00           H   new
ATOM    191  N   GLN A  16      -8.665   1.629  -3.697  1.00  0.00           N
ATOM    192  CA  GLN A  16      -9.903   2.389  -3.827  1.00  0.00           C
ATOM    193  C   GLN A  16      -9.652   3.720  -4.528  1.00  0.00           C
ATOM    194  O   GLN A  16     -10.532   4.252  -5.206  1.00  0.00           O
ATOM    195  CB  GLN A  16     -10.523   2.633  -2.450  1.00  0.00           C
ATOM    196  CG  GLN A  16     -10.635   1.377  -1.602  1.00  0.00           C
ATOM    197  CD  GLN A  16     -11.662   0.400  -2.139  1.00  0.00           C
ATOM    198  OE1 GLN A  16     -12.634   0.795  -2.784  1.00  0.00           O
ATOM    199  NE2 GLN A  16     -11.453  -0.885  -1.874  1.00  0.00           N
ATOM      0  H   GLN A  16      -7.891   2.150  -3.284  1.00  0.00           H   new
ATOM      0  HA  GLN A  16     -10.597   1.805  -4.432  1.00  0.00           H   new
ATOM      0  HB2 GLN A  16      -9.923   3.370  -1.916  1.00  0.00           H   new
ATOM      0  HB3 GLN A  16     -11.516   3.064  -2.579  1.00  0.00           H   new
ATOM      0  HG2 GLN A  16      -9.663   0.887  -1.555  1.00  0.00           H   new
ATOM      0  HG3 GLN A  16     -10.901   1.654  -0.582  1.00  0.00           H   new
ATOM      0 HE21 GLN A  16     -10.634  -1.168  -1.336  1.00  0.00           H   new
ATOM      0 HE22 GLN A  16     -12.111  -1.588  -2.209  1.00  0.00           H   new
ATOM    208  N   VAL A  17      -8.447   4.255  -4.360  1.00  0.00           N
ATOM    209  CA  VAL A  17      -8.080   5.524  -4.977  1.00  0.00           C
ATOM    210  C   VAL A  17      -7.806   5.351  -6.467  1.00  0.00           C
ATOM    211  O   VAL A  17      -8.176   6.199  -7.279  1.00  0.00           O
ATOM    212  CB  VAL A  17      -6.837   6.136  -4.305  1.00  0.00           C
ATOM    213  CG1 VAL A  17      -7.182   6.662  -2.920  1.00  0.00           C
ATOM    214  CG2 VAL A  17      -5.713   5.113  -4.231  1.00  0.00           C
ATOM      0  H   VAL A  17      -7.708   3.829  -3.801  1.00  0.00           H   new
ATOM      0  HA  VAL A  17      -8.926   6.198  -4.842  1.00  0.00           H   new
ATOM      0  HB  VAL A  17      -6.495   6.975  -4.911  1.00  0.00           H   new
ATOM      0 HG11 VAL A  17      -6.291   7.091  -2.461  1.00  0.00           H   new
ATOM      0 HG12 VAL A  17      -7.952   7.429  -3.003  1.00  0.00           H   new
ATOM      0 HG13 VAL A  17      -7.551   5.844  -2.301  1.00  0.00           H   new
ATOM      0 HG21 VAL A  17      -4.843   5.563  -3.753  1.00  0.00           H   new
ATOM      0 HG22 VAL A  17      -6.042   4.252  -3.649  1.00  0.00           H   new
ATOM      0 HG23 VAL A  17      -5.448   4.790  -5.238  1.00  0.00           H   new
ATOM    224  N   CYS A  18      -7.156   4.247  -6.819  1.00  0.00           N
ATOM    225  CA  CYS A  18      -6.832   3.962  -8.212  1.00  0.00           C
ATOM    226  C   CYS A  18      -7.573   2.720  -8.699  1.00  0.00           C
ATOM    227  O   CYS A  18      -7.886   2.596  -9.882  1.00  0.00           O
ATOM    228  CB  CYS A  18      -5.323   3.767  -8.376  1.00  0.00           C
ATOM    229  SG  CYS A  18      -4.667   2.296  -7.524  1.00  0.00           S
ATOM      0  H   CYS A  18      -6.843   3.535  -6.159  1.00  0.00           H   new
ATOM      0  HA  CYS A  18      -7.149   4.813  -8.815  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18      -5.090   3.693  -9.438  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18      -4.810   4.651  -7.999  1.00  0.00           H   new
ATOM      0  HG  CYS A  18      -5.019   2.326  -6.273  1.00  0.00           H   new
ATOM    234  N   GLY A  19      -7.850   1.803  -7.777  1.00  0.00           N
ATOM    235  CA  GLY A  19      -8.551   0.583  -8.132  1.00  0.00           C
ATOM    236  C   GLY A  19      -7.606  -0.567  -8.420  1.00  0.00           C
ATOM    237  O   GLY A  19      -7.967  -1.519  -9.112  1.00  0.00           O
ATOM      0  H   GLY A  19      -7.602   1.883  -6.791  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19      -9.221   0.303  -7.319  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19      -9.172   0.767  -9.009  1.00  0.00           H   new
ATOM    241  N   LYS A  20      -6.392  -0.479  -7.888  1.00  0.00           N
ATOM    242  CA  LYS A  20      -5.390  -1.520  -8.091  1.00  0.00           C
ATOM    243  C   LYS A  20      -5.800  -2.813  -7.394  1.00  0.00           C
ATOM    244  O   LYS A  20      -6.790  -2.848  -6.664  1.00  0.00           O
ATOM    245  CB  LYS A  20      -4.029  -1.055  -7.569  1.00  0.00           C
ATOM    246  CG  LYS A  20      -3.212  -0.291  -8.596  1.00  0.00           C
ATOM    247  CD  LYS A  20      -2.579  -1.226  -9.612  1.00  0.00           C
ATOM    248  CE  LYS A  20      -1.200  -1.686  -9.165  1.00  0.00           C
ATOM    249  NZ  LYS A  20      -0.204  -0.580  -9.215  1.00  0.00           N
ATOM      0  H   LYS A  20      -6.077   0.302  -7.313  1.00  0.00           H   new
ATOM      0  HA  LYS A  20      -5.315  -1.714  -9.161  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20      -4.182  -0.422  -6.695  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20      -3.460  -1.924  -7.238  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20      -3.851   0.427  -9.110  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20      -2.433   0.280  -8.091  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20      -3.222  -2.093  -9.760  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20      -2.500  -0.720 -10.574  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20      -1.259  -2.076  -8.149  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20      -0.866  -2.505  -9.802  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       0.756  -0.978  -9.239  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20      -0.363  -0.008 -10.069  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20      -0.309   0.020  -8.372  1.00  0.00           H   new
ATOM    263  N   ALA A  21      -5.032  -3.873  -7.623  1.00  0.00           N
ATOM    264  CA  ALA A  21      -5.314  -5.167  -7.014  1.00  0.00           C
ATOM    265  C   ALA A  21      -4.028  -5.947  -6.763  1.00  0.00           C
ATOM    266  O   ALA A  21      -3.105  -5.921  -7.577  1.00  0.00           O
ATOM    267  CB  ALA A  21      -6.257  -5.971  -7.896  1.00  0.00           C
ATOM      0  H   ALA A  21      -4.209  -3.861  -8.226  1.00  0.00           H   new
ATOM      0  HA  ALA A  21      -5.795  -4.991  -6.052  1.00  0.00           H   new
ATOM      0  HB1 ALA A  21      -6.459  -6.935  -7.429  1.00  0.00           H   new
ATOM      0  HB2 ALA A  21      -7.192  -5.425  -8.021  1.00  0.00           H   new
ATOM      0  HB3 ALA A  21      -5.797  -6.130  -8.871  1.00  0.00           H   new
ATOM    273  N   PHE A  22      -3.973  -6.639  -5.630  1.00  0.00           N
ATOM    274  CA  PHE A  22      -2.799  -7.425  -5.270  1.00  0.00           C
ATOM    275  C   PHE A  22      -3.200  -8.679  -4.498  1.00  0.00           C
ATOM    276  O   PHE A  22      -3.605  -8.603  -3.337  1.00  0.00           O
ATOM    277  CB  PHE A  22      -1.833  -6.584  -4.434  1.00  0.00           C
ATOM    278  CG  PHE A  22      -1.695  -5.169  -4.919  1.00  0.00           C
ATOM    279  CD1 PHE A  22      -2.742  -4.272  -4.783  1.00  0.00           C
ATOM    280  CD2 PHE A  22      -0.519  -4.736  -5.509  1.00  0.00           C
ATOM    281  CE1 PHE A  22      -2.619  -2.970  -5.229  1.00  0.00           C
ATOM    282  CE2 PHE A  22      -0.390  -3.435  -5.957  1.00  0.00           C
ATOM    283  CZ  PHE A  22      -1.441  -2.551  -5.816  1.00  0.00           C
ATOM      0  H   PHE A  22      -4.728  -6.671  -4.945  1.00  0.00           H   new
ATOM      0  HA  PHE A  22      -2.301  -7.730  -6.190  1.00  0.00           H   new
ATOM      0  HB2 PHE A  22      -2.176  -6.573  -3.399  1.00  0.00           H   new
ATOM      0  HB3 PHE A  22      -0.852  -7.059  -4.440  1.00  0.00           H   new
ATOM      0  HD1 PHE A  22      -3.665  -4.594  -4.323  1.00  0.00           H   new
ATOM      0  HD2 PHE A  22       0.307  -5.423  -5.620  1.00  0.00           H   new
ATOM      0  HE1 PHE A  22      -3.443  -2.281  -5.119  1.00  0.00           H   new
ATOM      0  HE2 PHE A  22       0.532  -3.110  -6.417  1.00  0.00           H   new
ATOM      0  HZ  PHE A  22      -1.342  -1.533  -6.164  1.00  0.00           H   new
ATOM    293  N   ARG A  23      -3.084  -9.831  -5.150  1.00  0.00           N
ATOM    294  CA  ARG A  23      -3.436 -11.101  -4.526  1.00  0.00           C
ATOM    295  C   ARG A  23      -2.931 -11.158  -3.087  1.00  0.00           C
ATOM    296  O   ARG A  23      -3.492 -11.864  -2.249  1.00  0.00           O
ATOM    297  CB  ARG A  23      -2.853 -12.266  -5.328  1.00  0.00           C
ATOM    298  CG  ARG A  23      -1.397 -12.070  -5.717  1.00  0.00           C
ATOM    299  CD  ARG A  23      -0.727 -13.392  -6.056  1.00  0.00           C
ATOM    300  NE  ARG A  23      -0.854 -13.722  -7.474  1.00  0.00           N
ATOM    301  CZ  ARG A  23      -0.164 -14.690  -8.067  1.00  0.00           C
ATOM    302  NH1 ARG A  23       0.696 -15.419  -7.370  1.00  0.00           N
ATOM    303  NH2 ARG A  23      -0.334 -14.929  -9.361  1.00  0.00           N
ATOM      0  H   ARG A  23      -2.749  -9.911  -6.110  1.00  0.00           H   new
ATOM      0  HA  ARG A  23      -4.523 -11.183  -4.515  1.00  0.00           H   new
ATOM      0  HB2 ARG A  23      -2.944 -13.181  -4.742  1.00  0.00           H   new
ATOM      0  HB3 ARG A  23      -3.446 -12.406  -6.232  1.00  0.00           H   new
ATOM      0  HG2 ARG A  23      -1.336 -11.400  -6.574  1.00  0.00           H   new
ATOM      0  HG3 ARG A  23      -0.862 -11.590  -4.898  1.00  0.00           H   new
ATOM      0  HD2 ARG A  23       0.328 -13.343  -5.788  1.00  0.00           H   new
ATOM      0  HD3 ARG A  23      -1.171 -14.187  -5.457  1.00  0.00           H   new
ATOM      0  HE  ARG A  23      -1.508 -13.180  -8.039  1.00  0.00           H   new
ATOM      0 HH11 ARG A  23       0.830 -15.238  -6.375  1.00  0.00           H   new
ATOM      0 HH12 ARG A  23       1.224 -16.161  -7.828  1.00  0.00           H   new
ATOM      0 HH21 ARG A  23      -0.994 -14.369  -9.901  1.00  0.00           H   new
ATOM      0 HH22 ARG A  23       0.196 -15.672  -9.816  1.00  0.00           H   new
ATOM    317  N   VAL A  24      -1.869 -10.409  -2.807  1.00  0.00           N
ATOM    318  CA  VAL A  24      -1.290 -10.373  -1.470  1.00  0.00           C
ATOM    319  C   VAL A  24      -1.560  -9.036  -0.789  1.00  0.00           C
ATOM    320  O   VAL A  24      -1.916  -8.056  -1.443  1.00  0.00           O
ATOM    321  CB  VAL A  24       0.231 -10.618  -1.511  1.00  0.00           C
ATOM    322  CG1 VAL A  24       0.557 -11.808  -2.400  1.00  0.00           C
ATOM    323  CG2 VAL A  24       0.958  -9.370  -1.988  1.00  0.00           C
ATOM      0  H   VAL A  24      -1.392  -9.819  -3.489  1.00  0.00           H   new
ATOM      0  HA  VAL A  24      -1.764 -11.170  -0.898  1.00  0.00           H   new
ATOM      0  HB  VAL A  24       0.572 -10.846  -0.501  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24       1.635 -11.965  -2.416  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24       0.066 -12.699  -2.009  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24       0.203 -11.613  -3.413  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24       2.031  -9.560  -2.011  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24       0.614  -9.109  -2.989  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24       0.750  -8.545  -1.306  1.00  0.00           H   new
ATOM    333  N   SER A  25      -1.387  -9.003   0.528  1.00  0.00           N
ATOM    334  CA  SER A  25      -1.616  -7.787   1.299  1.00  0.00           C
ATOM    335  C   SER A  25      -0.342  -6.953   1.389  1.00  0.00           C
ATOM    336  O   SER A  25      -0.383  -5.725   1.304  1.00  0.00           O
ATOM    337  CB  SER A  25      -2.112  -8.134   2.704  1.00  0.00           C
ATOM    338  OG  SER A  25      -2.238  -6.970   3.502  1.00  0.00           O
ATOM      0  H   SER A  25      -1.089  -9.805   1.084  1.00  0.00           H   new
ATOM      0  HA  SER A  25      -2.379  -7.200   0.787  1.00  0.00           H   new
ATOM      0  HB2 SER A  25      -3.075  -8.640   2.638  1.00  0.00           H   new
ATOM      0  HB3 SER A  25      -1.418  -8.829   3.177  1.00  0.00           H   new
ATOM      0  HG  SER A  25      -2.558  -7.218   4.394  1.00  0.00           H   new
ATOM    344  N   SER A  26       0.790  -7.629   1.560  1.00  0.00           N
ATOM    345  CA  SER A  26       2.077  -6.952   1.665  1.00  0.00           C
ATOM    346  C   SER A  26       2.282  -5.991   0.497  1.00  0.00           C
ATOM    347  O   SER A  26       2.458  -4.788   0.691  1.00  0.00           O
ATOM    348  CB  SER A  26       3.214  -7.974   1.704  1.00  0.00           C
ATOM    349  OG  SER A  26       3.157  -8.844   0.587  1.00  0.00           O
ATOM      0  H   SER A  26       0.842  -8.645   1.629  1.00  0.00           H   new
ATOM      0  HA  SER A  26       2.083  -6.378   2.592  1.00  0.00           H   new
ATOM      0  HB2 SER A  26       4.173  -7.456   1.716  1.00  0.00           H   new
ATOM      0  HB3 SER A  26       3.154  -8.555   2.624  1.00  0.00           H   new
ATOM      0  HG  SER A  26       3.895  -9.486   0.635  1.00  0.00           H   new
ATOM    355  N   HIS A  27       2.258  -6.532  -0.717  1.00  0.00           N
ATOM    356  CA  HIS A  27       2.441  -5.724  -1.917  1.00  0.00           C
ATOM    357  C   HIS A  27       1.466  -4.550  -1.936  1.00  0.00           C
ATOM    358  O   HIS A  27       1.874  -3.392  -2.022  1.00  0.00           O
ATOM    359  CB  HIS A  27       2.249  -6.581  -3.169  1.00  0.00           C
ATOM    360  CG  HIS A  27       3.449  -7.405  -3.520  1.00  0.00           C
ATOM    361  ND1 HIS A  27       3.712  -7.844  -4.801  1.00  0.00           N
ATOM    362  CD2 HIS A  27       4.461  -7.869  -2.750  1.00  0.00           C
ATOM    363  CE1 HIS A  27       4.833  -8.543  -4.803  1.00  0.00           C
ATOM    364  NE2 HIS A  27       5.308  -8.573  -3.571  1.00  0.00           N
ATOM      0  H   HIS A  27       2.114  -7.526  -0.895  1.00  0.00           H   new
ATOM      0  HA  HIS A  27       3.457  -5.330  -1.908  1.00  0.00           H   new
ATOM      0  HB2 HIS A  27       1.396  -7.242  -3.019  1.00  0.00           H   new
ATOM      0  HB3 HIS A  27       2.006  -5.932  -4.010  1.00  0.00           H   new
ATOM      0  HD2 HIS A  27       4.580  -7.714  -1.688  1.00  0.00           H   new
ATOM      0  HE1 HIS A  27       5.284  -9.011  -5.666  1.00  0.00           H   new
ATOM      0  HE2 HIS A  27       6.164  -9.043  -3.277  1.00  0.00           H   new
ATOM    372  N   LEU A  28       0.176  -4.858  -1.856  1.00  0.00           N
ATOM    373  CA  LEU A  28      -0.858  -3.829  -1.864  1.00  0.00           C
ATOM    374  C   LEU A  28      -0.478  -2.667  -0.951  1.00  0.00           C
ATOM    375  O   LEU A  28      -0.705  -1.504  -1.282  1.00  0.00           O
ATOM    376  CB  LEU A  28      -2.198  -4.420  -1.424  1.00  0.00           C
ATOM    377  CG  LEU A  28      -3.261  -3.416  -0.978  1.00  0.00           C
ATOM    378  CD1 LEU A  28      -3.517  -2.389  -2.071  1.00  0.00           C
ATOM    379  CD2 LEU A  28      -4.551  -4.134  -0.607  1.00  0.00           C
ATOM      0  H   LEU A  28      -0.179  -5.812  -1.785  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -0.951  -3.452  -2.882  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -2.603  -5.005  -2.250  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.014  -5.113  -0.603  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.892  -2.894  -0.095  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -4.276  -1.683  -1.736  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -2.594  -1.853  -2.290  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.865  -2.895  -2.972  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -5.296  -3.404  -0.292  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.924  -4.683  -1.472  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.358  -4.830   0.209  1.00  0.00           H   new
ATOM    391  N   VAL A  29       0.104  -2.992   0.200  1.00  0.00           N
ATOM    392  CA  VAL A  29       0.519  -1.976   1.159  1.00  0.00           C
ATOM    393  C   VAL A  29       1.571  -1.050   0.559  1.00  0.00           C
ATOM    394  O   VAL A  29       1.378   0.164   0.497  1.00  0.00           O
ATOM    395  CB  VAL A  29       1.086  -2.614   2.442  1.00  0.00           C
ATOM    396  CG1 VAL A  29       1.610  -1.542   3.385  1.00  0.00           C
ATOM    397  CG2 VAL A  29       0.026  -3.465   3.126  1.00  0.00           C
ATOM      0  H   VAL A  29       0.298  -3.950   0.490  1.00  0.00           H   new
ATOM      0  HA  VAL A  29      -0.370  -1.397   1.411  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       1.919  -3.261   2.168  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       2.006  -2.012   4.285  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       2.402  -0.978   2.891  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       0.798  -0.867   3.655  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       0.443  -3.908   4.030  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29      -0.828  -2.841   3.388  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29      -0.297  -4.256   2.450  1.00  0.00           H   new
ATOM    407  N   GLN A  30       2.682  -1.631   0.118  1.00  0.00           N
ATOM    408  CA  GLN A  30       3.764  -0.857  -0.478  1.00  0.00           C
ATOM    409  C   GLN A  30       3.239   0.047  -1.588  1.00  0.00           C
ATOM    410  O   GLN A  30       3.834   1.081  -1.894  1.00  0.00           O
ATOM    411  CB  GLN A  30       4.843  -1.790  -1.030  1.00  0.00           C
ATOM    412  CG  GLN A  30       5.476  -2.680   0.026  1.00  0.00           C
ATOM    413  CD  GLN A  30       5.866  -1.916   1.277  1.00  0.00           C
ATOM    414  OE1 GLN A  30       4.916  -1.751   2.190  1.00  0.00           O   flip
ATOM    415  NE2 GLN A  30       7.008  -1.479   1.420  1.00  0.00           N   flip
ATOM      0  H   GLN A  30       2.856  -2.635   0.162  1.00  0.00           H   new
ATOM      0  HA  GLN A  30       4.200  -0.230   0.300  1.00  0.00           H   new
ATOM      0  HB2 GLN A  30       4.406  -2.417  -1.807  1.00  0.00           H   new
ATOM      0  HB3 GLN A  30       5.622  -1.192  -1.503  1.00  0.00           H   new
ATOM      0  HG2 GLN A  30       4.778  -3.474   0.293  1.00  0.00           H   new
ATOM      0  HG3 GLN A  30       6.361  -3.161  -0.392  1.00  0.00           H   new
ATOM      0 HE21 GLN A  30       7.706  -1.629   0.692  1.00  0.00           H   new
ATOM      0 HE22 GLN A  30       7.256  -0.967   2.266  1.00  0.00           H   new
ATOM    424  N   HIS A  31       2.121  -0.349  -2.189  1.00  0.00           N
ATOM    425  CA  HIS A  31       1.516   0.426  -3.266  1.00  0.00           C
ATOM    426  C   HIS A  31       0.676   1.570  -2.706  1.00  0.00           C
ATOM    427  O   HIS A  31       0.466   2.584  -3.373  1.00  0.00           O
ATOM    428  CB  HIS A  31       0.650  -0.475  -4.147  1.00  0.00           C
ATOM    429  CG  HIS A  31      -0.498   0.240  -4.790  1.00  0.00           C
ATOM    430  ND1 HIS A  31      -0.356   1.044  -5.902  1.00  0.00           N
ATOM    431  CD2 HIS A  31      -1.813   0.269  -4.473  1.00  0.00           C
ATOM    432  CE1 HIS A  31      -1.534   1.536  -6.239  1.00  0.00           C
ATOM    433  NE2 HIS A  31      -2.436   1.081  -5.388  1.00  0.00           N
ATOM      0  H   HIS A  31       1.616  -1.202  -1.948  1.00  0.00           H   new
ATOM      0  HA  HIS A  31       2.318   0.850  -3.871  1.00  0.00           H   new
ATOM      0  HB2 HIS A  31       1.273  -0.917  -4.924  1.00  0.00           H   new
ATOM      0  HB3 HIS A  31       0.264  -1.296  -3.543  1.00  0.00           H   new
ATOM      0  HD2 HIS A  31      -2.285  -0.250  -3.652  1.00  0.00           H   new
ATOM      0  HE1 HIS A  31      -1.727   2.198  -7.070  1.00  0.00           H   new
ATOM      0  HE2 HIS A  31      -3.433   1.298  -5.408  1.00  0.00           H   new
ATOM    441  N   HIS A  32       0.196   1.400  -1.478  1.00  0.00           N
ATOM    442  CA  HIS A  32      -0.622   2.418  -0.829  1.00  0.00           C
ATOM    443  C   HIS A  32       0.200   3.669  -0.535  1.00  0.00           C
ATOM    444  O   HIS A  32      -0.326   4.669  -0.046  1.00  0.00           O
ATOM    445  CB  HIS A  32      -1.222   1.871   0.467  1.00  0.00           C
ATOM    446  CG  HIS A  32      -2.487   1.097   0.261  1.00  0.00           C
ATOM    447  ND1 HIS A  32      -3.554   1.579  -0.467  1.00  0.00           N
ATOM    448  CD2 HIS A  32      -2.853  -0.133   0.692  1.00  0.00           C
ATOM    449  CE1 HIS A  32      -4.522   0.680  -0.474  1.00  0.00           C
ATOM    450  NE2 HIS A  32      -4.122  -0.369   0.222  1.00  0.00           N
ATOM      0  H   HIS A  32       0.360   0.567  -0.913  1.00  0.00           H   new
ATOM      0  HA  HIS A  32      -1.430   2.687  -1.509  1.00  0.00           H   new
ATOM      0  HB2 HIS A  32      -0.488   1.229   0.955  1.00  0.00           H   new
ATOM      0  HB3 HIS A  32      -1.420   2.701   1.145  1.00  0.00           H   new
ATOM      0  HD2 HIS A  32      -2.258  -0.804   1.294  1.00  0.00           H   new
ATOM      0  HE1 HIS A  32      -5.478   0.785  -0.965  1.00  0.00           H   new
ATOM      0  HE2 HIS A  32      -4.667  -1.216   0.384  1.00  0.00           H   new
ATOM    458  N   SER A  33       1.493   3.605  -0.834  1.00  0.00           N
ATOM    459  CA  SER A  33       2.389   4.731  -0.598  1.00  0.00           C
ATOM    460  C   SER A  33       2.886   5.317  -1.916  1.00  0.00           C
ATOM    461  O   SER A  33       3.735   6.208  -1.932  1.00  0.00           O
ATOM    462  CB  SER A  33       3.579   4.293   0.259  1.00  0.00           C
ATOM    463  OG  SER A  33       3.144   3.677   1.459  1.00  0.00           O
ATOM      0  H   SER A  33       1.944   2.785  -1.240  1.00  0.00           H   new
ATOM      0  HA  SER A  33       1.831   5.501  -0.066  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       4.201   3.598  -0.305  1.00  0.00           H   new
ATOM      0  HB3 SER A  33       4.199   5.158   0.495  1.00  0.00           H   new
ATOM      0  HG  SER A  33       3.923   3.405   1.988  1.00  0.00           H   new
ATOM    469  N   VAL A  34       2.349   4.810  -3.021  1.00  0.00           N
ATOM    470  CA  VAL A  34       2.735   5.283  -4.345  1.00  0.00           C
ATOM    471  C   VAL A  34       1.978   6.552  -4.718  1.00  0.00           C
ATOM    472  O   VAL A  34       2.510   7.427  -5.402  1.00  0.00           O
ATOM    473  CB  VAL A  34       2.479   4.210  -5.421  1.00  0.00           C
ATOM    474  CG1 VAL A  34       3.056   2.871  -4.988  1.00  0.00           C
ATOM    475  CG2 VAL A  34       0.990   4.090  -5.709  1.00  0.00           C
ATOM      0  H   VAL A  34       1.645   4.072  -3.026  1.00  0.00           H   new
ATOM      0  HA  VAL A  34       3.803   5.499  -4.305  1.00  0.00           H   new
ATOM      0  HB  VAL A  34       2.981   4.514  -6.340  1.00  0.00           H   new
ATOM      0 HG11 VAL A  34       2.865   2.126  -5.760  1.00  0.00           H   new
ATOM      0 HG12 VAL A  34       4.131   2.970  -4.836  1.00  0.00           H   new
ATOM      0 HG13 VAL A  34       2.586   2.556  -4.056  1.00  0.00           H   new
ATOM      0 HG21 VAL A  34       0.827   3.328  -6.471  1.00  0.00           H   new
ATOM      0 HG22 VAL A  34       0.464   3.809  -4.796  1.00  0.00           H   new
ATOM      0 HG23 VAL A  34       0.610   5.047  -6.066  1.00  0.00           H   new
ATOM    485  N   HIS A  35       0.732   6.646  -4.264  1.00  0.00           N
ATOM    486  CA  HIS A  35      -0.100   7.810  -4.550  1.00  0.00           C
ATOM    487  C   HIS A  35       0.355   9.016  -3.733  1.00  0.00           C
ATOM    488  O   HIS A  35       0.444  10.130  -4.249  1.00  0.00           O
ATOM    489  CB  HIS A  35      -1.567   7.501  -4.251  1.00  0.00           C
ATOM    490  CG  HIS A  35      -2.014   6.166  -4.762  1.00  0.00           C
ATOM    491  ND1 HIS A  35      -1.955   5.812  -6.093  1.00  0.00           N
ATOM    492  CD2 HIS A  35      -2.528   5.096  -4.112  1.00  0.00           C
ATOM    493  CE1 HIS A  35      -2.415   4.582  -6.240  1.00  0.00           C
ATOM    494  NE2 HIS A  35      -2.768   4.125  -5.053  1.00  0.00           N
ATOM      0  H   HIS A  35       0.276   5.931  -3.697  1.00  0.00           H   new
ATOM      0  HA  HIS A  35       0.004   8.049  -5.608  1.00  0.00           H   new
ATOM      0  HB2 HIS A  35      -1.726   7.540  -3.173  1.00  0.00           H   new
ATOM      0  HB3 HIS A  35      -2.191   8.278  -4.693  1.00  0.00           H   new
ATOM      0  HD2 HIS A  35      -2.715   5.020  -3.051  1.00  0.00           H   new
ATOM      0  HE1 HIS A  35      -2.489   4.042  -7.173  1.00  0.00           H   new
ATOM      0  HE2 HIS A  35      -3.156   3.201  -4.865  1.00  0.00           H   new