USER  MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=2
USER  MOD reduce.3.24.130724 removed 194 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   3 SER OG  :   rot  180:sc= -0.0154
USER  MOD Single : A   5 HIS     :     no HD1:sc= -0.0301  X(o=-0.03,f=-0.22)
USER  MOD Single : A   6 GLN     :      amide:sc=  -0.805  X(o=-0.8,f=-0.44)
USER  MOD Single : A   9 HIS     :     no HD1:sc=   -1.16! C(o=-1.2!,f=-1.1!)
USER  MOD Single : A  11 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  13 LYS NZ  :NH3+    149:sc=  -0.202   (180deg=-0.938)
USER  MOD Single : A  25 HIS     :     no HD1:sc=  -0.709  X(o=-0.71,f=-0.45)
USER  MOD Single : A  26 HIS     :     no HD1:sc=  -0.492  X(o=-0.49,f=-0.73)
USER  MOD -----------------------------------------------------------------
ATOM     13  N   VAL A   2      -2.998  -4.093  18.401  1.00  0.00           N
ATOM     14  CA  VAL A   2      -2.701  -4.035  16.944  1.00  0.00           C
ATOM     15  C   VAL A   2      -2.600  -2.577  16.494  1.00  0.00           C
ATOM     16  O   VAL A   2      -3.058  -1.677  17.170  1.00  0.00           O
ATOM     17  CB  VAL A   2      -3.814  -4.725  16.176  1.00  0.00           C
ATOM     18  CG1 VAL A   2      -3.448  -4.790  14.691  1.00  0.00           C
ATOM     19  CG2 VAL A   2      -4.011  -6.140  16.720  1.00  0.00           C
ATOM      0  HA  VAL A   2      -1.754  -4.538  16.748  1.00  0.00           H   new
ATOM      0  HB  VAL A   2      -4.739  -4.161  16.295  1.00  0.00           H   new
ATOM      0 HG11 VAL A   2      -4.248  -5.286  14.141  1.00  0.00           H   new
ATOM      0 HG12 VAL A   2      -3.314  -3.780  14.305  1.00  0.00           H   new
ATOM      0 HG13 VAL A   2      -2.522  -5.351  14.569  1.00  0.00           H   new
ATOM      0 HG21 VAL A   2      -4.810  -6.634  16.168  1.00  0.00           H   new
ATOM      0 HG22 VAL A   2      -3.087  -6.706  16.605  1.00  0.00           H   new
ATOM      0 HG23 VAL A   2      -4.277  -6.090  17.776  1.00  0.00           H   new
ATOM     29  N   SER A   3      -2.004  -2.336  15.360  1.00  0.00           N
ATOM     30  CA  SER A   3      -1.881  -0.935  14.873  1.00  0.00           C
ATOM     31  C   SER A   3      -3.230  -0.231  15.028  1.00  0.00           C
ATOM     32  O   SER A   3      -4.222  -0.638  14.456  1.00  0.00           O
ATOM     33  CB  SER A   3      -1.460  -0.940  13.398  1.00  0.00           C
ATOM     34  OG  SER A   3      -2.388  -0.180  12.632  1.00  0.00           O
ATOM      0  H   SER A   3      -1.598  -3.047  14.751  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -1.127  -0.406  15.455  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -0.459  -0.521  13.294  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.418  -1.963  13.025  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -2.116  -0.184  11.691  1.00  0.00           H   new
ATOM     40  N   GLU A   4      -3.276   0.821  15.797  1.00  0.00           N
ATOM     41  CA  GLU A   4      -4.562   1.550  15.989  1.00  0.00           C
ATOM     42  C   GLU A   4      -5.145   1.921  14.628  1.00  0.00           C
ATOM     43  O   GLU A   4      -6.329   1.787  14.389  1.00  0.00           O
ATOM     44  CB  GLU A   4      -4.308   2.829  16.787  1.00  0.00           C
ATOM     45  CG  GLU A   4      -5.626   3.575  16.993  1.00  0.00           C
ATOM     46  CD  GLU A   4      -5.758   4.678  15.944  1.00  0.00           C
ATOM     47  OE1 GLU A   4      -4.746   5.046  15.370  1.00  0.00           O
ATOM     48  OE2 GLU A   4      -6.867   5.139  15.731  1.00  0.00           O
ATOM      0  H   GLU A   4      -2.478   1.208  16.301  1.00  0.00           H   new
ATOM      0  HA  GLU A   4      -5.262   0.911  16.528  1.00  0.00           H   new
ATOM      0  HB2 GLU A   4      -3.862   2.585  17.751  1.00  0.00           H   new
ATOM      0  HB3 GLU A   4      -3.598   3.464  16.258  1.00  0.00           H   new
ATOM      0  HG2 GLU A   4      -6.464   2.882  16.915  1.00  0.00           H   new
ATOM      0  HG3 GLU A   4      -5.660   4.005  17.994  1.00  0.00           H   new
ATOM     55  N   HIS A   5      -4.322   2.395  13.736  1.00  0.00           N
ATOM     56  CA  HIS A   5      -4.824   2.787  12.395  1.00  0.00           C
ATOM     57  C   HIS A   5      -5.759   1.718  11.847  1.00  0.00           C
ATOM     58  O   HIS A   5      -6.585   1.997  11.003  1.00  0.00           O
ATOM     59  CB  HIS A   5      -3.654   2.976  11.441  1.00  0.00           C
ATOM     60  CG  HIS A   5      -3.769   4.310  10.760  1.00  0.00           C
ATOM     61  ND1 HIS A   5      -4.769   4.591   9.843  1.00  0.00           N
ATOM     62  CD2 HIS A   5      -3.013   5.449  10.852  1.00  0.00           C
ATOM     63  CE1 HIS A   5      -4.588   5.856   9.423  1.00  0.00           C
ATOM     64  NE2 HIS A   5      -3.531   6.426  10.007  1.00  0.00           N
ATOM      0  H   HIS A   5      -3.321   2.527  13.880  1.00  0.00           H   new
ATOM      0  HA  HIS A   5      -5.373   3.724  12.488  1.00  0.00           H   new
ATOM      0  HB2 HIS A   5      -2.713   2.915  11.987  1.00  0.00           H   new
ATOM      0  HB3 HIS A   5      -3.644   2.177  10.699  1.00  0.00           H   new
ATOM      0  HD2 HIS A   5      -2.146   5.570  11.485  1.00  0.00           H   new
ATOM      0  HE1 HIS A   5      -5.221   6.351   8.701  1.00  0.00           H   new
ATOM      0  HE2 HIS A   5      -3.179   7.373   9.865  1.00  0.00           H   new
ATOM     72  N   GLN A   6      -5.653   0.502  12.311  1.00  0.00           N
ATOM     73  CA  GLN A   6      -6.568  -0.545  11.797  1.00  0.00           C
ATOM     74  C   GLN A   6      -7.988   0.017  11.825  1.00  0.00           C
ATOM     75  O   GLN A   6      -8.218   1.097  12.331  1.00  0.00           O
ATOM     76  CB  GLN A   6      -6.477  -1.789  12.668  1.00  0.00           C
ATOM     77  CG  GLN A   6      -5.626  -2.846  11.960  1.00  0.00           C
ATOM     78  CD  GLN A   6      -6.350  -3.333  10.704  1.00  0.00           C
ATOM     79  OE1 GLN A   6      -7.242  -4.154  10.783  1.00  0.00           O
ATOM     80  NE2 GLN A   6      -6.002  -2.858   9.540  1.00  0.00           N
ATOM      0  H   GLN A   6      -4.981   0.195  13.014  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -6.294  -0.823  10.779  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6      -6.037  -1.539  13.633  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -7.474  -2.182  12.865  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6      -4.656  -2.427  11.693  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6      -5.437  -3.684  12.631  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -5.253  -2.169   9.474  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6      -6.479  -3.176   8.696  1.00  0.00           H   new
ATOM     89  N   LEU A   7      -8.940  -0.666  11.269  1.00  0.00           N
ATOM     90  CA  LEU A   7     -10.312  -0.096  11.256  1.00  0.00           C
ATOM     91  C   LEU A   7     -10.276   1.092  10.302  1.00  0.00           C
ATOM     92  O   LEU A   7     -10.787   1.025   9.202  1.00  0.00           O
ATOM     93  CB  LEU A   7     -10.705   0.365  12.662  1.00  0.00           C
ATOM     94  CG  LEU A   7     -12.062  -0.230  13.036  1.00  0.00           C
ATOM     95  CD1 LEU A   7     -11.953  -0.944  14.385  1.00  0.00           C
ATOM     96  CD2 LEU A   7     -13.098   0.892  13.139  1.00  0.00           C
ATOM      0  H   LEU A   7      -8.834  -1.580  10.829  1.00  0.00           H   new
ATOM      0  HA  LEU A   7     -11.045  -0.836  10.936  1.00  0.00           H   new
ATOM      0  HB2 LEU A   7      -9.949   0.053  13.383  1.00  0.00           H   new
ATOM      0  HB3 LEU A   7     -10.751   1.453  12.699  1.00  0.00           H   new
ATOM      0  HG  LEU A   7     -12.369  -0.943  12.271  1.00  0.00           H   new
ATOM      0 HD11 LEU A   7     -12.921  -1.368  14.651  1.00  0.00           H   new
ATOM      0 HD12 LEU A   7     -11.214  -1.742  14.316  1.00  0.00           H   new
ATOM      0 HD13 LEU A   7     -11.646  -0.231  15.150  1.00  0.00           H   new
ATOM      0 HD21 LEU A   7     -14.067   0.469  13.406  1.00  0.00           H   new
ATOM      0 HD22 LEU A   7     -12.789   1.603  13.905  1.00  0.00           H   new
ATOM      0 HD23 LEU A   7     -13.177   1.403  12.180  1.00  0.00           H   new
ATOM    108  N   LEU A   8      -9.617   2.162  10.675  1.00  0.00           N
ATOM    109  CA  LEU A   8      -9.500   3.281   9.755  1.00  0.00           C
ATOM    110  C   LEU A   8      -8.662   2.764   8.595  1.00  0.00           C
ATOM    111  O   LEU A   8      -8.816   3.155   7.454  1.00  0.00           O
ATOM    112  CB  LEU A   8      -8.789   4.418  10.467  1.00  0.00           C
ATOM    113  CG  LEU A   8      -8.223   5.383   9.437  1.00  0.00           C
ATOM    114  CD1 LEU A   8      -9.315   5.710   8.425  1.00  0.00           C
ATOM    115  CD2 LEU A   8      -7.762   6.664  10.130  1.00  0.00           C
ATOM      0  H   LEU A   8      -9.164   2.287  11.580  1.00  0.00           H   new
ATOM      0  HA  LEU A   8     -10.464   3.652   9.406  1.00  0.00           H   new
ATOM      0  HB2 LEU A   8      -9.483   4.939  11.127  1.00  0.00           H   new
ATOM      0  HB3 LEU A   8      -7.988   4.025  11.093  1.00  0.00           H   new
ATOM      0  HG  LEU A   8      -7.371   4.930   8.931  1.00  0.00           H   new
ATOM      0 HD11 LEU A   8      -8.924   6.402   7.679  1.00  0.00           H   new
ATOM      0 HD12 LEU A   8      -9.642   4.794   7.934  1.00  0.00           H   new
ATOM      0 HD13 LEU A   8     -10.161   6.169   8.938  1.00  0.00           H   new
ATOM      0 HD21 LEU A   8      -7.357   7.353   9.389  1.00  0.00           H   new
ATOM      0 HD22 LEU A   8      -8.609   7.130  10.634  1.00  0.00           H   new
ATOM      0 HD23 LEU A   8      -6.991   6.424  10.862  1.00  0.00           H   new
ATOM    127  N   HIS A   9      -7.773   1.859   8.912  1.00  0.00           N
ATOM    128  CA  HIS A   9      -6.896   1.253   7.905  1.00  0.00           C
ATOM    129  C   HIS A   9      -7.464  -0.103   7.473  1.00  0.00           C
ATOM    130  O   HIS A   9      -6.737  -1.061   7.309  1.00  0.00           O
ATOM    131  CB  HIS A   9      -5.513   1.071   8.521  1.00  0.00           C
ATOM    132  CG  HIS A   9      -4.643   0.349   7.563  1.00  0.00           C
ATOM    133  ND1 HIS A   9      -3.786  -0.678   7.919  1.00  0.00           N
ATOM    134  CD2 HIS A   9      -4.498   0.526   6.239  1.00  0.00           C
ATOM    135  CE1 HIS A   9      -3.159  -1.077   6.796  1.00  0.00           C
ATOM    136  NE2 HIS A   9      -3.561  -0.370   5.734  1.00  0.00           N
ATOM      0  H   HIS A   9      -7.626   1.514   9.861  1.00  0.00           H   new
ATOM      0  HA  HIS A   9      -6.829   1.895   7.027  1.00  0.00           H   new
ATOM      0  HB2 HIS A   9      -5.080   2.041   8.764  1.00  0.00           H   new
ATOM      0  HB3 HIS A   9      -5.588   0.513   9.454  1.00  0.00           H   new
ATOM      0  HD2 HIS A   9      -5.032   1.258   5.651  1.00  0.00           H   new
ATOM      0  HE1 HIS A   9      -2.424  -1.868   6.758  1.00  0.00           H   new
ATOM      0  HE2 HIS A   9      -3.249  -0.466   4.768  1.00  0.00           H   new
ATOM    144  N   ASP A  10      -8.760  -0.178   7.296  1.00  0.00           N
ATOM    145  CA  ASP A  10      -9.413  -1.455   6.869  1.00  0.00           C
ATOM    146  C   ASP A  10      -8.458  -2.286   6.010  1.00  0.00           C
ATOM    147  O   ASP A  10      -7.644  -1.757   5.280  1.00  0.00           O
ATOM    148  CB  ASP A  10     -10.647  -1.113   6.037  1.00  0.00           C
ATOM    149  CG  ASP A  10     -11.194  -2.381   5.381  1.00  0.00           C
ATOM    150  OD1 ASP A  10     -11.269  -3.392   6.060  1.00  0.00           O
ATOM    151  OD2 ASP A  10     -11.530  -2.321   4.210  1.00  0.00           O
ATOM      0  H   ASP A  10      -9.402   0.603   7.431  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      -9.685  -2.031   7.754  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10     -11.411  -0.661   6.670  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10     -10.391  -0.379   5.273  1.00  0.00           H   new
ATOM    156  N   LYS A  11      -8.550  -3.587   6.088  1.00  0.00           N
ATOM    157  CA  LYS A  11      -7.652  -4.443   5.280  1.00  0.00           C
ATOM    158  C   LYS A  11      -8.251  -4.661   3.886  1.00  0.00           C
ATOM    159  O   LYS A  11      -8.045  -5.687   3.267  1.00  0.00           O
ATOM    160  CB  LYS A  11      -7.466  -5.793   5.975  1.00  0.00           C
ATOM    161  CG  LYS A  11      -6.073  -5.853   6.603  1.00  0.00           C
ATOM    162  CD  LYS A  11      -5.016  -5.914   5.498  1.00  0.00           C
ATOM    163  CE  LYS A  11      -3.986  -6.990   5.840  1.00  0.00           C
ATOM    164  NZ  LYS A  11      -2.921  -7.013   4.797  1.00  0.00           N
ATOM      0  H   LYS A  11      -9.212  -4.089   6.680  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      -6.685  -3.950   5.180  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      -8.229  -5.928   6.742  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      -7.589  -6.604   5.257  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      -5.908  -4.977   7.231  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      -5.991  -6.728   7.248  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      -5.487  -6.137   4.541  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      -4.526  -4.946   5.394  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      -3.547  -6.790   6.818  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      -4.470  -7.965   5.901  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      -2.221  -7.746   5.032  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      -3.346  -7.224   3.871  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      -2.452  -6.086   4.759  1.00  0.00           H   new
ATOM    178  N   GLY A  12      -8.985  -3.705   3.386  1.00  0.00           N
ATOM    179  CA  GLY A  12      -9.592  -3.853   2.033  1.00  0.00           C
ATOM    180  C   GLY A  12      -9.445  -2.534   1.271  1.00  0.00           C
ATOM    181  O   GLY A  12     -10.046  -2.333   0.234  1.00  0.00           O
ATOM      0  H   GLY A  12      -9.191  -2.825   3.858  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      -9.102  -4.659   1.487  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12     -10.645  -4.121   2.121  1.00  0.00           H   new
ATOM    185  N   LYS A  13      -8.658  -1.628   1.787  1.00  0.00           N
ATOM    186  CA  LYS A  13      -8.476  -0.318   1.114  1.00  0.00           C
ATOM    187  C   LYS A  13      -7.039  -0.128   0.715  1.00  0.00           C
ATOM    188  O   LYS A  13      -6.142  -0.249   1.526  1.00  0.00           O
ATOM    189  CB  LYS A  13      -8.852   0.789   2.063  1.00  0.00           C
ATOM    190  CG  LYS A  13     -10.160   0.431   2.765  1.00  0.00           C
ATOM    191  CD  LYS A  13     -11.221   0.119   1.708  1.00  0.00           C
ATOM    192  CE  LYS A  13     -12.615   0.287   2.315  1.00  0.00           C
ATOM    193  NZ  LYS A  13     -12.839   1.719   2.668  1.00  0.00           N
ATOM      0  H   LYS A  13      -8.131  -1.744   2.653  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -9.109  -0.295   0.227  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13      -8.061   0.938   2.798  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13      -8.963   1.727   1.519  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13     -10.014  -0.430   3.418  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13     -10.488   1.258   3.396  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13     -11.103   0.784   0.853  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13     -11.094  -0.899   1.340  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13     -13.373  -0.046   1.607  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13     -12.713  -0.337   3.204  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13     -13.849   1.946   2.573  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13     -12.537   1.886   3.649  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13     -12.287   2.325   2.028  1.00  0.00           H   new
ATOM    254  N   ASP A  17      -3.455  -2.062  -3.054  1.00  0.00           N
ATOM    255  CA  ASP A  17      -2.772  -0.918  -3.691  1.00  0.00           C
ATOM    256  C   ASP A  17      -1.543  -0.576  -2.857  1.00  0.00           C
ATOM    257  O   ASP A  17      -0.499  -0.259  -3.390  1.00  0.00           O
ATOM    258  CB  ASP A  17      -3.721   0.284  -3.750  1.00  0.00           C
ATOM    259  CG  ASP A  17      -3.387   1.140  -4.972  1.00  0.00           C
ATOM    260  OD1 ASP A  17      -2.335   1.757  -4.970  1.00  0.00           O
ATOM    261  OD2 ASP A  17      -4.190   1.165  -5.889  1.00  0.00           O
ATOM      0  HA  ASP A  17      -2.474  -1.171  -4.708  1.00  0.00           H   new
ATOM      0  HB2 ASP A  17      -4.755  -0.058  -3.804  1.00  0.00           H   new
ATOM      0  HB3 ASP A  17      -3.629   0.878  -2.841  1.00  0.00           H   new
ATOM    266  N   LEU A  18      -1.626  -0.682  -1.551  1.00  0.00           N
ATOM    267  CA  LEU A  18      -0.418  -0.405  -0.737  1.00  0.00           C
ATOM    268  C   LEU A  18       0.659  -1.305  -1.308  1.00  0.00           C
ATOM    269  O   LEU A  18       1.824  -0.968  -1.386  1.00  0.00           O
ATOM    270  CB  LEU A  18      -0.670  -0.765   0.730  1.00  0.00           C
ATOM    271  CG  LEU A  18      -0.769   0.506   1.579  1.00  0.00           C
ATOM    272  CD1 LEU A  18      -0.682   0.131   3.058  1.00  0.00           C
ATOM    273  CD2 LEU A  18       0.382   1.453   1.233  1.00  0.00           C
ATOM      0  H   LEU A  18      -2.463  -0.943  -1.030  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -0.140   0.648  -0.770  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -1.591  -1.342   0.817  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18       0.138  -1.396   1.101  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -1.718   1.002   1.375  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18      -0.752   1.033   3.667  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18      -1.501  -0.542   3.311  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18       0.269  -0.365   3.252  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18       0.306   2.355   1.840  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18       1.333   0.959   1.434  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18       0.328   1.720   0.178  1.00  0.00           H   new
ATOM    285  N   ARG A  19       0.229  -2.450  -1.752  1.00  0.00           N
ATOM    286  CA  ARG A  19       1.138  -3.426  -2.379  1.00  0.00           C
ATOM    287  C   ARG A  19       1.824  -2.746  -3.558  1.00  0.00           C
ATOM    288  O   ARG A  19       3.002  -2.919  -3.787  1.00  0.00           O
ATOM    289  CB  ARG A  19       0.274  -4.605  -2.856  1.00  0.00           C
ATOM    290  CG  ARG A  19       0.831  -5.216  -4.147  1.00  0.00           C
ATOM    291  CD  ARG A  19      -0.163  -6.243  -4.694  1.00  0.00           C
ATOM    292  NE  ARG A  19      -0.878  -6.898  -3.564  1.00  0.00           N
ATOM    293  CZ  ARG A  19      -0.463  -8.048  -3.108  1.00  0.00           C
ATOM    294  NH1 ARG A  19       0.754  -8.167  -2.652  1.00  0.00           N
ATOM    295  NH2 ARG A  19      -1.262  -9.080  -3.112  1.00  0.00           N
ATOM      0  H   ARG A  19      -0.744  -2.752  -1.702  1.00  0.00           H   new
ATOM      0  HA  ARG A  19       1.902  -3.784  -1.689  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       0.234  -5.367  -2.078  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      -0.748  -4.266  -3.023  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19       1.007  -4.434  -4.886  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19       1.792  -5.692  -3.952  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -0.878  -5.755  -5.356  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19       0.362  -6.991  -5.288  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      -1.692  -6.448  -3.146  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19       1.380  -7.362  -2.652  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19       1.079  -9.065  -2.295  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      -2.212  -8.988  -3.472  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19      -0.936  -9.978  -2.755  1.00  0.00           H   new
ATOM    309  N   ARG A  20       1.091  -1.975  -4.307  1.00  0.00           N
ATOM    310  CA  ARG A  20       1.702  -1.288  -5.463  1.00  0.00           C
ATOM    311  C   ARG A  20       2.353   0.004  -4.971  1.00  0.00           C
ATOM    312  O   ARG A  20       3.324   0.480  -5.520  1.00  0.00           O
ATOM    313  CB  ARG A  20       0.626  -1.056  -6.525  1.00  0.00           C
ATOM    314  CG  ARG A  20       0.106   0.382  -6.499  1.00  0.00           C
ATOM    315  CD  ARG A  20       0.835   1.181  -7.577  1.00  0.00           C
ATOM    316  NE  ARG A  20      -0.108   1.477  -8.687  1.00  0.00           N
ATOM    317  CZ  ARG A  20       0.276   2.220  -9.689  1.00  0.00           C
ATOM    318  NH1 ARG A  20       1.163   3.159  -9.502  1.00  0.00           N
ATOM    319  NH2 ARG A  20      -0.226   2.024 -10.877  1.00  0.00           N
ATOM      0  H   ARG A  20       0.097  -1.794  -4.165  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       2.484  -1.890  -5.927  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       1.034  -1.278  -7.511  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20      -0.202  -1.745  -6.361  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20      -0.969   0.399  -6.677  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       0.274   0.828  -5.519  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20       1.225   2.109  -7.158  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20       1.689   0.616  -7.950  1.00  0.00           H   new
ATOM      0  HE  ARG A  20      -1.055   1.099  -8.666  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       1.556   3.312  -8.573  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20       1.463   3.740 -10.285  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20      -0.919   1.290 -11.023  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20       0.074   2.605 -11.660  1.00  0.00           H   new
ATOM    333  N   ARG A  21       1.873   0.545  -3.893  1.00  0.00           N
ATOM    334  CA  ARG A  21       2.543   1.744  -3.345  1.00  0.00           C
ATOM    335  C   ARG A  21       3.911   1.253  -2.901  1.00  0.00           C
ATOM    336  O   ARG A  21       4.899   1.960  -2.938  1.00  0.00           O
ATOM    337  CB  ARG A  21       1.749   2.291  -2.157  1.00  0.00           C
ATOM    338  CG  ARG A  21       0.754   3.345  -2.645  1.00  0.00           C
ATOM    339  CD  ARG A  21      -0.419   2.659  -3.348  1.00  0.00           C
ATOM    340  NE  ARG A  21      -1.487   2.356  -2.352  1.00  0.00           N
ATOM    341  CZ  ARG A  21      -2.458   3.207  -2.164  1.00  0.00           C
ATOM    342  NH1 ARG A  21      -3.146   3.646  -3.183  1.00  0.00           N
ATOM    343  NH2 ARG A  21      -2.740   3.621  -0.959  1.00  0.00           N
ATOM      0  H   ARG A  21       1.059   0.214  -3.376  1.00  0.00           H   new
ATOM      0  HA  ARG A  21       2.618   2.553  -4.072  1.00  0.00           H   new
ATOM      0  HB2 ARG A  21       1.219   1.480  -1.657  1.00  0.00           H   new
ATOM      0  HB3 ARG A  21       2.427   2.728  -1.424  1.00  0.00           H   new
ATOM      0  HG2 ARG A  21       0.392   3.935  -1.803  1.00  0.00           H   new
ATOM      0  HG3 ARG A  21       1.247   4.036  -3.329  1.00  0.00           H   new
ATOM      0  HD2 ARG A  21      -0.812   3.303  -4.135  1.00  0.00           H   new
ATOM      0  HD3 ARG A  21      -0.082   1.740  -3.827  1.00  0.00           H   new
ATOM      0  HE  ARG A  21      -1.458   1.486  -1.820  1.00  0.00           H   new
ATOM      0 HH11 ARG A  21      -2.924   3.324  -4.125  1.00  0.00           H   new
ATOM      0 HH12 ARG A  21      -3.905   4.311  -3.037  1.00  0.00           H   new
ATOM      0 HH21 ARG A  21      -2.201   3.279  -0.163  1.00  0.00           H   new
ATOM      0 HH22 ARG A  21      -3.499   4.286  -0.813  1.00  0.00           H   new
ATOM    357  N   PHE A  22       3.962   0.001  -2.525  1.00  0.00           N
ATOM    358  CA  PHE A  22       5.240  -0.618  -2.121  1.00  0.00           C
ATOM    359  C   PHE A  22       5.826  -1.345  -3.329  1.00  0.00           C
ATOM    360  O   PHE A  22       7.002  -1.617  -3.382  1.00  0.00           O
ATOM    361  CB  PHE A  22       4.984  -1.604  -1.007  1.00  0.00           C
ATOM    362  CG  PHE A  22       4.288  -0.873   0.077  1.00  0.00           C
ATOM    363  CD1 PHE A  22       4.708   0.414   0.410  1.00  0.00           C
ATOM    364  CD2 PHE A  22       3.198  -1.455   0.718  1.00  0.00           C
ATOM    365  CE1 PHE A  22       4.042   1.120   1.393  1.00  0.00           C
ATOM    366  CE2 PHE A  22       2.525  -0.743   1.699  1.00  0.00           C
ATOM    367  CZ  PHE A  22       2.950   0.542   2.031  1.00  0.00           C
ATOM      0  H   PHE A  22       3.154  -0.620  -2.483  1.00  0.00           H   new
ATOM      0  HA  PHE A  22       5.938   0.143  -1.771  1.00  0.00           H   new
ATOM      0  HB2 PHE A  22       4.375  -2.435  -1.362  1.00  0.00           H   new
ATOM      0  HB3 PHE A  22       5.921  -2.027  -0.645  1.00  0.00           H   new
ATOM      0  HD1 PHE A  22       5.551   0.857  -0.099  1.00  0.00           H   new
ATOM      0  HD2 PHE A  22       2.879  -2.452   0.453  1.00  0.00           H   new
ATOM      0  HE1 PHE A  22       4.367   2.114   1.664  1.00  0.00           H   new
ATOM      0  HE2 PHE A  22       1.676  -1.182   2.203  1.00  0.00           H   new
ATOM      0  HZ  PHE A  22       2.424   1.096   2.794  1.00  0.00           H   new
ATOM    377  N   PHE A  23       4.982  -1.668  -4.288  1.00  0.00           N
ATOM    378  CA  PHE A  23       5.428  -2.399  -5.526  1.00  0.00           C
ATOM    379  C   PHE A  23       6.915  -2.166  -5.779  1.00  0.00           C
ATOM    380  O   PHE A  23       7.729  -3.059  -5.650  1.00  0.00           O
ATOM    381  CB  PHE A  23       4.663  -1.880  -6.745  1.00  0.00           C
ATOM    382  CG  PHE A  23       3.844  -2.957  -7.367  1.00  0.00           C
ATOM    383  CD1 PHE A  23       3.294  -3.973  -6.584  1.00  0.00           C
ATOM    384  CD2 PHE A  23       3.609  -2.909  -8.738  1.00  0.00           C
ATOM    385  CE1 PHE A  23       2.506  -4.945  -7.183  1.00  0.00           C
ATOM    386  CE2 PHE A  23       2.828  -3.884  -9.338  1.00  0.00           C
ATOM    387  CZ  PHE A  23       2.276  -4.896  -8.559  1.00  0.00           C
ATOM      0  H   PHE A  23       3.985  -1.452  -4.264  1.00  0.00           H   new
ATOM      0  HA  PHE A  23       5.235  -3.461  -5.374  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23       4.017  -1.054  -6.447  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23       5.367  -1.486  -7.478  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23       3.480  -4.002  -5.521  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23       4.034  -2.114  -9.333  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23       2.073  -5.735  -6.588  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23       2.649  -3.858 -10.403  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23       1.662  -5.653  -9.025  1.00  0.00           H   new
ATOM    397  N   LEU A  24       7.272  -0.963  -6.139  1.00  0.00           N
ATOM    398  CA  LEU A  24       8.701  -0.657  -6.404  1.00  0.00           C
ATOM    399  C   LEU A  24       9.452  -0.546  -5.077  1.00  0.00           C
ATOM    400  O   LEU A  24      10.592  -0.948  -4.967  1.00  0.00           O
ATOM    401  CB  LEU A  24       8.822   0.673  -7.162  1.00  0.00           C
ATOM    402  CG  LEU A  24       8.050   0.617  -8.489  1.00  0.00           C
ATOM    403  CD1 LEU A  24       8.167  -0.776  -9.116  1.00  0.00           C
ATOM    404  CD2 LEU A  24       6.576   0.941  -8.236  1.00  0.00           C
ATOM      0  H   LEU A  24       6.631  -0.179  -6.261  1.00  0.00           H   new
ATOM      0  HA  LEU A  24       9.129  -1.457  -7.008  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24       8.436   1.485  -6.545  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24       9.872   0.892  -7.356  1.00  0.00           H   new
ATOM      0  HG  LEU A  24       8.476   1.349  -9.175  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24       7.615  -0.800 -10.055  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24       9.216  -1.003  -9.306  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24       7.753  -1.518  -8.433  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24       6.028   0.901  -9.177  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24       6.157   0.213  -7.541  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24       6.491   1.940  -7.809  1.00  0.00           H   new
ATOM    416  N   HIS A  25       8.831   0.005  -4.067  1.00  0.00           N
ATOM    417  CA  HIS A  25       9.538   0.142  -2.760  1.00  0.00           C
ATOM    418  C   HIS A  25       9.788  -1.239  -2.145  1.00  0.00           C
ATOM    419  O   HIS A  25      10.534  -1.380  -1.196  1.00  0.00           O
ATOM    420  CB  HIS A  25       8.689   0.981  -1.805  1.00  0.00           C
ATOM    421  CG  HIS A  25       9.376   2.296  -1.559  1.00  0.00           C
ATOM    422  ND1 HIS A  25       8.932   3.198  -0.606  1.00  0.00           N
ATOM    423  CD2 HIS A  25      10.479   2.873  -2.137  1.00  0.00           C
ATOM    424  CE1 HIS A  25       9.758   4.261  -0.638  1.00  0.00           C
ATOM    425  NE2 HIS A  25      10.719   4.113  -1.555  1.00  0.00           N
ATOM      0  H   HIS A  25       7.876   0.362  -4.089  1.00  0.00           H   new
ATOM      0  HA  HIS A  25      10.496   0.634  -2.926  1.00  0.00           H   new
ATOM      0  HB2 HIS A  25       7.699   1.148  -2.230  1.00  0.00           H   new
ATOM      0  HB3 HIS A  25       8.546   0.450  -0.864  1.00  0.00           H   new
ATOM      0  HD2 HIS A  25      11.071   2.431  -2.925  1.00  0.00           H   new
ATOM      0  HE1 HIS A  25       9.656   5.127  -0.001  1.00  0.00           H   new
ATOM      0  HE2 HIS A  25      11.467   4.769  -1.780  1.00  0.00           H   new
ATOM    433  N   HIS A  26       9.162  -2.259  -2.666  1.00  0.00           N
ATOM    434  CA  HIS A  26       9.349  -3.616  -2.106  1.00  0.00           C
ATOM    435  C   HIS A  26      10.566  -4.301  -2.730  1.00  0.00           C
ATOM    436  O   HIS A  26      11.559  -4.548  -2.073  1.00  0.00           O
ATOM    437  CB  HIS A  26       8.112  -4.445  -2.391  1.00  0.00           C
ATOM    438  CG  HIS A  26       7.756  -5.219  -1.159  1.00  0.00           C
ATOM    439  ND1 HIS A  26       7.930  -4.695   0.109  1.00  0.00           N
ATOM    440  CD2 HIS A  26       7.258  -6.482  -0.983  1.00  0.00           C
ATOM    441  CE1 HIS A  26       7.546  -5.632   0.989  1.00  0.00           C
ATOM    442  NE2 HIS A  26       7.123  -6.745   0.378  1.00  0.00           N
ATOM      0  H   HIS A  26       8.526  -2.204  -3.461  1.00  0.00           H   new
ATOM      0  HA  HIS A  26       9.511  -3.530  -1.031  1.00  0.00           H   new
ATOM      0  HB2 HIS A  26       7.284  -3.799  -2.684  1.00  0.00           H   new
ATOM      0  HB3 HIS A  26       8.296  -5.124  -3.223  1.00  0.00           H   new
ATOM      0  HD2 HIS A  26       7.008  -7.169  -1.778  1.00  0.00           H   new
ATOM      0  HE1 HIS A  26       7.575  -5.504   2.061  1.00  0.00           H   new
ATOM      0  HE2 HIS A  26       6.777  -7.600   0.814  1.00  0.00           H   new