USER  MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=1
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=  -0.565
USER  MOD Single : A   5 HIS     :     no HD1:sc=       0  X(o=0,f=-0.059)
USER  MOD Single : A   6 GLN     :      amide:sc=  -0.435  K(o=-0.43,f=-3.6!)
USER  MOD Single : A   9 HIS     :     no HD1:sc=   -1.09! C(o=-1.1!,f=-1!)
USER  MOD Single : A  11 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  25 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  26 HIS     :     no HD1:sc=  -0.506  X(o=-0.51,f=-0.7)
USER  MOD -----------------------------------------------------------------
ATOM     13  N   VAL A   2     -15.130  11.856   2.493  1.00  0.00           N
ATOM     14  CA  VAL A   2     -13.980  12.067   1.573  1.00  0.00           C
ATOM     15  C   VAL A   2     -13.209  13.323   1.986  1.00  0.00           C
ATOM     16  O   VAL A   2     -13.775  14.271   2.495  1.00  0.00           O
ATOM     17  CB  VAL A   2     -14.497  12.235   0.142  1.00  0.00           C
ATOM     18  CG1 VAL A   2     -15.513  13.378   0.098  1.00  0.00           C
ATOM     19  CG2 VAL A   2     -13.327  12.560  -0.790  1.00  0.00           C
ATOM      0  HA  VAL A   2     -13.316  11.204   1.624  1.00  0.00           H   new
ATOM      0  HB  VAL A   2     -14.974  11.310  -0.182  1.00  0.00           H   new
ATOM      0 HG11 VAL A   2     -15.882  13.498  -0.921  1.00  0.00           H   new
ATOM      0 HG12 VAL A   2     -16.347  13.149   0.761  1.00  0.00           H   new
ATOM      0 HG13 VAL A   2     -15.035  14.302   0.422  1.00  0.00           H   new
ATOM      0 HG21 VAL A   2     -13.696  12.679  -1.809  1.00  0.00           H   new
ATOM      0 HG22 VAL A   2     -12.850  13.485  -0.466  1.00  0.00           H   new
ATOM      0 HG23 VAL A   2     -12.601  11.747  -0.760  1.00  0.00           H   new
ATOM     29  N   SER A   3     -11.923  13.339   1.767  1.00  0.00           N
ATOM     30  CA  SER A   3     -11.114  14.532   2.142  1.00  0.00           C
ATOM     31  C   SER A   3     -10.133  14.853   1.012  1.00  0.00           C
ATOM     32  O   SER A   3     -10.035  14.131   0.040  1.00  0.00           O
ATOM     33  CB  SER A   3     -10.340  14.239   3.431  1.00  0.00           C
ATOM     34  OG  SER A   3      -8.989  14.660   3.281  1.00  0.00           O
ATOM      0  H   SER A   3     -11.397  12.575   1.343  1.00  0.00           H   new
ATOM      0  HA  SER A   3     -11.772  15.386   2.304  1.00  0.00           H   new
ATOM      0  HB2 SER A   3     -10.802  14.758   4.271  1.00  0.00           H   new
ATOM      0  HB3 SER A   3     -10.377  13.173   3.655  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -8.495  14.474   4.107  1.00  0.00           H   new
ATOM     40  N   GLU A   4      -9.408  15.931   1.129  1.00  0.00           N
ATOM     41  CA  GLU A   4      -8.437  16.296   0.061  1.00  0.00           C
ATOM     42  C   GLU A   4      -7.225  15.364   0.132  1.00  0.00           C
ATOM     43  O   GLU A   4      -6.910  14.666  -0.811  1.00  0.00           O
ATOM     44  CB  GLU A   4      -7.979  17.740   0.263  1.00  0.00           C
ATOM     45  CG  GLU A   4      -7.328  18.258  -1.020  1.00  0.00           C
ATOM     46  CD  GLU A   4      -8.341  19.092  -1.808  1.00  0.00           C
ATOM     47  OE1 GLU A   4      -9.513  19.035  -1.474  1.00  0.00           O
ATOM     48  OE2 GLU A   4      -7.926  19.774  -2.732  1.00  0.00           O
ATOM      0  H   GLU A   4      -9.446  16.575   1.919  1.00  0.00           H   new
ATOM      0  HA  GLU A   4      -8.915  16.197  -0.914  1.00  0.00           H   new
ATOM      0  HB2 GLU A   4      -8.829  18.368   0.530  1.00  0.00           H   new
ATOM      0  HB3 GLU A   4      -7.271  17.795   1.090  1.00  0.00           H   new
ATOM      0  HG2 GLU A   4      -6.454  18.862  -0.778  1.00  0.00           H   new
ATOM      0  HG3 GLU A   4      -6.980  17.422  -1.626  1.00  0.00           H   new
ATOM     55  N   HIS A   5      -6.539  15.352   1.242  1.00  0.00           N
ATOM     56  CA  HIS A   5      -5.348  14.473   1.370  1.00  0.00           C
ATOM     57  C   HIS A   5      -5.693  13.063   0.907  1.00  0.00           C
ATOM     58  O   HIS A   5      -4.832  12.321   0.478  1.00  0.00           O
ATOM     59  CB  HIS A   5      -4.879  14.442   2.816  1.00  0.00           C
ATOM     60  CG  HIS A   5      -3.407  14.729   2.872  1.00  0.00           C
ATOM     61  ND1 HIS A   5      -2.449  13.756   2.639  1.00  0.00           N
ATOM     62  CD2 HIS A   5      -2.715  15.881   3.137  1.00  0.00           C
ATOM     63  CE1 HIS A   5      -1.242  14.337   2.767  1.00  0.00           C
ATOM     64  NE2 HIS A   5      -1.348  15.634   3.071  1.00  0.00           N
ATOM      0  H   HIS A   5      -6.754  15.914   2.065  1.00  0.00           H   new
ATOM      0  HA  HIS A   5      -4.547  14.867   0.745  1.00  0.00           H   new
ATOM      0  HB2 HIS A   5      -5.427  15.180   3.403  1.00  0.00           H   new
ATOM      0  HB3 HIS A   5      -5.087  13.467   3.256  1.00  0.00           H   new
ATOM      0  HD2 HIS A   5      -3.163  16.837   3.363  1.00  0.00           H   new
ATOM      0  HE1 HIS A   5      -0.303  13.819   2.640  1.00  0.00           H   new
ATOM      0  HE2 HIS A   5      -0.590  16.299   3.222  1.00  0.00           H   new
ATOM     72  N   GLN A   6      -6.939  12.681   0.970  1.00  0.00           N
ATOM     73  CA  GLN A   6      -7.300  11.322   0.505  1.00  0.00           C
ATOM     74  C   GLN A   6      -6.662  11.120  -0.868  1.00  0.00           C
ATOM     75  O   GLN A   6      -6.100  12.038  -1.428  1.00  0.00           O
ATOM     76  CB  GLN A   6      -8.812  11.192   0.405  1.00  0.00           C
ATOM     77  CG  GLN A   6      -9.317  10.248   1.497  1.00  0.00           C
ATOM     78  CD  GLN A   6      -9.873   8.975   0.857  1.00  0.00           C
ATOM     79  OE1 GLN A   6     -10.077   8.921  -0.339  1.00  0.00           O
ATOM     80  NE2 GLN A   6     -10.129   7.941   1.611  1.00  0.00           N
ATOM      0  H   GLN A   6      -7.712  13.247   1.320  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -6.942  10.568   1.206  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6      -9.279  12.171   0.511  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -9.091  10.811  -0.577  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6      -8.505   9.999   2.181  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6     -10.091  10.739   2.087  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -9.957   7.987   2.615  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6     -10.501   7.087   1.196  1.00  0.00           H   new
ATOM     89  N   LEU A   7      -6.709   9.941  -1.414  1.00  0.00           N
ATOM     90  CA  LEU A   7      -6.052   9.745  -2.733  1.00  0.00           C
ATOM     91  C   LEU A   7      -4.549   9.804  -2.480  1.00  0.00           C
ATOM     92  O   LEU A   7      -3.855   8.811  -2.573  1.00  0.00           O
ATOM     93  CB  LEU A   7      -6.465  10.861  -3.696  1.00  0.00           C
ATOM     94  CG  LEU A   7      -7.039  10.247  -4.974  1.00  0.00           C
ATOM     95  CD1 LEU A   7      -8.335  10.969  -5.349  1.00  0.00           C
ATOM     96  CD2 LEU A   7      -6.026  10.397  -6.110  1.00  0.00           C
ATOM      0  H   LEU A   7      -7.163   9.119  -1.015  1.00  0.00           H   new
ATOM      0  HA  LEU A   7      -6.341   8.794  -3.181  1.00  0.00           H   new
ATOM      0  HB2 LEU A   7      -7.207  11.506  -3.225  1.00  0.00           H   new
ATOM      0  HB3 LEU A   7      -5.605  11.486  -3.935  1.00  0.00           H   new
ATOM      0  HG  LEU A   7      -7.246   9.190  -4.808  1.00  0.00           H   new
ATOM      0 HD11 LEU A   7      -8.745  10.532  -6.260  1.00  0.00           H   new
ATOM      0 HD12 LEU A   7      -9.057  10.864  -4.539  1.00  0.00           H   new
ATOM      0 HD13 LEU A   7      -8.128  12.026  -5.515  1.00  0.00           H   new
ATOM      0 HD21 LEU A   7      -6.434   9.960  -7.021  1.00  0.00           H   new
ATOM      0 HD22 LEU A   7      -5.819  11.454  -6.276  1.00  0.00           H   new
ATOM      0 HD23 LEU A   7      -5.102   9.884  -5.844  1.00  0.00           H   new
ATOM    108  N   LEU A   8      -4.047  10.952  -2.101  1.00  0.00           N
ATOM    109  CA  LEU A   8      -2.631  11.059  -1.779  1.00  0.00           C
ATOM    110  C   LEU A   8      -2.422  10.280  -0.486  1.00  0.00           C
ATOM    111  O   LEU A   8      -1.408   9.646  -0.267  1.00  0.00           O
ATOM    112  CB  LEU A   8      -2.307  12.528  -1.575  1.00  0.00           C
ATOM    113  CG  LEU A   8      -1.043  12.663  -0.738  1.00  0.00           C
ATOM    114  CD1 LEU A   8       0.020  11.728  -1.301  1.00  0.00           C
ATOM    115  CD2 LEU A   8      -0.545  14.105  -0.790  1.00  0.00           C
ATOM      0  H   LEU A   8      -4.580  11.817  -2.006  1.00  0.00           H   new
ATOM      0  HA  LEU A   8      -1.989  10.663  -2.566  1.00  0.00           H   new
ATOM      0  HB2 LEU A   8      -2.170  13.017  -2.539  1.00  0.00           H   new
ATOM      0  HB3 LEU A   8      -3.139  13.028  -1.079  1.00  0.00           H   new
ATOM      0  HG  LEU A   8      -1.253  12.400   0.299  1.00  0.00           H   new
ATOM      0 HD11 LEU A   8       0.931  11.815  -0.710  1.00  0.00           H   new
ATOM      0 HD12 LEU A   8      -0.341  10.700  -1.261  1.00  0.00           H   new
ATOM      0 HD13 LEU A   8       0.231  11.998  -2.336  1.00  0.00           H   new
ATOM      0 HD21 LEU A   8       0.360  14.199  -0.190  1.00  0.00           H   new
ATOM      0 HD22 LEU A   8      -0.326  14.377  -1.822  1.00  0.00           H   new
ATOM      0 HD23 LEU A   8      -1.313  14.770  -0.395  1.00  0.00           H   new
ATOM    127  N   HIS A   9      -3.409  10.333   0.367  1.00  0.00           N
ATOM    128  CA  HIS A   9      -3.355   9.623   1.655  1.00  0.00           C
ATOM    129  C   HIS A   9      -3.699   8.145   1.448  1.00  0.00           C
ATOM    130  O   HIS A   9      -3.786   7.390   2.395  1.00  0.00           O
ATOM    131  CB  HIS A   9      -4.371  10.267   2.596  1.00  0.00           C
ATOM    132  CG  HIS A   9      -4.565   9.398   3.786  1.00  0.00           C
ATOM    133  ND1 HIS A   9      -5.790   8.876   4.165  1.00  0.00           N
ATOM    134  CD2 HIS A   9      -3.668   8.958   4.690  1.00  0.00           C
ATOM    135  CE1 HIS A   9      -5.583   8.144   5.276  1.00  0.00           C
ATOM    136  NE2 HIS A   9      -4.297   8.161   5.641  1.00  0.00           N
ATOM      0  H   HIS A   9      -4.270  10.857   0.210  1.00  0.00           H   new
ATOM      0  HA  HIS A   9      -2.354   9.689   2.081  1.00  0.00           H   new
ATOM      0  HB2 HIS A   9      -4.023  11.252   2.905  1.00  0.00           H   new
ATOM      0  HB3 HIS A   9      -5.320  10.412   2.080  1.00  0.00           H   new
ATOM      0  HD2 HIS A   9      -2.613   9.190   4.678  1.00  0.00           H   new
ATOM      0  HE1 HIS A   9      -6.358   7.610   5.806  1.00  0.00           H   new
ATOM      0  HE2 HIS A   9      -3.871   7.693   6.441  1.00  0.00           H   new
ATOM    144  N   ASP A  10      -3.864   7.738   0.211  1.00  0.00           N
ATOM    145  CA  ASP A  10      -4.178   6.324  -0.123  1.00  0.00           C
ATOM    146  C   ASP A  10      -4.788   5.583   1.075  1.00  0.00           C
ATOM    147  O   ASP A  10      -5.981   5.651   1.293  1.00  0.00           O
ATOM    148  CB  ASP A  10      -2.875   5.682  -0.556  1.00  0.00           C
ATOM    149  CG  ASP A  10      -2.994   4.156  -0.536  1.00  0.00           C
ATOM    150  OD1 ASP A  10      -3.890   3.643  -1.185  1.00  0.00           O
ATOM    151  OD2 ASP A  10      -2.186   3.527   0.127  1.00  0.00           O
ATOM      0  H   ASP A  10      -3.790   8.352  -0.600  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      -4.922   6.274  -0.918  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10      -2.613   6.019  -1.559  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10      -2.070   5.998   0.107  1.00  0.00           H   new
ATOM    156  N   LYS A  11      -3.973   4.893   1.847  1.00  0.00           N
ATOM    157  CA  LYS A  11      -4.475   4.139   3.045  1.00  0.00           C
ATOM    158  C   LYS A  11      -5.966   3.818   2.903  1.00  0.00           C
ATOM    159  O   LYS A  11      -6.813   4.569   3.343  1.00  0.00           O
ATOM    160  CB  LYS A  11      -4.256   4.986   4.299  1.00  0.00           C
ATOM    161  CG  LYS A  11      -3.318   4.247   5.254  1.00  0.00           C
ATOM    162  CD  LYS A  11      -3.902   2.871   5.579  1.00  0.00           C
ATOM    163  CE  LYS A  11      -3.901   2.661   7.094  1.00  0.00           C
ATOM    164  NZ  LYS A  11      -5.048   3.397   7.695  1.00  0.00           N
ATOM      0  H   LYS A  11      -2.967   4.821   1.694  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      -3.925   3.201   3.123  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      -3.830   5.952   4.029  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      -5.210   5.184   4.789  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      -2.333   4.138   4.801  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      -3.186   4.823   6.170  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      -4.918   2.795   5.191  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      -3.316   2.091   5.093  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      -3.975   1.598   7.325  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      -2.963   3.016   7.521  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      -5.050   3.256   8.725  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      -4.958   4.412   7.485  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      -5.939   3.038   7.295  1.00  0.00           H   new
ATOM    178  N   GLY A  12      -6.298   2.718   2.287  1.00  0.00           N
ATOM    179  CA  GLY A  12      -7.738   2.376   2.119  1.00  0.00           C
ATOM    180  C   GLY A  12      -7.971   1.875   0.696  1.00  0.00           C
ATOM    181  O   GLY A  12      -8.843   1.069   0.450  1.00  0.00           O
ATOM      0  H   GLY A  12      -5.640   2.045   1.895  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      -8.029   1.611   2.839  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      -8.357   3.251   2.315  1.00  0.00           H   new
ATOM    185  N   LYS A  13      -7.186   2.345  -0.240  1.00  0.00           N
ATOM    186  CA  LYS A  13      -7.332   1.894  -1.644  1.00  0.00           C
ATOM    187  C   LYS A  13      -6.969   0.451  -1.737  1.00  0.00           C
ATOM    188  O   LYS A  13      -6.032   0.089  -2.412  1.00  0.00           O
ATOM    189  CB  LYS A  13      -6.415   2.709  -2.532  1.00  0.00           C
ATOM    190  CG  LYS A  13      -6.833   4.176  -2.496  1.00  0.00           C
ATOM    191  CD  LYS A  13      -7.654   4.478  -3.743  1.00  0.00           C
ATOM    192  CE  LYS A  13      -6.721   4.496  -4.950  1.00  0.00           C
ATOM    193  NZ  LYS A  13      -7.430   3.938  -6.135  1.00  0.00           N
ATOM      0  H   LYS A  13      -6.445   3.028  -0.083  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -8.363   2.031  -1.969  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13      -5.383   2.607  -2.196  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13      -6.456   2.334  -3.555  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13      -7.418   4.381  -1.599  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13      -5.954   4.819  -2.457  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13      -8.430   3.724  -3.876  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13      -8.158   5.439  -3.640  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13      -6.394   5.515  -5.155  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13      -5.826   3.911  -4.740  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13      -6.794   3.950  -6.958  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13      -7.721   2.959  -5.937  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13      -8.271   4.514  -6.339  1.00  0.00           H   new
ATOM    254  N   ASP A  17      -3.367  -1.913  -3.260  1.00  0.00           N
ATOM    255  CA  ASP A  17      -2.659  -0.775  -3.904  1.00  0.00           C
ATOM    256  C   ASP A  17      -1.648  -0.199  -2.924  1.00  0.00           C
ATOM    257  O   ASP A  17      -0.509   0.037  -3.278  1.00  0.00           O
ATOM    258  CB  ASP A  17      -3.661   0.302  -4.326  1.00  0.00           C
ATOM    259  CG  ASP A  17      -4.729  -0.318  -5.230  1.00  0.00           C
ATOM    260  OD1 ASP A  17      -4.368  -1.111  -6.083  1.00  0.00           O
ATOM    261  OD2 ASP A  17      -5.890   0.013  -5.054  1.00  0.00           O
ATOM      0  HA  ASP A  17      -2.140  -1.128  -4.795  1.00  0.00           H   new
ATOM      0  HB2 ASP A  17      -4.127   0.745  -3.446  1.00  0.00           H   new
ATOM      0  HB3 ASP A  17      -3.146   1.106  -4.852  1.00  0.00           H   new
ATOM    266  N   LEU A  18      -2.023  -0.017  -1.683  1.00  0.00           N
ATOM    267  CA  LEU A  18      -1.027   0.484  -0.698  1.00  0.00           C
ATOM    268  C   LEU A  18       0.217  -0.383  -0.880  1.00  0.00           C
ATOM    269  O   LEU A  18       1.337   0.026  -0.650  1.00  0.00           O
ATOM    270  CB  LEU A  18      -1.577   0.327   0.722  1.00  0.00           C
ATOM    271  CG  LEU A  18      -0.472   0.612   1.738  1.00  0.00           C
ATOM    272  CD1 LEU A  18       0.020   2.050   1.571  1.00  0.00           C
ATOM    273  CD2 LEU A  18      -1.025   0.423   3.152  1.00  0.00           C
ATOM      0  H   LEU A  18      -2.959  -0.191  -1.317  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -0.802   1.540  -0.851  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -2.411   1.011   0.877  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -1.962  -0.683   0.863  1.00  0.00           H   new
ATOM      0  HG  LEU A  18       0.359  -0.075   1.575  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18       0.808   2.251   2.297  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18       0.411   2.186   0.563  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18      -0.808   2.739   1.734  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -0.239   0.625   3.880  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -1.855   1.111   3.313  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -1.375  -0.602   3.272  1.00  0.00           H   new
ATOM    285  N   ARG A  19      -0.008  -1.586  -1.345  1.00  0.00           N
ATOM    286  CA  ARG A  19       1.089  -2.534  -1.623  1.00  0.00           C
ATOM    287  C   ARG A  19       1.840  -2.054  -2.861  1.00  0.00           C
ATOM    288  O   ARG A  19       3.052  -1.972  -2.874  1.00  0.00           O
ATOM    289  CB  ARG A  19       0.438  -3.898  -1.888  1.00  0.00           C
ATOM    290  CG  ARG A  19       1.253  -4.719  -2.892  1.00  0.00           C
ATOM    291  CD  ARG A  19       0.485  -5.993  -3.252  1.00  0.00           C
ATOM    292  NE  ARG A  19      -0.432  -6.366  -2.136  1.00  0.00           N
ATOM    293  CZ  ARG A  19      -0.248  -7.481  -1.484  1.00  0.00           C
ATOM    294  NH1 ARG A  19       0.131  -8.554  -2.122  1.00  0.00           N
ATOM    295  NH2 ARG A  19      -0.443  -7.522  -0.195  1.00  0.00           N
ATOM      0  H   ARG A  19      -0.939  -1.951  -1.546  1.00  0.00           H   new
ATOM      0  HA  ARG A  19       1.793  -2.605  -0.793  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       0.349  -4.449  -0.952  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      -0.573  -3.753  -2.269  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19       1.444  -4.131  -3.790  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19       2.223  -4.975  -2.466  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -0.086  -5.837  -4.167  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19       1.184  -6.806  -3.447  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      -1.203  -5.749  -1.882  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19       0.283  -8.521  -3.130  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19       0.275  -9.426  -1.613  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      -0.739  -6.683   0.303  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19      -0.299  -8.394   0.315  1.00  0.00           H   new
ATOM    309  N   ARG A  20       1.128  -1.740  -3.907  1.00  0.00           N
ATOM    310  CA  ARG A  20       1.813  -1.275  -5.134  1.00  0.00           C
ATOM    311  C   ARG A  20       2.541   0.031  -4.833  1.00  0.00           C
ATOM    312  O   ARG A  20       3.400   0.467  -5.572  1.00  0.00           O
ATOM    313  CB  ARG A  20       0.808  -1.132  -6.273  1.00  0.00           C
ATOM    314  CG  ARG A  20       0.047   0.190  -6.184  1.00  0.00           C
ATOM    315  CD  ARG A  20       0.003   0.809  -7.577  1.00  0.00           C
ATOM    316  NE  ARG A  20      -1.384   0.731  -8.106  1.00  0.00           N
ATOM    317  CZ  ARG A  20      -1.721   1.428  -9.155  1.00  0.00           C
ATOM    318  NH1 ARG A  20      -0.859   1.617 -10.116  1.00  0.00           N
ATOM    319  NH2 ARG A  20      -2.918   1.939  -9.242  1.00  0.00           N
ATOM      0  H   ARG A  20       0.110  -1.786  -3.961  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       2.554  -2.007  -5.456  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       1.329  -1.190  -7.229  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20       0.102  -1.962  -6.244  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20      -0.963   0.023  -5.810  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       0.538   0.865  -5.483  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20       0.331   1.848  -7.536  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20       0.688   0.284  -8.243  1.00  0.00           H   new
ATOM      0  HE  ARG A  20      -2.072   0.132  -7.649  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       0.078   1.220 -10.046  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20      -1.122   2.162 -10.937  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20      -3.591   1.793  -8.489  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20      -3.181   2.484 -10.063  1.00  0.00           H   new
ATOM    333  N   ARG A  21       2.255   0.631  -3.715  1.00  0.00           N
ATOM    334  CA  ARG A  21       3.000   1.854  -3.346  1.00  0.00           C
ATOM    335  C   ARG A  21       4.373   1.360  -2.921  1.00  0.00           C
ATOM    336  O   ARG A  21       5.388   1.979  -3.167  1.00  0.00           O
ATOM    337  CB  ARG A  21       2.295   2.568  -2.191  1.00  0.00           C
ATOM    338  CG  ARG A  21       1.817   3.944  -2.659  1.00  0.00           C
ATOM    339  CD  ARG A  21       0.699   3.771  -3.689  1.00  0.00           C
ATOM    340  NE  ARG A  21      -0.587   3.489  -2.987  1.00  0.00           N
ATOM    341  CZ  ARG A  21      -1.687   4.064  -3.388  1.00  0.00           C
ATOM    342  NH1 ARG A  21      -1.707   5.348  -3.613  1.00  0.00           N
ATOM    343  NH2 ARG A  21      -2.768   3.352  -3.567  1.00  0.00           N
ATOM      0  H   ARG A  21       1.544   0.329  -3.049  1.00  0.00           H   new
ATOM      0  HA  ARG A  21       3.064   2.570  -4.166  1.00  0.00           H   new
ATOM      0  HB2 ARG A  21       1.448   1.975  -1.845  1.00  0.00           H   new
ATOM      0  HB3 ARG A  21       2.975   2.675  -1.346  1.00  0.00           H   new
ATOM      0  HG2 ARG A  21       1.457   4.524  -1.809  1.00  0.00           H   new
ATOM      0  HG3 ARG A  21       2.646   4.500  -3.096  1.00  0.00           H   new
ATOM      0  HD2 ARG A  21       0.605   4.673  -4.294  1.00  0.00           H   new
ATOM      0  HD3 ARG A  21       0.940   2.955  -4.370  1.00  0.00           H   new
ATOM      0  HE  ARG A  21      -0.606   2.847  -2.194  1.00  0.00           H   new
ATOM      0 HH11 ARG A  21      -0.862   5.903  -3.475  1.00  0.00           H   new
ATOM      0 HH12 ARG A  21      -2.567   5.797  -3.927  1.00  0.00           H   new
ATOM      0 HH21 ARG A  21      -2.751   2.347  -3.393  1.00  0.00           H   new
ATOM      0 HH22 ARG A  21      -3.628   3.801  -3.881  1.00  0.00           H   new
ATOM    357  N   PHE A  22       4.393   0.198  -2.324  1.00  0.00           N
ATOM    358  CA  PHE A  22       5.673  -0.422  -1.914  1.00  0.00           C
ATOM    359  C   PHE A  22       6.161  -1.307  -3.057  1.00  0.00           C
ATOM    360  O   PHE A  22       7.332  -1.614  -3.157  1.00  0.00           O
ATOM    361  CB  PHE A  22       5.446  -1.255  -0.675  1.00  0.00           C
ATOM    362  CG  PHE A  22       4.905  -0.347   0.359  1.00  0.00           C
ATOM    363  CD1 PHE A  22       5.680   0.718   0.809  1.00  0.00           C
ATOM    364  CD2 PHE A  22       3.609  -0.537   0.830  1.00  0.00           C
ATOM    365  CE1 PHE A  22       5.154   1.603   1.737  1.00  0.00           C
ATOM    366  CE2 PHE A  22       3.087   0.342   1.765  1.00  0.00           C
ATOM    367  CZ  PHE A  22       3.860   1.411   2.212  1.00  0.00           C
ATOM      0  H   PHE A  22       3.562  -0.350  -2.103  1.00  0.00           H   new
ATOM      0  HA  PHE A  22       6.418   0.342  -1.693  1.00  0.00           H   new
ATOM      0  HB2 PHE A  22       4.749  -2.068  -0.878  1.00  0.00           H   new
ATOM      0  HB3 PHE A  22       6.378  -1.711  -0.340  1.00  0.00           H   new
ATOM      0  HD1 PHE A  22       6.685   0.854   0.437  1.00  0.00           H   new
ATOM      0  HD2 PHE A  22       3.015  -1.364   0.469  1.00  0.00           H   new
ATOM      0  HE1 PHE A  22       5.744   2.436   2.089  1.00  0.00           H   new
ATOM      0  HE2 PHE A  22       2.086   0.199   2.145  1.00  0.00           H   new
ATOM      0  HZ  PHE A  22       3.450   2.099   2.936  1.00  0.00           H   new
ATOM    377  N   PHE A  23       5.241  -1.712  -3.916  1.00  0.00           N
ATOM    378  CA  PHE A  23       5.583  -2.584  -5.095  1.00  0.00           C
ATOM    379  C   PHE A  23       7.059  -2.422  -5.459  1.00  0.00           C
ATOM    380  O   PHE A  23       7.887  -3.252  -5.145  1.00  0.00           O
ATOM    381  CB  PHE A  23       4.755  -2.159  -6.307  1.00  0.00           C
ATOM    382  CG  PHE A  23       3.870  -3.265  -6.764  1.00  0.00           C
ATOM    383  CD1 PHE A  23       3.330  -4.165  -5.844  1.00  0.00           C
ATOM    384  CD2 PHE A  23       3.563  -3.363  -8.120  1.00  0.00           C
ATOM    385  CE1 PHE A  23       2.475  -5.166  -6.289  1.00  0.00           C
ATOM    386  CE2 PHE A  23       2.716  -4.365  -8.563  1.00  0.00           C
ATOM    387  CZ  PHE A  23       2.173  -5.261  -7.648  1.00  0.00           C
ATOM      0  H   PHE A  23       4.253  -1.470  -3.846  1.00  0.00           H   new
ATOM      0  HA  PHE A  23       5.372  -3.619  -4.828  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23       4.152  -1.288  -6.052  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23       5.419  -1.861  -7.119  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23       3.575  -4.084  -4.795  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23       3.984  -2.660  -8.823  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23       2.047  -5.866  -5.587  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23       2.478  -4.450  -9.613  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23       1.509  -6.040  -7.994  1.00  0.00           H   new
ATOM    397  N   LEU A  24       7.386  -1.340  -6.115  1.00  0.00           N
ATOM    398  CA  LEU A  24       8.801  -1.099  -6.495  1.00  0.00           C
ATOM    399  C   LEU A  24       9.636  -0.931  -5.227  1.00  0.00           C
ATOM    400  O   LEU A  24      10.755  -1.397  -5.145  1.00  0.00           O
ATOM    401  CB  LEU A  24       8.896   0.171  -7.344  1.00  0.00           C
ATOM    402  CG  LEU A  24       7.895   0.090  -8.498  1.00  0.00           C
ATOM    403  CD1 LEU A  24       6.996   1.328  -8.484  1.00  0.00           C
ATOM    404  CD2 LEU A  24       8.654   0.028  -9.825  1.00  0.00           C
ATOM      0  H   LEU A  24       6.730  -0.614  -6.403  1.00  0.00           H   new
ATOM      0  HA  LEU A  24       9.175  -1.944  -7.073  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24       8.689   1.048  -6.730  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24       9.908   0.286  -7.733  1.00  0.00           H   new
ATOM      0  HG  LEU A  24       7.282  -0.804  -8.385  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24       6.283   1.269  -9.307  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24       6.456   1.375  -7.538  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24       7.608   2.223  -8.597  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24       7.943  -0.030 -10.649  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24       9.266   0.923  -9.936  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24       9.295  -0.854  -9.837  1.00  0.00           H   new
ATOM    416  N   HIS A  25       9.105  -0.272  -4.230  1.00  0.00           N
ATOM    417  CA  HIS A  25       9.887  -0.091  -2.973  1.00  0.00           C
ATOM    418  C   HIS A  25      10.378  -1.458  -2.490  1.00  0.00           C
ATOM    419  O   HIS A  25      11.496  -1.603  -2.037  1.00  0.00           O
ATOM    420  CB  HIS A  25       9.005   0.543  -1.896  1.00  0.00           C
ATOM    421  CG  HIS A  25       9.879   1.130  -0.821  1.00  0.00           C
ATOM    422  ND1 HIS A  25      10.156   2.486  -0.753  1.00  0.00           N
ATOM    423  CD2 HIS A  25      10.548   0.556   0.233  1.00  0.00           C
ATOM    424  CE1 HIS A  25      10.960   2.682   0.309  1.00  0.00           C
ATOM    425  NE2 HIS A  25      11.230   1.538   0.945  1.00  0.00           N
ATOM      0  H   HIS A  25       8.174   0.144  -4.231  1.00  0.00           H   new
ATOM      0  HA  HIS A  25      10.737   0.563  -3.166  1.00  0.00           H   new
ATOM      0  HB2 HIS A  25       8.377   1.319  -2.334  1.00  0.00           H   new
ATOM      0  HB3 HIS A  25       8.337  -0.205  -1.470  1.00  0.00           H   new
ATOM      0  HD2 HIS A  25      10.545  -0.497   0.472  1.00  0.00           H   new
ATOM      0  HE1 HIS A  25      11.341   3.647   0.610  1.00  0.00           H   new
ATOM      0  HE2 HIS A  25      11.811   1.412   1.774  1.00  0.00           H   new
ATOM    433  N   HIS A  26       9.549  -2.462  -2.581  1.00  0.00           N
ATOM    434  CA  HIS A  26       9.961  -3.811  -2.132  1.00  0.00           C
ATOM    435  C   HIS A  26      10.890  -4.447  -3.165  1.00  0.00           C
ATOM    436  O   HIS A  26      12.049  -4.702  -2.905  1.00  0.00           O
ATOM    437  CB  HIS A  26       8.735  -4.690  -1.969  1.00  0.00           C
ATOM    438  CG  HIS A  26       8.953  -5.578  -0.788  1.00  0.00           C
ATOM    439  ND1 HIS A  26       9.483  -5.096   0.393  1.00  0.00           N
ATOM    440  CD2 HIS A  26       8.755  -6.918  -0.596  1.00  0.00           C
ATOM    441  CE1 HIS A  26       9.591  -6.128   1.239  1.00  0.00           C
ATOM    442  NE2 HIS A  26       9.158  -7.268   0.689  1.00  0.00           N
ATOM      0  H   HIS A  26       8.600  -2.400  -2.950  1.00  0.00           H   new
ATOM      0  HA  HIS A  26      10.483  -3.719  -1.180  1.00  0.00           H   new
ATOM      0  HB2 HIS A  26       7.845  -4.078  -1.826  1.00  0.00           H   new
ATOM      0  HB3 HIS A  26       8.571  -5.285  -2.867  1.00  0.00           H   new
ATOM      0  HD2 HIS A  26       8.349  -7.599  -1.329  1.00  0.00           H   new
ATOM      0  HE1 HIS A  26       9.980  -6.050   2.243  1.00  0.00           H   new
ATOM      0  HE2 HIS A  26       9.129  -8.193   1.118  1.00  0.00           H   new