USER  MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 431 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  27 MET CE  :methyl -178:sc=       0   (180deg=-0.00518)
USER  MOD Set 1.2: A  41 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  12 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  13 THR OG1 :   rot  180:sc=  0.0222
USER  MOD Single : A  17 GLN     :      amide:sc=   -1.88! C(o=-1.9!,f=-1.7!)
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 GLN     :      amide:sc=  -0.195  X(o=-0.19,f=-0.21)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  39 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  43 SER OG  :   rot  -45:sc=    1.03
USER  MOD Single : A  44 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  50 LYS NZ  :NH3+    162:sc=  0.0248   (180deg=0.000851)
USER  MOD Single : A  51 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  55 TYR OH  :   rot  -80:sc=  -0.658
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  65 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    100  N   TRP A  10       8.985 -12.653  -9.098  1.00 32.25           N
ATOM    101  CA  TRP A  10       8.526 -11.940 -10.284  1.00 75.32           C
ATOM    102  C   TRP A  10       7.593 -12.813 -11.117  1.00 65.40           C
ATOM    103  O   TRP A  10       6.974 -12.342 -12.071  1.00 21.01           O
ATOM    104  CB  TRP A  10       9.719 -11.495 -11.131  1.00  1.14           C
ATOM    105  CG  TRP A  10      10.363 -12.617 -11.887  1.00 75.23           C
ATOM    106  CD1 TRP A  10      10.977 -13.716 -11.358  1.00 61.12           C
ATOM    107  CD2 TRP A  10      10.456 -12.749 -13.310  1.00  2.31           C
ATOM    108  NE1 TRP A  10      11.447 -14.523 -12.366  1.00 43.33           N
ATOM    109  CE2 TRP A  10      11.140 -13.952 -13.573  1.00 33.01           C
ATOM    110  CE3 TRP A  10      10.028 -11.968 -14.387  1.00 75.40           C
ATOM    111  CZ2 TRP A  10      11.404 -14.390 -14.868  1.00 11.11           C
ATOM    112  CZ3 TRP A  10      10.291 -12.404 -15.672  1.00 31.23           C
ATOM    113  CH2 TRP A  10      10.973 -13.606 -15.904  1.00 30.14           C
ATOM      0  HA  TRP A  10       7.974 -11.059  -9.956  1.00 75.32           H   new
ATOM      0  HB2 TRP A  10       9.390 -10.733 -11.837  1.00  1.14           H   new
ATOM      0  HB3 TRP A  10      10.462 -11.030 -10.483  1.00  1.14           H   new
ATOM      0  HD1 TRP A  10      11.078 -13.921 -10.302  1.00 61.12           H   new
ATOM      0  HE1 TRP A  10      11.944 -15.404 -12.237  1.00 43.33           H   new
ATOM      0  HE3 TRP A  10       9.501 -11.040 -14.218  1.00 75.40           H   new
ATOM      0  HZ2 TRP A  10      11.930 -15.316 -15.049  1.00 11.11           H   new
ATOM      0  HZ3 TRP A  10       9.965 -11.808 -16.512  1.00 31.23           H   new
ATOM      0  HH2 TRP A  10      11.162 -13.920 -16.920  1.00 30.14           H   new
ATOM    124  N   ARG A  11       7.498 -14.087 -10.751  1.00 23.34           N
ATOM    125  CA  ARG A  11       6.642 -15.026 -11.465  1.00 50.05           C
ATOM    126  C   ARG A  11       5.206 -14.948 -10.956  1.00 54.23           C
ATOM    127  O   ARG A  11       4.338 -15.702 -11.396  1.00 65.55           O
ATOM    128  CB  ARG A  11       7.172 -16.453 -11.311  1.00  2.42           C
ATOM    129  CG  ARG A  11       7.929 -16.956 -12.529  1.00 25.34           C
ATOM    130  CD  ARG A  11       8.697 -18.232 -12.219  1.00 31.10           C
ATOM    131  NE  ARG A  11       7.957 -19.426 -12.618  1.00 30.42           N
ATOM    132  CZ  ARG A  11       8.500 -20.636 -12.695  1.00 24.03           C
ATOM    133  NH1 ARG A  11       9.781 -20.811 -12.401  1.00 45.21           N
ATOM    134  NH2 ARG A  11       7.762 -21.674 -13.065  1.00 72.24           N
ATOM      0  H   ARG A  11       8.004 -14.493  -9.964  1.00 23.34           H   new
ATOM      0  HA  ARG A  11       6.651 -14.755 -12.521  1.00 50.05           H   new
ATOM      0  HB2 ARG A  11       7.829 -16.496 -10.442  1.00  2.42           H   new
ATOM      0  HB3 ARG A  11       6.335 -17.123 -11.111  1.00  2.42           H   new
ATOM      0  HG2 ARG A  11       7.229 -17.140 -13.344  1.00 25.34           H   new
ATOM      0  HG3 ARG A  11       8.622 -16.187 -12.872  1.00 25.34           H   new
ATOM      0  HD2 ARG A  11       9.657 -18.211 -12.734  1.00 31.10           H   new
ATOM      0  HD3 ARG A  11       8.909 -18.277 -11.151  1.00 31.10           H   new
ATOM      0  HE  ARG A  11       6.969 -19.325 -12.850  1.00 30.42           H   new
ATOM      0 HH11 ARG A  11      10.352 -20.016 -12.115  1.00 45.21           H   new
ATOM      0 HH12 ARG A  11      10.196 -21.741 -12.461  1.00 45.21           H   new
ATOM      0 HH21 ARG A  11       6.776 -21.544 -13.291  1.00 72.24           H   new
ATOM      0 HH22 ARG A  11       8.181 -22.602 -13.124  1.00 72.24           H   new
ATOM    148  N   SER A  12       4.962 -14.030 -10.026  1.00 61.02           N
ATOM    149  CA  SER A  12       3.632 -13.856  -9.454  1.00  3.02           C
ATOM    150  C   SER A  12       2.709 -13.139 -10.434  1.00 35.31           C
ATOM    151  O   SER A  12       3.142 -12.273 -11.195  1.00 32.23           O
ATOM    152  CB  SER A  12       3.716 -13.068  -8.145  1.00 43.12           C
ATOM    153  OG  SER A  12       2.569 -12.257  -7.964  1.00 13.42           O
ATOM      0  H   SER A  12       5.668 -13.395  -9.653  1.00 61.02           H   new
ATOM      0  HA  SER A  12       3.219 -14.844  -9.249  1.00  3.02           H   new
ATOM      0  HB2 SER A  12       3.813 -13.758  -7.307  1.00 43.12           H   new
ATOM      0  HB3 SER A  12       4.610 -12.444  -8.149  1.00 43.12           H   new
ATOM      0  HG  SER A  12       2.646 -11.765  -7.120  1.00 13.42           H   new
ATOM    159  N   THR A  13       1.431 -13.507 -10.410  1.00 40.31           N
ATOM    160  CA  THR A  13       0.445 -12.901 -11.296  1.00 70.22           C
ATOM    161  C   THR A  13       0.389 -11.390 -11.106  1.00  4.21           C
ATOM    162  O   THR A  13       0.425 -10.631 -12.074  1.00 61.11           O
ATOM    163  CB  THR A  13      -0.959 -13.489 -11.059  1.00 60.05           C
ATOM    164  OG1 THR A  13      -0.865 -14.894 -10.800  1.00 65.12           O
ATOM    165  CG2 THR A  13      -1.856 -13.250 -12.265  1.00 11.35           C
ATOM      0  H   THR A  13       1.055 -14.222  -9.787  1.00 40.31           H   new
ATOM      0  HA  THR A  13       0.758 -13.124 -12.316  1.00 70.22           H   new
ATOM      0  HB  THR A  13      -1.397 -12.989 -10.195  1.00 60.05           H   new
ATOM      0  HG1 THR A  13      -1.762 -15.259 -10.649  1.00 65.12           H   new
ATOM      0 HG21 THR A  13      -2.842 -13.674 -12.075  1.00 11.35           H   new
ATOM      0 HG22 THR A  13      -1.950 -12.179 -12.442  1.00 11.35           H   new
ATOM      0 HG23 THR A  13      -1.420 -13.726 -13.143  1.00 11.35           H   new
ATOM    173  N   ALA A  14       0.302 -10.959  -9.852  1.00  5.23           N
ATOM    174  CA  ALA A  14       0.245  -9.537  -9.535  1.00 31.33           C
ATOM    175  C   ALA A  14       1.407  -8.785 -10.175  1.00 15.44           C
ATOM    176  O   ALA A  14       1.245  -7.660 -10.649  1.00 13.13           O
ATOM    177  CB  ALA A  14       0.247  -9.332  -8.027  1.00 61.21           C
ATOM      0  H   ALA A  14       0.269 -11.574  -9.039  1.00  5.23           H   new
ATOM      0  HA  ALA A  14      -0.682  -9.136  -9.944  1.00 31.33           H   new
ATOM      0  HB1 ALA A  14       0.204  -8.266  -7.805  1.00 61.21           H   new
ATOM      0  HB2 ALA A  14      -0.620  -9.829  -7.591  1.00 61.21           H   new
ATOM      0  HB3 ALA A  14       1.158  -9.755  -7.604  1.00 61.21           H   new
ATOM    183  N   PHE A  15       2.578  -9.412 -10.184  1.00 42.42           N
ATOM    184  CA  PHE A  15       3.768  -8.800 -10.765  1.00 11.15           C
ATOM    185  C   PHE A  15       3.592  -8.585 -12.265  1.00 62.30           C
ATOM    186  O   PHE A  15       3.502  -7.451 -12.734  1.00 45.32           O
ATOM    187  CB  PHE A  15       4.996  -9.674 -10.503  1.00 70.53           C
ATOM    188  CG  PHE A  15       6.279  -8.898 -10.422  1.00 12.53           C
ATOM    189  CD1 PHE A  15       6.796  -8.270 -11.543  1.00 43.52           C
ATOM    190  CD2 PHE A  15       6.967  -8.795  -9.224  1.00 11.45           C
ATOM    191  CE1 PHE A  15       7.977  -7.555 -11.471  1.00 11.31           C
ATOM    192  CE2 PHE A  15       8.148  -8.081  -9.145  1.00 51.30           C
ATOM    193  CZ  PHE A  15       8.653  -7.459 -10.270  1.00 71.12           C
ATOM      0  H   PHE A  15       2.729 -10.343  -9.796  1.00 42.42           H   new
ATOM      0  HA  PHE A  15       3.915  -7.829 -10.292  1.00 11.15           H   new
ATOM      0  HB2 PHE A  15       4.851 -10.219  -9.570  1.00 70.53           H   new
ATOM      0  HB3 PHE A  15       5.079 -10.416 -11.297  1.00 70.53           H   new
ATOM      0  HD1 PHE A  15       6.271  -8.340 -12.484  1.00 43.52           H   new
ATOM      0  HD2 PHE A  15       6.576  -9.278  -8.341  1.00 11.45           H   new
ATOM      0  HE1 PHE A  15       8.371  -7.072 -12.353  1.00 11.31           H   new
ATOM      0  HE2 PHE A  15       8.675  -8.010  -8.205  1.00 51.30           H   new
ATOM      0  HZ  PHE A  15       9.574  -6.899 -10.211  1.00 71.12           H   new
ATOM    203  N   ARG A  16       3.545  -9.683 -13.012  1.00 73.41           N
ATOM    204  CA  ARG A  16       3.382  -9.616 -14.459  1.00 72.44           C
ATOM    205  C   ARG A  16       2.145  -8.804 -14.830  1.00 55.11           C
ATOM    206  O   ARG A  16       2.157  -8.043 -15.798  1.00 24.54           O
ATOM    207  CB  ARG A  16       3.276 -11.024 -15.048  1.00 34.52           C
ATOM    208  CG  ARG A  16       3.393 -11.062 -16.563  1.00  3.03           C
ATOM    209  CD  ARG A  16       2.918 -12.392 -17.126  1.00 34.13           C
ATOM    210  NE  ARG A  16       1.465 -12.437 -17.271  1.00  1.03           N
ATOM    211  CZ  ARG A  16       0.831 -13.301 -18.055  1.00 62.24           C
ATOM    212  NH1 ARG A  16       1.519 -14.188 -18.762  1.00 33.02           N
ATOM    213  NH2 ARG A  16      -0.493 -13.280 -18.134  1.00 52.24           N
ATOM      0  H   ARG A  16       3.617 -10.630 -12.639  1.00 73.41           H   new
ATOM      0  HA  ARG A  16       4.259  -9.121 -14.875  1.00 72.44           H   new
ATOM      0  HB2 ARG A  16       4.058 -11.649 -14.616  1.00 34.52           H   new
ATOM      0  HB3 ARG A  16       2.321 -11.460 -14.755  1.00 34.52           H   new
ATOM      0  HG2 ARG A  16       2.805 -10.252 -16.995  1.00  3.03           H   new
ATOM      0  HG3 ARG A  16       4.430 -10.893 -16.853  1.00  3.03           H   new
ATOM      0  HD2 ARG A  16       3.385 -12.562 -18.096  1.00 34.13           H   new
ATOM      0  HD3 ARG A  16       3.242 -13.200 -16.470  1.00 34.13           H   new
ATOM      0  HE  ARG A  16       0.907 -11.768 -16.741  1.00  1.03           H   new
ATOM      0 HH11 ARG A  16       2.537 -14.207 -18.704  1.00 33.02           H   new
ATOM      0 HH12 ARG A  16       1.030 -14.851 -19.364  1.00 33.02           H   new
ATOM      0 HH21 ARG A  16      -1.026 -12.599 -17.592  1.00 52.24           H   new
ATOM      0 HH22 ARG A  16      -0.979 -13.944 -18.737  1.00 52.24           H   new
ATOM    227  N   GLN A  17       1.078  -8.972 -14.054  1.00 45.33           N
ATOM    228  CA  GLN A  17      -0.167  -8.255 -14.303  1.00  3.24           C
ATOM    229  C   GLN A  17       0.068  -6.748 -14.326  1.00 61.04           C
ATOM    230  O   GLN A  17      -0.161  -6.089 -15.341  1.00 23.01           O
ATOM    231  CB  GLN A  17      -1.203  -8.604 -13.233  1.00 71.52           C
ATOM    232  CG  GLN A  17      -2.549  -7.932 -13.448  1.00 35.20           C
ATOM    233  CD  GLN A  17      -2.568  -6.496 -12.964  1.00 14.22           C
ATOM    234  OE1 GLN A  17      -2.805  -5.570 -13.740  1.00 41.13           O
ATOM    235  NE2 GLN A  17      -2.319  -6.302 -11.674  1.00 62.10           N
ATOM      0  H   GLN A  17       1.051  -9.598 -13.249  1.00 45.33           H   new
ATOM      0  HA  GLN A  17      -0.544  -8.561 -15.279  1.00  3.24           H   new
ATOM      0  HB2 GLN A  17      -1.344  -9.685 -13.215  1.00 71.52           H   new
ATOM      0  HB3 GLN A  17      -0.815  -8.317 -12.256  1.00 71.52           H   new
ATOM      0  HG2 GLN A  17      -2.798  -7.957 -14.509  1.00 35.20           H   new
ATOM      0  HG3 GLN A  17      -3.321  -8.498 -12.926  1.00 35.20           H   new
ATOM      0 HE21 GLN A  17      -2.127  -7.098 -11.066  1.00 62.10           H   new
ATOM      0 HE22 GLN A  17      -2.319  -5.357 -11.291  1.00 62.10           H   new
ATOM    244  N   LYS A  18       0.526  -6.208 -13.202  1.00 51.32           N
ATOM    245  CA  LYS A  18       0.793  -4.779 -13.093  1.00  1.50           C
ATOM    246  C   LYS A  18       1.678  -4.301 -14.240  1.00 22.31           C
ATOM    247  O   LYS A  18       1.386  -3.294 -14.885  1.00 50.25           O
ATOM    248  CB  LYS A  18       1.463  -4.465 -11.753  1.00 51.12           C
ATOM    249  CG  LYS A  18       0.485  -4.053 -10.666  1.00 43.22           C
ATOM    250  CD  LYS A  18       1.076  -4.253  -9.280  1.00 53.54           C
ATOM    251  CE  LYS A  18       1.736  -2.982  -8.767  1.00 50.04           C
ATOM    252  NZ  LYS A  18       3.112  -3.238  -8.260  1.00 65.21           N
ATOM      0  H   LYS A  18       0.720  -6.739 -12.353  1.00 51.32           H   new
ATOM      0  HA  LYS A  18      -0.160  -4.252 -13.149  1.00  1.50           H   new
ATOM      0  HB2 LYS A  18       2.017  -5.342 -11.419  1.00 51.12           H   new
ATOM      0  HB3 LYS A  18       2.190  -3.666 -11.898  1.00 51.12           H   new
ATOM      0  HG2 LYS A  18       0.212  -3.006 -10.799  1.00 43.22           H   new
ATOM      0  HG3 LYS A  18      -0.431  -4.636 -10.760  1.00 43.22           H   new
ATOM      0  HD2 LYS A  18       0.291  -4.561  -8.589  1.00 53.54           H   new
ATOM      0  HD3 LYS A  18       1.809  -5.059  -9.309  1.00 53.54           H   new
ATOM      0  HE2 LYS A  18       1.776  -2.244  -9.568  1.00 50.04           H   new
ATOM      0  HE3 LYS A  18       1.129  -2.554  -7.969  1.00 50.04           H   new
ATOM      0  HZ1 LYS A  18       3.528  -2.348  -7.919  1.00 65.21           H   new
ATOM      0  HZ2 LYS A  18       3.072  -3.923  -7.478  1.00 65.21           H   new
ATOM      0  HZ3 LYS A  18       3.699  -3.623  -9.028  1.00 65.21           H   new
ATOM    266  N   LEU A  19       2.760  -5.031 -14.489  1.00 71.04           N
ATOM    267  CA  LEU A  19       3.687  -4.683 -15.560  1.00 63.03           C
ATOM    268  C   LEU A  19       2.979  -4.672 -16.911  1.00 45.44           C
ATOM    269  O   LEU A  19       3.206  -3.786 -17.736  1.00  4.24           O
ATOM    270  CB  LEU A  19       4.855  -5.671 -15.592  1.00 12.13           C
ATOM    271  CG  LEU A  19       6.002  -5.385 -14.622  1.00 62.01           C
ATOM    272  CD1 LEU A  19       7.123  -4.636 -15.327  1.00 35.11           C
ATOM    273  CD2 LEU A  19       5.502  -4.594 -13.422  1.00 71.12           C
ATOM      0  H   LEU A  19       3.017  -5.867 -13.964  1.00 71.04           H   new
ATOM      0  HA  LEU A  19       4.071  -3.682 -15.363  1.00 63.03           H   new
ATOM      0  HB2 LEU A  19       4.468  -6.668 -15.381  1.00 12.13           H   new
ATOM      0  HB3 LEU A  19       5.259  -5.693 -16.604  1.00 12.13           H   new
ATOM      0  HG  LEU A  19       6.396  -6.337 -14.265  1.00 62.01           H   new
ATOM      0 HD11 LEU A  19       7.930  -4.441 -14.621  1.00 35.11           H   new
ATOM      0 HD12 LEU A  19       7.500  -5.239 -16.153  1.00 35.11           H   new
ATOM      0 HD13 LEU A  19       6.742  -3.690 -15.713  1.00 35.11           H   new
ATOM      0 HD21 LEU A  19       6.332  -4.400 -12.743  1.00 71.12           H   new
ATOM      0 HD22 LEU A  19       5.081  -3.647 -13.760  1.00 71.12           H   new
ATOM      0 HD23 LEU A  19       4.734  -5.168 -12.902  1.00 71.12           H   new
ATOM    285  N   VAL A  20       2.119  -5.661 -17.131  1.00 51.42           N
ATOM    286  CA  VAL A  20       1.375  -5.763 -18.381  1.00 13.12           C
ATOM    287  C   VAL A  20       0.552  -4.505 -18.635  1.00 34.03           C
ATOM    288  O   VAL A  20       0.463  -4.027 -19.765  1.00 51.44           O
ATOM    289  CB  VAL A  20       0.437  -6.985 -18.377  1.00 51.22           C
ATOM    290  CG1 VAL A  20      -0.657  -6.822 -19.422  1.00  4.11           C
ATOM    291  CG2 VAL A  20       1.227  -8.263 -18.615  1.00 51.20           C
ATOM      0  H   VAL A  20       1.920  -6.403 -16.460  1.00 51.42           H   new
ATOM      0  HA  VAL A  20       2.109  -5.880 -19.178  1.00 13.12           H   new
ATOM      0  HB  VAL A  20      -0.037  -7.055 -17.398  1.00 51.22           H   new
ATOM      0 HG11 VAL A  20      -1.310  -7.695 -19.405  1.00  4.11           H   new
ATOM      0 HG12 VAL A  20      -1.240  -5.928 -19.202  1.00  4.11           H   new
ATOM      0 HG13 VAL A  20      -0.206  -6.726 -20.409  1.00  4.11           H   new
ATOM      0 HG21 VAL A  20       0.549  -9.116 -18.609  1.00 51.20           H   new
ATOM      0 HG22 VAL A  20       1.730  -8.206 -19.581  1.00 51.20           H   new
ATOM      0 HG23 VAL A  20       1.969  -8.384 -17.826  1.00 51.20           H   new
ATOM    301  N   SER A  21      -0.049  -3.973 -17.575  1.00 20.42           N
ATOM    302  CA  SER A  21      -0.868  -2.772 -17.683  1.00 73.00           C
ATOM    303  C   SER A  21      -0.020  -1.570 -18.087  1.00 63.32           C
ATOM    304  O   SER A  21      -0.433  -0.755 -18.911  1.00 62.14           O
ATOM    305  CB  SER A  21      -1.574  -2.489 -16.355  1.00 61.04           C
ATOM    306  OG  SER A  21      -2.252  -1.245 -16.393  1.00 61.22           O
ATOM      0  H   SER A  21       0.016  -4.355 -16.632  1.00 20.42           H   new
ATOM      0  HA  SER A  21      -1.617  -2.942 -18.456  1.00 73.00           H   new
ATOM      0  HB2 SER A  21      -2.284  -3.287 -16.140  1.00 61.04           H   new
ATOM      0  HB3 SER A  21      -0.844  -2.485 -15.545  1.00 61.04           H   new
ATOM      0  HG  SER A  21      -2.696  -1.088 -15.534  1.00 61.22           H   new
ATOM    312  N   GLN A  22       1.168  -1.469 -17.500  1.00 45.32           N
ATOM    313  CA  GLN A  22       2.075  -0.367 -17.798  1.00 44.53           C
ATOM    314  C   GLN A  22       2.429  -0.338 -19.282  1.00 32.34           C
ATOM    315  O   GLN A  22       2.324   0.700 -19.935  1.00 11.43           O
ATOM    316  CB  GLN A  22       3.350  -0.486 -16.960  1.00 54.05           C
ATOM    317  CG  GLN A  22       3.092  -0.522 -15.463  1.00 11.23           C
ATOM    318  CD  GLN A  22       1.990   0.429 -15.037  1.00 64.12           C
ATOM    319  OE1 GLN A  22       0.845   0.022 -14.839  1.00 24.12           O
ATOM    320  NE2 GLN A  22       2.331   1.704 -14.894  1.00 44.33           N
ATOM      0  H   GLN A  22       1.525  -2.136 -16.816  1.00 45.32           H   new
ATOM      0  HA  GLN A  22       1.568   0.565 -17.546  1.00 44.53           H   new
ATOM      0  HB2 GLN A  22       3.883  -1.392 -17.250  1.00 54.05           H   new
ATOM      0  HB3 GLN A  22       4.004   0.356 -17.187  1.00 54.05           H   new
ATOM      0  HG2 GLN A  22       2.825  -1.537 -15.169  1.00 11.23           H   new
ATOM      0  HG3 GLN A  22       4.010  -0.268 -14.934  1.00 11.23           H   new
ATOM      0 HE21 GLN A  22       3.292   1.998 -15.069  1.00 44.33           H   new
ATOM      0 HE22 GLN A  22       1.632   2.390 -14.609  1.00 44.33           H   new
ATOM    329  N   ILE A  23       2.848  -1.485 -19.807  1.00 11.42           N
ATOM    330  CA  ILE A  23       3.216  -1.591 -21.213  1.00 50.42           C
ATOM    331  C   ILE A  23       2.031  -1.270 -22.117  1.00 53.33           C
ATOM    332  O   ILE A  23       2.195  -0.686 -23.188  1.00 11.32           O
ATOM    333  CB  ILE A  23       3.740  -2.998 -21.553  1.00 65.13           C
ATOM    334  CG1 ILE A  23       5.038  -3.280 -20.793  1.00 33.33           C
ATOM    335  CG2 ILE A  23       3.959  -3.134 -23.053  1.00  0.22           C
ATOM    336  CD1 ILE A  23       5.014  -4.580 -20.020  1.00 23.34           C
ATOM      0  H   ILE A  23       2.941  -2.353 -19.280  1.00 11.42           H   new
ATOM      0  HA  ILE A  23       4.010  -0.865 -21.387  1.00 50.42           H   new
ATOM      0  HB  ILE A  23       2.994  -3.731 -21.246  1.00 65.13           H   new
ATOM      0 HG12 ILE A  23       5.867  -3.303 -21.501  1.00 33.33           H   new
ATOM      0 HG13 ILE A  23       5.231  -2.459 -20.102  1.00 33.33           H   new
ATOM      0 HG21 ILE A  23       4.330  -4.134 -23.277  1.00  0.22           H   new
ATOM      0 HG22 ILE A  23       3.016  -2.971 -23.575  1.00  0.22           H   new
ATOM      0 HG23 ILE A  23       4.689  -2.394 -23.383  1.00  0.22           H   new
ATOM      0 HD11 ILE A  23       5.966  -4.715 -19.506  1.00 23.34           H   new
ATOM      0 HD12 ILE A  23       4.207  -4.553 -19.288  1.00 23.34           H   new
ATOM      0 HD13 ILE A  23       4.852  -5.410 -20.708  1.00 23.34           H   new
ATOM    348  N   GLU A  24       0.837  -1.654 -21.677  1.00 74.44           N
ATOM    349  CA  GLU A  24      -0.377  -1.406 -22.447  1.00 64.33           C
ATOM    350  C   GLU A  24      -0.753   0.072 -22.408  1.00 33.11           C
ATOM    351  O   GLU A  24      -1.284   0.614 -23.377  1.00 54.22           O
ATOM    352  CB  GLU A  24      -1.532  -2.253 -21.908  1.00  4.31           C
ATOM    353  CG  GLU A  24      -2.358  -2.919 -22.995  1.00 41.44           C
ATOM    354  CD  GLU A  24      -3.780  -2.395 -23.050  1.00 71.42           C
ATOM    355  OE1 GLU A  24      -4.463  -2.424 -22.005  1.00 21.32           O
ATOM    356  OE2 GLU A  24      -4.210  -1.958 -24.138  1.00 13.45           O
ATOM      0  H   GLU A  24       0.684  -2.138 -20.792  1.00 74.44           H   new
ATOM      0  HA  GLU A  24      -0.184  -1.687 -23.482  1.00 64.33           H   new
ATOM      0  HB2 GLU A  24      -1.130  -3.021 -21.247  1.00  4.31           H   new
ATOM      0  HB3 GLU A  24      -2.183  -1.621 -21.304  1.00  4.31           H   new
ATOM      0  HG2 GLU A  24      -1.878  -2.759 -23.960  1.00 41.44           H   new
ATOM      0  HG3 GLU A  24      -2.378  -3.995 -22.823  1.00 41.44           H   new
ATOM    363  N   ASP A  25      -0.475   0.717 -21.281  1.00  0.33           N
ATOM    364  CA  ASP A  25      -0.784   2.133 -21.114  1.00 25.32           C
ATOM    365  C   ASP A  25       0.154   2.996 -21.952  1.00 62.12           C
ATOM    366  O   ASP A  25      -0.287   3.898 -22.664  1.00 63.52           O
ATOM    367  CB  ASP A  25      -0.680   2.529 -19.640  1.00 74.21           C
ATOM    368  CG  ASP A  25      -1.407   3.824 -19.337  1.00  1.44           C
ATOM    369  OD1 ASP A  25      -2.533   4.007 -19.845  1.00 60.23           O
ATOM    370  OD2 ASP A  25      -0.850   4.655 -18.590  1.00  2.54           O
ATOM      0  H   ASP A  25      -0.036   0.282 -20.469  1.00  0.33           H   new
ATOM      0  HA  ASP A  25      -1.805   2.300 -21.456  1.00 25.32           H   new
ATOM      0  HB2 ASP A  25      -1.092   1.731 -19.022  1.00 74.21           H   new
ATOM      0  HB3 ASP A  25       0.370   2.633 -19.368  1.00 74.21           H   new
ATOM    375  N   ALA A  26       1.450   2.714 -21.861  1.00 74.43           N
ATOM    376  CA  ALA A  26       2.449   3.463 -22.612  1.00  3.21           C
ATOM    377  C   ALA A  26       2.205   3.353 -24.113  1.00 65.31           C
ATOM    378  O   ALA A  26       2.280   4.344 -24.838  1.00 13.41           O
ATOM    379  CB  ALA A  26       3.847   2.973 -22.265  1.00 22.22           C
ATOM      0  H   ALA A  26       1.832   1.972 -21.274  1.00 74.43           H   new
ATOM      0  HA  ALA A  26       2.364   4.513 -22.333  1.00  3.21           H   new
ATOM      0  HB1 ALA A  26       4.583   3.541 -22.833  1.00 22.22           H   new
ATOM      0  HB2 ALA A  26       4.027   3.111 -21.199  1.00 22.22           H   new
ATOM      0  HB3 ALA A  26       3.934   1.915 -22.514  1.00 22.22           H   new
ATOM    385  N   MET A  27       1.915   2.140 -24.573  1.00 40.10           N
ATOM    386  CA  MET A  27       1.660   1.901 -25.989  1.00 11.12           C
ATOM    387  C   MET A  27       0.447   2.694 -26.464  1.00 51.51           C
ATOM    388  O   MET A  27       0.487   3.339 -27.512  1.00  2.50           O
ATOM    389  CB  MET A  27       1.440   0.409 -26.245  1.00 21.14           C
ATOM    390  CG  MET A  27       2.400  -0.181 -27.265  1.00 52.44           C
ATOM    391  SD  MET A  27       1.631  -1.450 -28.290  1.00 13.51           S
ATOM    392  CE  MET A  27       1.320  -2.726 -27.072  1.00 44.21           C
ATOM      0  H   MET A  27       1.851   1.308 -23.986  1.00 40.10           H   new
ATOM      0  HA  MET A  27       2.533   2.234 -26.551  1.00 11.12           H   new
ATOM      0  HB2 MET A  27       1.545  -0.132 -25.304  1.00 21.14           H   new
ATOM      0  HB3 MET A  27       0.417   0.255 -26.589  1.00 21.14           H   new
ATOM      0  HG2 MET A  27       2.780   0.616 -27.904  1.00 52.44           H   new
ATOM      0  HG3 MET A  27       3.258  -0.609 -26.746  1.00 52.44           H   new
ATOM      0  HE1 MET A  27       0.878  -3.595 -27.560  1.00 44.21           H   new
ATOM      0  HE2 MET A  27       2.259  -3.014 -26.599  1.00 44.21           H   new
ATOM      0  HE3 MET A  27       0.634  -2.347 -26.315  1.00 44.21           H   new
ATOM    402  N   ARG A  28      -0.630   2.642 -25.688  1.00 33.15           N
ATOM    403  CA  ARG A  28      -1.855   3.355 -26.031  1.00 31.44           C
ATOM    404  C   ARG A  28      -1.565   4.824 -26.323  1.00 73.11           C
ATOM    405  O   ARG A  28      -1.890   5.330 -27.397  1.00 43.35           O
ATOM    406  CB  ARG A  28      -2.872   3.241 -24.894  1.00 32.24           C
ATOM    407  CG  ARG A  28      -4.066   4.168 -25.049  1.00 52.34           C
ATOM    408  CD  ARG A  28      -5.376   3.437 -24.800  1.00  1.11           C
ATOM    409  NE  ARG A  28      -6.512   4.353 -24.744  1.00 31.11           N
ATOM    410  CZ  ARG A  28      -7.775   3.952 -24.648  1.00  1.34           C
ATOM    411  NH1 ARG A  28      -8.061   2.659 -24.596  1.00 75.23           N
ATOM    412  NH2 ARG A  28      -8.754   4.847 -24.602  1.00 33.52           N
ATOM      0  H   ARG A  28      -0.680   2.113 -24.817  1.00 33.15           H   new
ATOM      0  HA  ARG A  28      -2.272   2.899 -26.929  1.00 31.44           H   new
ATOM      0  HB2 ARG A  28      -3.227   2.212 -24.837  1.00 32.24           H   new
ATOM      0  HB3 ARG A  28      -2.374   3.459 -23.949  1.00 32.24           H   new
ATOM      0  HG2 ARG A  28      -3.974   5.000 -24.351  1.00 52.34           H   new
ATOM      0  HG3 ARG A  28      -4.070   4.593 -26.053  1.00 52.34           H   new
ATOM      0  HD2 ARG A  28      -5.539   2.705 -25.591  1.00  1.11           H   new
ATOM      0  HD3 ARG A  28      -5.310   2.884 -23.863  1.00  1.11           H   new
ATOM      0  HE  ARG A  28      -6.326   5.355 -24.781  1.00 31.11           H   new
ATOM      0 HH11 ARG A  28      -7.311   1.969 -24.630  1.00 75.23           H   new
ATOM      0 HH12 ARG A  28      -9.032   2.354 -24.522  1.00 75.23           H   new
ATOM      0 HH21 ARG A  28      -8.537   5.843 -24.640  1.00 33.52           H   new
ATOM      0 HH22 ARG A  28      -9.724   4.539 -24.528  1.00 33.52           H   new
ATOM    426  N   LYS A  29      -0.953   5.504 -25.360  1.00 31.03           N
ATOM    427  CA  LYS A  29      -0.618   6.915 -25.512  1.00 74.14           C
ATOM    428  C   LYS A  29       0.503   7.101 -26.530  1.00 20.14           C
ATOM    429  O   LYS A  29       0.647   8.171 -27.120  1.00 10.13           O
ATOM    430  CB  LYS A  29      -0.203   7.510 -24.165  1.00 54.52           C
ATOM    431  CG  LYS A  29      -1.324   8.252 -23.457  1.00 42.20           C
ATOM    432  CD  LYS A  29      -0.831   8.927 -22.188  1.00 21.11           C
ATOM    433  CE  LYS A  29      -1.802   8.723 -21.035  1.00 41.01           C
ATOM    434  NZ  LYS A  29      -2.988   9.617 -21.144  1.00  4.53           N
ATOM      0  H   LYS A  29      -0.678   5.100 -24.464  1.00 31.03           H   new
ATOM      0  HA  LYS A  29      -1.504   7.436 -25.874  1.00 74.14           H   new
ATOM      0  HB2 LYS A  29       0.156   6.709 -23.519  1.00 54.52           H   new
ATOM      0  HB3 LYS A  29       0.632   8.193 -24.321  1.00 54.52           H   new
ATOM      0  HG2 LYS A  29      -1.747   9.000 -24.128  1.00 42.20           H   new
ATOM      0  HG3 LYS A  29      -2.125   7.555 -23.212  1.00 42.20           H   new
ATOM      0  HD2 LYS A  29       0.146   8.526 -21.918  1.00 21.11           H   new
ATOM      0  HD3 LYS A  29      -0.699   9.994 -22.370  1.00 21.11           H   new
ATOM      0  HE2 LYS A  29      -2.131   7.684 -21.017  1.00 41.01           H   new
ATOM      0  HE3 LYS A  29      -1.290   8.912 -20.091  1.00 41.01           H   new
ATOM      0  HZ1 LYS A  29      -3.625   9.448 -20.340  1.00  4.53           H   new
ATOM      0  HZ2 LYS A  29      -2.677  10.609 -21.136  1.00  4.53           H   new
ATOM      0  HZ3 LYS A  29      -3.491   9.419 -22.032  1.00  4.53           H   new
ATOM    448  N   ALA A  30       1.294   6.052 -26.730  1.00 72.23           N
ATOM    449  CA  ALA A  30       2.400   6.099 -27.679  1.00 14.13           C
ATOM    450  C   ALA A  30       1.890   6.139 -29.115  1.00 75.42           C
ATOM    451  O   ALA A  30       2.574   6.625 -30.014  1.00 41.12           O
ATOM    452  CB  ALA A  30       3.320   4.905 -27.476  1.00 62.30           C
ATOM      0  H   ALA A  30       1.190   5.159 -26.248  1.00 72.23           H   new
ATOM      0  HA  ALA A  30       2.964   7.014 -27.497  1.00 14.13           H   new
ATOM      0  HB1 ALA A  30       4.141   4.953 -28.191  1.00 62.30           H   new
ATOM      0  HB2 ALA A  30       3.720   4.922 -26.462  1.00 62.30           H   new
ATOM      0  HB3 ALA A  30       2.759   3.983 -27.629  1.00 62.30           H   new
ATOM    458  N   GLY A  31       0.682   5.622 -29.324  1.00 42.12           N
ATOM    459  CA  GLY A  31       0.102   5.608 -30.654  1.00 74.32           C
ATOM    460  C   GLY A  31       0.891   4.748 -31.622  1.00 12.50           C
ATOM    461  O   GLY A  31       1.624   5.264 -32.465  1.00 44.25           O
ATOM      0  H   GLY A  31       0.096   5.213 -28.596  1.00 42.12           H   new
ATOM      0  HA2 GLY A  31      -0.922   5.239 -30.597  1.00 74.32           H   new
ATOM      0  HA3 GLY A  31       0.052   6.628 -31.036  1.00 74.32           H   new
ATOM    563  N   LYS A  39      -0.561  -7.860 -24.346  1.00 75.32           N
ATOM    564  CA  LYS A  39      -0.560  -9.143 -23.652  1.00 51.42           C
ATOM    565  C   LYS A  39       0.445 -10.102 -24.283  1.00 14.41           C
ATOM    566  O   LYS A  39       1.164 -10.812 -23.581  1.00  5.45           O
ATOM    567  CB  LYS A  39      -1.959  -9.762 -23.680  1.00 31.33           C
ATOM    568  CG  LYS A  39      -2.539 -10.017 -22.299  1.00 64.40           C
ATOM    569  CD  LYS A  39      -4.056  -9.931 -22.306  1.00 63.14           C
ATOM    570  CE  LYS A  39      -4.584  -9.299 -21.028  1.00 11.21           C
ATOM    571  NZ  LYS A  39      -4.483 -10.226 -19.867  1.00 64.33           N
ATOM      0  HA  LYS A  39      -0.268  -8.968 -22.617  1.00 51.42           H   new
ATOM      0  HB2 LYS A  39      -2.629  -9.101 -24.230  1.00 31.33           H   new
ATOM      0  HB3 LYS A  39      -1.920 -10.703 -24.228  1.00 31.33           H   new
ATOM      0  HG2 LYS A  39      -2.231 -11.003 -21.951  1.00 64.40           H   new
ATOM      0  HG3 LYS A  39      -2.136  -9.290 -21.594  1.00 64.40           H   new
ATOM      0  HD2 LYS A  39      -4.384  -9.346 -23.165  1.00 63.14           H   new
ATOM      0  HD3 LYS A  39      -4.478 -10.930 -22.420  1.00 63.14           H   new
ATOM      0  HE2 LYS A  39      -4.024  -8.388 -20.815  1.00 11.21           H   new
ATOM      0  HE3 LYS A  39      -5.625  -9.007 -21.170  1.00 11.21           H   new
ATOM      0  HZ1 LYS A  39      -4.853  -9.758 -19.015  1.00 64.33           H   new
ATOM      0  HZ2 LYS A  39      -5.038 -11.084 -20.059  1.00 64.33           H   new
ATOM      0  HZ3 LYS A  39      -3.487 -10.484 -19.715  1.00 64.33           H   new
ATOM    585  N   ASP A  40       0.489 -10.116 -25.610  1.00 54.15           N
ATOM    586  CA  ASP A  40       1.407 -10.986 -26.336  1.00  2.13           C
ATOM    587  C   ASP A  40       2.841 -10.478 -26.221  1.00 62.11           C
ATOM    588  O   ASP A  40       3.784 -11.265 -26.140  1.00 72.01           O
ATOM    589  CB  ASP A  40       1.002 -11.078 -27.807  1.00 54.15           C
ATOM    590  CG  ASP A  40       0.335 -12.398 -28.143  1.00 10.50           C
ATOM    591  OD1 ASP A  40       1.054 -13.411 -28.269  1.00 43.23           O
ATOM    592  OD2 ASP A  40      -0.906 -12.417 -28.278  1.00 71.24           O
ATOM      0  H   ASP A  40      -0.101  -9.535 -26.206  1.00 54.15           H   new
ATOM      0  HA  ASP A  40       1.355 -11.980 -25.891  1.00  2.13           H   new
ATOM      0  HB2 ASP A  40       0.322 -10.260 -28.045  1.00 54.15           H   new
ATOM      0  HB3 ASP A  40       1.886 -10.951 -28.433  1.00 54.15           H   new
ATOM    597  N   MET A  41       2.998  -9.158 -26.216  1.00 75.42           N
ATOM    598  CA  MET A  41       4.317  -8.546 -26.112  1.00 11.14           C
ATOM    599  C   MET A  41       4.948  -8.843 -24.755  1.00 62.32           C
ATOM    600  O   MET A  41       6.119  -9.212 -24.674  1.00 23.12           O
ATOM    601  CB  MET A  41       4.219  -7.034 -26.321  1.00 13.40           C
ATOM    602  CG  MET A  41       4.571  -6.591 -27.732  1.00 73.40           C
ATOM    603  SD  MET A  41       3.139  -5.994 -28.650  1.00 74.24           S
ATOM    604  CE  MET A  41       3.674  -4.338 -29.074  1.00 22.24           C
ATOM      0  H   MET A  41       2.228  -8.492 -26.283  1.00 75.42           H   new
ATOM      0  HA  MET A  41       4.951  -8.973 -26.890  1.00 11.14           H   new
ATOM      0  HB2 MET A  41       3.205  -6.709 -26.089  1.00 13.40           H   new
ATOM      0  HB3 MET A  41       4.883  -6.534 -25.616  1.00 13.40           H   new
ATOM      0  HG2 MET A  41       5.322  -5.802 -27.684  1.00 73.40           H   new
ATOM      0  HG3 MET A  41       5.020  -7.426 -28.270  1.00 73.40           H   new
ATOM      0  HE1 MET A  41       2.892  -3.838 -29.646  1.00 22.24           H   new
ATOM      0  HE2 MET A  41       3.872  -3.775 -28.162  1.00 22.24           H   new
ATOM      0  HE3 MET A  41       4.583  -4.391 -29.672  1.00 22.24           H   new
ATOM    614  N   GLU A  42       4.165  -8.680 -23.694  1.00 15.11           N
ATOM    615  CA  GLU A  42       4.649  -8.930 -22.342  1.00 21.25           C
ATOM    616  C   GLU A  42       4.981 -10.407 -22.147  1.00 43.22           C
ATOM    617  O   GLU A  42       6.003 -10.751 -21.553  1.00 70.32           O
ATOM    618  CB  GLU A  42       3.605  -8.491 -21.312  1.00 63.25           C
ATOM    619  CG  GLU A  42       3.390  -6.988 -21.267  1.00  4.23           C
ATOM    620  CD  GLU A  42       2.018  -6.579 -21.765  1.00 34.34           C
ATOM    621  OE1 GLU A  42       1.077  -7.391 -21.641  1.00 73.33           O
ATOM    622  OE2 GLU A  42       1.884  -5.449 -22.277  1.00 50.35           O
ATOM      0  H   GLU A  42       3.193  -8.376 -23.745  1.00 15.11           H   new
ATOM      0  HA  GLU A  42       5.559  -8.348 -22.197  1.00 21.25           H   new
ATOM      0  HB2 GLU A  42       2.657  -8.979 -21.538  1.00 63.25           H   new
ATOM      0  HB3 GLU A  42       3.914  -8.835 -20.325  1.00 63.25           H   new
ATOM      0  HG2 GLU A  42       3.520  -6.637 -20.243  1.00  4.23           H   new
ATOM      0  HG3 GLU A  42       4.153  -6.498 -21.872  1.00  4.23           H   new
ATOM    629  N   SER A  43       4.110 -11.275 -22.652  1.00  2.30           N
ATOM    630  CA  SER A  43       4.308 -12.714 -22.531  1.00 32.34           C
ATOM    631  C   SER A  43       5.647 -13.131 -23.131  1.00 71.41           C
ATOM    632  O   SER A  43       6.373 -13.942 -22.555  1.00  4.21           O
ATOM    633  CB  SER A  43       3.169 -13.467 -23.222  1.00 44.22           C
ATOM    634  OG  SER A  43       3.266 -13.354 -24.632  1.00 32.24           O
ATOM      0  H   SER A  43       3.261 -11.006 -23.149  1.00  2.30           H   new
ATOM      0  HA  SER A  43       4.311 -12.967 -21.471  1.00 32.34           H   new
ATOM      0  HB2 SER A  43       3.197 -14.518 -22.935  1.00 44.22           H   new
ATOM      0  HB3 SER A  43       2.211 -13.071 -22.887  1.00 44.22           H   new
ATOM      0  HG  SER A  43       3.457 -12.423 -24.873  1.00 32.24           H   new
ATOM    640  N   HIS A  44       5.967 -12.572 -24.293  1.00 41.44           N
ATOM    641  CA  HIS A  44       7.219 -12.884 -24.973  1.00 62.13           C
ATOM    642  C   HIS A  44       8.416 -12.433 -24.142  1.00  2.31           C
ATOM    643  O   HIS A  44       9.380 -13.178 -23.967  1.00 30.34           O
ATOM    644  CB  HIS A  44       7.258 -12.217 -26.348  1.00 53.34           C
ATOM    645  CG  HIS A  44       8.476 -12.562 -27.148  1.00  3.02           C
ATOM    646  ND1 HIS A  44       9.235 -11.619 -27.808  1.00 43.01           N
ATOM    647  CD2 HIS A  44       9.068 -13.755 -27.390  1.00 34.33           C
ATOM    648  CE1 HIS A  44      10.240 -12.217 -28.423  1.00 72.40           C
ATOM    649  NE2 HIS A  44      10.161 -13.514 -28.185  1.00 21.24           N
ATOM      0  H   HIS A  44       5.377 -11.900 -24.784  1.00 41.44           H   new
ATOM      0  HA  HIS A  44       7.274 -13.965 -25.101  1.00 62.13           H   new
ATOM      0  HB2 HIS A  44       6.370 -12.509 -26.909  1.00 53.34           H   new
ATOM      0  HB3 HIS A  44       7.213 -11.136 -26.219  1.00 53.34           H   new
ATOM      0  HD2 HIS A  44       8.741 -14.718 -27.025  1.00 34.33           H   new
ATOM      0  HE1 HIS A  44      10.997 -11.729 -29.019  1.00 72.40           H   new
ATOM      0  HE2 HIS A  44      10.807 -14.221 -28.535  1.00 21.24           H   new
ATOM    657  N   VAL A  45       8.348 -11.207 -23.633  1.00  4.34           N
ATOM    658  CA  VAL A  45       9.426 -10.656 -22.820  1.00  0.15           C
ATOM    659  C   VAL A  45       9.745 -11.567 -21.640  1.00 23.32           C
ATOM    660  O   VAL A  45      10.911 -11.818 -21.333  1.00 70.41           O
ATOM    661  CB  VAL A  45       9.069  -9.254 -22.290  1.00 23.55           C
ATOM    662  CG1 VAL A  45      10.263  -8.631 -21.581  1.00 74.52           C
ATOM    663  CG2 VAL A  45       8.587  -8.363 -23.424  1.00 62.10           C
ATOM      0  H   VAL A  45       7.558 -10.576 -23.769  1.00  4.34           H   new
ATOM      0  HA  VAL A  45      10.302 -10.581 -23.465  1.00  0.15           H   new
ATOM      0  HB  VAL A  45       8.259  -9.353 -21.567  1.00 23.55           H   new
ATOM      0 HG11 VAL A  45       9.992  -7.641 -21.213  1.00 74.52           H   new
ATOM      0 HG12 VAL A  45      10.558  -9.262 -20.742  1.00 74.52           H   new
ATOM      0 HG13 VAL A  45      11.096  -8.543 -22.279  1.00 74.52           H   new
ATOM      0 HG21 VAL A  45       8.339  -7.377 -23.032  1.00 62.10           H   new
ATOM      0 HG22 VAL A  45       9.374  -8.269 -24.172  1.00 62.10           H   new
ATOM      0 HG23 VAL A  45       7.702  -8.804 -23.882  1.00 62.10           H   new
ATOM    673  N   PHE A  46       8.702 -12.061 -20.981  1.00 50.22           N
ATOM    674  CA  PHE A  46       8.871 -12.945 -19.834  1.00 13.12           C
ATOM    675  C   PHE A  46       9.617 -14.215 -20.231  1.00 75.42           C
ATOM    676  O   PHE A  46      10.705 -14.493 -19.727  1.00 24.41           O
ATOM    677  CB  PHE A  46       7.509 -13.305 -19.236  1.00 60.21           C
ATOM    678  CG  PHE A  46       7.584 -13.763 -17.808  1.00 33.53           C
ATOM    679  CD1 PHE A  46       8.055 -15.029 -17.496  1.00 13.42           C
ATOM    680  CD2 PHE A  46       7.182 -12.929 -16.777  1.00 23.12           C
ATOM    681  CE1 PHE A  46       8.125 -15.453 -16.182  1.00 61.33           C
ATOM    682  CE2 PHE A  46       7.251 -13.348 -15.462  1.00 32.24           C
ATOM    683  CZ  PHE A  46       7.722 -14.612 -15.164  1.00 75.20           C
ATOM      0  H   PHE A  46       7.731 -11.864 -21.222  1.00 50.22           H   new
ATOM      0  HA  PHE A  46       9.461 -12.418 -19.084  1.00 13.12           H   new
ATOM      0  HB2 PHE A  46       6.853 -12.436 -19.297  1.00 60.21           H   new
ATOM      0  HB3 PHE A  46       7.053 -14.091 -19.838  1.00 60.21           H   new
ATOM      0  HD1 PHE A  46       8.371 -15.691 -18.288  1.00 13.42           H   new
ATOM      0  HD2 PHE A  46       6.811 -11.941 -17.004  1.00 23.12           H   new
ATOM      0  HE1 PHE A  46       8.495 -16.441 -15.952  1.00 61.33           H   new
ATOM      0  HE2 PHE A  46       6.937 -12.687 -14.667  1.00 32.24           H   new
ATOM      0  HZ  PHE A  46       7.775 -14.942 -14.137  1.00 75.20           H   new
ATOM    693  N   LEU A  47       9.023 -14.984 -21.138  1.00 13.51           N
ATOM    694  CA  LEU A  47       9.629 -16.226 -21.604  1.00  4.31           C
ATOM    695  C   LEU A  47      11.016 -15.970 -22.186  1.00 52.32           C
ATOM    696  O   LEU A  47      11.859 -16.866 -22.229  1.00 33.12           O
ATOM    697  CB  LEU A  47       8.737 -16.889 -22.654  1.00 62.42           C
ATOM    698  CG  LEU A  47       7.536 -17.669 -22.119  1.00 14.24           C
ATOM    699  CD1 LEU A  47       6.369 -17.585 -23.091  1.00 30.44           C
ATOM    700  CD2 LEU A  47       7.914 -19.120 -21.859  1.00 54.24           C
ATOM      0  H   LEU A  47       8.122 -14.769 -21.565  1.00 13.51           H   new
ATOM      0  HA  LEU A  47       9.732 -16.895 -20.749  1.00  4.31           H   new
ATOM      0  HB2 LEU A  47       8.371 -16.117 -23.331  1.00 62.42           H   new
ATOM      0  HB3 LEU A  47       9.351 -17.567 -23.247  1.00 62.42           H   new
ATOM      0  HG  LEU A  47       7.228 -17.221 -21.174  1.00 14.24           H   new
ATOM      0 HD11 LEU A  47       5.523 -18.146 -22.693  1.00 30.44           H   new
ATOM      0 HD12 LEU A  47       6.082 -16.542 -23.225  1.00 30.44           H   new
ATOM      0 HD13 LEU A  47       6.665 -18.007 -24.052  1.00 30.44           H   new
ATOM      0 HD21 LEU A  47       7.047 -19.659 -21.479  1.00 54.24           H   new
ATOM      0 HD22 LEU A  47       8.249 -19.581 -22.788  1.00 54.24           H   new
ATOM      0 HD23 LEU A  47       8.718 -19.160 -21.124  1.00 54.24           H   new
ATOM    712  N   LYS A  48      11.246 -14.740 -22.632  1.00 45.52           N
ATOM    713  CA  LYS A  48      12.531 -14.363 -23.209  1.00  5.30           C
ATOM    714  C   LYS A  48      13.522 -13.966 -22.119  1.00 31.32           C
ATOM    715  O   LYS A  48      14.735 -14.029 -22.317  1.00 11.52           O
ATOM    716  CB  LYS A  48      12.352 -13.206 -24.195  1.00 12.13           C
ATOM    717  CG  LYS A  48      13.641 -12.782 -24.876  1.00 42.33           C
ATOM    718  CD  LYS A  48      13.374 -12.155 -26.234  1.00 52.33           C
ATOM    719  CE  LYS A  48      14.592 -11.405 -26.752  1.00 11.04           C
ATOM    720  NZ  LYS A  48      14.647 -11.395 -28.240  1.00 33.33           N
ATOM      0  H   LYS A  48      10.559 -13.987 -22.605  1.00 45.52           H   new
ATOM      0  HA  LYS A  48      12.929 -15.227 -23.741  1.00  5.30           H   new
ATOM      0  HB2 LYS A  48      11.628 -13.497 -24.956  1.00 12.13           H   new
ATOM      0  HB3 LYS A  48      11.932 -12.351 -23.666  1.00 12.13           H   new
ATOM      0  HG2 LYS A  48      14.171 -12.070 -24.243  1.00 42.33           H   new
ATOM      0  HG3 LYS A  48      14.292 -13.648 -24.996  1.00 42.33           H   new
ATOM      0  HD2 LYS A  48      13.094 -12.932 -26.946  1.00 52.33           H   new
ATOM      0  HD3 LYS A  48      12.529 -11.471 -26.160  1.00 52.33           H   new
ATOM      0  HE2 LYS A  48      14.571 -10.380 -26.383  1.00 11.04           H   new
ATOM      0  HE3 LYS A  48      15.497 -11.867 -26.358  1.00 11.04           H   new
ATOM      0  HZ1 LYS A  48      15.491 -10.874 -28.553  1.00 33.33           H   new
ATOM      0  HZ2 LYS A  48      14.693 -12.372 -28.592  1.00 33.33           H   new
ATOM      0  HZ3 LYS A  48      13.795 -10.931 -28.616  1.00 33.33           H   new
ATOM    734  N   ALA A  49      12.997 -13.560 -20.968  1.00 34.35           N
ATOM    735  CA  ALA A  49      13.835 -13.158 -19.845  1.00 51.42           C
ATOM    736  C   ALA A  49      14.291 -14.368 -19.038  1.00 71.53           C
ATOM    737  O   ALA A  49      13.652 -15.421 -19.064  1.00  4.15           O
ATOM    738  CB  ALA A  49      13.087 -12.178 -18.953  1.00 44.51           C
ATOM      0  H   ALA A  49      11.995 -13.501 -20.789  1.00 34.35           H   new
ATOM      0  HA  ALA A  49      14.722 -12.666 -20.244  1.00 51.42           H   new
ATOM      0  HB1 ALA A  49      13.724 -11.886 -18.118  1.00 44.51           H   new
ATOM      0  HB2 ALA A  49      12.817 -11.294 -19.530  1.00 44.51           H   new
ATOM      0  HB3 ALA A  49      12.183 -12.651 -18.571  1.00 44.51           H   new
ATOM    744  N   LYS A  50      15.400 -14.213 -18.323  1.00 71.40           N
ATOM    745  CA  LYS A  50      15.942 -15.294 -17.507  1.00 42.45           C
ATOM    746  C   LYS A  50      15.684 -15.039 -16.026  1.00  3.11           C
ATOM    747  O   LYS A  50      15.631 -15.972 -15.224  1.00 60.43           O
ATOM    748  CB  LYS A  50      17.445 -15.443 -17.756  1.00 52.01           C
ATOM    749  CG  LYS A  50      17.797 -16.600 -18.676  1.00  2.55           C
ATOM    750  CD  LYS A  50      18.682 -16.148 -19.825  1.00 63.32           C
ATOM    751  CE  LYS A  50      20.131 -15.999 -19.388  1.00 24.23           C
ATOM    752  NZ  LYS A  50      20.700 -14.683 -19.791  1.00 20.31           N
ATOM      0  H   LYS A  50      15.941 -13.349 -18.292  1.00 71.40           H   new
ATOM      0  HA  LYS A  50      15.439 -16.218 -17.791  1.00 42.45           H   new
ATOM      0  HB2 LYS A  50      17.827 -14.518 -18.187  1.00 52.01           H   new
ATOM      0  HB3 LYS A  50      17.951 -15.582 -16.801  1.00 52.01           H   new
ATOM      0  HG2 LYS A  50      18.307 -17.377 -18.106  1.00  2.55           H   new
ATOM      0  HG3 LYS A  50      16.883 -17.043 -19.072  1.00  2.55           H   new
ATOM      0  HD2 LYS A  50      18.619 -16.870 -20.640  1.00 63.32           H   new
ATOM      0  HD3 LYS A  50      18.318 -15.197 -20.213  1.00 63.32           H   new
ATOM      0  HE2 LYS A  50      20.197 -16.107 -18.305  1.00 24.23           H   new
ATOM      0  HE3 LYS A  50      20.726 -16.801 -19.825  1.00 24.23           H   new
ATOM      0  HZ1 LYS A  50      21.555 -14.489 -19.232  1.00 20.31           H   new
ATOM      0  HZ2 LYS A  50      20.944 -14.705 -20.802  1.00 20.31           H   new
ATOM      0  HZ3 LYS A  50      19.998 -13.935 -19.621  1.00 20.31           H   new
ATOM    766  N   THR A  51      15.523 -13.769 -15.667  1.00 40.25           N
ATOM    767  CA  THR A  51      15.270 -13.392 -14.283  1.00  2.43           C
ATOM    768  C   THR A  51      14.427 -12.124 -14.203  1.00 73.32           C
ATOM    769  O   THR A  51      14.170 -11.474 -15.216  1.00 43.43           O
ATOM    770  CB  THR A  51      16.585 -13.168 -13.512  1.00 62.51           C
ATOM    771  OG1 THR A  51      17.297 -12.058 -14.069  1.00 61.03           O
ATOM    772  CG2 THR A  51      17.458 -14.413 -13.560  1.00 65.14           C
ATOM      0  H   THR A  51      15.564 -12.984 -16.317  1.00 40.25           H   new
ATOM      0  HA  THR A  51      14.725 -14.218 -13.826  1.00  2.43           H   new
ATOM      0  HB  THR A  51      16.339 -12.955 -12.472  1.00 62.51           H   new
ATOM      0  HG1 THR A  51      18.131 -11.921 -13.572  1.00 61.03           H   new
ATOM      0 HG21 THR A  51      18.381 -14.232 -13.009  1.00 65.14           H   new
ATOM      0 HG22 THR A  51      16.924 -15.249 -13.108  1.00 65.14           H   new
ATOM      0 HG23 THR A  51      17.695 -14.651 -14.597  1.00 65.14           H   new
ATOM    780  N   ARG A  52      13.998 -11.779 -12.993  1.00 64.05           N
ATOM    781  CA  ARG A  52      13.183 -10.589 -12.783  1.00 31.05           C
ATOM    782  C   ARG A  52      13.878  -9.348 -13.336  1.00 21.52           C
ATOM    783  O   ARG A  52      13.226  -8.367 -13.693  1.00 65.04           O
ATOM    784  CB  ARG A  52      12.892 -10.402 -11.292  1.00 51.34           C
ATOM    785  CG  ARG A  52      14.137 -10.159 -10.455  1.00 13.14           C
ATOM    786  CD  ARG A  52      14.063 -10.889  -9.123  1.00 21.41           C
ATOM    787  NE  ARG A  52      14.991 -10.333  -8.142  1.00 31.44           N
ATOM    788  CZ  ARG A  52      15.412 -10.997  -7.071  1.00  3.54           C
ATOM    789  NH1 ARG A  52      14.991 -12.233  -6.844  1.00 65.34           N
ATOM    790  NH2 ARG A  52      16.257 -10.423  -6.223  1.00 41.34           N
ATOM      0  H   ARG A  52      14.201 -12.307 -12.144  1.00 64.05           H   new
ATOM      0  HA  ARG A  52      12.242 -10.725 -13.317  1.00 31.05           H   new
ATOM      0  HB2 ARG A  52      12.210  -9.561 -11.166  1.00 51.34           H   new
ATOM      0  HB3 ARG A  52      12.379 -11.287 -10.917  1.00 51.34           H   new
ATOM      0  HG2 ARG A  52      15.017 -10.491 -11.005  1.00 13.14           H   new
ATOM      0  HG3 ARG A  52      14.256  -9.090 -10.279  1.00 13.14           H   new
ATOM      0  HD2 ARG A  52      13.046 -10.831  -8.734  1.00 21.41           H   new
ATOM      0  HD3 ARG A  52      14.286 -11.945  -9.275  1.00 21.41           H   new
ATOM      0  HE  ARG A  52      15.335  -9.384  -8.287  1.00 31.44           H   new
ATOM      0 HH11 ARG A  52      14.342 -12.678  -7.493  1.00 65.34           H   new
ATOM      0 HH12 ARG A  52      15.317 -12.740  -6.021  1.00 65.34           H   new
ATOM      0 HH21 ARG A  52      16.583  -9.472  -6.394  1.00 41.34           H   new
ATOM      0 HH22 ARG A  52      16.580 -10.933  -5.401  1.00 41.34           H   new
ATOM    804  N   ASP A  53      15.204  -9.400 -13.403  1.00 32.04           N
ATOM    805  CA  ASP A  53      15.988  -8.281 -13.913  1.00 32.13           C
ATOM    806  C   ASP A  53      15.879  -8.189 -15.431  1.00 51.15           C
ATOM    807  O   ASP A  53      15.578  -7.128 -15.978  1.00 32.31           O
ATOM    808  CB  ASP A  53      17.454  -8.429 -13.502  1.00 53.40           C
ATOM    809  CG  ASP A  53      18.357  -7.440 -14.214  1.00 35.33           C
ATOM    810  OD1 ASP A  53      18.052  -6.230 -14.182  1.00 51.21           O
ATOM    811  OD2 ASP A  53      19.367  -7.877 -14.803  1.00 63.41           O
ATOM      0  H   ASP A  53      15.758 -10.205 -13.111  1.00 32.04           H   new
ATOM      0  HA  ASP A  53      15.589  -7.363 -13.482  1.00 32.13           H   new
ATOM      0  HB2 ASP A  53      17.543  -8.287 -12.425  1.00 53.40           H   new
ATOM      0  HB3 ASP A  53      17.789  -9.443 -13.719  1.00 53.40           H   new
ATOM    816  N   GLU A  54      16.127  -9.307 -16.107  1.00  1.05           N
ATOM    817  CA  GLU A  54      16.059  -9.351 -17.562  1.00 55.45           C
ATOM    818  C   GLU A  54      14.730  -8.791 -18.062  1.00 15.14           C
ATOM    819  O   GLU A  54      14.696  -7.946 -18.956  1.00 43.42           O
ATOM    820  CB  GLU A  54      16.239 -10.786 -18.061  1.00  4.11           C
ATOM    821  CG  GLU A  54      16.525 -10.881 -19.550  1.00 63.52           C
ATOM    822  CD  GLU A  54      17.291 -12.137 -19.918  1.00 24.53           C
ATOM    823  OE1 GLU A  54      18.237 -12.491 -19.182  1.00 71.44           O
ATOM    824  OE2 GLU A  54      16.946 -12.766 -20.940  1.00  1.02           O
ATOM      0  H   GLU A  54      16.377 -10.194 -15.669  1.00  1.05           H   new
ATOM      0  HA  GLU A  54      16.866  -8.733 -17.956  1.00 55.45           H   new
ATOM      0  HB2 GLU A  54      17.057 -11.253 -17.512  1.00  4.11           H   new
ATOM      0  HB3 GLU A  54      15.338 -11.356 -17.836  1.00  4.11           H   new
ATOM      0  HG2 GLU A  54      15.584 -10.860 -20.099  1.00 63.52           H   new
ATOM      0  HG3 GLU A  54      17.096 -10.007 -19.863  1.00 63.52           H   new
ATOM    831  N   TYR A  55      13.637  -9.269 -17.477  1.00 55.23           N
ATOM    832  CA  TYR A  55      12.304  -8.819 -17.864  1.00 25.21           C
ATOM    833  C   TYR A  55      12.123  -7.334 -17.565  1.00 75.21           C
ATOM    834  O   TYR A  55      11.859  -6.535 -18.465  1.00 22.31           O
ATOM    835  CB  TYR A  55      11.236  -9.633 -17.131  1.00 42.24           C
ATOM    836  CG  TYR A  55       9.838  -9.079 -17.291  1.00 23.14           C
ATOM    837  CD1 TYR A  55       9.103  -9.318 -18.445  1.00 34.51           C
ATOM    838  CD2 TYR A  55       9.253  -8.316 -16.288  1.00  5.13           C
ATOM    839  CE1 TYR A  55       7.825  -8.814 -18.595  1.00 62.12           C
ATOM    840  CE2 TYR A  55       7.976  -7.809 -16.429  1.00  3.23           C
ATOM    841  CZ  TYR A  55       7.266  -8.060 -17.584  1.00 64.43           C
ATOM    842  OH  TYR A  55       5.994  -7.556 -17.729  1.00 44.22           O
ATOM      0  H   TYR A  55      13.647  -9.967 -16.734  1.00 55.23           H   new
ATOM      0  HA  TYR A  55      12.193  -8.971 -18.938  1.00 25.21           H   new
ATOM      0  HB2 TYR A  55      11.256 -10.659 -17.500  1.00 42.24           H   new
ATOM      0  HB3 TYR A  55      11.484  -9.671 -16.070  1.00 42.24           H   new
ATOM      0  HD1 TYR A  55       9.538  -9.908 -19.239  1.00 34.51           H   new
ATOM      0  HD2 TYR A  55       9.806  -8.116 -15.382  1.00  5.13           H   new
ATOM      0  HE1 TYR A  55       7.267  -9.009 -19.499  1.00 62.12           H   new
ATOM      0  HE2 TYR A  55       7.536  -7.219 -15.639  1.00  3.23           H   new
ATOM      0  HH  TYR A  55       6.024  -6.748 -18.282  1.00 44.22           H   new
ATOM    852  N   LEU A  56      12.265  -6.971 -16.295  1.00 64.42           N
ATOM    853  CA  LEU A  56      12.118  -5.582 -15.875  1.00 60.13           C
ATOM    854  C   LEU A  56      12.972  -4.659 -16.739  1.00 13.24           C
ATOM    855  O   LEU A  56      12.622  -3.499 -16.958  1.00 61.13           O
ATOM    856  CB  LEU A  56      12.509  -5.429 -14.404  1.00 72.23           C
ATOM    857  CG  LEU A  56      11.402  -5.700 -13.384  1.00 64.32           C
ATOM    858  CD1 LEU A  56      11.991  -6.238 -12.089  1.00 74.41           C
ATOM    859  CD2 LEU A  56      10.598  -4.436 -13.122  1.00 15.23           C
ATOM      0  H   LEU A  56      12.482  -7.619 -15.538  1.00 64.42           H   new
ATOM      0  HA  LEU A  56      11.072  -5.300 -15.998  1.00 60.13           H   new
ATOM      0  HB2 LEU A  56      13.339  -6.104 -14.197  1.00 72.23           H   new
ATOM      0  HB3 LEU A  56      12.877  -4.415 -14.250  1.00 72.23           H   new
ATOM      0  HG  LEU A  56      10.731  -6.454 -13.795  1.00 64.32           H   new
ATOM      0 HD11 LEU A  56      11.189  -6.425 -11.375  1.00 74.41           H   new
ATOM      0 HD12 LEU A  56      12.523  -7.168 -12.290  1.00 74.41           H   new
ATOM      0 HD13 LEU A  56      12.684  -5.507 -11.673  1.00 74.41           H   new
ATOM      0 HD21 LEU A  56       9.815  -4.647 -12.394  1.00 15.23           H   new
ATOM      0 HD22 LEU A  56      11.257  -3.660 -12.732  1.00 15.23           H   new
ATOM      0 HD23 LEU A  56      10.145  -4.093 -14.052  1.00 15.23           H   new
ATOM    871  N   SER A  57      14.092  -5.182 -17.227  1.00 54.04           N
ATOM    872  CA  SER A  57      14.996  -4.404 -18.066  1.00 23.21           C
ATOM    873  C   SER A  57      14.416  -4.219 -19.465  1.00 22.12           C
ATOM    874  O   SER A  57      14.253  -3.094 -19.938  1.00 51.31           O
ATOM    875  CB  SER A  57      16.361  -5.091 -18.154  1.00 13.41           C
ATOM    876  OG  SER A  57      17.332  -4.225 -18.715  1.00 51.34           O
ATOM      0  H   SER A  57      14.395  -6.141 -17.056  1.00 54.04           H   new
ATOM      0  HA  SER A  57      15.120  -3.421 -17.611  1.00 23.21           H   new
ATOM      0  HB2 SER A  57      16.679  -5.404 -17.159  1.00 13.41           H   new
ATOM      0  HB3 SER A  57      16.279  -5.993 -18.761  1.00 13.41           H   new
ATOM      0  HG  SER A  57      18.195  -4.686 -18.759  1.00 51.34           H   new
ATOM    882  N   LEU A  58      14.107  -5.331 -20.122  1.00 33.53           N
ATOM    883  CA  LEU A  58      13.544  -5.294 -21.467  1.00 44.03           C
ATOM    884  C   LEU A  58      12.229  -4.521 -21.487  1.00 23.44           C
ATOM    885  O   LEU A  58      11.931  -3.806 -22.443  1.00 44.11           O
ATOM    886  CB  LEU A  58      13.322  -6.715 -21.988  1.00 50.01           C
ATOM    887  CG  LEU A  58      14.580  -7.561 -22.190  1.00 11.44           C
ATOM    888  CD1 LEU A  58      14.239  -8.866 -22.891  1.00 33.45           C
ATOM    889  CD2 LEU A  58      15.623  -6.785 -22.981  1.00 52.11           C
ATOM      0  H   LEU A  58      14.237  -6.270 -19.745  1.00 33.53           H   new
ATOM      0  HA  LEU A  58      14.254  -4.782 -22.117  1.00 44.03           H   new
ATOM      0  HB2 LEU A  58      12.665  -7.237 -21.292  1.00 50.01           H   new
ATOM      0  HB3 LEU A  58      12.794  -6.653 -22.939  1.00 50.01           H   new
ATOM      0  HG  LEU A  58      14.997  -7.797 -21.211  1.00 11.44           H   new
ATOM      0 HD11 LEU A  58      15.147  -9.454 -23.026  1.00 33.45           H   new
ATOM      0 HD12 LEU A  58      13.528  -9.429 -22.286  1.00 33.45           H   new
ATOM      0 HD13 LEU A  58      13.797  -8.652 -23.864  1.00 33.45           H   new
ATOM      0 HD21 LEU A  58      16.511  -7.402 -23.115  1.00 52.11           H   new
ATOM      0 HD22 LEU A  58      15.216  -6.518 -23.956  1.00 52.11           H   new
ATOM      0 HD23 LEU A  58      15.890  -5.878 -22.439  1.00 52.11           H   new
ATOM    901  N   VAL A  59      11.446  -4.669 -20.423  1.00 23.34           N
ATOM    902  CA  VAL A  59      10.164  -3.983 -20.315  1.00 64.04           C
ATOM    903  C   VAL A  59      10.352  -2.471 -20.279  1.00  1.51           C
ATOM    904  O   VAL A  59       9.787  -1.745 -21.096  1.00 53.22           O
ATOM    905  CB  VAL A  59       9.395  -4.424 -19.056  1.00 61.31           C
ATOM    906  CG1 VAL A  59       8.100  -3.638 -18.918  1.00 62.24           C
ATOM    907  CG2 VAL A  59       9.119  -5.920 -19.098  1.00 13.41           C
ATOM      0  H   VAL A  59      11.677  -5.258 -19.623  1.00 23.34           H   new
ATOM      0  HA  VAL A  59       9.585  -4.254 -21.198  1.00 64.04           H   new
ATOM      0  HB  VAL A  59      10.013  -4.216 -18.182  1.00 61.31           H   new
ATOM      0 HG11 VAL A  59       7.570  -3.964 -18.023  1.00 62.24           H   new
ATOM      0 HG12 VAL A  59       8.326  -2.575 -18.839  1.00 62.24           H   new
ATOM      0 HG13 VAL A  59       7.474  -3.812 -19.793  1.00 62.24           H   new
ATOM      0 HG21 VAL A  59       8.575  -6.215 -18.201  1.00 13.41           H   new
ATOM      0 HG22 VAL A  59       8.521  -6.155 -19.979  1.00 13.41           H   new
ATOM      0 HG23 VAL A  59      10.063  -6.463 -19.145  1.00 13.41           H   new
ATOM    917  N   ALA A  60      11.151  -2.002 -19.326  1.00 13.34           N
ATOM    918  CA  ALA A  60      11.415  -0.575 -19.184  1.00 25.41           C
ATOM    919  C   ALA A  60      11.820   0.043 -20.518  1.00 13.12           C
ATOM    920  O   ALA A  60      11.202   1.002 -20.981  1.00 11.25           O
ATOM    921  CB  ALA A  60      12.499  -0.341 -18.141  1.00 55.33           C
ATOM      0  H   ALA A  60      11.627  -2.589 -18.641  1.00 13.34           H   new
ATOM      0  HA  ALA A  60      10.496  -0.091 -18.853  1.00 25.41           H   new
ATOM      0  HB1 ALA A  60      12.687   0.728 -18.045  1.00 55.33           H   new
ATOM      0  HB2 ALA A  60      12.172  -0.740 -17.181  1.00 55.33           H   new
ATOM      0  HB3 ALA A  60      13.416  -0.844 -18.450  1.00 55.33           H   new
ATOM    927  N   ARG A  61      12.860  -0.511 -21.131  1.00 25.33           N
ATOM    928  CA  ARG A  61      13.348  -0.012 -22.411  1.00 20.32           C
ATOM    929  C   ARG A  61      12.206   0.114 -23.415  1.00 45.44           C
ATOM    930  O   ARG A  61      12.097   1.116 -24.124  1.00 62.12           O
ATOM    931  CB  ARG A  61      14.429  -0.941 -22.966  1.00 24.10           C
ATOM    932  CG  ARG A  61      15.803  -0.296 -23.047  1.00 63.11           C
ATOM    933  CD  ARG A  61      16.592  -0.814 -24.240  1.00  2.14           C
ATOM    934  NE  ARG A  61      18.019  -0.919 -23.948  1.00 23.22           N
ATOM    935  CZ  ARG A  61      18.885  -1.550 -24.733  1.00 45.31           C
ATOM    936  NH1 ARG A  61      18.472  -2.128 -25.852  1.00 53.43           N
ATOM    937  NH2 ARG A  61      20.169  -1.602 -24.400  1.00 33.53           N
ATOM      0  H   ARG A  61      13.382  -1.306 -20.762  1.00 25.33           H   new
ATOM      0  HA  ARG A  61      13.777   0.977 -22.248  1.00 20.32           H   new
ATOM      0  HB2 ARG A  61      14.490  -1.829 -22.337  1.00 24.10           H   new
ATOM      0  HB3 ARG A  61      14.134  -1.274 -23.961  1.00 24.10           H   new
ATOM      0  HG2 ARG A  61      15.694   0.786 -23.123  1.00 63.11           H   new
ATOM      0  HG3 ARG A  61      16.355  -0.497 -22.129  1.00 63.11           H   new
ATOM      0  HD2 ARG A  61      16.209  -1.792 -24.531  1.00  2.14           H   new
ATOM      0  HD3 ARG A  61      16.444  -0.148 -25.090  1.00  2.14           H   new
ATOM      0  HE  ARG A  61      18.370  -0.484 -23.095  1.00 23.22           H   new
ATOM      0 HH11 ARG A  61      17.487  -2.089 -26.113  1.00 53.43           H   new
ATOM      0 HH12 ARG A  61      19.140  -2.612 -26.453  1.00 53.43           H   new
ATOM      0 HH21 ARG A  61      20.491  -1.157 -23.541  1.00 33.53           H   new
ATOM      0 HH22 ARG A  61      20.833  -2.087 -25.004  1.00 33.53           H   new
ATOM    951  N   LEU A  62      11.359  -0.907 -23.471  1.00 52.25           N
ATOM    952  CA  LEU A  62      10.225  -0.911 -24.390  1.00  1.54           C
ATOM    953  C   LEU A  62       9.298   0.270 -24.115  1.00 65.34           C
ATOM    954  O   LEU A  62       8.971   1.037 -25.021  1.00 11.53           O
ATOM    955  CB  LEU A  62       9.448  -2.223 -24.267  1.00  5.42           C
ATOM    956  CG  LEU A  62       8.153  -2.314 -25.074  1.00 40.10           C
ATOM    957  CD1 LEU A  62       8.103  -3.616 -25.858  1.00 30.34           C
ATOM    958  CD2 LEU A  62       6.944  -2.194 -24.158  1.00  1.13           C
ATOM      0  H   LEU A  62      11.435  -1.743 -22.891  1.00 52.25           H   new
ATOM      0  HA  LEU A  62      10.611  -0.818 -25.405  1.00  1.54           H   new
ATOM      0  HB2 LEU A  62      10.102  -3.039 -24.574  1.00  5.42           H   new
ATOM      0  HB3 LEU A  62       9.209  -2.384 -23.216  1.00  5.42           H   new
ATOM      0  HG  LEU A  62       8.130  -1.486 -25.783  1.00 40.10           H   new
ATOM      0 HD11 LEU A  62       7.174  -3.663 -26.426  1.00 30.34           H   new
ATOM      0 HD12 LEU A  62       8.950  -3.661 -26.543  1.00 30.34           H   new
ATOM      0 HD13 LEU A  62       8.149  -4.458 -25.168  1.00 30.34           H   new
ATOM      0 HD21 LEU A  62       6.031  -2.261 -24.750  1.00  1.13           H   new
ATOM      0 HD22 LEU A  62       6.961  -3.001 -23.425  1.00  1.13           H   new
ATOM      0 HD23 LEU A  62       6.972  -1.234 -23.642  1.00  1.13           H   new
ATOM    970  N   ILE A  63       8.881   0.409 -22.862  1.00 24.14           N
ATOM    971  CA  ILE A  63       7.996   1.498 -22.468  1.00 74.51           C
ATOM    972  C   ILE A  63       8.622   2.854 -22.774  1.00 30.20           C
ATOM    973  O   ILE A  63       7.988   3.720 -23.378  1.00 33.43           O
ATOM    974  CB  ILE A  63       7.652   1.430 -20.968  1.00 61.24           C
ATOM    975  CG1 ILE A  63       6.668   0.290 -20.699  1.00 73.23           C
ATOM    976  CG2 ILE A  63       7.076   2.757 -20.496  1.00 63.44           C
ATOM    977  CD1 ILE A  63       6.400   0.057 -19.229  1.00 13.22           C
ATOM      0  H   ILE A  63       9.142  -0.219 -22.102  1.00 24.14           H   new
ATOM      0  HA  ILE A  63       7.080   1.385 -23.048  1.00 74.51           H   new
ATOM      0  HB  ILE A  63       8.567   1.234 -20.409  1.00 61.24           H   new
ATOM      0 HG12 ILE A  63       5.726   0.508 -21.202  1.00 73.23           H   new
ATOM      0 HG13 ILE A  63       7.059  -0.628 -21.139  1.00 73.23           H   new
ATOM      0 HG21 ILE A  63       6.838   2.693 -19.434  1.00 63.44           H   new
ATOM      0 HG22 ILE A  63       7.807   3.549 -20.657  1.00 63.44           H   new
ATOM      0 HG23 ILE A  63       6.169   2.981 -21.058  1.00 63.44           H   new
ATOM      0 HD11 ILE A  63       5.694  -0.765 -19.114  1.00 13.22           H   new
ATOM      0 HD12 ILE A  63       7.333  -0.193 -18.724  1.00 13.22           H   new
ATOM      0 HD13 ILE A  63       5.979   0.961 -18.788  1.00 13.22           H   new
ATOM    989  N   ILE A  64       9.870   3.031 -22.355  1.00 64.30           N
ATOM    990  CA  ILE A  64      10.584   4.281 -22.587  1.00 34.41           C
ATOM    991  C   ILE A  64      10.632   4.618 -24.073  1.00 52.41           C
ATOM    992  O   ILE A  64      10.338   5.745 -24.475  1.00 21.13           O
ATOM    993  CB  ILE A  64      12.022   4.218 -22.039  1.00 53.22           C
ATOM    994  CG1 ILE A  64      12.005   4.114 -20.513  1.00 22.32           C
ATOM    995  CG2 ILE A  64      12.811   5.440 -22.483  1.00 41.54           C
ATOM    996  CD1 ILE A  64      12.949   3.064 -19.969  1.00 12.02           C
ATOM      0  H   ILE A  64      10.408   2.325 -21.853  1.00 64.30           H   new
ATOM      0  HA  ILE A  64      10.036   5.061 -22.057  1.00 34.41           H   new
ATOM      0  HB  ILE A  64      12.510   3.329 -22.440  1.00 53.22           H   new
ATOM      0 HG12 ILE A  64      12.268   5.083 -20.088  1.00 22.32           H   new
ATOM      0 HG13 ILE A  64      10.991   3.886 -20.184  1.00 22.32           H   new
ATOM      0 HG21 ILE A  64      13.825   5.381 -22.088  1.00 41.54           H   new
ATOM      0 HG22 ILE A  64      12.847   5.474 -23.572  1.00 41.54           H   new
ATOM      0 HG23 ILE A  64      12.327   6.342 -22.108  1.00 41.54           H   new
ATOM      0 HD11 ILE A  64      12.885   3.046 -18.881  1.00 12.02           H   new
ATOM      0 HD12 ILE A  64      12.674   2.087 -20.365  1.00 12.02           H   new
ATOM      0 HD13 ILE A  64      13.970   3.302 -20.268  1.00 12.02           H   new
ATOM   1008  N   HIS A  65      11.003   3.635 -24.886  1.00 72.54           N
ATOM   1009  CA  HIS A  65      11.087   3.827 -26.330  1.00 21.52           C
ATOM   1010  C   HIS A  65       9.752   4.305 -26.893  1.00 64.01           C
ATOM   1011  O   HIS A  65       9.713   5.098 -27.834  1.00 75.01           O
ATOM   1012  CB  HIS A  65      11.506   2.525 -27.015  1.00  2.50           C
ATOM   1013  CG  HIS A  65      12.552   2.714 -28.070  1.00 44.20           C
ATOM   1014  ND1 HIS A  65      13.707   1.963 -28.128  1.00 21.33           N
ATOM   1015  CD2 HIS A  65      12.613   3.574 -29.113  1.00 55.43           C
ATOM   1016  CE1 HIS A  65      14.433   2.354 -29.160  1.00 21.22           C
ATOM   1017  NE2 HIS A  65      13.791   3.330 -29.775  1.00 11.52           N
ATOM      0  H   HIS A  65      11.250   2.697 -24.570  1.00 72.54           H   new
ATOM      0  HA  HIS A  65      11.839   4.591 -26.527  1.00 21.52           H   new
ATOM      0  HB2 HIS A  65      11.882   1.832 -26.262  1.00  2.50           H   new
ATOM      0  HB3 HIS A  65      10.628   2.061 -27.464  1.00  2.50           H   new
ATOM      0  HD2 HIS A  65      11.872   4.315 -29.376  1.00 55.43           H   new
ATOM      0  HE1 HIS A  65      15.389   1.945 -29.451  1.00 21.22           H   new
ATOM      0  HE2 HIS A  65      14.117   3.823 -30.607  1.00 11.52           H   new
ATOM   1025  N   PHE A  66       8.661   3.817 -26.312  1.00  4.31           N
ATOM   1026  CA  PHE A  66       7.325   4.194 -26.757  1.00 73.30           C
ATOM   1027  C   PHE A  66       7.046   5.664 -26.457  1.00 74.45           C
ATOM   1028  O   PHE A  66       6.545   6.397 -27.310  1.00 15.54           O
ATOM   1029  CB  PHE A  66       6.272   3.314 -26.079  1.00 51.51           C
ATOM   1030  CG  PHE A  66       5.984   2.042 -26.823  1.00 65.30           C
ATOM   1031  CD1 PHE A  66       5.446   2.076 -28.099  1.00 42.12           C
ATOM   1032  CD2 PHE A  66       6.252   0.811 -26.246  1.00 22.22           C
ATOM   1033  CE1 PHE A  66       5.181   0.907 -28.787  1.00 32.22           C
ATOM   1034  CE2 PHE A  66       5.989  -0.362 -26.929  1.00  3.34           C
ATOM   1035  CZ  PHE A  66       5.452  -0.314 -28.200  1.00 51.31           C
ATOM      0  H   PHE A  66       8.676   3.160 -25.532  1.00  4.31           H   new
ATOM      0  HA  PHE A  66       7.273   4.046 -27.836  1.00 73.30           H   new
ATOM      0  HB2 PHE A  66       6.609   3.068 -25.072  1.00 51.51           H   new
ATOM      0  HB3 PHE A  66       5.348   3.882 -25.975  1.00 51.51           H   new
ATOM      0  HD1 PHE A  66       5.231   3.028 -28.562  1.00 42.12           H   new
ATOM      0  HD2 PHE A  66       6.671   0.767 -25.252  1.00 22.22           H   new
ATOM      0  HE1 PHE A  66       4.763   0.948 -29.782  1.00 32.22           H   new
ATOM      0  HE2 PHE A  66       6.203  -1.315 -26.469  1.00  3.34           H   new
ATOM      0  HZ  PHE A  66       5.244  -1.229 -28.734  1.00 51.31           H   new