USER  MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8
USER  MOD reduce.3.24.130724 removed 480 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  20 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  23 GLN     :      amide:sc=   -0.76  K(o=-0.76,f=-1.4)
USER  MOD Single : A  24 LYS NZ  :NH3+   -121:sc=       0   (180deg=-0.64)
USER  MOD Single : A  28 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  30 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  32 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  33 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  44 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  48 MET CE  :methyl -148:sc=   -0.92   (180deg=-1.96!)
USER  MOD Single : A  49 ASN     :      amide:sc=   -1.29! C(o=-1.3!,f=-4.2!)
USER  MOD Single : A  51 ASN     :      amide:sc=   -3.32  K(o=-3.3,f=-6.2!)
USER  MOD Single : A  53 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  59 ASN     :      amide:sc=   -2.28  K(o=-2.3,f=-4.5!)
USER  MOD Single : A  62 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  68 THR OG1 :   rot  180:sc=  0.0102
USER  MOD Single : A  69 HIS     :     no HE2:sc=   -1.33  K(o=-1.3,f=-5.7!)
USER  MOD Single : A  71 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM    176  N   PRO A  16       1.720  -9.743  -3.610  1.00  0.00           N
ATOM    177  CA  PRO A  16       1.253  -8.489  -3.011  1.00  0.00           C
ATOM    178  C   PRO A  16       1.102  -7.376  -4.042  1.00  0.00           C
ATOM    179  O   PRO A  16       1.696  -7.428  -5.119  1.00  0.00           O
ATOM    180  CB  PRO A  16       2.356  -8.143  -2.008  1.00  0.00           C
ATOM    181  CG  PRO A  16       3.576  -8.812  -2.539  1.00  0.00           C
ATOM    182  CD  PRO A  16       3.099 -10.071  -3.209  1.00  0.00           C
ATOM      0  HA  PRO A  16       0.266  -8.595  -2.560  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       2.497  -7.065  -1.932  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       2.110  -8.504  -1.009  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       4.098  -8.167  -3.246  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       4.278  -9.039  -1.736  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       3.717 -10.327  -4.069  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       3.128 -10.923  -2.530  1.00  0.00           H   new
ATOM    190  N   VAL A  17       0.303  -6.368  -3.705  1.00  0.00           N
ATOM    191  CA  VAL A  17       0.075  -5.241  -4.601  1.00  0.00           C
ATOM    192  C   VAL A  17       0.986  -4.069  -4.253  1.00  0.00           C
ATOM    193  O   VAL A  17       1.195  -3.759  -3.080  1.00  0.00           O
ATOM    194  CB  VAL A  17      -1.391  -4.771  -4.550  1.00  0.00           C
ATOM    195  CG1 VAL A  17      -1.640  -3.685  -5.585  1.00  0.00           C
ATOM    196  CG2 VAL A  17      -2.335  -5.945  -4.760  1.00  0.00           C
ATOM      0  H   VAL A  17      -0.197  -6.309  -2.818  1.00  0.00           H   new
ATOM      0  HA  VAL A  17       0.303  -5.587  -5.609  1.00  0.00           H   new
ATOM      0  HB  VAL A  17      -1.585  -4.351  -3.563  1.00  0.00           H   new
ATOM      0 HG11 VAL A  17      -2.681  -3.366  -5.534  1.00  0.00           H   new
ATOM      0 HG12 VAL A  17      -0.989  -2.834  -5.384  1.00  0.00           H   new
ATOM      0 HG13 VAL A  17      -1.429  -4.076  -6.580  1.00  0.00           H   new
ATOM      0 HG21 VAL A  17      -3.366  -5.594  -4.721  1.00  0.00           H   new
ATOM      0 HG22 VAL A  17      -2.142  -6.397  -5.733  1.00  0.00           H   new
ATOM      0 HG23 VAL A  17      -2.174  -6.686  -3.977  1.00  0.00           H   new
ATOM    206  N   PHE A  18       1.524  -3.420  -5.280  1.00  0.00           N
ATOM    207  CA  PHE A  18       2.414  -2.281  -5.083  1.00  0.00           C
ATOM    208  C   PHE A  18       1.771  -0.994  -5.592  1.00  0.00           C
ATOM    209  O   PHE A  18       1.243  -0.949  -6.703  1.00  0.00           O
ATOM    210  CB  PHE A  18       3.745  -2.517  -5.800  1.00  0.00           C
ATOM    211  CG  PHE A  18       4.660  -3.459  -5.070  1.00  0.00           C
ATOM    212  CD1 PHE A  18       5.129  -3.149  -3.804  1.00  0.00           C
ATOM    213  CD2 PHE A  18       5.051  -4.655  -5.651  1.00  0.00           C
ATOM    214  CE1 PHE A  18       5.970  -4.014  -3.130  1.00  0.00           C
ATOM    215  CE2 PHE A  18       5.891  -5.524  -4.982  1.00  0.00           C
ATOM    216  CZ  PHE A  18       6.353  -5.202  -3.720  1.00  0.00           C
ATOM      0  H   PHE A  18       1.360  -3.663  -6.257  1.00  0.00           H   new
ATOM      0  HA  PHE A  18       2.598  -2.176  -4.014  1.00  0.00           H   new
ATOM      0  HB2 PHE A  18       3.547  -2.914  -6.796  1.00  0.00           H   new
ATOM      0  HB3 PHE A  18       4.252  -1.561  -5.933  1.00  0.00           H   new
ATOM      0  HD1 PHE A  18       4.834  -2.220  -3.338  1.00  0.00           H   new
ATOM      0  HD2 PHE A  18       4.695  -4.911  -6.638  1.00  0.00           H   new
ATOM      0  HE1 PHE A  18       6.327  -3.761  -2.143  1.00  0.00           H   new
ATOM      0  HE2 PHE A  18       6.186  -6.454  -5.445  1.00  0.00           H   new
ATOM      0  HZ  PHE A  18       7.012  -5.878  -3.196  1.00  0.00           H   new
ATOM    226  N   ALA A  19       1.818   0.049  -4.769  1.00  0.00           N
ATOM    227  CA  ALA A  19       1.242   1.337  -5.135  1.00  0.00           C
ATOM    228  C   ALA A  19       2.165   2.484  -4.738  1.00  0.00           C
ATOM    229  O   ALA A  19       2.479   2.663  -3.561  1.00  0.00           O
ATOM    230  CB  ALA A  19      -0.124   1.507  -4.487  1.00  0.00           C
ATOM      0  H   ALA A  19       2.249   0.027  -3.845  1.00  0.00           H   new
ATOM      0  HA  ALA A  19       1.123   1.360  -6.218  1.00  0.00           H   new
ATOM      0  HB1 ALA A  19      -0.543   2.473  -4.769  1.00  0.00           H   new
ATOM      0  HB2 ALA A  19      -0.788   0.711  -4.824  1.00  0.00           H   new
ATOM      0  HB3 ALA A  19      -0.021   1.458  -3.403  1.00  0.00           H   new
ATOM    236  N   LYS A  20       2.598   3.258  -5.727  1.00  0.00           N
ATOM    237  CA  LYS A  20       3.486   4.389  -5.482  1.00  0.00           C
ATOM    238  C   LYS A  20       2.692   5.622  -5.064  1.00  0.00           C
ATOM    239  O   LYS A  20       1.636   5.912  -5.626  1.00  0.00           O
ATOM    240  CB  LYS A  20       4.308   4.699  -6.734  1.00  0.00           C
ATOM    241  CG  LYS A  20       5.045   6.025  -6.665  1.00  0.00           C
ATOM    242  CD  LYS A  20       6.224   6.060  -7.624  1.00  0.00           C
ATOM    243  CE  LYS A  20       7.438   5.355  -7.039  1.00  0.00           C
ATOM    244  NZ  LYS A  20       8.712   5.911  -7.573  1.00  0.00           N
ATOM      0  H   LYS A  20       2.348   3.123  -6.707  1.00  0.00           H   new
ATOM      0  HA  LYS A  20       4.161   4.120  -4.670  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20       5.031   3.899  -6.891  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20       3.647   4.705  -7.600  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20       4.358   6.837  -6.903  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20       5.398   6.194  -5.647  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20       5.944   5.585  -8.564  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20       6.478   7.095  -7.853  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20       7.426   5.452  -5.953  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20       7.383   4.290  -7.265  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       9.516   5.404  -7.150  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20       8.735   5.796  -8.606  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20       8.776   6.922  -7.336  1.00  0.00           H   new
ATOM    258  N   ALA A  21       3.208   6.346  -4.076  1.00  0.00           N
ATOM    259  CA  ALA A  21       2.549   7.550  -3.586  1.00  0.00           C
ATOM    260  C   ALA A  21       2.785   8.727  -4.527  1.00  0.00           C
ATOM    261  O   ALA A  21       3.908   9.214  -4.657  1.00  0.00           O
ATOM    262  CB  ALA A  21       3.038   7.886  -2.185  1.00  0.00           C
ATOM      0  H   ALA A  21       4.081   6.119  -3.599  1.00  0.00           H   new
ATOM      0  HA  ALA A  21       1.477   7.358  -3.549  1.00  0.00           H   new
ATOM      0  HB1 ALA A  21       2.538   8.787  -1.831  1.00  0.00           H   new
ATOM      0  HB2 ALA A  21       2.812   7.058  -1.513  1.00  0.00           H   new
ATOM      0  HB3 ALA A  21       4.115   8.053  -2.206  1.00  0.00           H   new
ATOM    268  N   ILE A  22       1.720   9.178  -5.181  1.00  0.00           N
ATOM    269  CA  ILE A  22       1.812  10.297  -6.110  1.00  0.00           C
ATOM    270  C   ILE A  22       1.749  11.630  -5.372  1.00  0.00           C
ATOM    271  O   ILE A  22       2.163  12.662  -5.899  1.00  0.00           O
ATOM    272  CB  ILE A  22       0.688  10.251  -7.161  1.00  0.00           C
ATOM    273  CG1 ILE A  22      -0.672  10.094  -6.478  1.00  0.00           C
ATOM    274  CG2 ILE A  22       0.927   9.115  -8.144  1.00  0.00           C
ATOM    275  CD1 ILE A  22      -1.821  10.664  -7.280  1.00  0.00           C
ATOM      0  H   ILE A  22       0.783   8.786  -5.085  1.00  0.00           H   new
ATOM      0  HA  ILE A  22       2.774  10.209  -6.616  1.00  0.00           H   new
ATOM      0  HB  ILE A  22       0.690  11.190  -7.714  1.00  0.00           H   new
ATOM      0 HG12 ILE A  22      -0.857   9.036  -6.295  1.00  0.00           H   new
ATOM      0 HG13 ILE A  22      -0.640  10.585  -5.505  1.00  0.00           H   new
ATOM      0 HG21 ILE A  22       0.124   9.096  -8.880  1.00  0.00           H   new
ATOM      0 HG22 ILE A  22       1.880   9.267  -8.651  1.00  0.00           H   new
ATOM      0 HG23 ILE A  22       0.949   8.167  -7.606  1.00  0.00           H   new
ATOM      0 HD11 ILE A  22      -2.753  10.517  -6.735  1.00  0.00           H   new
ATOM      0 HD12 ILE A  22      -1.659  11.730  -7.441  1.00  0.00           H   new
ATOM      0 HD13 ILE A  22      -1.880  10.156  -8.243  1.00  0.00           H   new
ATOM    287  N   GLN A  23       1.228  11.599  -4.150  1.00  0.00           N
ATOM    288  CA  GLN A  23       1.111  12.806  -3.339  1.00  0.00           C
ATOM    289  C   GLN A  23       1.704  12.588  -1.950  1.00  0.00           C
ATOM    290  O   GLN A  23       2.000  11.458  -1.560  1.00  0.00           O
ATOM    291  CB  GLN A  23      -0.355  13.226  -3.220  1.00  0.00           C
ATOM    292  CG  GLN A  23      -0.921  13.825  -4.497  1.00  0.00           C
ATOM    293  CD  GLN A  23       0.041  14.785  -5.168  1.00  0.00           C
ATOM    294  OE1 GLN A  23       0.414  14.600  -6.327  1.00  0.00           O
ATOM    295  NE2 GLN A  23       0.449  15.819  -4.441  1.00  0.00           N
ATOM      0  H   GLN A  23       0.880  10.752  -3.700  1.00  0.00           H   new
ATOM      0  HA  GLN A  23       1.670  13.601  -3.833  1.00  0.00           H   new
ATOM      0  HB2 GLN A  23      -0.952  12.358  -2.940  1.00  0.00           H   new
ATOM      0  HB3 GLN A  23      -0.452  13.953  -2.413  1.00  0.00           H   new
ATOM      0  HG2 GLN A  23      -1.170  13.022  -5.191  1.00  0.00           H   new
ATOM      0  HG3 GLN A  23      -1.849  14.348  -4.268  1.00  0.00           H   new
ATOM      0 HE21 GLN A  23       0.114  15.933  -3.484  1.00  0.00           H   new
ATOM      0 HE22 GLN A  23       1.097  16.499  -4.839  1.00  0.00           H   new
ATOM    304  N   LYS A  24       1.876  13.676  -1.208  1.00  0.00           N
ATOM    305  CA  LYS A  24       2.432  13.606   0.137  1.00  0.00           C
ATOM    306  C   LYS A  24       1.330  13.403   1.172  1.00  0.00           C
ATOM    307  O   LYS A  24       0.386  14.189   1.249  1.00  0.00           O
ATOM    308  CB  LYS A  24       3.216  14.881   0.455  1.00  0.00           C
ATOM    309  CG  LYS A  24       4.112  14.757   1.675  1.00  0.00           C
ATOM    310  CD  LYS A  24       5.125  15.888   1.740  1.00  0.00           C
ATOM    311  CE  LYS A  24       4.505  17.160   2.297  1.00  0.00           C
ATOM    312  NZ  LYS A  24       3.908  18.002   1.224  1.00  0.00           N
ATOM      0  H   LYS A  24       1.638  14.619  -1.516  1.00  0.00           H   new
ATOM      0  HA  LYS A  24       3.108  12.752   0.179  1.00  0.00           H   new
ATOM      0  HB2 LYS A  24       3.827  15.147  -0.408  1.00  0.00           H   new
ATOM      0  HB3 LYS A  24       2.514  15.699   0.612  1.00  0.00           H   new
ATOM      0  HG2 LYS A  24       3.501  14.762   2.578  1.00  0.00           H   new
ATOM      0  HG3 LYS A  24       4.634  13.801   1.648  1.00  0.00           H   new
ATOM      0  HD2 LYS A  24       5.967  15.589   2.364  1.00  0.00           H   new
ATOM      0  HD3 LYS A  24       5.521  16.081   0.743  1.00  0.00           H   new
ATOM      0  HE2 LYS A  24       3.736  16.901   3.025  1.00  0.00           H   new
ATOM      0  HE3 LYS A  24       5.266  17.733   2.827  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  24       4.362  18.938   1.224  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  24       4.056  17.545   0.301  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  24       2.888  18.112   1.396  1.00  0.00           H   new
ATOM    326  N   ARG A  25       1.458  12.344   1.966  1.00  0.00           N
ATOM    327  CA  ARG A  25       0.473  12.039   2.997  1.00  0.00           C
ATOM    328  C   ARG A  25       0.916  12.584   4.351  1.00  0.00           C
ATOM    329  O   ARG A  25       1.984  12.236   4.853  1.00  0.00           O
ATOM    330  CB  ARG A  25       0.254  10.528   3.090  1.00  0.00           C
ATOM    331  CG  ARG A  25      -0.753  10.123   4.155  1.00  0.00           C
ATOM    332  CD  ARG A  25      -2.181  10.374   3.695  1.00  0.00           C
ATOM    333  NE  ARG A  25      -2.449  11.795   3.491  1.00  0.00           N
ATOM    334  CZ  ARG A  25      -2.795  12.625   4.469  1.00  0.00           C
ATOM    335  NH1 ARG A  25      -2.915  12.178   5.711  1.00  0.00           N
ATOM    336  NH2 ARG A  25      -3.023  13.906   4.204  1.00  0.00           N
ATOM      0  H   ARG A  25       2.234  11.684   1.915  1.00  0.00           H   new
ATOM      0  HA  ARG A  25      -0.466  12.520   2.722  1.00  0.00           H   new
ATOM      0  HB2 ARG A  25      -0.085  10.158   2.122  1.00  0.00           H   new
ATOM      0  HB3 ARG A  25       1.207  10.043   3.300  1.00  0.00           H   new
ATOM      0  HG2 ARG A  25      -0.627   9.067   4.394  1.00  0.00           H   new
ATOM      0  HG3 ARG A  25      -0.561  10.682   5.071  1.00  0.00           H   new
ATOM      0  HD2 ARG A  25      -2.363   9.834   2.766  1.00  0.00           H   new
ATOM      0  HD3 ARG A  25      -2.875   9.977   4.435  1.00  0.00           H   new
ATOM      0  HE  ARG A  25      -2.366  12.171   2.546  1.00  0.00           H   new
ATOM      0 HH11 ARG A  25      -2.742  11.194   5.918  1.00  0.00           H   new
ATOM      0 HH12 ARG A  25      -3.181  12.818   6.460  1.00  0.00           H   new
ATOM      0 HH21 ARG A  25      -2.933  14.253   3.249  1.00  0.00           H   new
ATOM      0 HH22 ARG A  25      -3.289  14.543   4.955  1.00  0.00           H   new
ATOM    350  N   VAL A  26       0.087  13.443   4.937  1.00  0.00           N
ATOM    351  CA  VAL A  26       0.392  14.036   6.233  1.00  0.00           C
ATOM    352  C   VAL A  26      -0.686  13.704   7.258  1.00  0.00           C
ATOM    353  O   VAL A  26      -1.698  14.395   7.378  1.00  0.00           O
ATOM    354  CB  VAL A  26       0.533  15.567   6.131  1.00  0.00           C
ATOM    355  CG1 VAL A  26       0.844  16.167   7.493  1.00  0.00           C
ATOM    356  CG2 VAL A  26       1.607  15.936   5.119  1.00  0.00           C
ATOM      0  H   VAL A  26      -0.801  13.743   4.534  1.00  0.00           H   new
ATOM      0  HA  VAL A  26       1.342  13.611   6.559  1.00  0.00           H   new
ATOM      0  HB  VAL A  26      -0.416  15.980   5.787  1.00  0.00           H   new
ATOM      0 HG11 VAL A  26       0.940  17.249   7.401  1.00  0.00           H   new
ATOM      0 HG12 VAL A  26       0.037  15.932   8.187  1.00  0.00           H   new
ATOM      0 HG13 VAL A  26       1.778  15.751   7.869  1.00  0.00           H   new
ATOM      0 HG21 VAL A  26       1.693  17.021   5.059  1.00  0.00           H   new
ATOM      0 HG22 VAL A  26       2.562  15.512   5.431  1.00  0.00           H   new
ATOM      0 HG23 VAL A  26       1.337  15.539   4.140  1.00  0.00           H   new
ATOM    366  N   PRO A  27      -0.468  12.619   8.016  1.00  0.00           N
ATOM    367  CA  PRO A  27      -1.410  12.170   9.045  1.00  0.00           C
ATOM    368  C   PRO A  27      -1.458  13.116  10.240  1.00  0.00           C
ATOM    369  O   PRO A  27      -0.471  13.781  10.557  1.00  0.00           O
ATOM    370  CB  PRO A  27      -0.854  10.807   9.465  1.00  0.00           C
ATOM    371  CG  PRO A  27       0.600  10.877   9.148  1.00  0.00           C
ATOM    372  CD  PRO A  27       0.716  11.748   7.927  1.00  0.00           C
ATOM      0  HA  PRO A  27      -2.433  12.132   8.671  1.00  0.00           H   new
ATOM      0  HB2 PRO A  27      -1.019  10.622  10.526  1.00  0.00           H   new
ATOM      0  HB3 PRO A  27      -1.339   9.997   8.921  1.00  0.00           H   new
ATOM      0  HG2 PRO A  27       1.162  11.298   9.982  1.00  0.00           H   new
ATOM      0  HG3 PRO A  27       1.006   9.883   8.959  1.00  0.00           H   new
ATOM      0  HD2 PRO A  27       1.641  12.325   7.931  1.00  0.00           H   new
ATOM      0  HD3 PRO A  27       0.713  11.158   7.011  1.00  0.00           H   new
ATOM    380  N   CYS A  28      -2.609  13.171  10.900  1.00  0.00           N
ATOM    381  CA  CYS A  28      -2.785  14.037  12.060  1.00  0.00           C
ATOM    382  C   CYS A  28      -2.302  13.347  13.332  1.00  0.00           C
ATOM    383  O   CYS A  28      -2.328  12.121  13.432  1.00  0.00           O
ATOM    384  CB  CYS A  28      -4.255  14.434  12.208  1.00  0.00           C
ATOM    385  SG  CYS A  28      -4.750  15.829  11.170  1.00  0.00           S
ATOM      0  H   CYS A  28      -3.435  12.626  10.652  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -2.187  14.935  11.906  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -4.879  13.574  11.964  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -4.450  14.684  13.251  1.00  0.00           H   new
ATOM      0  HG  CYS A  28      -6.009  16.088  11.363  1.00  0.00           H   new
ATOM    391  N   ALA A  29      -1.860  14.143  14.299  1.00  0.00           N
ATOM    392  CA  ALA A  29      -1.371  13.609  15.564  1.00  0.00           C
ATOM    393  C   ALA A  29      -2.348  12.593  16.145  1.00  0.00           C
ATOM    394  O   ALA A  29      -1.971  11.463  16.458  1.00  0.00           O
ATOM    395  CB  ALA A  29      -1.129  14.738  16.555  1.00  0.00           C
ATOM      0  H   ALA A  29      -1.830  15.160  14.231  1.00  0.00           H   new
ATOM      0  HA  ALA A  29      -0.427  13.098  15.374  1.00  0.00           H   new
ATOM      0  HB1 ALA A  29      -0.764  14.325  17.495  1.00  0.00           H   new
ATOM      0  HB2 ALA A  29      -0.387  15.426  16.149  1.00  0.00           H   new
ATOM      0  HB3 ALA A  29      -2.062  15.273  16.732  1.00  0.00           H   new
ATOM    401  N   TYR A  30      -3.604  13.001  16.288  1.00  0.00           N
ATOM    402  CA  TYR A  30      -4.635  12.127  16.835  1.00  0.00           C
ATOM    403  C   TYR A  30      -4.755  10.847  16.014  1.00  0.00           C
ATOM    404  O   TYR A  30      -4.899   9.755  16.563  1.00  0.00           O
ATOM    405  CB  TYR A  30      -5.981  12.852  16.871  1.00  0.00           C
ATOM    406  CG  TYR A  30      -5.879  14.298  17.301  1.00  0.00           C
ATOM    407  CD1 TYR A  30      -5.693  14.634  18.636  1.00  0.00           C
ATOM    408  CD2 TYR A  30      -5.968  15.327  16.372  1.00  0.00           C
ATOM    409  CE1 TYR A  30      -5.600  15.954  19.034  1.00  0.00           C
ATOM    410  CE2 TYR A  30      -5.875  16.650  16.761  1.00  0.00           C
ATOM    411  CZ  TYR A  30      -5.692  16.958  18.092  1.00  0.00           C
ATOM    412  OH  TYR A  30      -5.598  18.274  18.484  1.00  0.00           O
ATOM      0  H   TYR A  30      -3.933  13.932  16.033  1.00  0.00           H   new
ATOM      0  HA  TYR A  30      -4.347  11.859  17.852  1.00  0.00           H   new
ATOM      0  HB2 TYR A  30      -6.435  12.807  15.881  1.00  0.00           H   new
ATOM      0  HB3 TYR A  30      -6.650  12.326  17.552  1.00  0.00           H   new
ATOM      0  HD1 TYR A  30      -5.620  13.850  19.375  1.00  0.00           H   new
ATOM      0  HD2 TYR A  30      -6.112  15.089  15.328  1.00  0.00           H   new
ATOM      0  HE1 TYR A  30      -5.456  16.198  20.076  1.00  0.00           H   new
ATOM      0  HE2 TYR A  30      -5.945  17.438  16.026  1.00  0.00           H   new
ATOM      0  HH  TYR A  30      -5.682  18.856  17.700  1.00  0.00           H   new
ATOM    422  N   ASP A  31      -4.695  10.991  14.694  1.00  0.00           N
ATOM    423  CA  ASP A  31      -4.796   9.847  13.795  1.00  0.00           C
ATOM    424  C   ASP A  31      -3.519   9.012  13.833  1.00  0.00           C
ATOM    425  O   ASP A  31      -2.449   9.478  13.441  1.00  0.00           O
ATOM    426  CB  ASP A  31      -5.071  10.317  12.366  1.00  0.00           C
ATOM    427  CG  ASP A  31      -6.553  10.454  12.077  1.00  0.00           C
ATOM    428  OD1 ASP A  31      -7.260  11.081  12.893  1.00  0.00           O
ATOM    429  OD2 ASP A  31      -7.005   9.934  11.035  1.00  0.00           O
ATOM      0  H   ASP A  31      -4.577  11.888  14.223  1.00  0.00           H   new
ATOM      0  HA  ASP A  31      -5.626   9.225  14.130  1.00  0.00           H   new
ATOM      0  HB2 ASP A  31      -4.581  11.277  12.202  1.00  0.00           H   new
ATOM      0  HB3 ASP A  31      -4.630   9.610  11.663  1.00  0.00           H   new
ATOM    434  N   LYS A  32      -3.639   7.777  14.308  1.00  0.00           N
ATOM    435  CA  LYS A  32      -2.496   6.877  14.397  1.00  0.00           C
ATOM    436  C   LYS A  32      -2.565   5.801  13.318  1.00  0.00           C
ATOM    437  O   LYS A  32      -1.539   5.292  12.867  1.00  0.00           O
ATOM    438  CB  LYS A  32      -2.442   6.224  15.780  1.00  0.00           C
ATOM    439  CG  LYS A  32      -1.737   7.070  16.825  1.00  0.00           C
ATOM    440  CD  LYS A  32      -0.244   6.790  16.856  1.00  0.00           C
ATOM    441  CE  LYS A  32       0.059   5.458  17.526  1.00  0.00           C
ATOM    442  NZ  LYS A  32       0.074   5.575  19.010  1.00  0.00           N
ATOM      0  H   LYS A  32      -4.517   7.376  14.637  1.00  0.00           H   new
ATOM      0  HA  LYS A  32      -1.590   7.464  14.243  1.00  0.00           H   new
ATOM      0  HB2 LYS A  32      -3.459   6.019  16.116  1.00  0.00           H   new
ATOM      0  HB3 LYS A  32      -1.934   5.263  15.699  1.00  0.00           H   new
ATOM      0  HG2 LYS A  32      -1.906   8.126  16.613  1.00  0.00           H   new
ATOM      0  HG3 LYS A  32      -2.166   6.869  17.807  1.00  0.00           H   new
ATOM      0  HD2 LYS A  32       0.148   6.784  15.839  1.00  0.00           H   new
ATOM      0  HD3 LYS A  32       0.267   7.592  17.390  1.00  0.00           H   new
ATOM      0  HE2 LYS A  32      -0.688   4.723  17.227  1.00  0.00           H   new
ATOM      0  HE3 LYS A  32       1.025   5.089  17.181  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  32       0.284   4.647  19.429  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  32       0.804   6.258  19.297  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  32      -0.856   5.903  19.342  1.00  0.00           H   new
ATOM    456  N   THR A  33      -3.782   5.461  12.905  1.00  0.00           N
ATOM    457  CA  THR A  33      -3.985   4.446  11.878  1.00  0.00           C
ATOM    458  C   THR A  33      -3.574   4.964  10.505  1.00  0.00           C
ATOM    459  O   THR A  33      -3.290   4.185   9.596  1.00  0.00           O
ATOM    460  CB  THR A  33      -5.455   3.989  11.823  1.00  0.00           C
ATOM    461  OG1 THR A  33      -6.312   5.118  11.623  1.00  0.00           O
ATOM    462  CG2 THR A  33      -5.846   3.269  13.105  1.00  0.00           C
ATOM      0  H   THR A  33      -4.642   5.874  13.266  1.00  0.00           H   new
ATOM      0  HA  THR A  33      -3.358   3.596  12.145  1.00  0.00           H   new
ATOM      0  HB  THR A  33      -5.566   3.297  10.988  1.00  0.00           H   new
ATOM      0  HG1 THR A  33      -7.244   4.819  11.587  1.00  0.00           H   new
ATOM      0 HG21 THR A  33      -6.888   2.956  13.043  1.00  0.00           H   new
ATOM      0 HG22 THR A  33      -5.211   2.393  13.239  1.00  0.00           H   new
ATOM      0 HG23 THR A  33      -5.719   3.942  13.953  1.00  0.00           H   new
ATOM    470  N   ALA A  34      -3.544   6.285  10.360  1.00  0.00           N
ATOM    471  CA  ALA A  34      -3.165   6.907   9.098  1.00  0.00           C
ATOM    472  C   ALA A  34      -1.660   6.811   8.868  1.00  0.00           C
ATOM    473  O   ALA A  34      -0.874   7.463   9.557  1.00  0.00           O
ATOM    474  CB  ALA A  34      -3.613   8.361   9.071  1.00  0.00           C
ATOM      0  H   ALA A  34      -3.778   6.945  11.102  1.00  0.00           H   new
ATOM      0  HA  ALA A  34      -3.664   6.369   8.292  1.00  0.00           H   new
ATOM      0  HB1 ALA A  34      -3.323   8.813   8.123  1.00  0.00           H   new
ATOM      0  HB2 ALA A  34      -4.696   8.410   9.181  1.00  0.00           H   new
ATOM      0  HB3 ALA A  34      -3.141   8.903   9.891  1.00  0.00           H   new
ATOM    480  N   LEU A  35      -1.266   5.994   7.898  1.00  0.00           N
ATOM    481  CA  LEU A  35       0.146   5.811   7.578  1.00  0.00           C
ATOM    482  C   LEU A  35       0.686   7.006   6.798  1.00  0.00           C
ATOM    483  O   LEU A  35       0.021   7.528   5.904  1.00  0.00           O
ATOM    484  CB  LEU A  35       0.344   4.528   6.770  1.00  0.00           C
ATOM    485  CG  LEU A  35       1.680   3.811   6.966  1.00  0.00           C
ATOM    486  CD1 LEU A  35       1.802   2.637   6.006  1.00  0.00           C
ATOM    487  CD2 LEU A  35       2.838   4.779   6.777  1.00  0.00           C
ATOM      0  H   LEU A  35      -1.904   5.448   7.319  1.00  0.00           H   new
ATOM      0  HA  LEU A  35       0.699   5.732   8.514  1.00  0.00           H   new
ATOM      0  HB2 LEU A  35      -0.458   3.835   7.024  1.00  0.00           H   new
ATOM      0  HB3 LEU A  35       0.235   4.768   5.712  1.00  0.00           H   new
ATOM      0  HG  LEU A  35       1.717   3.426   7.985  1.00  0.00           H   new
ATOM      0 HD11 LEU A  35       2.759   2.139   6.160  1.00  0.00           H   new
ATOM      0 HD12 LEU A  35       0.992   1.931   6.190  1.00  0.00           H   new
ATOM      0 HD13 LEU A  35       1.742   2.999   4.979  1.00  0.00           H   new
ATOM      0 HD21 LEU A  35       3.781   4.251   6.920  1.00  0.00           H   new
ATOM      0 HD22 LEU A  35       2.804   5.194   5.770  1.00  0.00           H   new
ATOM      0 HD23 LEU A  35       2.760   5.586   7.505  1.00  0.00           H   new
ATOM    499  N   ALA A  36       1.897   7.431   7.141  1.00  0.00           N
ATOM    500  CA  ALA A  36       2.528   8.561   6.471  1.00  0.00           C
ATOM    501  C   ALA A  36       3.462   8.089   5.361  1.00  0.00           C
ATOM    502  O   ALA A  36       4.197   7.114   5.527  1.00  0.00           O
ATOM    503  CB  ALA A  36       3.289   9.414   7.476  1.00  0.00           C
ATOM      0  H   ALA A  36       2.461   7.010   7.879  1.00  0.00           H   new
ATOM      0  HA  ALA A  36       1.743   9.167   6.018  1.00  0.00           H   new
ATOM      0  HB1 ALA A  36       3.755  10.254   6.961  1.00  0.00           H   new
ATOM      0  HB2 ALA A  36       2.599   9.789   8.231  1.00  0.00           H   new
ATOM      0  HB3 ALA A  36       4.059   8.810   7.956  1.00  0.00           H   new
ATOM    509  N   LEU A  37       3.428   8.784   4.230  1.00  0.00           N
ATOM    510  CA  LEU A  37       4.271   8.435   3.092  1.00  0.00           C
ATOM    511  C   LEU A  37       4.893   9.683   2.472  1.00  0.00           C
ATOM    512  O   LEU A  37       4.473  10.804   2.757  1.00  0.00           O
ATOM    513  CB  LEU A  37       3.455   7.682   2.040  1.00  0.00           C
ATOM    514  CG  LEU A  37       2.674   6.466   2.540  1.00  0.00           C
ATOM    515  CD1 LEU A  37       1.446   6.229   1.676  1.00  0.00           C
ATOM    516  CD2 LEU A  37       3.563   5.231   2.557  1.00  0.00           C
ATOM      0  H   LEU A  37       2.826   9.593   4.076  1.00  0.00           H   new
ATOM      0  HA  LEU A  37       5.074   7.791   3.450  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37       2.751   8.380   1.587  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37       4.131   7.355   1.250  1.00  0.00           H   new
ATOM      0  HG  LEU A  37       2.343   6.665   3.559  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37       0.903   5.360   2.047  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37       0.799   7.105   1.715  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37       1.755   6.052   0.646  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37       2.991   4.376   2.916  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37       3.924   5.029   1.549  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37       4.412   5.403   3.219  1.00  0.00           H   new
ATOM    528  N   GLU A  38       5.894   9.479   1.622  1.00  0.00           N
ATOM    529  CA  GLU A  38       6.573  10.588   0.961  1.00  0.00           C
ATOM    530  C   GLU A  38       6.455  10.472  -0.556  1.00  0.00           C
ATOM    531  O   GLU A  38       6.704   9.412  -1.130  1.00  0.00           O
ATOM    532  CB  GLU A  38       8.047  10.627   1.367  1.00  0.00           C
ATOM    533  CG  GLU A  38       8.924  11.406   0.401  1.00  0.00           C
ATOM    534  CD  GLU A  38      10.133  12.022   1.078  1.00  0.00           C
ATOM    535  OE1 GLU A  38      11.179  11.344   1.155  1.00  0.00           O
ATOM    536  OE2 GLU A  38      10.034  13.182   1.531  1.00  0.00           O
ATOM      0  H   GLU A  38       6.253   8.557   1.375  1.00  0.00           H   new
ATOM      0  HA  GLU A  38       6.092  11.514   1.276  1.00  0.00           H   new
ATOM      0  HB2 GLU A  38       8.130  11.071   2.359  1.00  0.00           H   new
ATOM      0  HB3 GLU A  38       8.422   9.606   1.442  1.00  0.00           H   new
ATOM      0  HG2 GLU A  38       9.258  10.742  -0.397  1.00  0.00           H   new
ATOM      0  HG3 GLU A  38       8.333  12.194  -0.066  1.00  0.00           H   new
ATOM    543  N   VAL A  39       6.071  11.570  -1.199  1.00  0.00           N
ATOM    544  CA  VAL A  39       5.920  11.592  -2.649  1.00  0.00           C
ATOM    545  C   VAL A  39       6.989  10.743  -3.327  1.00  0.00           C
ATOM    546  O   VAL A  39       8.175  11.068  -3.284  1.00  0.00           O
ATOM    547  CB  VAL A  39       5.997  13.029  -3.199  1.00  0.00           C
ATOM    548  CG1 VAL A  39       5.803  13.035  -4.707  1.00  0.00           C
ATOM    549  CG2 VAL A  39       4.965  13.916  -2.517  1.00  0.00           C
ATOM      0  H   VAL A  39       5.859  12.455  -0.739  1.00  0.00           H   new
ATOM      0  HA  VAL A  39       4.937  11.177  -2.871  1.00  0.00           H   new
ATOM      0  HB  VAL A  39       6.987  13.430  -2.983  1.00  0.00           H   new
ATOM      0 HG11 VAL A  39       5.861  14.059  -5.077  1.00  0.00           H   new
ATOM      0 HG12 VAL A  39       6.582  12.435  -5.177  1.00  0.00           H   new
ATOM      0 HG13 VAL A  39       4.827  12.616  -4.950  1.00  0.00           H   new
ATOM      0 HG21 VAL A  39       5.033  14.928  -2.917  1.00  0.00           H   new
ATOM      0 HG22 VAL A  39       3.966  13.520  -2.701  1.00  0.00           H   new
ATOM      0 HG23 VAL A  39       5.155  13.937  -1.444  1.00  0.00           H   new
ATOM    559  N   GLY A  40       6.561   9.651  -3.953  1.00  0.00           N
ATOM    560  CA  GLY A  40       7.494   8.771  -4.632  1.00  0.00           C
ATOM    561  C   GLY A  40       7.960   7.629  -3.751  1.00  0.00           C
ATOM    562  O   GLY A  40       9.153   7.335  -3.683  1.00  0.00           O
ATOM      0  H   GLY A  40       5.585   9.360  -4.002  1.00  0.00           H   new
ATOM      0  HA2 GLY A  40       7.021   8.366  -5.527  1.00  0.00           H   new
ATOM      0  HA3 GLY A  40       8.358   9.348  -4.962  1.00  0.00           H   new
ATOM    566  N   ASP A  41       7.017   6.985  -3.072  1.00  0.00           N
ATOM    567  CA  ASP A  41       7.337   5.869  -2.190  1.00  0.00           C
ATOM    568  C   ASP A  41       6.546   4.624  -2.580  1.00  0.00           C
ATOM    569  O   ASP A  41       5.368   4.709  -2.928  1.00  0.00           O
ATOM    570  CB  ASP A  41       7.043   6.241  -0.736  1.00  0.00           C
ATOM    571  CG  ASP A  41       7.956   5.524   0.240  1.00  0.00           C
ATOM    572  OD1 ASP A  41       8.051   4.282   0.160  1.00  0.00           O
ATOM    573  OD2 ASP A  41       8.573   6.206   1.085  1.00  0.00           O
ATOM      0  H   ASP A  41       6.025   7.217  -3.116  1.00  0.00           H   new
ATOM      0  HA  ASP A  41       8.400   5.649  -2.293  1.00  0.00           H   new
ATOM      0  HB2 ASP A  41       7.155   7.318  -0.610  1.00  0.00           H   new
ATOM      0  HB3 ASP A  41       6.006   5.999  -0.504  1.00  0.00           H   new
ATOM    578  N   ILE A  42       7.201   3.470  -2.520  1.00  0.00           N
ATOM    579  CA  ILE A  42       6.559   2.208  -2.866  1.00  0.00           C
ATOM    580  C   ILE A  42       5.775   1.648  -1.685  1.00  0.00           C
ATOM    581  O   ILE A  42       6.353   1.260  -0.670  1.00  0.00           O
ATOM    582  CB  ILE A  42       7.589   1.160  -3.328  1.00  0.00           C
ATOM    583  CG1 ILE A  42       8.492   1.746  -4.415  1.00  0.00           C
ATOM    584  CG2 ILE A  42       6.883  -0.089  -3.833  1.00  0.00           C
ATOM    585  CD1 ILE A  42       7.741   2.191  -5.650  1.00  0.00           C
ATOM      0  H   ILE A  42       8.176   3.383  -2.235  1.00  0.00           H   new
ATOM      0  HA  ILE A  42       5.873   2.418  -3.687  1.00  0.00           H   new
ATOM      0  HB  ILE A  42       8.211   0.882  -2.477  1.00  0.00           H   new
ATOM      0 HG12 ILE A  42       9.036   2.597  -4.004  1.00  0.00           H   new
ATOM      0 HG13 ILE A  42       9.234   1.000  -4.700  1.00  0.00           H   new
ATOM      0 HG21 ILE A  42       7.624  -0.820  -4.156  1.00  0.00           H   new
ATOM      0 HG22 ILE A  42       6.279  -0.514  -3.032  1.00  0.00           H   new
ATOM      0 HG23 ILE A  42       6.240   0.171  -4.674  1.00  0.00           H   new
ATOM      0 HD11 ILE A  42       8.445   2.596  -6.378  1.00  0.00           H   new
ATOM      0 HD12 ILE A  42       7.219   1.339  -6.085  1.00  0.00           H   new
ATOM      0 HD13 ILE A  42       7.018   2.960  -5.379  1.00  0.00           H   new
ATOM    597  N   VAL A  43       4.453   1.606  -1.825  1.00  0.00           N
ATOM    598  CA  VAL A  43       3.589   1.091  -0.770  1.00  0.00           C
ATOM    599  C   VAL A  43       3.290  -0.390  -0.980  1.00  0.00           C
ATOM    600  O   VAL A  43       2.735  -0.784  -2.005  1.00  0.00           O
ATOM    601  CB  VAL A  43       2.260   1.866  -0.704  1.00  0.00           C
ATOM    602  CG1 VAL A  43       1.356   1.287   0.373  1.00  0.00           C
ATOM    603  CG2 VAL A  43       2.518   3.345  -0.456  1.00  0.00           C
ATOM      0  H   VAL A  43       3.958   1.923  -2.659  1.00  0.00           H   new
ATOM      0  HA  VAL A  43       4.125   1.222   0.170  1.00  0.00           H   new
ATOM      0  HB  VAL A  43       1.753   1.764  -1.663  1.00  0.00           H   new
ATOM      0 HG11 VAL A  43       0.422   1.848   0.404  1.00  0.00           H   new
ATOM      0 HG12 VAL A  43       1.144   0.242   0.147  1.00  0.00           H   new
ATOM      0 HG13 VAL A  43       1.853   1.356   1.341  1.00  0.00           H   new
ATOM      0 HG21 VAL A  43       1.568   3.878  -0.412  1.00  0.00           H   new
ATOM      0 HG22 VAL A  43       3.047   3.469   0.489  1.00  0.00           H   new
ATOM      0 HG23 VAL A  43       3.124   3.750  -1.267  1.00  0.00           H   new
ATOM    613  N   LYS A  44       3.662  -1.207   0.000  1.00  0.00           N
ATOM    614  CA  LYS A  44       3.434  -2.645  -0.074  1.00  0.00           C
ATOM    615  C   LYS A  44       2.231  -3.049   0.773  1.00  0.00           C
ATOM    616  O   LYS A  44       2.294  -3.042   2.002  1.00  0.00           O
ATOM    617  CB  LYS A  44       4.677  -3.404   0.393  1.00  0.00           C
ATOM    618  CG  LYS A  44       4.474  -4.907   0.483  1.00  0.00           C
ATOM    619  CD  LYS A  44       5.388  -5.532   1.524  1.00  0.00           C
ATOM    620  CE  LYS A  44       5.226  -7.044   1.571  1.00  0.00           C
ATOM    621  NZ  LYS A  44       6.416  -7.710   2.170  1.00  0.00           N
ATOM      0  H   LYS A  44       4.123  -0.897   0.855  1.00  0.00           H   new
ATOM      0  HA  LYS A  44       3.228  -2.902  -1.113  1.00  0.00           H   new
ATOM      0  HB2 LYS A  44       5.498  -3.197  -0.294  1.00  0.00           H   new
ATOM      0  HB3 LYS A  44       4.977  -3.027   1.371  1.00  0.00           H   new
ATOM      0  HG2 LYS A  44       3.435  -5.120   0.735  1.00  0.00           H   new
ATOM      0  HG3 LYS A  44       4.666  -5.360  -0.490  1.00  0.00           H   new
ATOM      0  HD2 LYS A  44       6.424  -5.283   1.297  1.00  0.00           H   new
ATOM      0  HD3 LYS A  44       5.167  -5.110   2.504  1.00  0.00           H   new
ATOM      0  HE2 LYS A  44       4.338  -7.296   2.151  1.00  0.00           H   new
ATOM      0  HE3 LYS A  44       5.067  -7.424   0.562  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  44       6.267  -8.739   2.184  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  44       7.259  -7.490   1.603  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  44       6.553  -7.367   3.142  1.00  0.00           H   new
ATOM    635  N   VAL A  45       1.136  -3.401   0.107  1.00  0.00           N
ATOM    636  CA  VAL A  45      -0.081  -3.811   0.798  1.00  0.00           C
ATOM    637  C   VAL A  45      -0.309  -5.313   0.666  1.00  0.00           C
ATOM    638  O   VAL A  45      -0.233  -5.870  -0.429  1.00  0.00           O
ATOM    639  CB  VAL A  45      -1.314  -3.066   0.254  1.00  0.00           C
ATOM    640  CG1 VAL A  45      -1.224  -2.916  -1.257  1.00  0.00           C
ATOM    641  CG2 VAL A  45      -2.592  -3.790   0.650  1.00  0.00           C
ATOM      0  H   VAL A  45       1.067  -3.411  -0.911  1.00  0.00           H   new
ATOM      0  HA  VAL A  45       0.052  -3.558   1.850  1.00  0.00           H   new
ATOM      0  HB  VAL A  45      -1.337  -2.069   0.694  1.00  0.00           H   new
ATOM      0 HG11 VAL A  45      -2.104  -2.387  -1.623  1.00  0.00           H   new
ATOM      0 HG12 VAL A  45      -0.328  -2.351  -1.514  1.00  0.00           H   new
ATOM      0 HG13 VAL A  45      -1.175  -3.902  -1.718  1.00  0.00           H   new
ATOM      0 HG21 VAL A  45      -3.453  -3.249   0.257  1.00  0.00           H   new
ATOM      0 HG22 VAL A  45      -2.580  -4.800   0.240  1.00  0.00           H   new
ATOM      0 HG23 VAL A  45      -2.660  -3.840   1.737  1.00  0.00           H   new
ATOM    651  N   THR A  46      -0.590  -5.964   1.790  1.00  0.00           N
ATOM    652  CA  THR A  46      -0.829  -7.402   1.801  1.00  0.00           C
ATOM    653  C   THR A  46      -2.315  -7.711   1.942  1.00  0.00           C
ATOM    654  O   THR A  46      -2.772  -8.792   1.569  1.00  0.00           O
ATOM    655  CB  THR A  46      -0.062  -8.090   2.946  1.00  0.00           C
ATOM    656  OG1 THR A  46      -0.614  -7.701   4.209  1.00  0.00           O
ATOM    657  CG2 THR A  46       1.415  -7.731   2.900  1.00  0.00           C
ATOM      0  H   THR A  46      -0.658  -5.518   2.705  1.00  0.00           H   new
ATOM      0  HA  THR A  46      -0.469  -7.790   0.848  1.00  0.00           H   new
ATOM      0  HB  THR A  46      -0.161  -9.169   2.824  1.00  0.00           H   new
ATOM      0  HG1 THR A  46      -0.122  -8.144   4.931  1.00  0.00           H   new
ATOM      0 HG21 THR A  46       1.936  -8.228   3.718  1.00  0.00           H   new
ATOM      0 HG22 THR A  46       1.839  -8.055   1.949  1.00  0.00           H   new
ATOM      0 HG23 THR A  46       1.530  -6.652   2.999  1.00  0.00           H   new
ATOM    665  N   ARG A  47      -3.065  -6.756   2.483  1.00  0.00           N
ATOM    666  CA  ARG A  47      -4.500  -6.928   2.673  1.00  0.00           C
ATOM    667  C   ARG A  47      -5.269  -5.732   2.120  1.00  0.00           C
ATOM    668  O   ARG A  47      -4.963  -4.583   2.438  1.00  0.00           O
ATOM    669  CB  ARG A  47      -4.821  -7.111   4.158  1.00  0.00           C
ATOM    670  CG  ARG A  47      -4.225  -8.374   4.758  1.00  0.00           C
ATOM    671  CD  ARG A  47      -4.681  -8.576   6.195  1.00  0.00           C
ATOM    672  NE  ARG A  47      -6.133  -8.696   6.297  1.00  0.00           N
ATOM    673  CZ  ARG A  47      -6.952  -7.655   6.385  1.00  0.00           C
ATOM    674  NH1 ARG A  47      -6.465  -6.422   6.384  1.00  0.00           N
ATOM    675  NH2 ARG A  47      -8.262  -7.845   6.475  1.00  0.00           N
ATOM      0  H   ARG A  47      -2.703  -5.856   2.797  1.00  0.00           H   new
ATOM      0  HA  ARG A  47      -4.809  -7.820   2.128  1.00  0.00           H   new
ATOM      0  HB2 ARG A  47      -4.451  -6.247   4.710  1.00  0.00           H   new
ATOM      0  HB3 ARG A  47      -5.903  -7.133   4.287  1.00  0.00           H   new
ATOM      0  HG2 ARG A  47      -4.516  -9.236   4.158  1.00  0.00           H   new
ATOM      0  HG3 ARG A  47      -3.137  -8.316   4.725  1.00  0.00           H   new
ATOM      0  HD2 ARG A  47      -4.214  -9.473   6.601  1.00  0.00           H   new
ATOM      0  HD3 ARG A  47      -4.343  -7.737   6.804  1.00  0.00           H   new
ATOM      0  HE  ARG A  47      -6.540  -9.631   6.301  1.00  0.00           H   new
ATOM      0 HH11 ARG A  47      -5.459  -6.271   6.315  1.00  0.00           H   new
ATOM      0 HH12 ARG A  47      -7.097  -5.624   6.452  1.00  0.00           H   new
ATOM      0 HH21 ARG A  47      -8.641  -8.792   6.477  1.00  0.00           H   new
ATOM      0 HH22 ARG A  47      -8.890  -7.044   6.543  1.00  0.00           H   new
ATOM    689  N   MET A  48      -6.268  -6.010   1.289  1.00  0.00           N
ATOM    690  CA  MET A  48      -7.081  -4.957   0.691  1.00  0.00           C
ATOM    691  C   MET A  48      -8.525  -5.046   1.173  1.00  0.00           C
ATOM    692  O   MET A  48      -9.284  -5.907   0.731  1.00  0.00           O
ATOM    693  CB  MET A  48      -7.033  -5.050  -0.835  1.00  0.00           C
ATOM    694  CG  MET A  48      -5.774  -4.451  -1.441  1.00  0.00           C
ATOM    695  SD  MET A  48      -5.972  -4.039  -3.186  1.00  0.00           S
ATOM    696  CE  MET A  48      -4.644  -2.857  -3.407  1.00  0.00           C
ATOM      0  H   MET A  48      -6.534  -6.956   1.014  1.00  0.00           H   new
ATOM      0  HA  MET A  48      -6.672  -3.996   1.001  1.00  0.00           H   new
ATOM      0  HB2 MET A  48      -7.105  -6.097  -1.129  1.00  0.00           H   new
ATOM      0  HB3 MET A  48      -7.903  -4.541  -1.249  1.00  0.00           H   new
ATOM      0  HG2 MET A  48      -5.501  -3.552  -0.888  1.00  0.00           H   new
ATOM      0  HG3 MET A  48      -4.950  -5.156  -1.329  1.00  0.00           H   new
ATOM      0  HE1 MET A  48      -4.934  -2.120  -4.155  1.00  0.00           H   new
ATOM      0  HE2 MET A  48      -4.443  -2.354  -2.461  1.00  0.00           H   new
ATOM      0  HE3 MET A  48      -3.746  -3.377  -3.739  1.00  0.00           H   new
ATOM    706  N   ASN A  49      -8.898  -4.150   2.081  1.00  0.00           N
ATOM    707  CA  ASN A  49     -10.252  -4.128   2.623  1.00  0.00           C
ATOM    708  C   ASN A  49     -11.230  -3.523   1.620  1.00  0.00           C
ATOM    709  O   ASN A  49     -11.036  -2.402   1.148  1.00  0.00           O
ATOM    710  CB  ASN A  49     -10.288  -3.334   3.930  1.00  0.00           C
ATOM    711  CG  ASN A  49      -9.132  -3.681   4.849  1.00  0.00           C
ATOM    712  OD1 ASN A  49      -8.642  -4.810   4.849  1.00  0.00           O
ATOM    713  ND2 ASN A  49      -8.691  -2.707   5.638  1.00  0.00           N
ATOM      0  H   ASN A  49      -8.282  -3.430   2.457  1.00  0.00           H   new
ATOM      0  HA  ASN A  49     -10.553  -5.156   2.822  1.00  0.00           H   new
ATOM      0  HB2 ASN A  49     -10.262  -2.268   3.705  1.00  0.00           H   new
ATOM      0  HB3 ASN A  49     -11.229  -3.529   4.445  1.00  0.00           H   new
ATOM      0 HD21 ASN A  49      -7.916  -2.880   6.278  1.00  0.00           H   new
ATOM      0 HD22 ASN A  49      -9.128  -1.786   5.604  1.00  0.00           H   new
ATOM    720  N   ILE A  50     -12.280  -4.272   1.300  1.00  0.00           N
ATOM    721  CA  ILE A  50     -13.288  -3.808   0.355  1.00  0.00           C
ATOM    722  C   ILE A  50     -13.701  -2.371   0.653  1.00  0.00           C
ATOM    723  O   ILE A  50     -13.742  -1.528  -0.243  1.00  0.00           O
ATOM    724  CB  ILE A  50     -14.540  -4.706   0.383  1.00  0.00           C
ATOM    725  CG1 ILE A  50     -14.181  -6.131  -0.042  1.00  0.00           C
ATOM    726  CG2 ILE A  50     -15.621  -4.134  -0.522  1.00  0.00           C
ATOM    727  CD1 ILE A  50     -13.786  -6.247  -1.498  1.00  0.00           C
ATOM      0  H   ILE A  50     -12.455  -5.202   1.681  1.00  0.00           H   new
ATOM      0  HA  ILE A  50     -12.837  -3.856  -0.636  1.00  0.00           H   new
ATOM      0  HB  ILE A  50     -14.925  -4.737   1.402  1.00  0.00           H   new
ATOM      0 HG12 ILE A  50     -13.360  -6.490   0.578  1.00  0.00           H   new
ATOM      0 HG13 ILE A  50     -15.033  -6.784   0.148  1.00  0.00           H   new
ATOM      0 HG21 ILE A  50     -16.499  -4.779  -0.492  1.00  0.00           H   new
ATOM      0 HG22 ILE A  50     -15.892  -3.136  -0.179  1.00  0.00           H   new
ATOM      0 HG23 ILE A  50     -15.247  -4.077  -1.544  1.00  0.00           H   new
ATOM      0 HD11 ILE A  50     -13.545  -7.285  -1.728  1.00  0.00           H   new
ATOM      0 HD12 ILE A  50     -14.614  -5.919  -2.127  1.00  0.00           H   new
ATOM      0 HD13 ILE A  50     -12.914  -5.621  -1.690  1.00  0.00           H   new
ATOM    739  N   ASN A  51     -14.004  -2.097   1.917  1.00  0.00           N
ATOM    740  CA  ASN A  51     -14.413  -0.761   2.334  1.00  0.00           C
ATOM    741  C   ASN A  51     -13.625   0.308   1.582  1.00  0.00           C
ATOM    742  O   ASN A  51     -14.196   1.269   1.068  1.00  0.00           O
ATOM    743  CB  ASN A  51     -14.214  -0.591   3.841  1.00  0.00           C
ATOM    744  CG  ASN A  51     -12.832  -0.072   4.187  1.00  0.00           C
ATOM    745  OD1 ASN A  51     -11.836  -0.783   4.045  1.00  0.00           O
ATOM    746  ND2 ASN A  51     -12.764   1.173   4.645  1.00  0.00           N
ATOM      0  H   ASN A  51     -13.974  -2.783   2.671  1.00  0.00           H   new
ATOM      0  HA  ASN A  51     -15.471  -0.642   2.098  1.00  0.00           H   new
ATOM      0  HB2 ASN A  51     -14.965   0.097   4.228  1.00  0.00           H   new
ATOM      0  HB3 ASN A  51     -14.374  -1.549   4.336  1.00  0.00           H   new
ATOM      0 HD21 ASN A  51     -11.861   1.576   4.895  1.00  0.00           H   new
ATOM      0 HD22 ASN A  51     -13.615   1.726   4.747  1.00  0.00           H   new
ATOM    753  N   GLY A  52     -12.308   0.132   1.521  1.00  0.00           N
ATOM    754  CA  GLY A  52     -11.463   1.088   0.830  1.00  0.00           C
ATOM    755  C   GLY A  52     -10.089   1.207   1.458  1.00  0.00           C
ATOM    756  O   GLY A  52      -9.076   1.174   0.760  1.00  0.00           O
ATOM      0  H   GLY A  52     -11.812  -0.656   1.938  1.00  0.00           H   new
ATOM      0  HA2 GLY A  52     -11.358   0.788  -0.213  1.00  0.00           H   new
ATOM      0  HA3 GLY A  52     -11.947   2.065   0.834  1.00  0.00           H   new
ATOM    760  N   GLN A  53     -10.054   1.348   2.779  1.00  0.00           N
ATOM    761  CA  GLN A  53      -8.793   1.476   3.501  1.00  0.00           C
ATOM    762  C   GLN A  53      -8.035   0.153   3.509  1.00  0.00           C
ATOM    763  O   GLN A  53      -8.520  -0.848   4.037  1.00  0.00           O
ATOM    764  CB  GLN A  53      -9.047   1.941   4.936  1.00  0.00           C
ATOM    765  CG  GLN A  53      -9.041   3.453   5.095  1.00  0.00           C
ATOM    766  CD  GLN A  53      -9.940   3.925   6.221  1.00  0.00           C
ATOM    767  OE1 GLN A  53     -11.163   3.962   6.080  1.00  0.00           O
ATOM    768  NE2 GLN A  53      -9.338   4.288   7.347  1.00  0.00           N
ATOM      0  H   GLN A  53     -10.884   1.377   3.371  1.00  0.00           H   new
ATOM      0  HA  GLN A  53      -8.183   2.220   2.989  1.00  0.00           H   new
ATOM      0  HB2 GLN A  53     -10.009   1.553   5.270  1.00  0.00           H   new
ATOM      0  HB3 GLN A  53      -8.286   1.512   5.588  1.00  0.00           H   new
ATOM      0  HG2 GLN A  53      -8.022   3.791   5.283  1.00  0.00           H   new
ATOM      0  HG3 GLN A  53      -9.362   3.914   4.161  1.00  0.00           H   new
ATOM      0 HE21 GLN A  53      -8.322   4.241   7.420  1.00  0.00           H   new
ATOM      0 HE22 GLN A  53      -9.892   4.614   8.139  1.00  0.00           H   new
ATOM    777  N   TRP A  54      -6.844   0.156   2.922  1.00  0.00           N
ATOM    778  CA  TRP A  54      -6.018  -1.045   2.862  1.00  0.00           C
ATOM    779  C   TRP A  54      -4.893  -0.984   3.888  1.00  0.00           C
ATOM    780  O   TRP A  54      -4.487   0.097   4.313  1.00  0.00           O
ATOM    781  CB  TRP A  54      -5.436  -1.219   1.458  1.00  0.00           C
ATOM    782  CG  TRP A  54      -6.412  -0.900   0.366  1.00  0.00           C
ATOM    783  CD1 TRP A  54      -7.759  -1.124   0.380  1.00  0.00           C
ATOM    784  CD2 TRP A  54      -6.116  -0.299  -0.899  1.00  0.00           C
ATOM    785  NE1 TRP A  54      -8.318  -0.700  -0.802  1.00  0.00           N
ATOM    786  CE2 TRP A  54      -7.331  -0.189  -1.603  1.00  0.00           C
ATOM    787  CE3 TRP A  54      -4.943   0.157  -1.506  1.00  0.00           C
ATOM    788  CZ2 TRP A  54      -7.404   0.358  -2.881  1.00  0.00           C
ATOM    789  CZ3 TRP A  54      -5.017   0.699  -2.775  1.00  0.00           C
ATOM    790  CH2 TRP A  54      -6.240   0.797  -3.451  1.00  0.00           C
ATOM      0  H   TRP A  54      -6.428   0.976   2.481  1.00  0.00           H   new
ATOM      0  HA  TRP A  54      -6.650  -1.902   3.095  1.00  0.00           H   new
ATOM      0  HB2 TRP A  54      -4.562  -0.577   1.353  1.00  0.00           H   new
ATOM      0  HB3 TRP A  54      -5.093  -2.247   1.340  1.00  0.00           H   new
ATOM      0  HD1 TRP A  54      -8.305  -1.569   1.199  1.00  0.00           H   new
ATOM      0  HE1 TRP A  54      -9.307  -0.757  -1.044  1.00  0.00           H   new
ATOM      0  HE3 TRP A  54      -3.995   0.087  -0.993  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  54      -8.346   0.433  -3.404  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  54      -4.116   1.053  -3.254  1.00  0.00           H   new
ATOM      0  HH2 TRP A  54      -6.265   1.227  -4.441  1.00  0.00           H   new
ATOM    801  N   GLU A  55      -4.393  -2.151   4.282  1.00  0.00           N
ATOM    802  CA  GLU A  55      -3.314  -2.229   5.260  1.00  0.00           C
ATOM    803  C   GLU A  55      -1.966  -2.418   4.570  1.00  0.00           C
ATOM    804  O   GLU A  55      -1.738  -3.420   3.894  1.00  0.00           O
ATOM    805  CB  GLU A  55      -3.564  -3.378   6.239  1.00  0.00           C
ATOM    806  CG  GLU A  55      -2.655  -3.350   7.456  1.00  0.00           C
ATOM    807  CD  GLU A  55      -2.613  -4.679   8.184  1.00  0.00           C
ATOM    808  OE1 GLU A  55      -3.495  -4.918   9.035  1.00  0.00           O
ATOM    809  OE2 GLU A  55      -1.697  -5.481   7.902  1.00  0.00           O
ATOM      0  H   GLU A  55      -4.718  -3.055   3.939  1.00  0.00           H   new
ATOM      0  HA  GLU A  55      -3.291  -1.290   5.812  1.00  0.00           H   new
ATOM      0  HB2 GLU A  55      -4.602  -3.342   6.570  1.00  0.00           H   new
ATOM      0  HB3 GLU A  55      -3.429  -4.325   5.717  1.00  0.00           H   new
ATOM      0  HG2 GLU A  55      -1.646  -3.078   7.145  1.00  0.00           H   new
ATOM      0  HG3 GLU A  55      -2.997  -2.575   8.142  1.00  0.00           H   new
ATOM    816  N   GLY A  56      -1.076  -1.446   4.745  1.00  0.00           N
ATOM    817  CA  GLY A  56       0.237  -1.523   4.132  1.00  0.00           C
ATOM    818  C   GLY A  56       1.349  -1.169   5.099  1.00  0.00           C
ATOM    819  O   GLY A  56       1.102  -0.577   6.149  1.00  0.00           O
ATOM      0  H   GLY A  56      -1.241  -0.607   5.300  1.00  0.00           H   new
ATOM      0  HA2 GLY A  56       0.398  -2.531   3.751  1.00  0.00           H   new
ATOM      0  HA3 GLY A  56       0.275  -0.849   3.276  1.00  0.00           H   new
ATOM    823  N   GLU A  57       2.578  -1.533   4.745  1.00  0.00           N
ATOM    824  CA  GLU A  57       3.731  -1.251   5.592  1.00  0.00           C
ATOM    825  C   GLU A  57       4.899  -0.724   4.763  1.00  0.00           C
ATOM    826  O   GLU A  57       5.410  -1.414   3.881  1.00  0.00           O
ATOM    827  CB  GLU A  57       4.157  -2.512   6.348  1.00  0.00           C
ATOM    828  CG  GLU A  57       5.500  -2.378   7.046  1.00  0.00           C
ATOM    829  CD  GLU A  57       6.112  -3.721   7.396  1.00  0.00           C
ATOM    830  OE1 GLU A  57       5.736  -4.727   6.758  1.00  0.00           O
ATOM    831  OE2 GLU A  57       6.965  -3.766   8.306  1.00  0.00           O
ATOM      0  H   GLU A  57       2.800  -2.023   3.879  1.00  0.00           H   new
ATOM      0  HA  GLU A  57       3.442  -0.484   6.311  1.00  0.00           H   new
ATOM      0  HB2 GLU A  57       3.395  -2.757   7.088  1.00  0.00           H   new
ATOM      0  HB3 GLU A  57       4.202  -3.347   5.649  1.00  0.00           H   new
ATOM      0  HG2 GLU A  57       6.186  -1.827   6.403  1.00  0.00           H   new
ATOM      0  HG3 GLU A  57       5.375  -1.791   7.956  1.00  0.00           H   new
ATOM    838  N   VAL A  58       5.315   0.505   5.052  1.00  0.00           N
ATOM    839  CA  VAL A  58       6.422   1.126   4.335  1.00  0.00           C
ATOM    840  C   VAL A  58       7.434   1.730   5.302  1.00  0.00           C
ATOM    841  O   VAL A  58       7.087   2.119   6.416  1.00  0.00           O
ATOM    842  CB  VAL A  58       5.924   2.225   3.377  1.00  0.00           C
ATOM    843  CG1 VAL A  58       7.094   2.876   2.656  1.00  0.00           C
ATOM    844  CG2 VAL A  58       4.925   1.653   2.383  1.00  0.00           C
ATOM      0  H   VAL A  58       4.902   1.090   5.778  1.00  0.00           H   new
ATOM      0  HA  VAL A  58       6.904   0.339   3.755  1.00  0.00           H   new
ATOM      0  HB  VAL A  58       5.419   2.992   3.964  1.00  0.00           H   new
ATOM      0 HG11 VAL A  58       6.722   3.649   1.984  1.00  0.00           H   new
ATOM      0 HG12 VAL A  58       7.768   3.323   3.386  1.00  0.00           H   new
ATOM      0 HG13 VAL A  58       7.631   2.122   2.080  1.00  0.00           H   new
ATOM      0 HG21 VAL A  58       4.584   2.443   1.714  1.00  0.00           H   new
ATOM      0 HG22 VAL A  58       5.402   0.865   1.800  1.00  0.00           H   new
ATOM      0 HG23 VAL A  58       4.072   1.240   2.921  1.00  0.00           H   new
ATOM    854  N   ASN A  59       8.687   1.806   4.867  1.00  0.00           N
ATOM    855  CA  ASN A  59       9.751   2.363   5.695  1.00  0.00           C
ATOM    856  C   ASN A  59       9.208   3.446   6.622  1.00  0.00           C
ATOM    857  O   ASN A  59       9.153   4.620   6.257  1.00  0.00           O
ATOM    858  CB  ASN A  59      10.862   2.939   4.815  1.00  0.00           C
ATOM    859  CG  ASN A  59      10.319   3.749   3.654  1.00  0.00           C
ATOM    860  OD1 ASN A  59       9.877   3.193   2.648  1.00  0.00           O
ATOM    861  ND2 ASN A  59      10.348   5.070   3.788  1.00  0.00           N
ATOM      0  H   ASN A  59       8.991   1.489   3.946  1.00  0.00           H   new
ATOM      0  HA  ASN A  59      10.161   1.559   6.306  1.00  0.00           H   new
ATOM      0  HB2 ASN A  59      11.512   3.569   5.422  1.00  0.00           H   new
ATOM      0  HB3 ASN A  59      11.476   2.125   4.430  1.00  0.00           H   new
ATOM      0 HD21 ASN A  59       9.995   5.666   3.040  1.00  0.00           H   new
ATOM      0 HD22 ASN A  59      10.723   5.488   4.639  1.00  0.00           H   new
ATOM    868  N   GLY A  60       8.809   3.043   7.825  1.00  0.00           N
ATOM    869  CA  GLY A  60       8.276   3.991   8.786  1.00  0.00           C
ATOM    870  C   GLY A  60       7.351   3.337   9.793  1.00  0.00           C
ATOM    871  O   GLY A  60       7.736   3.104  10.939  1.00  0.00           O
ATOM      0  H   GLY A  60       8.845   2.077   8.151  1.00  0.00           H   new
ATOM      0  HA2 GLY A  60       9.100   4.472   9.313  1.00  0.00           H   new
ATOM      0  HA3 GLY A  60       7.735   4.775   8.256  1.00  0.00           H   new
ATOM    875  N   ARG A  61       6.128   3.042   9.367  1.00  0.00           N
ATOM    876  CA  ARG A  61       5.145   2.414  10.241  1.00  0.00           C
ATOM    877  C   ARG A  61       4.101   1.654   9.428  1.00  0.00           C
ATOM    878  O   ARG A  61       4.206   1.549   8.206  1.00  0.00           O
ATOM    879  CB  ARG A  61       4.460   3.468  11.113  1.00  0.00           C
ATOM    880  CG  ARG A  61       5.109   3.646  12.476  1.00  0.00           C
ATOM    881  CD  ARG A  61       4.952   5.070  12.986  1.00  0.00           C
ATOM    882  NE  ARG A  61       6.061   5.925  12.572  1.00  0.00           N
ATOM    883  CZ  ARG A  61       6.385   7.057  13.187  1.00  0.00           C
ATOM    884  NH1 ARG A  61       5.689   7.468  14.238  1.00  0.00           N
ATOM    885  NH2 ARG A  61       7.408   7.781  12.751  1.00  0.00           N
ATOM      0  H   ARG A  61       5.794   3.228   8.421  1.00  0.00           H   new
ATOM      0  HA  ARG A  61       5.667   1.704  10.883  1.00  0.00           H   new
ATOM      0  HB2 ARG A  61       4.469   4.423  10.588  1.00  0.00           H   new
ATOM      0  HB3 ARG A  61       3.415   3.190  11.251  1.00  0.00           H   new
ATOM      0  HG2 ARG A  61       4.661   2.952  13.187  1.00  0.00           H   new
ATOM      0  HG3 ARG A  61       6.168   3.396  12.411  1.00  0.00           H   new
ATOM      0  HD2 ARG A  61       4.015   5.486  12.616  1.00  0.00           H   new
ATOM      0  HD3 ARG A  61       4.888   5.060  14.074  1.00  0.00           H   new
ATOM      0  HE  ARG A  61       6.617   5.637  11.767  1.00  0.00           H   new
ATOM      0 HH11 ARG A  61       4.902   6.914  14.577  1.00  0.00           H   new
ATOM      0 HH12 ARG A  61       5.941   8.338  14.708  1.00  0.00           H   new
ATOM      0 HH21 ARG A  61       7.946   7.468  11.943  1.00  0.00           H   new
ATOM      0 HH22 ARG A  61       7.656   8.650  13.224  1.00  0.00           H   new
ATOM    899  N   LYS A  62       3.093   1.126  10.114  1.00  0.00           N
ATOM    900  CA  LYS A  62       2.029   0.376   9.458  1.00  0.00           C
ATOM    901  C   LYS A  62       0.672   1.026   9.708  1.00  0.00           C
ATOM    902  O   LYS A  62       0.195   1.072  10.841  1.00  0.00           O
ATOM    903  CB  LYS A  62       2.014  -1.070   9.956  1.00  0.00           C
ATOM    904  CG  LYS A  62       3.382  -1.731   9.949  1.00  0.00           C
ATOM    905  CD  LYS A  62       3.403  -2.979  10.815  1.00  0.00           C
ATOM    906  CE  LYS A  62       4.811  -3.307  11.286  1.00  0.00           C
ATOM    907  NZ  LYS A  62       5.214  -2.475  12.453  1.00  0.00           N
ATOM      0  H   LYS A  62       2.991   1.204  11.126  1.00  0.00           H   new
ATOM      0  HA  LYS A  62       2.223   0.381   8.385  1.00  0.00           H   new
ATOM      0  HB2 LYS A  62       1.615  -1.092  10.970  1.00  0.00           H   new
ATOM      0  HB3 LYS A  62       1.335  -1.653   9.333  1.00  0.00           H   new
ATOM      0  HG2 LYS A  62       3.656  -1.992   8.927  1.00  0.00           H   new
ATOM      0  HG3 LYS A  62       4.130  -1.025  10.309  1.00  0.00           H   new
ATOM      0  HD2 LYS A  62       2.754  -2.835  11.679  1.00  0.00           H   new
ATOM      0  HD3 LYS A  62       3.001  -3.821  10.251  1.00  0.00           H   new
ATOM      0  HE2 LYS A  62       4.867  -4.362  11.555  1.00  0.00           H   new
ATOM      0  HE3 LYS A  62       5.514  -3.149  10.468  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  62       6.180  -2.729  12.744  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  62       5.185  -1.469  12.189  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  62       4.559  -2.644  13.243  1.00  0.00           H   new
ATOM    921  N   GLY A  63       0.053   1.525   8.642  1.00  0.00           N
ATOM    922  CA  GLY A  63      -1.244   2.164   8.768  1.00  0.00           C
ATOM    923  C   GLY A  63      -2.052   2.092   7.488  1.00  0.00           C
ATOM    924  O   GLY A  63      -1.541   1.684   6.444  1.00  0.00           O
ATOM      0  H   GLY A  63       0.427   1.498   7.693  1.00  0.00           H   new
ATOM      0  HA2 GLY A  63      -1.803   1.689   9.574  1.00  0.00           H   new
ATOM      0  HA3 GLY A  63      -1.106   3.208   9.048  1.00  0.00           H   new
ATOM    928  N   LEU A  64      -3.318   2.487   7.567  1.00  0.00           N
ATOM    929  CA  LEU A  64      -4.200   2.464   6.405  1.00  0.00           C
ATOM    930  C   LEU A  64      -4.040   3.734   5.575  1.00  0.00           C
ATOM    931  O   LEU A  64      -3.794   4.813   6.113  1.00  0.00           O
ATOM    932  CB  LEU A  64      -5.656   2.312   6.849  1.00  0.00           C
ATOM    933  CG  LEU A  64      -5.946   1.163   7.815  1.00  0.00           C
ATOM    934  CD1 LEU A  64      -7.377   1.242   8.324  1.00  0.00           C
ATOM    935  CD2 LEU A  64      -5.692  -0.178   7.141  1.00  0.00           C
ATOM      0  H   LEU A  64      -3.757   2.827   8.423  1.00  0.00           H   new
ATOM      0  HA  LEU A  64      -3.924   1.610   5.786  1.00  0.00           H   new
ATOM      0  HB2 LEU A  64      -5.971   3.244   7.319  1.00  0.00           H   new
ATOM      0  HB3 LEU A  64      -6.274   2.178   5.961  1.00  0.00           H   new
ATOM      0  HG  LEU A  64      -5.273   1.252   8.668  1.00  0.00           H   new
ATOM      0 HD11 LEU A  64      -7.565   0.416   9.010  1.00  0.00           H   new
ATOM      0 HD12 LEU A  64      -7.526   2.188   8.845  1.00  0.00           H   new
ATOM      0 HD13 LEU A  64      -8.067   1.179   7.482  1.00  0.00           H   new
ATOM      0 HD21 LEU A  64      -5.904  -0.984   7.843  1.00  0.00           H   new
ATOM      0 HD22 LEU A  64      -6.340  -0.276   6.270  1.00  0.00           H   new
ATOM      0 HD23 LEU A  64      -4.650  -0.235   6.826  1.00  0.00           H   new
ATOM    947  N   PHE A  65      -4.184   3.597   4.261  1.00  0.00           N
ATOM    948  CA  PHE A  65      -4.056   4.734   3.355  1.00  0.00           C
ATOM    949  C   PHE A  65      -5.136   4.695   2.278  1.00  0.00           C
ATOM    950  O   PHE A  65      -5.517   3.634   1.784  1.00  0.00           O
ATOM    951  CB  PHE A  65      -2.671   4.742   2.705  1.00  0.00           C
ATOM    952  CG  PHE A  65      -2.346   3.472   1.973  1.00  0.00           C
ATOM    953  CD1 PHE A  65      -1.832   2.378   2.650  1.00  0.00           C
ATOM    954  CD2 PHE A  65      -2.552   3.372   0.606  1.00  0.00           C
ATOM    955  CE1 PHE A  65      -1.532   1.207   1.979  1.00  0.00           C
ATOM    956  CE2 PHE A  65      -2.254   2.204  -0.070  1.00  0.00           C
ATOM    957  CZ  PHE A  65      -1.742   1.121   0.617  1.00  0.00           C
ATOM      0  H   PHE A  65      -4.389   2.711   3.799  1.00  0.00           H   new
ATOM      0  HA  PHE A  65      -4.181   5.647   3.937  1.00  0.00           H   new
ATOM      0  HB2 PHE A  65      -2.610   5.579   2.009  1.00  0.00           H   new
ATOM      0  HB3 PHE A  65      -1.918   4.911   3.475  1.00  0.00           H   new
ATOM      0  HD1 PHE A  65      -1.664   2.441   3.715  1.00  0.00           H   new
ATOM      0  HD2 PHE A  65      -2.950   4.216   0.063  1.00  0.00           H   new
ATOM      0  HE1 PHE A  65      -1.134   0.361   2.519  1.00  0.00           H   new
ATOM      0  HE2 PHE A  65      -2.421   2.138  -1.135  1.00  0.00           H   new
ATOM      0  HZ  PHE A  65      -1.506   0.208   0.090  1.00  0.00           H   new
ATOM    967  N   PRO A  66      -5.642   5.880   1.906  1.00  0.00           N
ATOM    968  CA  PRO A  66      -6.685   6.009   0.884  1.00  0.00           C
ATOM    969  C   PRO A  66      -6.172   5.678  -0.514  1.00  0.00           C
ATOM    970  O   PRO A  66      -5.015   5.945  -0.840  1.00  0.00           O
ATOM    971  CB  PRO A  66      -7.087   7.483   0.971  1.00  0.00           C
ATOM    972  CG  PRO A  66      -5.886   8.171   1.523  1.00  0.00           C
ATOM    973  CD  PRO A  66      -5.235   7.185   2.453  1.00  0.00           C
ATOM      0  HA  PRO A  66      -7.510   5.317   1.055  1.00  0.00           H   new
ATOM      0  HB2 PRO A  66      -7.355   7.879  -0.009  1.00  0.00           H   new
ATOM      0  HB3 PRO A  66      -7.954   7.620   1.618  1.00  0.00           H   new
ATOM      0  HG2 PRO A  66      -5.203   8.465   0.725  1.00  0.00           H   new
ATOM      0  HG3 PRO A  66      -6.167   9.081   2.053  1.00  0.00           H   new
ATOM      0  HD2 PRO A  66      -4.151   7.296   2.462  1.00  0.00           H   new
ATOM      0  HD3 PRO A  66      -5.577   7.315   3.480  1.00  0.00           H   new
ATOM    981  N   PHE A  67      -7.039   5.096  -1.335  1.00  0.00           N
ATOM    982  CA  PHE A  67      -6.673   4.728  -2.698  1.00  0.00           C
ATOM    983  C   PHE A  67      -6.667   5.953  -3.608  1.00  0.00           C
ATOM    984  O   PHE A  67      -6.214   5.889  -4.752  1.00  0.00           O
ATOM    985  CB  PHE A  67      -7.643   3.678  -3.244  1.00  0.00           C
ATOM    986  CG  PHE A  67      -9.046   4.187  -3.412  1.00  0.00           C
ATOM    987  CD1 PHE A  67      -9.394   4.941  -4.522  1.00  0.00           C
ATOM    988  CD2 PHE A  67     -10.016   3.912  -2.462  1.00  0.00           C
ATOM    989  CE1 PHE A  67     -10.684   5.411  -4.679  1.00  0.00           C
ATOM    990  CE2 PHE A  67     -11.307   4.380  -2.614  1.00  0.00           C
ATOM    991  CZ  PHE A  67     -11.642   5.130  -3.725  1.00  0.00           C
ATOM      0  H   PHE A  67      -8.000   4.869  -1.081  1.00  0.00           H   new
ATOM      0  HA  PHE A  67      -5.668   4.307  -2.677  1.00  0.00           H   new
ATOM      0  HB2 PHE A  67      -7.276   3.322  -4.207  1.00  0.00           H   new
ATOM      0  HB3 PHE A  67      -7.654   2.821  -2.571  1.00  0.00           H   new
ATOM      0  HD1 PHE A  67      -8.649   5.163  -5.272  1.00  0.00           H   new
ATOM      0  HD2 PHE A  67      -9.760   3.325  -1.592  1.00  0.00           H   new
ATOM      0  HE1 PHE A  67     -10.943   5.998  -5.548  1.00  0.00           H   new
ATOM      0  HE2 PHE A  67     -12.054   4.160  -1.865  1.00  0.00           H   new
ATOM      0  HZ  PHE A  67     -12.651   5.496  -3.847  1.00  0.00           H   new
ATOM   1001  N   THR A  68      -7.174   7.069  -3.093  1.00  0.00           N
ATOM   1002  CA  THR A  68      -7.229   8.308  -3.859  1.00  0.00           C
ATOM   1003  C   THR A  68      -5.938   9.103  -3.711  1.00  0.00           C
ATOM   1004  O   THR A  68      -5.849  10.250  -4.151  1.00  0.00           O
ATOM   1005  CB  THR A  68      -8.414   9.188  -3.418  1.00  0.00           C
ATOM   1006  OG1 THR A  68      -8.440   9.296  -1.991  1.00  0.00           O
ATOM   1007  CG2 THR A  68      -9.732   8.609  -3.912  1.00  0.00           C
ATOM      0  H   THR A  68      -7.552   7.140  -2.148  1.00  0.00           H   new
ATOM      0  HA  THR A  68      -7.362   8.028  -4.904  1.00  0.00           H   new
ATOM      0  HB  THR A  68      -8.284  10.178  -3.854  1.00  0.00           H   new
ATOM      0  HG1 THR A  68      -9.195   9.858  -1.719  1.00  0.00           H   new
ATOM      0 HG21 THR A  68     -10.554   9.248  -3.588  1.00  0.00           H   new
ATOM      0 HG22 THR A  68      -9.721   8.556  -5.001  1.00  0.00           H   new
ATOM      0 HG23 THR A  68      -9.866   7.608  -3.501  1.00  0.00           H   new
ATOM   1015  N   HIS A  69      -4.937   8.488  -3.090  1.00  0.00           N
ATOM   1016  CA  HIS A  69      -3.648   9.139  -2.885  1.00  0.00           C
ATOM   1017  C   HIS A  69      -2.551   8.434  -3.678  1.00  0.00           C
ATOM   1018  O   HIS A  69      -1.627   9.073  -4.183  1.00  0.00           O
ATOM   1019  CB  HIS A  69      -3.290   9.153  -1.399  1.00  0.00           C
ATOM   1020  CG  HIS A  69      -2.403  10.295  -1.007  1.00  0.00           C
ATOM   1021  ND1 HIS A  69      -2.885  11.543  -0.674  1.00  0.00           N
ATOM   1022  CD2 HIS A  69      -1.056  10.371  -0.896  1.00  0.00           C
ATOM   1023  CE1 HIS A  69      -1.873  12.338  -0.376  1.00  0.00           C
ATOM   1024  NE2 HIS A  69      -0.752  11.651  -0.502  1.00  0.00           N
ATOM      0  H   HIS A  69      -4.994   7.539  -2.720  1.00  0.00           H   new
ATOM      0  HA  HIS A  69      -3.727  10.166  -3.241  1.00  0.00           H   new
ATOM      0  HB2 HIS A  69      -4.208   9.199  -0.813  1.00  0.00           H   new
ATOM      0  HB3 HIS A  69      -2.796   8.216  -1.144  1.00  0.00           H   new
ATOM      0  HD1 HIS A  69      -3.869  11.811  -0.660  1.00  0.00           H   new
ATOM      0  HD2 HIS A  69      -0.352   9.574  -1.083  1.00  0.00           H   new
ATOM      0  HE1 HIS A  69      -1.949  13.374  -0.080  1.00  0.00           H   new
ATOM   1033  N   VAL A  70      -2.659   7.114  -3.783  1.00  0.00           N
ATOM   1034  CA  VAL A  70      -1.677   6.322  -4.514  1.00  0.00           C
ATOM   1035  C   VAL A  70      -2.260   5.793  -5.820  1.00  0.00           C
ATOM   1036  O   VAL A  70      -3.465   5.566  -5.928  1.00  0.00           O
ATOM   1037  CB  VAL A  70      -1.172   5.135  -3.672  1.00  0.00           C
ATOM   1038  CG1 VAL A  70      -0.742   5.606  -2.291  1.00  0.00           C
ATOM   1039  CG2 VAL A  70      -2.245   4.062  -3.568  1.00  0.00           C
ATOM      0  H   VAL A  70      -3.417   6.570  -3.371  1.00  0.00           H   new
ATOM      0  HA  VAL A  70      -0.839   6.983  -4.734  1.00  0.00           H   new
ATOM      0  HB  VAL A  70      -0.304   4.702  -4.169  1.00  0.00           H   new
ATOM      0 HG11 VAL A  70      -0.388   4.754  -1.710  1.00  0.00           H   new
ATOM      0 HG12 VAL A  70       0.061   6.337  -2.389  1.00  0.00           H   new
ATOM      0 HG13 VAL A  70      -1.590   6.065  -1.783  1.00  0.00           H   new
ATOM      0 HG21 VAL A  70      -1.872   3.231  -2.970  1.00  0.00           H   new
ATOM      0 HG22 VAL A  70      -3.133   4.480  -3.094  1.00  0.00           H   new
ATOM      0 HG23 VAL A  70      -2.501   3.705  -4.566  1.00  0.00           H   new
ATOM   1049  N   LYS A  71      -1.396   5.597  -6.811  1.00  0.00           N
ATOM   1050  CA  LYS A  71      -1.823   5.093  -8.110  1.00  0.00           C
ATOM   1051  C   LYS A  71      -1.276   3.690  -8.356  1.00  0.00           C
ATOM   1052  O   LYS A  71      -0.077   3.448  -8.214  1.00  0.00           O
ATOM   1053  CB  LYS A  71      -1.360   6.035  -9.223  1.00  0.00           C
ATOM   1054  CG  LYS A  71      -2.080   5.817 -10.543  1.00  0.00           C
ATOM   1055  CD  LYS A  71      -1.663   6.846 -11.581  1.00  0.00           C
ATOM   1056  CE  LYS A  71      -2.374   8.173 -11.367  1.00  0.00           C
ATOM   1057  NZ  LYS A  71      -1.727   9.278 -12.128  1.00  0.00           N
ATOM      0  H   LYS A  71      -0.395   5.780  -6.738  1.00  0.00           H   new
ATOM      0  HA  LYS A  71      -2.912   5.045  -8.113  1.00  0.00           H   new
ATOM      0  HB2 LYS A  71      -1.512   7.066  -8.902  1.00  0.00           H   new
ATOM      0  HB3 LYS A  71      -0.289   5.903  -9.377  1.00  0.00           H   new
ATOM      0  HG2 LYS A  71      -1.865   4.815 -10.915  1.00  0.00           H   new
ATOM      0  HG3 LYS A  71      -3.157   5.874 -10.385  1.00  0.00           H   new
ATOM      0  HD2 LYS A  71      -0.585   6.998 -11.532  1.00  0.00           H   new
ATOM      0  HD3 LYS A  71      -1.887   6.469 -12.579  1.00  0.00           H   new
ATOM      0  HE2 LYS A  71      -3.415   8.081 -11.675  1.00  0.00           H   new
ATOM      0  HE3 LYS A  71      -2.376   8.417 -10.305  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  71      -2.241  10.166 -11.956  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  71      -0.740   9.383 -11.816  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  71      -1.747   9.058 -13.144  1.00  0.00           H   new
ATOM   1071  N   ILE A  72      -2.161   2.771  -8.725  1.00  0.00           N
ATOM   1072  CA  ILE A  72      -1.766   1.394  -8.993  1.00  0.00           C
ATOM   1073  C   ILE A  72      -0.996   1.288 -10.305  1.00  0.00           C
ATOM   1074  O   ILE A  72      -1.589   1.232 -11.383  1.00  0.00           O
ATOM   1075  CB  ILE A  72      -2.987   0.458  -9.051  1.00  0.00           C
ATOM   1076  CG1 ILE A  72      -3.741   0.484  -7.719  1.00  0.00           C
ATOM   1077  CG2 ILE A  72      -2.553  -0.959  -9.393  1.00  0.00           C
ATOM   1078  CD1 ILE A  72      -2.923  -0.024  -6.553  1.00  0.00           C
ATOM      0  H   ILE A  72      -3.157   2.955  -8.845  1.00  0.00           H   new
ATOM      0  HA  ILE A  72      -1.121   1.086  -8.170  1.00  0.00           H   new
ATOM      0  HB  ILE A  72      -3.659   0.810  -9.834  1.00  0.00           H   new
ATOM      0 HG12 ILE A  72      -4.060   1.505  -7.511  1.00  0.00           H   new
ATOM      0 HG13 ILE A  72      -4.644  -0.120  -7.810  1.00  0.00           H   new
ATOM      0 HG21 ILE A  72      -3.428  -1.608  -9.430  1.00  0.00           H   new
ATOM      0 HG22 ILE A  72      -2.056  -0.963 -10.363  1.00  0.00           H   new
ATOM      0 HG23 ILE A  72      -1.863  -1.322  -8.631  1.00  0.00           H   new
ATOM      0 HD11 ILE A  72      -3.520   0.023  -5.642  1.00  0.00           H   new
ATOM      0 HD12 ILE A  72      -2.626  -1.056  -6.739  1.00  0.00           H   new
ATOM      0 HD13 ILE A  72      -2.033   0.594  -6.436  1.00  0.00           H   new
ATOM   1090  N   PHE A  73       0.329   1.260 -10.207  1.00  0.00           N
ATOM   1091  CA  PHE A  73       1.181   1.160 -11.386  1.00  0.00           C
ATOM   1092  C   PHE A  73       1.790  -0.235 -11.501  1.00  0.00           C
ATOM   1093  O   PHE A  73       1.915  -0.953 -10.508  1.00  0.00           O
ATOM   1094  CB  PHE A  73       2.292   2.210 -11.329  1.00  0.00           C
ATOM   1095  CG  PHE A  73       3.507   1.758 -10.570  1.00  0.00           C
ATOM   1096  CD1 PHE A  73       3.562   1.877  -9.191  1.00  0.00           C
ATOM   1097  CD2 PHE A  73       4.593   1.214 -11.236  1.00  0.00           C
ATOM   1098  CE1 PHE A  73       4.678   1.461  -8.489  1.00  0.00           C
ATOM   1099  CE2 PHE A  73       5.712   0.795 -10.540  1.00  0.00           C
ATOM   1100  CZ  PHE A  73       5.755   0.920  -9.165  1.00  0.00           C
ATOM      0  H   PHE A  73       0.836   1.305  -9.323  1.00  0.00           H   new
ATOM      0  HA  PHE A  73       0.563   1.341 -12.266  1.00  0.00           H   new
ATOM      0  HB2 PHE A  73       2.585   2.472 -12.346  1.00  0.00           H   new
ATOM      0  HB3 PHE A  73       1.901   3.116 -10.866  1.00  0.00           H   new
ATOM      0  HD1 PHE A  73       2.723   2.300  -8.658  1.00  0.00           H   new
ATOM      0  HD2 PHE A  73       4.565   1.116 -12.311  1.00  0.00           H   new
ATOM      0  HE1 PHE A  73       4.708   1.559  -7.414  1.00  0.00           H   new
ATOM      0  HE2 PHE A  73       6.551   0.371 -11.071  1.00  0.00           H   new
ATOM      0  HZ  PHE A  73       6.629   0.596  -8.619  1.00  0.00           H   new
ATOM   1110  N   ASP A  74       2.166  -0.611 -12.718  1.00  0.00           N
ATOM   1111  CA  ASP A  74       2.762  -1.919 -12.964  1.00  0.00           C
ATOM   1112  C   ASP A  74       4.257  -1.901 -12.660  1.00  0.00           C
ATOM   1113  O   ASP A  74       5.014  -1.092 -13.196  1.00  0.00           O
ATOM   1114  CB  ASP A  74       2.529  -2.345 -14.414  1.00  0.00           C
ATOM   1115  CG  ASP A  74       1.196  -3.042 -14.606  1.00  0.00           C
ATOM   1116  OD1 ASP A  74       0.192  -2.570 -14.031  1.00  0.00           O
ATOM   1117  OD2 ASP A  74       1.156  -4.059 -15.330  1.00  0.00           O
ATOM      0  H   ASP A  74       2.069  -0.029 -13.550  1.00  0.00           H   new
ATOM      0  HA  ASP A  74       2.283  -2.639 -12.301  1.00  0.00           H   new
ATOM      0  HB2 ASP A  74       2.573  -1.467 -15.059  1.00  0.00           H   new
ATOM      0  HB3 ASP A  74       3.333  -3.011 -14.727  1.00  0.00           H   new