USER  MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=15
USER  MOD reduce.3.24.130724 removed 236 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  32 TYR OH  :   rot  180:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=    1.17  K(o=1.2,f=-1.1)
USER  MOD Set 2.1: A  24 THR OG1 :   rot  -57:sc=    1.87
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=   0.801  K(o=2.7,f=0.1)
USER  MOD Single : A   1 THR N   :NH3+   -148:sc=   0.242   (180deg=-0.071)
USER  MOD Single : A   1 THR OG1 :   rot  180:sc=   0.109
USER  MOD Single : A   2 GLN     :      amide:sc=   -1.13  X(o=-1.1,f=-1.3)
USER  MOD Single : A   3 SER OG  :   rot  180:sc=  0.0582
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -1.42  K(o=-1.4,f=-1.9!)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=  -0.316  F(o=-1.1,f=-0.32)
USER  MOD Single : A  13 TYR OH  :   rot -102:sc=  -0.588
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0198
USER  MOD Single : A  21 SER OG  :   rot  180:sc=  0.0081
USER  MOD Single : A  23 THR OG1 :   rot  -47:sc=  -0.632!
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=       0  F(o=-1.3!,f=0)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot   -5:sc=   -1.59
USER  MOD -----------------------------------------------------------------
ATOM      1  N   THR A   1       1.552  -4.035 -10.111  1.00  0.00           N
ATOM      2  CA  THR A   1       0.936  -3.357  -8.990  1.00  0.00           C
ATOM      3  C   THR A   1       1.068  -4.194  -7.725  1.00  0.00           C
ATOM      4  O   THR A   1       1.712  -5.250  -7.740  1.00  0.00           O
ATOM      5  CB  THR A   1      -0.539  -3.094  -9.293  1.00  0.00           C
ATOM      6  OG1 THR A   1      -1.136  -4.270  -9.862  1.00  0.00           O
ATOM      7  CG2 THR A   1      -0.677  -1.932 -10.241  1.00  0.00           C
ATOM      0  H1  THR A   1       1.943  -3.332 -10.770  1.00  0.00           H   new
ATOM      0  H2  THR A   1       2.317  -4.650  -9.767  1.00  0.00           H   new
ATOM      0  H3  THR A   1       0.839  -4.611 -10.602  1.00  0.00           H   new
ATOM      0  HA  THR A   1       1.445  -2.406  -8.831  1.00  0.00           H   new
ATOM      0  HB  THR A   1      -1.053  -2.848  -8.364  1.00  0.00           H   new
ATOM      0  HG1 THR A   1      -2.082  -4.097 -10.053  1.00  0.00           H   new
ATOM      0 HG21 THR A   1      -1.732  -1.755 -10.449  1.00  0.00           H   new
ATOM      0 HG22 THR A   1      -0.242  -1.040  -9.790  1.00  0.00           H   new
ATOM      0 HG23 THR A   1      -0.157  -2.158 -11.172  1.00  0.00           H   new
ATOM     17  N   GLN A   2       0.510  -3.719  -6.632  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.544  -4.451  -5.395  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.783  -5.181  -5.205  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.840  -4.673  -5.601  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.818  -3.504  -4.233  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.171  -4.249  -2.977  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.412  -5.111  -3.162  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.324  -4.776  -3.908  1.00  0.00           O
ATOM     25  NE2 GLN A   2       2.398  -6.263  -2.579  1.00  0.00           N
ATOM      0  H   GLN A   2       0.026  -2.823  -6.581  1.00  0.00           H   new
ATOM      0  HA  GLN A   2       1.348  -5.186  -5.425  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.633  -2.831  -4.497  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.061  -2.885  -4.054  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.339  -3.538  -2.168  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.332  -4.878  -2.679  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       1.625  -6.513  -1.963  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.160  -6.923  -2.734  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.723  -6.373  -4.649  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.888  -7.195  -4.433  1.00  0.00           C
ATOM     36  C   SER A   3      -2.711  -6.718  -3.231  1.00  0.00           C
ATOM     37  O   SER A   3      -2.282  -5.827  -2.465  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.439  -8.649  -4.255  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.336  -8.729  -3.347  1.00  0.00           O
ATOM      0  H   SER A   3       0.147  -6.800  -4.332  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.541  -7.116  -5.302  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.269  -9.248  -3.881  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.153  -9.068  -5.220  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -0.064  -9.665  -3.244  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.884  -7.301  -3.072  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.776  -6.971  -1.989  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.095  -7.339  -0.671  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.549  -8.429  -0.537  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.112  -7.732  -2.149  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.254  -7.169  -1.338  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.549  -7.609  -1.446  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.292  -6.155  -0.450  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.324  -6.890  -0.666  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.583  -5.998  -0.053  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.243  -8.022  -3.698  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.998  -5.904  -1.997  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.394  -7.728  -3.202  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.959  -8.773  -1.864  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.448  -5.572  -0.114  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.391  -7.013  -0.549  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -8.920  -5.302   0.612  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.087  -6.384   0.255  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.476  -6.489   1.588  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.960  -6.389   1.516  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.265  -6.586   2.516  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.909  -7.746   2.365  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.401  -7.861   2.608  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.191  -8.645   1.785  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.015  -7.188   3.655  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.544  -8.764   1.988  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.377  -7.301   3.868  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.136  -8.092   3.024  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.499  -8.214   3.226  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.523  -5.476   0.096  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.853  -5.636   2.153  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.575  -8.627   1.817  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.397  -7.756   3.327  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -5.732  -9.176   0.964  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -5.422  -6.568   4.311  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.138  -9.385   1.334  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.845  -6.775   4.687  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.764  -7.677   4.001  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.456  -6.042   0.362  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.050  -5.852   0.215  1.00  0.00           C
ATOM     86  C   GLY A   6       0.319  -4.428   0.510  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.565  -3.558   0.578  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.003  -5.887  -0.485  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.486  -6.520   0.889  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.254  -6.111  -0.799  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.584  -4.175   0.693  1.00  0.00           N
ATOM     92  CA  GLN A   7       2.048  -2.852   0.989  1.00  0.00           C
ATOM     93  C   GLN A   7       2.287  -2.080  -0.297  1.00  0.00           C
ATOM     94  O   GLN A   7       3.242  -2.362  -1.014  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.344  -2.889   1.823  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.824  -1.502   2.240  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.142  -1.490   2.976  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.851  -0.393   2.855  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.506  -2.441   3.658  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.320  -4.879   0.641  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.277  -2.350   1.574  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.179  -3.494   2.715  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.127  -3.380   1.246  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.914  -0.880   1.350  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.064  -1.044   2.874  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       4.922  -3.275   3.723  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.393  -2.399   4.160  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.400  -1.134  -0.598  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.591  -0.239  -1.744  1.00  0.00           C
ATOM    110  C   CYS A   8       2.723   0.696  -1.451  1.00  0.00           C
ATOM    111  O   CYS A   8       3.384   1.202  -2.339  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.335   0.560  -2.052  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.465   1.306  -0.600  1.00  0.00           S
ATOM      0  H   CYS A   8       0.545  -0.965  -0.069  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.817  -0.849  -2.619  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.588   1.352  -2.757  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.382  -0.093  -2.550  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.929   0.943  -0.185  1.00  0.00           N
ATOM    119  CA  GLY A   9       4.049   1.682   0.191  1.00  0.00           C
ATOM    120  C   GLY A   9       3.774   3.052   0.663  1.00  0.00           C
ATOM    121  O   GLY A   9       3.036   3.822   0.044  1.00  0.00           O
ATOM      0  H   GLY A   9       2.328   0.636   0.579  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.571   1.142   0.981  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.728   1.738  -0.660  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.326   3.334   1.788  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.337   4.636   2.321  1.00  0.00           C
ATOM    127  C   GLY A  10       5.664   5.234   1.943  1.00  0.00           C
ATOM    128  O   GLY A  10       6.291   4.772   0.974  1.00  0.00           O
ATOM      0  H   GLY A  10       4.793   2.642   2.374  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.515   5.228   1.919  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.214   4.614   3.404  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.103   6.204   2.675  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.397   6.819   2.441  1.00  0.00           C
ATOM    134  C   ILE A  11       8.514   5.753   2.573  1.00  0.00           C
ATOM    135  O   ILE A  11       8.572   5.010   3.564  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.632   7.966   3.457  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.482   8.978   3.373  1.00  0.00           C
ATOM    138  CG2 ILE A  11       8.965   8.655   3.193  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.529  10.059   4.424  1.00  0.00           C
ATOM      0  H   ILE A  11       5.585   6.604   3.457  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.418   7.234   1.433  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.662   7.543   4.461  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.495   9.444   2.388  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.536   8.444   3.460  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.110   9.457   3.917  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.774   7.930   3.287  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       8.966   9.071   2.186  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.681  10.731   4.293  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.483   9.606   5.414  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.457  10.622   4.325  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.332   5.628   1.549  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.426   4.680   1.591  1.00  0.00           C
ATOM    153  C   GLY A  12      10.195   3.493   0.682  1.00  0.00           C
ATOM    154  O   GLY A  12      11.033   2.591   0.585  1.00  0.00           O
ATOM      0  H   GLY A  12       9.262   6.165   0.685  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.349   5.182   1.302  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.561   4.330   2.614  1.00  0.00           H   new
ATOM    158  N   TYR A  13       9.066   3.482   0.026  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.717   2.409  -0.869  1.00  0.00           C
ATOM    160  C   TYR A  13       8.675   2.968  -2.290  1.00  0.00           C
ATOM    161  O   TYR A  13       7.911   3.894  -2.579  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.355   1.846  -0.457  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.938   0.539  -1.119  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.496   0.503  -2.431  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.951  -0.652  -0.404  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.089  -0.676  -3.011  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.547  -1.838  -0.984  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.117  -1.842  -2.290  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.704  -3.022  -2.879  1.00  0.00           O
ATOM      0  H   TYR A  13       8.361   4.216   0.096  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.449   1.603  -0.826  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.359   1.697   0.623  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.595   2.597  -0.673  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       6.470   1.415  -3.008  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       7.283  -0.650   0.624  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       5.747  -0.683  -4.035  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       6.569  -2.756  -0.416  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.797  -3.238  -2.577  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.498   2.430  -3.151  1.00  0.00           N
ATOM    180  CA  SER A  14       9.598   2.910  -4.513  1.00  0.00           C
ATOM    181  C   SER A  14       9.157   1.849  -5.536  1.00  0.00           C
ATOM    182  O   SER A  14       9.330   2.030  -6.747  1.00  0.00           O
ATOM    183  CB  SER A  14      11.039   3.351  -4.762  1.00  0.00           C
ATOM    184  OG  SER A  14      11.944   2.329  -4.347  1.00  0.00           O
ATOM      0  H   SER A  14      10.118   1.649  -2.934  1.00  0.00           H   new
ATOM      0  HA  SER A  14       8.921   3.754  -4.643  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      11.183   3.567  -5.821  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      11.245   4.273  -4.217  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.865   2.621  -4.512  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.583   0.767  -5.052  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.129  -0.297  -5.933  1.00  0.00           C
ATOM    192  C   GLY A  15       6.688  -0.083  -6.384  1.00  0.00           C
ATOM    193  O   GLY A  15       6.305   1.058  -6.669  1.00  0.00           O
ATOM      0  H   GLY A  15       8.419   0.598  -4.059  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.779  -0.348  -6.806  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.210  -1.254  -5.418  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.865  -1.153  -6.453  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.451  -1.057  -6.836  1.00  0.00           C
ATOM    199  C   PRO A  16       3.649  -0.207  -5.858  1.00  0.00           C
ATOM    200  O   PRO A  16       3.207  -0.685  -4.818  1.00  0.00           O
ATOM    201  CB  PRO A  16       3.956  -2.507  -6.784  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.182  -3.329  -6.873  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.248  -2.543  -6.176  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.332  -0.585  -7.811  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.412  -2.706  -5.860  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.275  -2.722  -7.607  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.038  -4.300  -6.399  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.452  -3.519  -7.912  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.269  -2.751  -5.106  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.240  -2.774  -6.565  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.507   1.049  -6.175  1.00  0.00           N
ATOM    212  CA  THR A  17       2.796   1.960  -5.327  1.00  0.00           C
ATOM    213  C   THR A  17       1.325   2.056  -5.723  1.00  0.00           C
ATOM    214  O   THR A  17       0.508   2.677  -5.030  1.00  0.00           O
ATOM    215  CB  THR A  17       3.481   3.345  -5.318  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.870   3.702  -6.657  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.711   3.346  -4.422  1.00  0.00           C
ATOM      0  H   THR A  17       3.880   1.468  -7.027  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.825   1.570  -4.309  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.768   4.072  -4.928  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.303   4.581  -6.649  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.171   4.334  -4.437  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.418   3.097  -3.402  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.426   2.608  -4.785  1.00  0.00           H   new
ATOM    225  N   VAL A  18       0.984   1.436  -6.833  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.379   1.403  -7.291  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.966   0.048  -6.919  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.306  -0.993  -7.076  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.481   1.629  -8.830  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.936   1.658  -9.291  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.225   2.916  -9.236  1.00  0.00           C
ATOM      0  H   VAL A  18       1.643   0.945  -7.437  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.935   2.211  -6.816  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.014   0.790  -9.319  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.973   1.817 -10.369  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.414   0.709  -9.048  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.462   2.469  -8.786  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.141   3.053 -10.314  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.237   3.761  -8.726  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.278   2.857  -8.959  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -2.153   0.049  -6.410  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.784  -1.169  -5.986  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.597  -1.798  -7.103  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.915  -1.136  -8.109  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.642  -0.896  -4.773  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.700  -0.281  -3.356  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.717   0.888  -6.274  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -2.008  -1.887  -5.719  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.409  -0.167  -5.035  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.158  -1.813  -4.488  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.901  -3.081  -6.943  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.684  -3.836  -7.905  1.00  0.00           C
ATOM    253  C   ALA A  20      -6.114  -3.292  -8.021  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.589  -2.535  -7.147  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.701  -5.311  -7.530  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.607  -3.628  -6.134  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.211  -3.725  -8.881  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.292  -5.865  -8.260  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.681  -5.696  -7.521  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.142  -5.430  -6.540  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.787  -3.699  -9.071  1.00  0.00           N
ATOM    262  CA  SER A  21      -8.122  -3.261  -9.403  1.00  0.00           C
ATOM    263  C   SER A  21      -9.120  -3.462  -8.247  1.00  0.00           C
ATOM    264  O   SER A  21      -9.432  -4.599  -7.851  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.568  -4.013 -10.643  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.579  -3.888 -11.663  1.00  0.00           O
ATOM      0  H   SER A  21      -6.407  -4.368  -9.741  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -8.102  -2.188  -9.591  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.727  -5.065 -10.405  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.521  -3.618 -10.996  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.869  -4.376 -12.462  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.570  -2.357  -7.686  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.542  -2.407  -6.626  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.942  -2.195  -5.257  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.665  -1.969  -4.283  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.275  -1.417  -7.950  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.303  -1.647  -6.804  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -11.045  -3.373  -6.649  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.640  -2.267  -5.156  1.00  0.00           N
ATOM    280  CA  THR A  23      -7.997  -2.082  -3.876  1.00  0.00           C
ATOM    281  C   THR A  23      -7.447  -0.673  -3.774  1.00  0.00           C
ATOM    282  O   THR A  23      -6.957  -0.124  -4.765  1.00  0.00           O
ATOM    283  CB  THR A  23      -6.885  -3.134  -3.622  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.861  -3.046  -4.610  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.466  -4.529  -3.657  1.00  0.00           C
ATOM      0  H   THR A  23      -8.007  -2.450  -5.935  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.748  -2.228  -3.100  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.458  -2.930  -2.640  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.268  -3.002  -5.500  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.675  -5.257  -3.477  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.229  -4.625  -2.885  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.913  -4.713  -4.634  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.558  -0.084  -2.624  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.117   1.268  -2.427  1.00  0.00           C
ATOM    295  C   THR A  24      -5.832   1.318  -1.628  1.00  0.00           C
ATOM    296  O   THR A  24      -5.680   0.581  -0.654  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.210   2.098  -1.723  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.687   1.419  -0.529  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.366   2.347  -2.663  1.00  0.00           C
ATOM      0  H   THR A  24      -7.956  -0.524  -1.794  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -6.923   1.698  -3.410  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.773   3.053  -1.430  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.026   0.532  -0.771  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.130   2.934  -2.153  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.013   2.893  -3.538  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.791   1.394  -2.978  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -4.905   2.151  -2.045  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.685   2.317  -1.302  1.00  0.00           C
ATOM    309  C   CYS A  25      -3.952   3.250  -0.162  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.123   4.463  -0.353  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.546   2.868  -2.172  1.00  0.00           C
ATOM    312  SG  CYS A  25      -0.986   3.156  -1.254  1.00  0.00           S
ATOM      0  H   CYS A  25      -4.975   2.719  -2.889  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.364   1.341  -0.939  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.354   2.170  -2.987  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -2.868   3.806  -2.625  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.019   2.706   1.000  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.290   3.470   2.157  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.048   3.589   2.986  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.499   2.583   3.455  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.428   2.849   2.951  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.751   2.828   2.201  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.871   2.186   2.987  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -7.898   2.232   4.231  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.805   1.595   2.286  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.886   1.710   1.173  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.604   4.471   1.862  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.157   1.829   3.222  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.556   3.402   3.881  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.033   3.850   1.947  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.620   2.290   1.262  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.746   1.580   1.268  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.592   1.150   2.758  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.573   4.797   3.111  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.418   5.085   3.912  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.868   5.076   5.374  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.441   6.052   5.885  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.780   6.458   3.516  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.494   6.723   4.270  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.542   6.540   2.012  1.00  0.00           C
ATOM      0  H   VAL A  27      -2.980   5.614   2.656  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.644   4.334   3.750  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.494   7.234   3.794  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.904   7.686   3.965  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.287   6.739   5.340  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.216   5.936   4.052  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.098   7.505   1.766  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.134   5.741   1.706  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.491   6.433   1.487  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.671   3.944   6.011  1.00  0.00           N
ATOM    351  CA  LEU A  28      -2.157   3.705   7.361  1.00  0.00           C
ATOM    352  C   LEU A  28      -1.253   4.403   8.339  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.692   4.987   9.333  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.164   2.195   7.661  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.832   1.280   6.621  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.821  -0.158   7.091  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.249   1.720   6.321  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.166   3.154   5.608  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -3.173   4.090   7.451  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.131   1.869   7.785  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.664   2.042   8.618  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.254   1.356   5.700  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.298  -0.789   6.341  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.792  -0.485   7.239  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.365  -0.237   8.032  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.689   1.050   5.582  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.841   1.690   7.236  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.239   2.737   5.929  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.000   4.342   8.031  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.057   4.951   8.783  1.00  0.00           C
ATOM    371  C   ASN A  29       1.881   5.623   7.724  1.00  0.00           C
ATOM    372  O   ASN A  29       1.738   5.237   6.575  1.00  0.00           O
ATOM    373  CB  ASN A  29       1.905   3.878   9.486  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.133   2.934  10.380  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.718   1.823   9.832  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       0.924   3.194  11.555  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.336   3.842   7.208  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       0.694   5.627   9.557  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.424   3.292   8.727  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       2.670   4.375  10.083  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.262   4.071  11.951  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       0.411   2.534  12.140  1.00  0.00           H   new
ATOM    383  N   PRO A  30       2.784   6.570   8.031  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.479   7.328   6.982  1.00  0.00           C
ATOM    385  C   PRO A  30       4.323   6.444   6.070  1.00  0.00           C
ATOM    386  O   PRO A  30       4.513   6.753   4.889  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.393   8.289   7.732  1.00  0.00           C
ATOM    388  CG  PRO A  30       3.935   8.271   9.158  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.234   6.959   9.380  1.00  0.00           C
ATOM      0  HA  PRO A  30       2.755   7.823   6.335  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.435   7.977   7.653  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.328   9.294   7.315  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.782   8.375   9.836  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.263   9.106   9.357  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       3.905   6.214   9.809  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.394   7.065  10.067  1.00  0.00           H   new
ATOM    397  N   TYR A  31       4.815   5.344   6.605  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.675   4.481   5.843  1.00  0.00           C
ATOM    399  C   TYR A  31       4.949   3.188   5.460  1.00  0.00           C
ATOM    400  O   TYR A  31       5.311   2.519   4.477  1.00  0.00           O
ATOM    401  CB  TYR A  31       6.944   4.173   6.645  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.648   5.413   7.177  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.318   5.950   8.419  1.00  0.00           C
ATOM    404  CD2 TYR A  31       8.633   6.039   6.446  1.00  0.00           C
ATOM    405  CE1 TYR A  31       7.957   7.070   8.903  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.275   7.158   6.922  1.00  0.00           C
ATOM    407  CZ  TYR A  31       8.934   7.669   8.148  1.00  0.00           C
ATOM    408  OH  TYR A  31       9.576   8.782   8.626  1.00  0.00           O
ATOM      0  H   TYR A  31       4.631   5.034   7.559  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       5.955   4.991   4.921  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.685   3.525   7.483  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.636   3.616   6.013  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.548   5.480   9.013  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       8.907   5.643   5.479  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       7.691   7.474   9.869  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.045   7.633   6.332  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.240   9.083   7.971  1.00  0.00           H   new
ATOM    418  N   TYR A  32       3.932   2.829   6.214  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.173   1.641   5.901  1.00  0.00           C
ATOM    420  C   TYR A  32       1.848   1.996   5.250  1.00  0.00           C
ATOM    421  O   TYR A  32       0.945   2.551   5.896  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.930   0.782   7.142  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.281  -0.563   6.843  1.00  0.00           C
ATOM    424  CD1 TYR A  32       3.034  -1.609   6.323  1.00  0.00           C
ATOM    425  CD2 TYR A  32       0.926  -0.790   7.088  1.00  0.00           C
ATOM    426  CE1 TYR A  32       2.464  -2.842   6.059  1.00  0.00           C
ATOM    427  CE2 TYR A  32       0.353  -2.021   6.820  1.00  0.00           C
ATOM    428  CZ  TYR A  32       1.124  -3.040   6.309  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.552  -4.277   6.063  1.00  0.00           O
ATOM      0  H   TYR A  32       3.615   3.338   7.039  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.768   1.060   5.196  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.881   0.611   7.646  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.296   1.334   7.836  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       4.084  -1.457   6.121  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       0.317   0.005   7.492  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32       3.066  -3.644   5.659  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32      -0.698  -2.182   7.012  1.00  0.00           H   new
ATOM      0  HH  TYR A  32      -0.400  -4.249   6.293  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.716   1.629   4.024  1.00  0.00           N
ATOM    440  CA  SER A  33       0.504   1.825   3.290  1.00  0.00           C
ATOM    441  C   SER A  33       0.101   0.484   2.757  1.00  0.00           C
ATOM    442  O   SER A  33       0.966  -0.294   2.352  1.00  0.00           O
ATOM    443  CB  SER A  33       0.743   2.795   2.156  1.00  0.00           C
ATOM    444  OG  SER A  33       1.330   3.976   2.638  1.00  0.00           O
ATOM      0  H   SER A  33       2.457   1.176   3.489  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.281   2.241   3.922  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.391   2.338   1.408  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.200   3.026   1.661  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.380   3.941   3.616  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.156   0.195   2.756  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.602  -1.104   2.366  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.738  -0.985   1.368  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.464   0.005   1.371  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.021  -1.876   3.620  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.320  -3.341   3.403  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.572  -4.065   4.699  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.065  -3.497   5.650  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.193  -5.308   4.759  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.898   0.842   3.022  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.798  -1.652   1.874  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.228  -1.790   4.363  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -2.906  -1.400   4.042  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.192  -3.441   2.757  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.483  -3.808   2.884  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -1.782  -5.756   3.940  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.307  -5.835   5.625  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.850  -1.957   0.499  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.897  -1.982  -0.489  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.113  -2.686   0.065  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.127  -3.915   0.201  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.416  -2.704  -1.743  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.956  -1.958  -2.507  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.216  -2.755   0.457  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.161  -0.956  -0.746  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.192  -3.740  -1.490  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.226  -2.722  -2.472  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.112  -1.935   0.386  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.327  -2.479   0.910  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.400  -2.375  -0.130  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.776  -1.248  -0.512  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.767  -1.828   2.244  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.822  -1.987   3.462  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.324  -3.413   3.625  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.682  -0.993   3.436  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.875  -3.410  -0.596  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.112  -0.919   0.293  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.145  -3.527   1.150  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -7.912  -0.762   2.067  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.739  -2.241   2.516  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.420  -1.760   4.344  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.666  -3.472   4.492  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.173  -4.081   3.768  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.775  -3.711   2.732  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.048  -1.144   4.309  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.093  -1.138   2.530  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.083   0.021   3.449  1.00  0.00           H   new
TER     497      LEU A  36