USER  MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=14
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  24 THR OG1 :   rot   -2:sc=    1.68
USER  MOD Set 1.2: A  26 GLN     :      amide:sc=   0.292  K(o=2,f=0.19)
USER  MOD Set 2.1: A   2 GLN     :      amide:sc=  -0.674  K(o=-0.41,f=-1.1)
USER  MOD Set 2.2: A  13 TYR OH  :   rot   84:sc=    0.26
USER  MOD Single : A   1 THR N   :NH3+   -130:sc=    0.27   (180deg=-0.0898)
USER  MOD Single : A   1 THR OG1 :   rot  180:sc=  0.0456
USER  MOD Single : A   3 SER OG  :   rot  180:sc=  0.0484
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -1.65  X(o=-1.6,f=-1.6!)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :      amide:sc=   -0.38  X(o=-0.38,f=-0.38)
USER  MOD Single : A  14 SER OG  :   rot  180:sc= 0.00579
USER  MOD Single : A  17 THR OG1 :   rot  180:sc= 0.00486
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -54:sc=  -0.377!
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=       0  F(o=-0.88,f=0)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  165:sc=  -0.697
USER  MOD Single : A  34 GLN     :      amide:sc=   0.672  K(o=0.67,f=-0.95)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   THR A   1       1.811  -4.658  -9.791  1.00  0.00           N
ATOM      2  CA  THR A   1       1.137  -3.801  -8.848  1.00  0.00           C
ATOM      3  C   THR A   1       1.067  -4.510  -7.520  1.00  0.00           C
ATOM      4  O   THR A   1       1.432  -5.695  -7.440  1.00  0.00           O
ATOM      5  CB  THR A   1      -0.274  -3.486  -9.357  1.00  0.00           C
ATOM      6  OG1 THR A   1      -0.931  -4.705  -9.776  1.00  0.00           O
ATOM      7  CG2 THR A   1      -0.225  -2.502 -10.513  1.00  0.00           C
ATOM      0  H1  THR A   1       2.564  -4.123 -10.269  1.00  0.00           H   new
ATOM      0  H2  THR A   1       2.227  -5.468  -9.288  1.00  0.00           H   new
ATOM      0  H3  THR A   1       1.129  -5.002 -10.497  1.00  0.00           H   new
ATOM      0  HA  THR A   1       1.682  -2.864  -8.733  1.00  0.00           H   new
ATOM      0  HB  THR A   1      -0.839  -3.032  -8.543  1.00  0.00           H   new
ATOM      0  HG1 THR A   1      -1.833  -4.496 -10.098  1.00  0.00           H   new
ATOM      0 HG21 THR A   1      -1.238  -2.294 -10.857  1.00  0.00           H   new
ATOM      0 HG22 THR A   1       0.243  -1.575 -10.182  1.00  0.00           H   new
ATOM      0 HG23 THR A   1       0.355  -2.930 -11.331  1.00  0.00           H   new
ATOM     17  N   GLN A   2       0.638  -3.832  -6.480  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.562  -4.462  -5.198  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.812  -5.085  -5.024  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.830  -4.424  -5.248  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.844  -3.476  -4.078  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.179  -4.191  -2.795  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.462  -5.001  -2.933  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.386  -4.623  -3.651  1.00  0.00           O
ATOM     25  NE2 GLN A   2       2.500  -6.149  -2.333  1.00  0.00           N
ATOM      0  H   GLN A   2       0.341  -2.856  -6.503  1.00  0.00           H   new
ATOM      0  HA  GLN A   2       1.324  -5.240  -5.148  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.672  -2.826  -4.362  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.026  -2.837  -3.925  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.289  -3.465  -1.989  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.357  -4.851  -2.519  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       1.722  -6.442  -1.742  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.308  -6.760  -2.452  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.841  -6.348  -4.668  1.00  0.00           N
ATOM     35  CA  SER A   3      -2.083  -7.060  -4.493  1.00  0.00           C
ATOM     36  C   SER A   3      -2.793  -6.619  -3.199  1.00  0.00           C
ATOM     37  O   SER A   3      -2.269  -5.804  -2.402  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.834  -8.586  -4.512  1.00  0.00           C
ATOM     39  OG  SER A   3      -3.048  -9.337  -4.534  1.00  0.00           O
ATOM      0  H   SER A   3      -0.007  -6.908  -4.492  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.744  -6.816  -5.325  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -1.236  -8.843  -5.386  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.252  -8.867  -3.634  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -2.840 -10.295  -4.547  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.958  -7.173  -2.993  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.814  -6.833  -1.881  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.120  -7.220  -0.567  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.559  -8.302  -0.457  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.155  -7.568  -2.036  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.296  -7.028  -1.213  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.544  -7.600  -1.199  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.396  -5.918  -0.464  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.358  -6.859  -0.483  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.683  -5.823  -0.025  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.349  -7.889  -3.605  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -5.005  -5.760  -1.864  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.444  -7.540  -3.087  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -6.006  -8.616  -1.774  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.598  -5.223  -0.248  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.403  -7.063  -0.300  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -9.060  -5.077   0.559  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.112  -6.288   0.380  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.509  -6.446   1.710  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.986  -6.349   1.700  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.338  -6.606   2.716  1.00  0.00           O
ATOM     67  CB  TYR A   5      -4.000  -7.696   2.476  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.439  -7.612   2.950  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -5.756  -6.982   4.150  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.474  -8.168   2.215  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.058  -6.910   4.599  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.781  -8.095   2.654  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.066  -7.466   3.848  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.370  -7.396   4.295  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.537  -5.371   0.244  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.873  -5.586   2.272  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.892  -8.568   1.831  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.354  -7.856   3.339  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -4.967  -6.541   4.741  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -6.254  -8.667   1.283  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -7.284  -6.420   5.535  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -8.576  -8.528   2.065  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.961  -7.835   3.649  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.425  -5.948   0.584  1.00  0.00           N
ATOM     85  CA  GLY A   6       0.001  -5.727   0.520  1.00  0.00           C
ATOM     86  C   GLY A   6       0.317  -4.260   0.734  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.602  -3.422   0.721  1.00  0.00           O
ATOM      0  H   GLY A   6      -1.928  -5.769  -0.285  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.503  -6.328   1.278  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.383  -6.051  -0.448  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.582  -3.943   0.945  1.00  0.00           N
ATOM     92  CA  GLN A   7       2.010  -2.573   1.127  1.00  0.00           C
ATOM     93  C   GLN A   7       2.169  -1.889  -0.213  1.00  0.00           C
ATOM     94  O   GLN A   7       3.038  -2.249  -0.999  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.324  -2.478   1.929  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.825  -1.040   2.106  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.117  -0.924   2.894  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.408  -1.730   3.766  1.00  0.00           O
ATOM     99  NE2 GLN A   7       5.888   0.084   2.590  1.00  0.00           N
ATOM      0  H   GLN A   7       2.337  -4.627   0.994  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.236  -2.066   1.703  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.175  -2.927   2.911  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.093  -3.063   1.424  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.971  -0.594   1.122  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.053  -0.457   2.608  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       5.610   0.735   1.856  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.768   0.221   3.087  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.319  -0.929  -0.471  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.371  -0.158  -1.702  1.00  0.00           C
ATOM    110  C   CYS A   8       2.522   0.790  -1.713  1.00  0.00           C
ATOM    111  O   CYS A   8       3.362   0.741  -2.579  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.095   0.620  -1.905  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.628   1.287  -0.381  1.00  0.00           S
ATOM      0  H   CYS A   8       0.568  -0.654   0.162  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.498  -0.874  -2.514  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.292   1.445  -2.590  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.638  -0.027  -2.387  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.573   1.655  -0.756  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.596   2.605  -0.781  1.00  0.00           C
ATOM    120  C   GLY A   9       3.446   3.649   0.240  1.00  0.00           C
ATOM    121  O   GLY A   9       2.522   4.459   0.198  1.00  0.00           O
ATOM      0  H   GLY A   9       1.926   1.713   0.031  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.552   2.102  -0.638  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       3.625   3.071  -1.766  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.297   3.586   1.188  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.406   4.605   2.149  1.00  0.00           C
ATOM    127  C   GLY A  10       5.726   5.307   1.867  1.00  0.00           C
ATOM    128  O   GLY A  10       6.238   5.224   0.727  1.00  0.00           O
ATOM      0  H   GLY A  10       4.948   2.811   1.319  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.570   5.301   2.076  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.391   4.193   3.158  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.276   5.968   2.838  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.589   6.583   2.703  1.00  0.00           C
ATOM    134  C   ILE A  11       8.652   5.493   2.531  1.00  0.00           C
ATOM    135  O   ILE A  11       8.711   4.547   3.321  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.954   7.435   3.953  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.941   8.558   4.175  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.368   8.008   3.831  1.00  0.00           C
ATOM    139  CD1 ILE A  11       7.196   9.353   5.434  1.00  0.00           C
ATOM      0  H   ILE A  11       5.840   6.104   3.750  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.559   7.236   1.830  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.923   6.775   4.820  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.962   9.231   3.318  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.939   8.131   4.220  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.599   8.599   4.717  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11      10.085   7.192   3.743  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.429   8.642   2.946  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       6.441  10.133   5.531  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       7.146   8.691   6.299  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       8.185   9.809   5.382  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.436   5.599   1.483  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.524   4.673   1.270  1.00  0.00           C
ATOM    153  C   GLY A  12      10.189   3.594   0.274  1.00  0.00           C
ATOM    154  O   GLY A  12      11.075   2.885  -0.206  1.00  0.00           O
ATOM      0  H   GLY A  12       9.341   6.317   0.765  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.399   5.222   0.922  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.794   4.212   2.220  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.931   3.465  -0.055  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.520   2.439  -0.980  1.00  0.00           C
ATOM    160  C   TYR A  13       8.571   3.023  -2.387  1.00  0.00           C
ATOM    161  O   TYR A  13       7.784   3.907  -2.724  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.108   1.960  -0.639  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.703   0.655  -1.306  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.575  -0.508  -0.564  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.458   0.584  -2.663  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.212  -1.699  -1.156  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.096  -0.600  -3.260  1.00  0.00           C
ATOM    168  CZ  TYR A  13       5.970  -1.734  -2.506  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.623  -2.919  -3.112  1.00  0.00           O
ATOM      0  H   TYR A  13       8.177   4.052   0.300  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.186   1.578  -0.916  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.031   1.840   0.442  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.397   2.735  -0.925  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       6.763  -0.481   0.499  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.553   1.475  -3.266  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.119  -2.596  -0.562  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.911  -0.635  -4.324  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.660  -3.068  -3.011  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.484   2.540  -3.186  1.00  0.00           N
ATOM    180  CA  SER A  14       9.701   3.078  -4.514  1.00  0.00           C
ATOM    181  C   SER A  14       9.254   2.111  -5.621  1.00  0.00           C
ATOM    182  O   SER A  14       9.497   2.353  -6.811  1.00  0.00           O
ATOM    183  CB  SER A  14      11.185   3.400  -4.646  1.00  0.00           C
ATOM    184  OG  SER A  14      11.976   2.276  -4.235  1.00  0.00           O
ATOM      0  H   SER A  14      10.100   1.765  -2.941  1.00  0.00           H   new
ATOM      0  HA  SER A  14       9.095   3.976  -4.638  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      11.418   3.659  -5.679  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      11.431   4.269  -4.036  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.927   2.494  -4.326  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.626   1.025  -5.238  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.205   0.035  -6.201  1.00  0.00           C
ATOM    192  C   GLY A  15       6.754   0.190  -6.609  1.00  0.00           C
ATOM    193  O   GLY A  15       6.299   1.317  -6.862  1.00  0.00           O
ATOM      0  H   GLY A  15       8.396   0.804  -4.269  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.836   0.106  -7.087  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.355  -0.960  -5.781  1.00  0.00           H   new
ATOM    197  N   PRO A  16       6.004  -0.930  -6.704  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.584  -0.929  -7.067  1.00  0.00           C
ATOM    199  C   PRO A  16       3.713  -0.217  -6.050  1.00  0.00           C
ATOM    200  O   PRO A  16       3.215  -0.829  -5.112  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.199  -2.413  -7.117  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.481  -3.137  -7.209  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.492  -2.300  -6.491  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.432  -0.400  -8.007  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.643  -2.707  -6.227  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.562  -2.627  -7.976  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.402  -4.125  -6.755  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.769  -3.286  -8.250  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.542  -2.550  -5.431  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.493  -2.439  -6.899  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.557   1.069  -6.220  1.00  0.00           N
ATOM    212  CA  THR A  17       2.739   1.839  -5.339  1.00  0.00           C
ATOM    213  C   THR A  17       1.280   1.762  -5.763  1.00  0.00           C
ATOM    214  O   THR A  17       0.364   2.069  -4.997  1.00  0.00           O
ATOM    215  CB  THR A  17       3.240   3.293  -5.262  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.424   3.823  -6.596  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.559   3.362  -4.510  1.00  0.00           C
ATOM      0  H   THR A  17       3.993   1.604  -6.971  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.811   1.419  -4.336  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.495   3.886  -4.731  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       3.741   4.749  -6.539  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       4.899   4.397  -4.465  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.421   2.981  -3.498  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.305   2.758  -5.027  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.074   1.319  -6.982  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.243   1.152  -7.526  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.802  -0.186  -7.054  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.133  -1.226  -7.175  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.213   1.178  -9.071  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.613   1.053  -9.647  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.458   2.449  -9.577  1.00  0.00           C
ATOM      0  H   VAL A  18       1.825   1.064  -7.624  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.873   1.973  -7.183  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.371   0.321  -9.407  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.562   1.074 -10.736  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.057   0.112  -9.323  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.226   1.883  -9.296  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.468   2.446 -10.667  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.095   3.319  -9.222  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.482   2.493  -9.205  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.990  -0.164  -6.533  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.618  -1.353  -6.027  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.385  -2.073  -7.126  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.551  -1.547  -8.243  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.551  -1.011  -4.873  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.735  -0.251  -3.444  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.556   0.680  -6.445  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.836  -2.019  -5.662  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.324  -0.334  -5.236  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.053  -1.922  -4.546  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.804  -3.284  -6.823  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.609  -4.101  -7.706  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.925  -3.402  -8.038  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.407  -2.552  -7.266  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.889  -5.437  -7.042  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.589  -3.738  -5.935  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.061  -4.260  -8.634  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.495  -6.053  -7.706  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.947  -5.945  -6.835  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.426  -5.273  -6.108  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.495  -3.749  -9.161  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.731  -3.159  -9.609  1.00  0.00           C
ATOM    263  C   SER A  21      -8.870  -3.512  -8.641  1.00  0.00           C
ATOM    264  O   SER A  21      -9.286  -4.678  -8.543  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.039  -3.673 -11.007  1.00  0.00           C
ATOM    266  OG  SER A  21      -6.913  -3.496 -11.865  1.00  0.00           O
ATOM      0  H   SER A  21      -6.114  -4.452  -9.795  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.635  -2.074  -9.633  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.306  -4.729 -10.962  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -8.900  -3.143 -11.414  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.127  -3.833 -12.760  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.357  -2.522  -7.937  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.397  -2.733  -6.975  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.904  -2.554  -5.558  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.626  -2.842  -4.606  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.043  -1.555  -8.017  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.213  -2.036  -7.165  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.802  -3.738  -7.094  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.671  -2.113  -5.402  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.131  -1.865  -4.080  1.00  0.00           C
ATOM    281  C   THR A  23      -7.610  -0.439  -3.979  1.00  0.00           C
ATOM    282  O   THR A  23      -7.228   0.167  -4.996  1.00  0.00           O
ATOM    283  CB  THR A  23      -7.019  -2.884  -3.687  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.966  -2.884  -4.646  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.575  -4.286  -3.578  1.00  0.00           C
ATOM      0  H   THR A  23      -8.028  -1.920  -6.170  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.948  -1.999  -3.371  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.631  -2.573  -2.717  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.337  -3.038  -5.540  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.776  -4.974  -3.303  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.354  -4.310  -2.816  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.997  -4.586  -4.537  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.624   0.095  -2.796  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.183   1.440  -2.545  1.00  0.00           C
ATOM    295  C   THR A  24      -5.951   1.449  -1.654  1.00  0.00           C
ATOM    296  O   THR A  24      -5.859   0.659  -0.712  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.312   2.263  -1.881  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.884   1.533  -0.763  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.402   2.596  -2.881  1.00  0.00           C
ATOM      0  H   THR A  24      -7.947  -0.396  -1.962  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -6.925   1.893  -3.502  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.875   3.193  -1.517  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -8.451   0.657  -0.689  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.183   3.175  -2.388  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -8.979   3.179  -3.699  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.828   1.674  -3.275  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.012   2.312  -1.947  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.833   2.433  -1.124  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.138   3.344   0.037  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.370   4.547  -0.141  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.626   2.965  -1.911  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.117   3.178  -0.897  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.040   2.942  -2.749  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.565   1.439  -0.766  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.408   2.280  -2.730  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -2.890   3.923  -2.358  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.202   2.775   1.198  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.489   3.515   2.385  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.247   3.568   3.251  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.750   2.532   3.720  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.673   2.880   3.116  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.934   2.845   2.256  1.00  0.00           C
ATOM    323  CD  GLN A  26      -8.110   2.144   2.894  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.274   2.124   4.122  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.950   1.567   2.071  1.00  0.00           N
ATOM      0  H   GLN A  26      -4.056   1.777   1.350  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.770   4.538   2.136  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.411   1.865   3.414  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.875   3.439   4.030  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.224   3.868   2.017  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.701   2.351   1.313  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.784   1.603   1.065  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.770   1.082   2.436  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.728   4.761   3.423  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.523   4.988   4.188  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.868   4.979   5.684  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.381   5.959   6.234  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.811   6.320   3.758  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.505   6.506   4.466  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.622   6.376   2.246  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.134   5.611   3.032  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.814   4.185   3.987  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.462   7.143   4.054  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.965   7.439   4.140  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.337   6.541   5.542  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.167   5.673   4.229  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.127   7.309   1.976  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27      -0.010   5.533   1.924  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.594   6.326   1.756  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.633   3.838   6.299  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.994   3.579   7.693  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.975   4.233   8.610  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.306   4.864   9.621  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.012   2.061   7.930  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.914   1.240   6.992  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.763  -0.238   7.262  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.364   1.644   7.142  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.179   3.046   5.844  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.980   3.993   7.905  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -0.992   1.687   7.839  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.328   1.878   8.957  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.600   1.445   5.969  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.410  -0.799   6.587  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.726  -0.533   7.100  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.044  -0.450   8.294  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.979   1.048   6.468  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.684   1.475   8.170  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.475   2.700   6.896  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.251   4.070   8.246  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.370   4.677   8.912  1.00  0.00           C
ATOM    371  C   ASN A  29       2.097   5.370   7.816  1.00  0.00           C
ATOM    372  O   ASN A  29       1.913   4.982   6.684  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.308   3.625   9.556  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.674   2.804  10.659  1.00  0.00           C
ATOM    375  OD1 ASN A  29       1.144   1.669  10.310  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.697   3.186  11.827  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.519   3.492   7.450  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.045   5.331   9.721  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.663   2.950   8.778  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.183   4.136   9.959  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       2.122   4.083  12.062  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       1.291   2.606  12.561  1.00  0.00           H   new
ATOM    383  N   PRO A  30       2.961   6.353   8.089  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.642   7.103   7.023  1.00  0.00           C
ATOM    385  C   PRO A  30       4.439   6.187   6.099  1.00  0.00           C
ATOM    386  O   PRO A  30       4.600   6.461   4.916  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.588   8.035   7.777  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.020   8.135   9.152  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.358   6.817   9.427  1.00  0.00           C
ATOM      0  HA  PRO A  30       2.932   7.626   6.382  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.602   7.635   7.797  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.641   9.014   7.300  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.803   8.338   9.883  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.302   8.953   9.218  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.040   6.117   9.910  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.497   6.929  10.086  1.00  0.00           H   new
ATOM    397  N   TYR A  31       4.914   5.079   6.642  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.710   4.156   5.868  1.00  0.00           C
ATOM    399  C   TYR A  31       4.896   2.926   5.486  1.00  0.00           C
ATOM    400  O   TYR A  31       5.161   2.304   4.469  1.00  0.00           O
ATOM    401  CB  TYR A  31       6.925   3.710   6.694  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.769   4.851   7.219  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.416   5.520   8.386  1.00  0.00           C
ATOM    404  CD2 TYR A  31       8.907   5.263   6.551  1.00  0.00           C
ATOM    405  CE1 TYR A  31       8.166   6.561   8.861  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.668   6.307   7.028  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.291   6.953   8.180  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.045   8.000   8.657  1.00  0.00           O
ATOM      0  H   TYR A  31       4.761   4.802   7.612  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.035   4.662   4.959  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.578   3.112   7.536  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.551   3.063   6.079  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.534   5.212   8.927  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       9.203   4.759   5.643  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       7.874   7.071   9.767  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.557   6.616   6.499  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.808   8.152   8.061  1.00  0.00           H   new
ATOM    418  N   TYR A  32       3.877   2.602   6.264  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.088   1.434   5.954  1.00  0.00           C
ATOM    420  C   TYR A  32       1.769   1.836   5.349  1.00  0.00           C
ATOM    421  O   TYR A  32       0.910   2.400   6.033  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.857   0.534   7.178  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.306  -0.838   6.809  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.938  -1.119   6.852  1.00  0.00           C
ATOM    425  CD2 TYR A  32       3.165  -1.851   6.405  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.459  -2.374   6.505  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.693  -3.099   6.056  1.00  0.00           C
ATOM    428  CZ  TYR A  32       1.343  -3.358   6.108  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.879  -4.617   5.773  1.00  0.00           O
ATOM      0  H   TYR A  32       3.586   3.119   7.093  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.658   0.851   5.230  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.798   0.410   7.714  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.164   1.027   7.860  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.245  -0.350   7.159  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       4.227  -1.657   6.363  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.600  -2.580   6.545  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       3.381  -3.870   5.743  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       1.634  -5.186   5.516  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.588   1.510   4.130  1.00  0.00           N
ATOM    440  CA  SER A  33       0.372   1.788   3.445  1.00  0.00           C
ATOM    441  C   SER A  33      -0.105   0.484   2.894  1.00  0.00           C
ATOM    442  O   SER A  33       0.695  -0.265   2.360  1.00  0.00           O
ATOM    443  CB  SER A  33       0.645   2.759   2.321  1.00  0.00           C
ATOM    444  OG  SER A  33       1.379   3.870   2.785  1.00  0.00           O
ATOM      0  H   SER A  33       2.288   1.033   3.562  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.375   2.232   4.104  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.199   2.257   1.528  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.297   3.095   1.888  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.753   4.357   2.021  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.349   0.195   3.017  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.826  -1.085   2.598  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.903  -0.928   1.536  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.625   0.073   1.518  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.336  -1.850   3.821  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.636  -3.315   3.580  1.00  0.00           C
ATOM    456  CD  GLN A  34      -3.086  -4.031   4.835  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.720  -3.443   5.717  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.739  -5.286   4.943  1.00  0.00           N
ATOM      0  H   GLN A  34      -2.058   0.819   3.402  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -1.015  -1.657   2.146  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.593  -1.773   4.615  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.242  -1.364   4.183  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.411  -3.403   2.818  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.745  -3.805   3.186  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.215  -5.737   4.193  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.992  -5.815   5.778  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.963  -1.870   0.633  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.971  -1.877  -0.398  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.198  -2.584   0.114  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.198  -3.812   0.276  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.465  -2.589  -1.656  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.999  -1.840  -2.410  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.314  -2.656   0.590  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.209  -0.845  -0.657  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.239  -3.625  -1.405  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.267  -2.608  -2.394  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.211  -1.838   0.399  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.443  -2.383   0.873  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.469  -2.220  -0.198  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.977  -3.239  -0.679  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.929  -1.765   2.204  1.00  0.00           C
ATOM    482  CG  LEU A  36      -7.048  -1.967   3.456  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.578  -3.408   3.613  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.902  -0.985   3.518  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.674  -1.080  -0.649  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.210  -0.822   0.309  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.278  -3.437   1.096  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.052  -0.693   2.050  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.917  -2.171   2.421  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.687  -1.755   4.313  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.963  -3.494   4.508  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.443  -4.065   3.702  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.992  -3.697   2.741  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.313  -1.169   4.417  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.270  -1.108   2.639  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.295   0.031   3.544  1.00  0.00           H   new
TER     497      LEU A  36