USER  MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8
USER  MOD reduce.3.24.130724 removed 430 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A   3 GLN     :      amide:sc=-0.00998  K(o=-0.01,f=-4!)
USER  MOD Single : A   5 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   7 LYS NZ  :NH3+   -148:sc=    2.07   (180deg=1.38)
USER  MOD Single : A  10 ASN     :      amide:sc=       0  X(o=0,f=-0.013)
USER  MOD Single : A  13 LYS NZ  :NH3+    154:sc= -0.0237   (180deg=-0.372)
USER  MOD Single : A  22 ASN     :      amide:sc=  -0.318  K(o=-0.32,f=-4.3!)
USER  MOD Single : A  29 HIS     :     no HD1:sc=  -0.215  K(o=-0.21,f=-0.84)
USER  MOD Single : A  31 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  34 GLN     :FLIP  amide:sc=   -1.21  F(o=-2.2!,f=-1.2)
USER  MOD Single : A  40 SER OG  :   rot   25:sc=  0.0796
USER  MOD Single : A  45 GLN     :      amide:sc=   0.346  K(o=0.35,f=-0.49)
USER  MOD Single : A  48 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  55 GLN     :      amide:sc=  -0.503  K(o=-0.5,f=-1)
USER  MOD Single : A  59 GLN     :FLIP  amide:sc= -0.0165  F(o=-0.84,f=-0.016)
USER  MOD Single : A  62 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  64 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  65 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     20  N   GLU A   2      -0.253  -1.804  -3.614  1.00 64.51           N
ATOM     21  CA  GLU A   2       0.983  -1.521  -4.314  1.00 64.32           C
ATOM     22  C   GLU A   2       0.696  -1.151  -5.763  1.00 10.42           C
ATOM     23  O   GLU A   2      -0.455  -1.198  -6.208  1.00 53.03           O
ATOM     24  CB  GLU A   2       1.932  -2.730  -4.252  1.00 52.44           C
ATOM     25  CG  GLU A   2       1.287  -4.058  -4.641  1.00 70.44           C
ATOM     26  CD  GLU A   2       0.736  -4.830  -3.450  1.00 32.24           C
ATOM     27  OE1 GLU A   2      -0.391  -4.531  -2.998  1.00 24.12           O
ATOM     28  OE2 GLU A   2       1.429  -5.747  -2.963  1.00  2.13           O
ATOM      0  HA  GLU A   2       1.469  -0.677  -3.825  1.00 64.32           H   new
ATOM      0  HB2 GLU A   2       2.780  -2.545  -4.911  1.00 52.44           H   new
ATOM      0  HB3 GLU A   2       2.327  -2.815  -3.240  1.00 52.44           H   new
ATOM      0  HG2 GLU A   2       0.479  -3.869  -5.348  1.00 70.44           H   new
ATOM      0  HG3 GLU A   2       2.023  -4.675  -5.156  1.00 70.44           H   new
ATOM     35  N   GLN A   3       1.737  -0.776  -6.487  1.00 52.21           N
ATOM     36  CA  GLN A   3       1.604  -0.411  -7.887  1.00 45.40           C
ATOM     37  C   GLN A   3       2.028  -1.566  -8.785  1.00 61.33           C
ATOM     38  O   GLN A   3       3.106  -2.140  -8.621  1.00 10.03           O
ATOM     39  CB  GLN A   3       2.413   0.857  -8.218  1.00 74.42           C
ATOM     40  CG  GLN A   3       3.896   0.797  -7.859  1.00 64.51           C
ATOM     41  CD  GLN A   3       4.161   0.949  -6.370  1.00 10.21           C
ATOM     42  OE1 GLN A   3       4.236  -0.036  -5.633  1.00 34.12           O
ATOM     43  NE2 GLN A   3       4.274   2.185  -5.910  1.00  1.41           N
ATOM      0  H   GLN A   3       2.689  -0.716  -6.126  1.00 52.21           H   new
ATOM      0  HA  GLN A   3       0.553  -0.192  -8.074  1.00 45.40           H   new
ATOM      0  HB2 GLN A   3       2.322   1.058  -9.286  1.00 74.42           H   new
ATOM      0  HB3 GLN A   3       1.963   1.702  -7.696  1.00 74.42           H   new
ATOM      0  HG2 GLN A   3       4.307  -0.154  -8.199  1.00 64.51           H   new
ATOM      0  HG3 GLN A   3       4.425   1.583  -8.397  1.00 64.51           H   new
ATOM      0 HE21 GLN A   3       4.206   2.976  -6.551  1.00  1.41           H   new
ATOM      0 HE22 GLN A   3       4.429   2.347  -4.915  1.00  1.41           H   new
ATOM     52  N   GLY A   4       1.167  -1.909  -9.725  1.00 23.21           N
ATOM     53  CA  GLY A   4       1.447  -3.001 -10.628  1.00 54.25           C
ATOM     54  C   GLY A   4       1.209  -2.612 -12.067  1.00 63.31           C
ATOM     55  O   GLY A   4       0.562  -1.599 -12.342  1.00 30.34           O
ATOM      0  H   GLY A   4       0.271  -1.446  -9.880  1.00 23.21           H   new
ATOM      0  HA2 GLY A   4       2.482  -3.319 -10.504  1.00 54.25           H   new
ATOM      0  HA3 GLY A   4       0.818  -3.854 -10.373  1.00 54.25           H   new
ATOM     59  N   THR A   5       1.721  -3.409 -12.985  1.00 34.14           N
ATOM     60  CA  THR A   5       1.579  -3.122 -14.400  1.00 12.11           C
ATOM     61  C   THR A   5       0.547  -4.051 -15.039  1.00 61.25           C
ATOM     62  O   THR A   5       0.669  -5.276 -14.955  1.00 72.41           O
ATOM     63  CB  THR A   5       2.933  -3.267 -15.119  1.00 23.34           C
ATOM     64  OG1 THR A   5       3.936  -2.527 -14.405  1.00 33.23           O
ATOM     65  CG2 THR A   5       2.850  -2.763 -16.554  1.00  1.35           C
ATOM      0  H   THR A   5       2.240  -4.262 -12.776  1.00 34.14           H   new
ATOM      0  HA  THR A   5       1.234  -2.093 -14.503  1.00 12.11           H   new
ATOM      0  HB  THR A   5       3.198  -4.324 -15.144  1.00 23.34           H   new
ATOM      0  HG1 THR A   5       4.798  -2.620 -14.861  1.00 33.23           H   new
ATOM      0 HG21 THR A   5       3.821  -2.878 -17.037  1.00  1.35           H   new
ATOM      0 HG22 THR A   5       2.103  -3.340 -17.099  1.00  1.35           H   new
ATOM      0 HG23 THR A   5       2.567  -1.710 -16.554  1.00  1.35           H   new
ATOM     73  N   VAL A   6      -0.478  -3.464 -15.652  1.00 13.52           N
ATOM     74  CA  VAL A   6      -1.540  -4.234 -16.290  1.00 34.14           C
ATOM     75  C   VAL A   6      -0.989  -5.037 -17.459  1.00 44.34           C
ATOM     76  O   VAL A   6      -0.539  -4.472 -18.453  1.00 43.03           O
ATOM     77  CB  VAL A   6      -2.682  -3.327 -16.799  1.00 31.30           C
ATOM     78  CG1 VAL A   6      -3.787  -4.154 -17.443  1.00 72.50           C
ATOM     79  CG2 VAL A   6      -3.244  -2.480 -15.669  1.00 24.20           C
ATOM      0  H   VAL A   6      -0.595  -2.453 -15.720  1.00 13.52           H   new
ATOM      0  HA  VAL A   6      -1.942  -4.907 -15.533  1.00 34.14           H   new
ATOM      0  HB  VAL A   6      -2.268  -2.660 -17.555  1.00 31.30           H   new
ATOM      0 HG11 VAL A   6      -4.579  -3.493 -17.793  1.00 72.50           H   new
ATOM      0 HG12 VAL A   6      -3.380  -4.711 -18.287  1.00 72.50           H   new
ATOM      0 HG13 VAL A   6      -4.194  -4.851 -16.710  1.00 72.50           H   new
ATOM      0 HG21 VAL A   6      -4.047  -1.850 -16.051  1.00 24.20           H   new
ATOM      0 HG22 VAL A   6      -3.635  -3.130 -14.886  1.00 24.20           H   new
ATOM      0 HG23 VAL A   6      -2.454  -1.852 -15.258  1.00 24.20           H   new
ATOM     89  N   LYS A   7      -1.026  -6.351 -17.324  1.00  3.32           N
ATOM     90  CA  LYS A   7      -0.513  -7.248 -18.346  1.00 13.15           C
ATOM     91  C   LYS A   7      -1.638  -7.703 -19.259  1.00 42.12           C
ATOM     92  O   LYS A   7      -1.553  -7.573 -20.478  1.00 75.20           O
ATOM     93  CB  LYS A   7       0.144  -8.458 -17.687  1.00 43.24           C
ATOM     94  CG  LYS A   7       1.366  -8.098 -16.868  1.00 32.00           C
ATOM     95  CD  LYS A   7       2.637  -8.166 -17.697  1.00 22.32           C
ATOM     96  CE  LYS A   7       3.058  -9.607 -17.939  1.00 74.45           C
ATOM     97  NZ  LYS A   7       3.258 -10.334 -16.658  1.00 22.41           N
ATOM      0  H   LYS A   7      -1.411  -6.825 -16.507  1.00  3.32           H   new
ATOM      0  HA  LYS A   7       0.229  -6.717 -18.943  1.00 13.15           H   new
ATOM      0  HB2 LYS A   7      -0.584  -8.954 -17.044  1.00 43.24           H   new
ATOM      0  HB3 LYS A   7       0.429  -9.174 -18.458  1.00 43.24           H   new
ATOM      0  HG2 LYS A   7       1.249  -7.093 -16.462  1.00 32.00           H   new
ATOM      0  HG3 LYS A   7       1.448  -8.777 -16.019  1.00 32.00           H   new
ATOM      0  HD2 LYS A   7       2.479  -7.665 -18.652  1.00 22.32           H   new
ATOM      0  HD3 LYS A   7       3.437  -7.631 -17.185  1.00 22.32           H   new
ATOM      0  HE2 LYS A   7       2.298 -10.115 -18.533  1.00 74.45           H   new
ATOM      0  HE3 LYS A   7       3.981  -9.626 -18.518  1.00 74.45           H   new
ATOM      0  HZ1 LYS A   7       4.007 -11.046 -16.776  1.00 22.41           H   new
ATOM      0  HZ2 LYS A   7       3.535  -9.660 -15.916  1.00 22.41           H   new
ATOM      0  HZ3 LYS A   7       2.372 -10.806 -16.385  1.00 22.41           H   new
ATOM    111  N   TRP A   8      -2.692  -8.230 -18.653  1.00 74.32           N
ATOM    112  CA  TRP A   8      -3.846  -8.705 -19.398  1.00 32.42           C
ATOM    113  C   TRP A   8      -5.082  -7.912 -19.007  1.00 62.31           C
ATOM    114  O   TRP A   8      -5.376  -7.746 -17.822  1.00  4.32           O
ATOM    115  CB  TRP A   8      -4.085 -10.198 -19.139  1.00 42.33           C
ATOM    116  CG  TRP A   8      -2.924 -11.071 -19.515  1.00 63.22           C
ATOM    117  CD1 TRP A   8      -1.833 -11.363 -18.748  1.00 31.12           C
ATOM    118  CD2 TRP A   8      -2.745 -11.774 -20.749  1.00 72.52           C
ATOM    119  NE1 TRP A   8      -0.983 -12.194 -19.434  1.00 40.14           N
ATOM    120  CE2 TRP A   8      -1.521 -12.463 -20.663  1.00 71.01           C
ATOM    121  CE3 TRP A   8      -3.503 -11.887 -21.920  1.00 52.53           C
ATOM    122  CZ2 TRP A   8      -1.040 -13.256 -21.701  1.00  3.24           C
ATOM    123  CZ3 TRP A   8      -3.022 -12.671 -22.950  1.00  4.31           C
ATOM    124  CH2 TRP A   8      -1.801 -13.346 -22.835  1.00 61.14           C
ATOM      0  H   TRP A   8      -2.771  -8.339 -17.642  1.00 74.32           H   new
ATOM      0  HA  TRP A   8      -3.648  -8.564 -20.461  1.00 32.42           H   new
ATOM      0  HB2 TRP A   8      -4.309 -10.343 -18.082  1.00 42.33           H   new
ATOM      0  HB3 TRP A   8      -4.964 -10.518 -19.698  1.00 42.33           H   new
ATOM      0  HD1 TRP A   8      -1.664 -10.994 -17.747  1.00 31.12           H   new
ATOM      0  HE1 TRP A   8      -0.094 -12.553 -19.084  1.00 40.14           H   new
ATOM      0  HE3 TRP A   8      -4.447 -11.371 -22.016  1.00 52.53           H   new
ATOM      0  HZ2 TRP A   8      -0.100 -13.781 -21.615  1.00  3.24           H   new
ATOM      0  HZ3 TRP A   8      -3.597 -12.765 -23.859  1.00  4.31           H   new
ATOM      0  HH2 TRP A   8      -1.452 -13.951 -23.659  1.00 61.14           H   new
ATOM    135  N   PHE A   9      -5.803  -7.429 -19.999  1.00 32.01           N
ATOM    136  CA  PHE A   9      -7.017  -6.677 -19.755  1.00 74.31           C
ATOM    137  C   PHE A   9      -8.154  -7.258 -20.580  1.00 33.43           C
ATOM    138  O   PHE A   9      -8.437  -6.803 -21.688  1.00 73.50           O
ATOM    139  CB  PHE A   9      -6.816  -5.191 -20.077  1.00 23.13           C
ATOM    140  CG  PHE A   9      -7.987  -4.326 -19.698  1.00 34.44           C
ATOM    141  CD1 PHE A   9      -8.303  -4.111 -18.365  1.00 20.41           C
ATOM    142  CD2 PHE A   9      -8.773  -3.730 -20.673  1.00 34.22           C
ATOM    143  CE1 PHE A   9      -9.378  -3.318 -18.013  1.00 64.24           C
ATOM    144  CE2 PHE A   9      -9.849  -2.935 -20.325  1.00  3.03           C
ATOM    145  CZ  PHE A   9     -10.152  -2.730 -18.994  1.00 73.14           C
ATOM      0  H   PHE A   9      -5.568  -7.545 -20.985  1.00 32.01           H   new
ATOM      0  HA  PHE A   9      -7.271  -6.755 -18.698  1.00 74.31           H   new
ATOM      0  HB2 PHE A   9      -5.928  -4.833 -19.557  1.00 23.13           H   new
ATOM      0  HB3 PHE A   9      -6.626  -5.082 -21.145  1.00 23.13           H   new
ATOM      0  HD1 PHE A   9      -7.702  -4.569 -17.593  1.00 20.41           H   new
ATOM      0  HD2 PHE A   9      -8.542  -3.889 -21.716  1.00 34.22           H   new
ATOM      0  HE1 PHE A   9      -9.613  -3.158 -16.971  1.00 64.24           H   new
ATOM      0  HE2 PHE A   9     -10.452  -2.475 -21.094  1.00  3.03           H   new
ATOM      0  HZ  PHE A   9     -10.993  -2.111 -18.720  1.00 73.14           H   new
ATOM    155  N   ASN A  10      -8.786  -8.288 -20.047  1.00 23.53           N
ATOM    156  CA  ASN A  10      -9.856  -8.965 -20.757  1.00 55.32           C
ATOM    157  C   ASN A  10     -11.183  -8.282 -20.472  1.00 73.35           C
ATOM    158  O   ASN A  10     -12.013  -8.795 -19.713  1.00  2.11           O
ATOM    159  CB  ASN A  10      -9.930 -10.439 -20.360  1.00 50.33           C
ATOM    160  CG  ASN A  10      -8.686 -11.226 -20.732  1.00 15.14           C
ATOM    161  OD1 ASN A  10      -8.582 -11.764 -21.836  1.00 52.43           O
ATOM    162  ND2 ASN A  10      -7.744 -11.317 -19.807  1.00 21.23           N
ATOM      0  H   ASN A  10      -8.577  -8.674 -19.126  1.00 23.53           H   new
ATOM      0  HA  ASN A  10      -9.645  -8.910 -21.825  1.00 55.32           H   new
ATOM      0  HB2 ASN A  10     -10.088 -10.510 -19.284  1.00 50.33           H   new
ATOM      0  HB3 ASN A  10     -10.796 -10.894 -20.840  1.00 50.33           H   new
ATOM      0 HD21 ASN A  10      -6.893 -11.847 -19.996  1.00 21.23           H   new
ATOM      0 HD22 ASN A  10      -7.869 -10.857 -18.905  1.00 21.23           H   new
ATOM    169  N   ALA A  11     -11.364  -7.119 -21.083  1.00 62.43           N
ATOM    170  CA  ALA A  11     -12.554  -6.304 -20.876  1.00  4.12           C
ATOM    171  C   ALA A  11     -13.814  -7.043 -21.301  1.00 10.32           C
ATOM    172  O   ALA A  11     -14.841  -6.974 -20.629  1.00  1.11           O
ATOM    173  CB  ALA A  11     -12.431  -4.995 -21.639  1.00 74.15           C
ATOM      0  H   ALA A  11     -10.692  -6.714 -21.735  1.00 62.43           H   new
ATOM      0  HA  ALA A  11     -12.634  -6.092 -19.810  1.00  4.12           H   new
ATOM      0  HB1 ALA A  11     -13.326  -4.394 -21.477  1.00 74.15           H   new
ATOM      0  HB2 ALA A  11     -11.557  -4.448 -21.285  1.00 74.15           H   new
ATOM      0  HB3 ALA A  11     -12.321  -5.203 -22.703  1.00 74.15           H   new
ATOM    179  N   GLU A  12     -13.719  -7.769 -22.404  1.00 31.35           N
ATOM    180  CA  GLU A  12     -14.862  -8.491 -22.946  1.00  1.12           C
ATOM    181  C   GLU A  12     -15.028  -9.845 -22.270  1.00 64.02           C
ATOM    182  O   GLU A  12     -16.051 -10.511 -22.431  1.00 40.31           O
ATOM    183  CB  GLU A  12     -14.701  -8.680 -24.455  1.00 11.10           C
ATOM    184  CG  GLU A  12     -14.728  -7.380 -25.239  1.00 25.40           C
ATOM    185  CD  GLU A  12     -14.543  -7.603 -26.723  1.00 62.01           C
ATOM    186  OE1 GLU A  12     -15.472  -8.139 -27.369  1.00 32.51           O
ATOM    187  OE2 GLU A  12     -13.470  -7.246 -27.252  1.00 31.34           O
ATOM      0  H   GLU A  12     -12.860  -7.875 -22.944  1.00 31.35           H   new
ATOM      0  HA  GLU A  12     -15.756  -7.899 -22.751  1.00  1.12           H   new
ATOM      0  HB2 GLU A  12     -13.759  -9.192 -24.650  1.00 11.10           H   new
ATOM      0  HB3 GLU A  12     -15.497  -9.330 -24.818  1.00 11.10           H   new
ATOM      0  HG2 GLU A  12     -15.677  -6.873 -25.065  1.00 25.40           H   new
ATOM      0  HG3 GLU A  12     -13.942  -6.720 -24.872  1.00 25.40           H   new
ATOM    194  N   LYS A  13     -14.024 -10.246 -21.508  1.00  5.30           N
ATOM    195  CA  LYS A  13     -14.047 -11.552 -20.865  1.00 33.01           C
ATOM    196  C   LYS A  13     -14.494 -11.427 -19.415  1.00 43.01           C
ATOM    197  O   LYS A  13     -15.061 -12.360 -18.849  1.00 14.13           O
ATOM    198  CB  LYS A  13     -12.672 -12.213 -20.941  1.00 61.12           C
ATOM    199  CG  LYS A  13     -12.082 -12.269 -22.346  1.00 74.43           C
ATOM    200  CD  LYS A  13     -13.009 -12.962 -23.332  1.00 52.44           C
ATOM    201  CE  LYS A  13     -12.281 -14.036 -24.126  1.00 72.11           C
ATOM    202  NZ  LYS A  13     -11.767 -15.122 -23.249  1.00 62.42           N
ATOM      0  H   LYS A  13     -13.188  -9.692 -21.320  1.00  5.30           H   new
ATOM      0  HA  LYS A  13     -14.763 -12.180 -21.395  1.00 33.01           H   new
ATOM      0  HB2 LYS A  13     -11.984 -11.671 -20.292  1.00 61.12           H   new
ATOM      0  HB3 LYS A  13     -12.747 -13.228 -20.550  1.00 61.12           H   new
ATOM      0  HG2 LYS A  13     -11.878 -11.256 -22.693  1.00 74.43           H   new
ATOM      0  HG3 LYS A  13     -11.128 -12.795 -22.317  1.00 74.43           H   new
ATOM      0  HD2 LYS A  13     -13.844 -13.410 -22.794  1.00 52.44           H   new
ATOM      0  HD3 LYS A  13     -13.430 -12.225 -24.016  1.00 52.44           H   new
ATOM      0  HE2 LYS A  13     -12.957 -14.459 -24.869  1.00 72.11           H   new
ATOM      0  HE3 LYS A  13     -11.451 -13.585 -24.670  1.00 72.11           H   new
ATOM      0  HZ1 LYS A  13     -11.684 -16.002 -23.798  1.00 62.42           H   new
ATOM      0  HZ2 LYS A  13     -10.832 -14.856 -22.878  1.00 62.42           H   new
ATOM      0  HZ3 LYS A  13     -12.424 -15.269 -22.457  1.00 62.42           H   new
ATOM    216  N   GLY A  14     -14.224 -10.273 -18.818  1.00 13.52           N
ATOM    217  CA  GLY A  14     -14.712 -10.001 -17.482  1.00 64.30           C
ATOM    218  C   GLY A  14     -13.651 -10.160 -16.409  1.00 45.02           C
ATOM    219  O   GLY A  14     -13.981 -10.361 -15.238  1.00 63.24           O
ATOM      0  H   GLY A  14     -13.676  -9.521 -19.236  1.00 13.52           H   new
ATOM      0  HA2 GLY A  14     -15.105  -8.985 -17.446  1.00 64.30           H   new
ATOM      0  HA3 GLY A  14     -15.543 -10.672 -17.263  1.00 64.30           H   new
ATOM    223  N   PHE A  15     -12.378 -10.059 -16.785  1.00 52.45           N
ATOM    224  CA  PHE A  15     -11.293 -10.192 -15.812  1.00 44.22           C
ATOM    225  C   PHE A  15      -9.985  -9.646 -16.372  1.00 72.33           C
ATOM    226  O   PHE A  15      -9.896  -9.312 -17.551  1.00 64.11           O
ATOM    227  CB  PHE A  15     -11.118 -11.657 -15.375  1.00 20.21           C
ATOM    228  CG  PHE A  15     -10.801 -12.617 -16.492  1.00 62.23           C
ATOM    229  CD1 PHE A  15      -9.487 -12.877 -16.850  1.00 62.30           C
ATOM    230  CD2 PHE A  15     -11.817 -13.265 -17.177  1.00 14.32           C
ATOM    231  CE1 PHE A  15      -9.193 -13.761 -17.869  1.00 55.33           C
ATOM    232  CE2 PHE A  15     -11.528 -14.151 -18.196  1.00 64.51           C
ATOM    233  CZ  PHE A  15     -10.215 -14.398 -18.543  1.00 12.31           C
ATOM      0  H   PHE A  15     -12.073  -9.888 -17.743  1.00 52.45           H   new
ATOM      0  HA  PHE A  15     -11.563  -9.603 -14.936  1.00 44.22           H   new
ATOM      0  HB2 PHE A  15     -10.320 -11.707 -14.634  1.00 20.21           H   new
ATOM      0  HB3 PHE A  15     -12.032 -11.986 -14.881  1.00 20.21           H   new
ATOM      0  HD1 PHE A  15      -8.683 -12.382 -16.325  1.00 62.30           H   new
ATOM      0  HD2 PHE A  15     -12.846 -13.075 -16.911  1.00 14.32           H   new
ATOM      0  HE1 PHE A  15      -8.165 -13.954 -18.138  1.00 55.33           H   new
ATOM      0  HE2 PHE A  15     -12.329 -14.650 -18.721  1.00 64.51           H   new
ATOM      0  HZ  PHE A  15      -9.988 -15.089 -19.341  1.00 12.31           H   new
ATOM    243  N   GLY A  16      -8.973  -9.552 -15.523  1.00 13.10           N
ATOM    244  CA  GLY A  16      -7.689  -9.047 -15.954  1.00 33.40           C
ATOM    245  C   GLY A  16      -6.555  -9.577 -15.106  1.00 13.43           C
ATOM    246  O   GLY A  16      -6.790 -10.229 -14.087  1.00 61.53           O
ATOM      0  H   GLY A  16      -9.020  -9.818 -14.539  1.00 13.10           H   new
ATOM      0  HA2 GLY A  16      -7.522  -9.323 -16.995  1.00 33.40           H   new
ATOM      0  HA3 GLY A  16      -7.695  -7.958 -15.910  1.00 33.40           H   new
ATOM    250  N   PHE A  17      -5.331  -9.295 -15.529  1.00 10.52           N
ATOM    251  CA  PHE A  17      -4.138  -9.728 -14.811  1.00 71.44           C
ATOM    252  C   PHE A  17      -3.141  -8.581 -14.704  1.00 43.42           C
ATOM    253  O   PHE A  17      -2.722  -8.010 -15.717  1.00 31.53           O
ATOM    254  CB  PHE A  17      -3.473 -10.920 -15.510  1.00 42.31           C
ATOM    255  CG  PHE A  17      -4.270 -12.192 -15.453  1.00 51.24           C
ATOM    256  CD1 PHE A  17      -4.201 -13.016 -14.342  1.00 44.03           C
ATOM    257  CD2 PHE A  17      -5.079 -12.568 -16.512  1.00 70.14           C
ATOM    258  CE1 PHE A  17      -4.925 -14.191 -14.288  1.00 42.13           C
ATOM    259  CE2 PHE A  17      -5.807 -13.741 -16.463  1.00 53.31           C
ATOM    260  CZ  PHE A  17      -5.730 -14.554 -15.351  1.00 73.43           C
ATOM      0  H   PHE A  17      -5.136  -8.762 -16.376  1.00 10.52           H   new
ATOM      0  HA  PHE A  17      -4.445 -10.038 -13.812  1.00 71.44           H   new
ATOM      0  HB2 PHE A  17      -3.296 -10.662 -16.554  1.00 42.31           H   new
ATOM      0  HB3 PHE A  17      -2.498 -11.095 -15.056  1.00 42.31           H   new
ATOM      0  HD1 PHE A  17      -3.574 -12.737 -13.508  1.00 44.03           H   new
ATOM      0  HD2 PHE A  17      -5.142 -11.937 -17.386  1.00 70.14           H   new
ATOM      0  HE1 PHE A  17      -4.862 -14.825 -13.416  1.00 42.13           H   new
ATOM      0  HE2 PHE A  17      -6.436 -14.022 -17.295  1.00 53.31           H   new
ATOM      0  HZ  PHE A  17      -6.298 -15.472 -15.311  1.00 73.43           H   new
ATOM    270  N   ILE A  18      -2.771  -8.244 -13.480  1.00 55.53           N
ATOM    271  CA  ILE A  18      -1.809  -7.176 -13.229  1.00 72.40           C
ATOM    272  C   ILE A  18      -0.626  -7.724 -12.435  1.00 53.43           C
ATOM    273  O   ILE A  18      -0.796  -8.171 -11.306  1.00 65.35           O
ATOM    274  CB  ILE A  18      -2.454  -6.015 -12.441  1.00 25.13           C
ATOM    275  CG1 ILE A  18      -3.779  -5.593 -13.087  1.00 52.01           C
ATOM    276  CG2 ILE A  18      -1.500  -4.831 -12.375  1.00 64.12           C
ATOM    277  CD1 ILE A  18      -4.560  -4.579 -12.279  1.00 41.33           C
ATOM      0  H   ILE A  18      -3.124  -8.697 -12.637  1.00 55.53           H   new
ATOM      0  HA  ILE A  18      -1.470  -6.795 -14.192  1.00 72.40           H   new
ATOM      0  HB  ILE A  18      -2.660  -6.359 -11.427  1.00 25.13           H   new
ATOM      0 HG12 ILE A  18      -3.575  -5.177 -14.074  1.00 52.01           H   new
ATOM      0 HG13 ILE A  18      -4.397  -6.478 -13.236  1.00 52.01           H   new
ATOM      0 HG21 ILE A  18      -1.966  -4.019 -11.817  1.00 64.12           H   new
ATOM      0 HG22 ILE A  18      -0.579  -5.133 -11.876  1.00 64.12           H   new
ATOM      0 HG23 ILE A  18      -1.270  -4.492 -13.385  1.00 64.12           H   new
ATOM      0 HD11 ILE A  18      -5.484  -4.331 -12.802  1.00 41.33           H   new
ATOM      0 HD12 ILE A  18      -4.797  -4.998 -11.301  1.00 41.33           H   new
ATOM      0 HD13 ILE A  18      -3.962  -3.677 -12.152  1.00 41.33           H   new
ATOM    289  N   GLU A  19       0.566  -7.683 -13.014  1.00 61.23           N
ATOM    290  CA  GLU A  19       1.717  -8.356 -12.419  1.00  2.04           C
ATOM    291  C   GLU A  19       2.328  -7.550 -11.276  1.00 31.40           C
ATOM    292  O   GLU A  19       2.291  -6.317 -11.271  1.00 13.42           O
ATOM    293  CB  GLU A  19       2.793  -8.629 -13.473  1.00 54.43           C
ATOM    294  CG  GLU A  19       3.447  -7.372 -14.023  1.00 52.41           C
ATOM    295  CD  GLU A  19       4.621  -7.676 -14.931  1.00 33.25           C
ATOM    296  OE1 GLU A  19       4.898  -8.870 -15.179  1.00  3.33           O
ATOM    297  OE2 GLU A  19       5.270  -6.727 -15.409  1.00 50.42           O
ATOM      0  H   GLU A  19       0.763  -7.196 -13.888  1.00 61.23           H   new
ATOM      0  HA  GLU A  19       1.350  -9.300 -12.015  1.00  2.04           H   new
ATOM      0  HB2 GLU A  19       3.562  -9.266 -13.037  1.00 54.43           H   new
ATOM      0  HB3 GLU A  19       2.348  -9.186 -14.297  1.00 54.43           H   new
ATOM      0  HG2 GLU A  19       2.706  -6.793 -14.574  1.00 52.41           H   new
ATOM      0  HG3 GLU A  19       3.785  -6.750 -13.194  1.00 52.41           H   new
ATOM    304  N   ARG A  20       2.877  -8.267 -10.303  1.00 30.24           N
ATOM    305  CA  ARG A  20       3.670  -7.658  -9.250  1.00 64.11           C
ATOM    306  C   ARG A  20       5.094  -8.212  -9.292  1.00 23.22           C
ATOM    307  O   ARG A  20       5.285  -9.428  -9.251  1.00 64.55           O
ATOM    308  CB  ARG A  20       3.060  -7.931  -7.870  1.00 74.41           C
ATOM    309  CG  ARG A  20       3.741  -7.152  -6.753  1.00 71.15           C
ATOM    310  CD  ARG A  20       3.833  -7.957  -5.466  1.00 35.10           C
ATOM    311  NE  ARG A  20       2.529  -8.213  -4.852  1.00 75.14           N
ATOM    312  CZ  ARG A  20       2.205  -9.374  -4.280  1.00  2.30           C
ATOM    313  NH1 ARG A  20       3.043 -10.401  -4.342  1.00 23.12           N
ATOM    314  NH2 ARG A  20       1.044  -9.517  -3.657  1.00 70.21           N
ATOM      0  H   ARG A  20       2.784  -9.280 -10.224  1.00 30.24           H   new
ATOM      0  HA  ARG A  20       3.684  -6.581  -9.415  1.00 64.11           H   new
ATOM      0  HB2 ARG A  20       2.001  -7.675  -7.890  1.00 74.41           H   new
ATOM      0  HB3 ARG A  20       3.126  -8.997  -7.654  1.00 74.41           H   new
ATOM      0  HG2 ARG A  20       4.743  -6.863  -7.072  1.00 71.15           H   new
ATOM      0  HG3 ARG A  20       3.189  -6.231  -6.565  1.00 71.15           H   new
ATOM      0  HD2 ARG A  20       4.322  -8.908  -5.674  1.00 35.10           H   new
ATOM      0  HD3 ARG A  20       4.464  -7.423  -4.755  1.00 35.10           H   new
ATOM      0  HE  ARG A  20       1.834  -7.467  -4.862  1.00 75.14           H   new
ATOM      0 HH11 ARG A  20       3.935 -10.303  -4.827  1.00 23.12           H   new
ATOM      0 HH12 ARG A  20       2.795 -11.289  -3.905  1.00 23.12           H   new
ATOM      0 HH21 ARG A  20       0.390  -8.736  -3.612  1.00 70.21           H   new
ATOM      0 HH22 ARG A  20       0.805 -10.408  -3.223  1.00 70.21           H   new
ATOM    328  N   GLU A  21       6.069  -7.308  -9.417  1.00 10.22           N
ATOM    329  CA  GLU A  21       7.504  -7.632  -9.329  1.00  1.42           C
ATOM    330  C   GLU A  21       7.921  -8.797 -10.231  1.00  3.11           C
ATOM    331  O   GLU A  21       8.282  -8.600 -11.391  1.00  1.40           O
ATOM    332  CB  GLU A  21       7.897  -7.946  -7.881  1.00 33.43           C
ATOM    333  CG  GLU A  21       7.671  -6.796  -6.918  1.00 73.34           C
ATOM    334  CD  GLU A  21       8.372  -5.532  -7.357  1.00 20.45           C
ATOM    335  OE1 GLU A  21       9.618  -5.481  -7.293  1.00  2.42           O
ATOM    336  OE2 GLU A  21       7.678  -4.582  -7.767  1.00 70.42           O
ATOM      0  H   GLU A  21       5.887  -6.318  -9.584  1.00 10.22           H   new
ATOM      0  HA  GLU A  21       8.033  -6.746  -9.680  1.00  1.42           H   new
ATOM      0  HB2 GLU A  21       7.327  -8.810  -7.540  1.00 33.43           H   new
ATOM      0  HB3 GLU A  21       8.950  -8.228  -7.854  1.00 33.43           H   new
ATOM      0  HG2 GLU A  21       6.602  -6.604  -6.830  1.00 73.34           H   new
ATOM      0  HG3 GLU A  21       8.026  -7.080  -5.927  1.00 73.34           H   new
ATOM    343  N   ASN A  22       7.848 -10.005  -9.676  1.00 43.42           N
ATOM    344  CA  ASN A  22       8.297 -11.236 -10.336  1.00 54.15           C
ATOM    345  C   ASN A  22       7.573 -11.466 -11.657  1.00 60.14           C
ATOM    346  O   ASN A  22       8.030 -12.232 -12.507  1.00 11.14           O
ATOM    347  CB  ASN A  22       8.025 -12.449  -9.433  1.00  0.52           C
ATOM    348  CG  ASN A  22       8.656 -12.357  -8.054  1.00 62.01           C
ATOM    349  OD1 ASN A  22       8.873 -11.274  -7.512  1.00 53.40           O
ATOM    350  ND2 ASN A  22       8.930 -13.507  -7.460  1.00 50.03           N
ATOM      0  H   ASN A  22       7.470 -10.162  -8.742  1.00 43.42           H   new
ATOM      0  HA  ASN A  22       9.364 -11.123 -10.526  1.00 54.15           H   new
ATOM      0  HB2 ASN A  22       6.947 -12.568  -9.319  1.00  0.52           H   new
ATOM      0  HB3 ASN A  22       8.394 -13.347  -9.929  1.00  0.52           H   new
ATOM      0 HD21 ASN A  22       9.334 -13.514  -6.523  1.00 50.03           H   new
ATOM      0 HD22 ASN A  22       8.737 -14.387  -7.939  1.00 50.03           H   new
ATOM    357  N   GLY A  23       6.440 -10.808 -11.817  1.00  4.13           N
ATOM    358  CA  GLY A  23       5.570 -11.096 -12.930  1.00 13.34           C
ATOM    359  C   GLY A  23       4.381 -11.895 -12.462  1.00 34.20           C
ATOM    360  O   GLY A  23       3.714 -12.580 -13.242  1.00 42.33           O
ATOM      0  H   GLY A  23       6.106 -10.075 -11.191  1.00  4.13           H   new
ATOM      0  HA2 GLY A  23       5.235 -10.166 -13.391  1.00 13.34           H   new
ATOM      0  HA3 GLY A  23       6.114 -11.652 -13.693  1.00 13.34           H   new
ATOM    364  N   ASP A  24       4.138 -11.820 -11.159  1.00 72.33           N
ATOM    365  CA  ASP A  24       3.008 -12.495 -10.550  1.00 12.32           C
ATOM    366  C   ASP A  24       1.731 -11.782 -10.953  1.00 43.25           C
ATOM    367  O   ASP A  24       1.329 -10.808 -10.316  1.00 22.15           O
ATOM    368  CB  ASP A  24       3.141 -12.504  -9.023  1.00 21.34           C
ATOM    369  CG  ASP A  24       2.369 -13.634  -8.371  1.00 72.01           C
ATOM    370  OD1 ASP A  24       1.124 -13.575  -8.311  1.00 73.24           O
ATOM    371  OD2 ASP A  24       3.018 -14.594  -7.907  1.00 31.33           O
ATOM      0  H   ASP A  24       4.715 -11.294 -10.503  1.00 72.33           H   new
ATOM      0  HA  ASP A  24       2.981 -13.528 -10.895  1.00 12.32           H   new
ATOM      0  HB2 ASP A  24       4.194 -12.588  -8.755  1.00 21.34           H   new
ATOM      0  HB3 ASP A  24       2.787 -11.552  -8.627  1.00 21.34           H   new
ATOM    376  N   ASP A  25       1.153 -12.219 -12.063  1.00  3.25           N
ATOM    377  CA  ASP A  25      -0.073 -11.623 -12.576  1.00 13.23           C
ATOM    378  C   ASP A  25      -1.217 -11.820 -11.592  1.00 12.32           C
ATOM    379  O   ASP A  25      -1.757 -12.921 -11.454  1.00 24.51           O
ATOM    380  CB  ASP A  25      -0.445 -12.218 -13.940  1.00 21.14           C
ATOM    381  CG  ASP A  25       0.629 -12.009 -14.993  1.00 43.23           C
ATOM    382  OD1 ASP A  25       1.019 -10.850 -15.241  1.00 41.25           O
ATOM    383  OD2 ASP A  25       1.093 -13.012 -15.580  1.00 52.42           O
ATOM      0  H   ASP A  25       1.515 -12.987 -12.628  1.00  3.25           H   new
ATOM      0  HA  ASP A  25       0.103 -10.555 -12.702  1.00 13.23           H   new
ATOM      0  HB2 ASP A  25      -0.631 -13.286 -13.826  1.00 21.14           H   new
ATOM      0  HB3 ASP A  25      -1.376 -11.768 -14.285  1.00 21.14           H   new
ATOM    388  N   VAL A  26      -1.558 -10.752 -10.891  1.00 44.42           N
ATOM    389  CA  VAL A  26      -2.643 -10.774  -9.928  1.00 24.12           C
ATOM    390  C   VAL A  26      -3.985 -10.784 -10.654  1.00 63.41           C
ATOM    391  O   VAL A  26      -4.206 -10.001 -11.582  1.00 32.22           O
ATOM    392  CB  VAL A  26      -2.565  -9.555  -8.976  1.00 64.11           C
ATOM    393  CG1 VAL A  26      -3.696  -9.579  -7.961  1.00 21.33           C
ATOM    394  CG2 VAL A  26      -1.216  -9.512  -8.270  1.00 63.31           C
ATOM      0  H   VAL A  26      -1.092  -9.849 -10.974  1.00 44.42           H   new
ATOM      0  HA  VAL A  26      -2.550 -11.681  -9.330  1.00 24.12           H   new
ATOM      0  HB  VAL A  26      -2.671  -8.652  -9.578  1.00 64.11           H   new
ATOM      0 HG11 VAL A  26      -3.616  -8.711  -7.306  1.00 21.33           H   new
ATOM      0 HG12 VAL A  26      -4.653  -9.553  -8.482  1.00 21.33           H   new
ATOM      0 HG13 VAL A  26      -3.632 -10.490  -7.366  1.00 21.33           H   new
ATOM      0 HG21 VAL A  26      -1.180  -8.649  -7.606  1.00 63.31           H   new
ATOM      0 HG22 VAL A  26      -1.081 -10.424  -7.688  1.00 63.31           H   new
ATOM      0 HG23 VAL A  26      -0.420  -9.433  -9.011  1.00 63.31           H   new
ATOM    404  N   PHE A  27      -4.868 -11.678 -10.234  1.00 62.23           N
ATOM    405  CA  PHE A  27      -6.164 -11.837 -10.874  1.00 32.42           C
ATOM    406  C   PHE A  27      -7.151 -10.802 -10.343  1.00  1.21           C
ATOM    407  O   PHE A  27      -7.326 -10.661  -9.133  1.00 42.24           O
ATOM    408  CB  PHE A  27      -6.686 -13.255 -10.630  1.00 11.51           C
ATOM    409  CG  PHE A  27      -7.977 -13.562 -11.329  1.00 42.42           C
ATOM    410  CD1 PHE A  27      -8.007 -13.758 -12.700  1.00 23.14           C
ATOM    411  CD2 PHE A  27      -9.158 -13.663 -10.616  1.00 13.22           C
ATOM    412  CE1 PHE A  27      -9.192 -14.047 -13.346  1.00 11.12           C
ATOM    413  CE2 PHE A  27     -10.346 -13.953 -11.256  1.00  4.23           C
ATOM    414  CZ  PHE A  27     -10.363 -14.147 -12.623  1.00 64.02           C
ATOM      0  H   PHE A  27      -4.708 -12.308  -9.448  1.00 62.23           H   new
ATOM      0  HA  PHE A  27      -6.054 -11.680 -11.947  1.00 32.42           H   new
ATOM      0  HB2 PHE A  27      -5.930 -13.970 -10.956  1.00 11.51           H   new
ATOM      0  HB3 PHE A  27      -6.822 -13.401  -9.558  1.00 11.51           H   new
ATOM      0  HD1 PHE A  27      -7.093 -13.684 -13.270  1.00 23.14           H   new
ATOM      0  HD2 PHE A  27      -9.150 -13.513  -9.546  1.00 13.22           H   new
ATOM      0  HE1 PHE A  27      -9.203 -14.195 -14.416  1.00 11.12           H   new
ATOM      0  HE2 PHE A  27     -11.262 -14.028 -10.688  1.00  4.23           H   new
ATOM      0  HZ  PHE A  27     -11.291 -14.377 -13.125  1.00 64.02           H   new
ATOM    424  N   VAL A  28      -7.789 -10.069 -11.242  1.00 11.51           N
ATOM    425  CA  VAL A  28      -8.709  -9.017 -10.839  1.00 32.44           C
ATOM    426  C   VAL A  28     -10.041  -9.114 -11.588  1.00 32.55           C
ATOM    427  O   VAL A  28     -10.094  -9.565 -12.734  1.00 41.32           O
ATOM    428  CB  VAL A  28      -8.081  -7.616 -11.053  1.00 63.32           C
ATOM    429  CG1 VAL A  28      -7.831  -7.341 -12.529  1.00 20.10           C
ATOM    430  CG2 VAL A  28      -8.950  -6.528 -10.441  1.00 54.11           C
ATOM      0  H   VAL A  28      -7.688 -10.182 -12.251  1.00 11.51           H   new
ATOM      0  HA  VAL A  28      -8.906  -9.155  -9.776  1.00 32.44           H   new
ATOM      0  HB  VAL A  28      -7.117  -7.607 -10.544  1.00 63.32           H   new
ATOM      0 HG11 VAL A  28      -7.390  -6.351 -12.645  1.00 20.10           H   new
ATOM      0 HG12 VAL A  28      -7.148  -8.091 -12.928  1.00 20.10           H   new
ATOM      0 HG13 VAL A  28      -8.775  -7.384 -13.072  1.00 20.10           H   new
ATOM      0 HG21 VAL A  28      -8.486  -5.556 -10.606  1.00 54.11           H   new
ATOM      0 HG22 VAL A  28      -9.935  -6.544 -10.908  1.00 54.11           H   new
ATOM      0 HG23 VAL A  28      -9.053  -6.704  -9.370  1.00 54.11           H   new
ATOM    440  N   HIS A  29     -11.117  -8.719 -10.916  1.00 13.41           N
ATOM    441  CA  HIS A  29     -12.439  -8.646 -11.529  1.00 23.22           C
ATOM    442  C   HIS A  29     -12.838  -7.188 -11.716  1.00 61.44           C
ATOM    443  O   HIS A  29     -12.317  -6.306 -11.031  1.00 41.23           O
ATOM    444  CB  HIS A  29     -13.492  -9.349 -10.665  1.00 72.52           C
ATOM    445  CG  HIS A  29     -13.448 -10.844 -10.721  1.00 22.33           C
ATOM    446  ND1 HIS A  29     -13.488 -11.634  -9.596  1.00 41.33           N
ATOM    447  CD2 HIS A  29     -13.408 -11.693 -11.774  1.00 65.33           C
ATOM    448  CE1 HIS A  29     -13.473 -12.905  -9.953  1.00 53.40           C
ATOM    449  NE2 HIS A  29     -13.427 -12.971 -11.269  1.00 30.34           N
ATOM      0  H   HIS A  29     -11.098  -8.441  -9.935  1.00 13.41           H   new
ATOM      0  HA  HIS A  29     -12.391  -9.149 -12.495  1.00 23.22           H   new
ATOM      0  HB2 HIS A  29     -13.363  -9.034  -9.630  1.00 72.52           H   new
ATOM      0  HB3 HIS A  29     -14.481  -9.016 -10.979  1.00 72.52           H   new
ATOM      0  HD2 HIS A  29     -13.368 -11.417 -12.818  1.00 65.33           H   new
ATOM      0  HE1 HIS A  29     -13.495 -13.749  -9.280  1.00 53.40           H   new
ATOM      0  HE2 HIS A  29     -13.409 -13.829 -11.821  1.00 30.34           H   new
ATOM    458  N   PHE A  30     -13.784  -6.936 -12.610  1.00  4.25           N
ATOM    459  CA  PHE A  30     -14.239  -5.574 -12.874  1.00 11.02           C
ATOM    460  C   PHE A  30     -15.068  -5.033 -11.716  1.00 14.41           C
ATOM    461  O   PHE A  30     -15.314  -3.834 -11.628  1.00 53.24           O
ATOM    462  CB  PHE A  30     -15.034  -5.513 -14.177  1.00 54.42           C
ATOM    463  CG  PHE A  30     -14.162  -5.524 -15.399  1.00 52.21           C
ATOM    464  CD1 PHE A  30     -13.718  -6.716 -15.945  1.00 34.14           C
ATOM    465  CD2 PHE A  30     -13.780  -4.334 -15.998  1.00 33.44           C
ATOM    466  CE1 PHE A  30     -12.905  -6.722 -17.062  1.00  2.15           C
ATOM    467  CE2 PHE A  30     -12.969  -4.334 -17.116  1.00 34.35           C
ATOM    468  CZ  PHE A  30     -12.532  -5.530 -17.649  1.00 62.15           C
ATOM      0  H   PHE A  30     -14.252  -7.653 -13.164  1.00  4.25           H   new
ATOM      0  HA  PHE A  30     -13.356  -4.943 -12.977  1.00 11.02           H   new
ATOM      0  HB2 PHE A  30     -15.718  -6.360 -14.218  1.00 54.42           H   new
ATOM      0  HB3 PHE A  30     -15.644  -4.610 -14.181  1.00 54.42           H   new
ATOM      0  HD1 PHE A  30     -14.010  -7.652 -15.493  1.00 34.14           H   new
ATOM      0  HD2 PHE A  30     -14.120  -3.396 -15.586  1.00 33.44           H   new
ATOM      0  HE1 PHE A  30     -12.562  -7.659 -17.475  1.00  2.15           H   new
ATOM      0  HE2 PHE A  30     -12.677  -3.400 -17.572  1.00 34.35           H   new
ATOM      0  HZ  PHE A  30     -11.899  -5.533 -18.524  1.00 62.15           H   new
ATOM    478  N   SER A  31     -15.489  -5.925 -10.831  1.00 51.42           N
ATOM    479  CA  SER A  31     -16.193  -5.530  -9.618  1.00 45.15           C
ATOM    480  C   SER A  31     -15.223  -4.852  -8.644  1.00 13.43           C
ATOM    481  O   SER A  31     -15.627  -4.086  -7.765  1.00  2.44           O
ATOM    482  CB  SER A  31     -16.835  -6.761  -8.966  1.00 13.02           C
ATOM    483  OG  SER A  31     -17.721  -6.395  -7.924  1.00  2.40           O
ATOM      0  H   SER A  31     -15.355  -6.931 -10.930  1.00 51.42           H   new
ATOM      0  HA  SER A  31     -16.978  -4.819  -9.875  1.00 45.15           H   new
ATOM      0  HB2 SER A  31     -17.376  -7.333  -9.720  1.00 13.02           H   new
ATOM      0  HB3 SER A  31     -16.056  -7.412  -8.570  1.00 13.02           H   new
ATOM      0  HG  SER A  31     -18.114  -7.202  -7.531  1.00  2.40           H   new
ATOM    489  N   ALA A  32     -13.934  -5.137  -8.816  1.00 35.34           N
ATOM    490  CA  ALA A  32     -12.898  -4.557  -7.975  1.00 73.32           C
ATOM    491  C   ALA A  32     -12.212  -3.402  -8.694  1.00 34.42           C
ATOM    492  O   ALA A  32     -11.612  -2.527  -8.067  1.00 31.03           O
ATOM    493  CB  ALA A  32     -11.889  -5.623  -7.578  1.00 43.54           C
ATOM      0  H   ALA A  32     -13.584  -5.770  -9.535  1.00 35.34           H   new
ATOM      0  HA  ALA A  32     -13.360  -4.165  -7.069  1.00 73.32           H   new
ATOM      0  HB1 ALA A  32     -11.118  -5.178  -6.949  1.00 43.54           H   new
ATOM      0  HB2 ALA A  32     -12.395  -6.415  -7.026  1.00 43.54           H   new
ATOM      0  HB3 ALA A  32     -11.430  -6.041  -8.474  1.00 43.54           H   new
ATOM    499  N   ILE A  33     -12.298  -3.411 -10.017  1.00 73.11           N
ATOM    500  CA  ILE A  33     -11.793  -2.313 -10.823  1.00 21.41           C
ATOM    501  C   ILE A  33     -12.771  -1.143 -10.758  1.00 72.03           C
ATOM    502  O   ILE A  33     -13.982  -1.347 -10.651  1.00 25.23           O
ATOM    503  CB  ILE A  33     -11.593  -2.748 -12.296  1.00 75.31           C
ATOM    504  CG1 ILE A  33     -10.629  -3.939 -12.374  1.00 21.23           C
ATOM    505  CG2 ILE A  33     -11.079  -1.587 -13.142  1.00 70.34           C
ATOM    506  CD1 ILE A  33     -10.453  -4.489 -13.774  1.00 21.01           C
ATOM      0  H   ILE A  33     -12.715  -4.171 -10.555  1.00 73.11           H   new
ATOM      0  HA  ILE A  33     -10.825  -2.009 -10.425  1.00 21.41           H   new
ATOM      0  HB  ILE A  33     -12.560  -3.055 -12.696  1.00 75.31           H   new
ATOM      0 HG12 ILE A  33      -9.656  -3.634 -11.988  1.00 21.23           H   new
ATOM      0 HG13 ILE A  33     -10.994  -4.734 -11.724  1.00 21.23           H   new
ATOM      0 HG21 ILE A  33     -10.947  -1.918 -14.172  1.00 70.34           H   new
ATOM      0 HG22 ILE A  33     -11.799  -0.769 -13.113  1.00 70.34           H   new
ATOM      0 HG23 ILE A  33     -10.124  -1.243 -12.746  1.00 70.34           H   new
ATOM      0 HD11 ILE A  33      -9.758  -5.328 -13.750  1.00 21.01           H   new
ATOM      0 HD12 ILE A  33     -11.416  -4.826 -14.156  1.00 21.01           H   new
ATOM      0 HD13 ILE A  33     -10.058  -3.709 -14.424  1.00 21.01           H   new
ATOM    518  N   GLN A  34     -12.249   0.076 -10.793  1.00 35.30           N
ATOM    519  CA  GLN A  34     -13.094   1.262 -10.794  1.00 44.11           C
ATOM    520  C   GLN A  34     -13.859   1.378 -12.115  1.00 62.15           C
ATOM    521  O   GLN A  34     -13.315   1.794 -13.138  1.00 15.11           O
ATOM    522  CB  GLN A  34     -12.256   2.519 -10.533  1.00 12.43           C
ATOM    523  CG  GLN A  34     -11.045   2.656 -11.442  1.00 60.14           C
ATOM    524  CD  GLN A  34     -10.223   3.893 -11.142  1.00 22.33           C
ATOM    525  OE1 GLN A  34      -8.926   3.811 -11.381  1.00 31.41           O   flip
ATOM    526  NE2 GLN A  34     -10.746   4.913 -10.697  1.00 32.34           N   flip
ATOM      0  H   GLN A  34     -11.248   0.269 -10.821  1.00 35.30           H   new
ATOM      0  HA  GLN A  34     -13.823   1.168  -9.989  1.00 44.11           H   new
ATOM      0  HB2 GLN A  34     -12.890   3.397 -10.655  1.00 12.43           H   new
ATOM      0  HB3 GLN A  34     -11.920   2.510  -9.496  1.00 12.43           H   new
ATOM      0  HG2 GLN A  34     -10.415   1.773 -11.337  1.00 60.14           H   new
ATOM      0  HG3 GLN A  34     -11.377   2.689 -12.480  1.00 60.14           H   new
ATOM      0 HE21 GLN A  34     -11.751   4.938 -10.526  1.00 32.34           H   new
ATOM      0 HE22 GLN A  34     -10.175   5.735 -10.499  1.00 32.34           H   new
ATOM    603  N   SER A  40     -11.265   2.102 -19.183  1.00  5.22           N
ATOM    604  CA  SER A  40     -10.462   1.057 -19.798  1.00 32.34           C
ATOM    605  C   SER A  40      -8.988   1.220 -19.442  1.00 34.34           C
ATOM    606  O   SER A  40      -8.406   2.289 -19.632  1.00  2.12           O
ATOM    607  CB  SER A  40     -10.643   1.075 -21.319  1.00 44.25           C
ATOM    608  OG  SER A  40     -12.010   0.924 -21.671  1.00  3.14           O
ATOM      0  HA  SER A  40     -10.802   0.096 -19.412  1.00 32.34           H   new
ATOM      0  HB2 SER A  40     -10.261   2.013 -21.723  1.00 44.25           H   new
ATOM      0  HB3 SER A  40     -10.058   0.273 -21.768  1.00 44.25           H   new
ATOM      0  HG  SER A  40     -12.574   1.229 -20.930  1.00  3.14           H   new
ATOM    614  N   LEU A  41      -8.402   0.163 -18.902  1.00 12.21           N
ATOM    615  CA  LEU A  41      -6.978   0.141 -18.612  1.00  3.20           C
ATOM    616  C   LEU A  41      -6.230  -0.407 -19.817  1.00 11.14           C
ATOM    617  O   LEU A  41      -6.685  -1.355 -20.459  1.00 73.43           O
ATOM    618  CB  LEU A  41      -6.672  -0.714 -17.371  1.00 12.31           C
ATOM    619  CG  LEU A  41      -7.153  -0.150 -16.025  1.00 14.50           C
ATOM    620  CD1 LEU A  41      -6.699   1.290 -15.852  1.00 11.31           C
ATOM    621  CD2 LEU A  41      -8.666  -0.257 -15.886  1.00 32.14           C
ATOM      0  H   LEU A  41      -8.894  -0.695 -18.655  1.00 12.21           H   new
ATOM      0  HA  LEU A  41      -6.652   1.160 -18.403  1.00  3.20           H   new
ATOM      0  HB2 LEU A  41      -7.123  -1.696 -17.512  1.00 12.31           H   new
ATOM      0  HB3 LEU A  41      -5.594  -0.863 -17.315  1.00 12.31           H   new
ATOM      0  HG  LEU A  41      -6.703  -0.751 -15.235  1.00 14.50           H   new
ATOM      0 HD11 LEU A  41      -7.050   1.670 -14.893  1.00 11.31           H   new
ATOM      0 HD12 LEU A  41      -5.610   1.335 -15.883  1.00 11.31           H   new
ATOM      0 HD13 LEU A  41      -7.110   1.900 -16.656  1.00 11.31           H   new
ATOM      0 HD21 LEU A  41      -8.973   0.151 -14.923  1.00 32.14           H   new
ATOM      0 HD22 LEU A  41      -9.146   0.305 -16.687  1.00 32.14           H   new
ATOM      0 HD23 LEU A  41      -8.964  -1.304 -15.948  1.00 32.14           H   new
ATOM    633  N   ASP A  42      -5.099   0.192 -20.137  1.00 54.51           N
ATOM    634  CA  ASP A  42      -4.325  -0.242 -21.288  1.00 74.11           C
ATOM    635  C   ASP A  42      -3.321  -1.310 -20.878  1.00 51.43           C
ATOM    636  O   ASP A  42      -2.818  -1.300 -19.753  1.00 14.54           O
ATOM    637  CB  ASP A  42      -3.607   0.946 -21.927  1.00 63.05           C
ATOM    638  CG  ASP A  42      -2.932   0.576 -23.231  1.00 53.31           C
ATOM    639  OD1 ASP A  42      -3.646   0.344 -24.228  1.00 71.34           O
ATOM    640  OD2 ASP A  42      -1.687   0.517 -23.272  1.00 54.51           O
ATOM      0  H   ASP A  42      -4.697   0.975 -19.622  1.00 54.51           H   new
ATOM      0  HA  ASP A  42      -5.007  -0.670 -22.023  1.00 74.11           H   new
ATOM      0  HB2 ASP A  42      -4.324   1.747 -22.106  1.00 63.05           H   new
ATOM      0  HB3 ASP A  42      -2.862   1.334 -21.232  1.00 63.05           H   new
ATOM    645  N   GLU A  43      -3.054  -2.242 -21.780  1.00 23.22           N
ATOM    646  CA  GLU A  43      -2.085  -3.296 -21.523  1.00 43.05           C
ATOM    647  C   GLU A  43      -0.672  -2.715 -21.520  1.00 43.33           C
ATOM    648  O   GLU A  43      -0.095  -2.446 -22.576  1.00 61.15           O
ATOM    649  CB  GLU A  43      -2.220  -4.401 -22.571  1.00 23.05           C
ATOM    650  CG  GLU A  43      -3.592  -5.058 -22.577  1.00 63.13           C
ATOM    651  CD  GLU A  43      -3.789  -6.000 -23.745  1.00 15.42           C
ATOM    652  OE1 GLU A  43      -3.434  -7.188 -23.627  1.00  1.45           O
ATOM    653  OE2 GLU A  43      -4.311  -5.554 -24.791  1.00 52.11           O
ATOM      0  H   GLU A  43      -3.496  -2.290 -22.698  1.00 23.22           H   new
ATOM      0  HA  GLU A  43      -2.279  -3.731 -20.543  1.00 43.05           H   new
ATOM      0  HB2 GLU A  43      -2.020  -3.983 -23.558  1.00 23.05           H   new
ATOM      0  HB3 GLU A  43      -1.461  -5.162 -22.387  1.00 23.05           H   new
ATOM      0  HG2 GLU A  43      -3.730  -5.608 -21.646  1.00 63.13           H   new
ATOM      0  HG3 GLU A  43      -4.359  -4.285 -22.607  1.00 63.13           H   new
ATOM    660  N   GLY A  44      -0.131  -2.520 -20.325  1.00 33.24           N
ATOM    661  CA  GLY A  44       1.142  -1.843 -20.176  1.00 11.43           C
ATOM    662  C   GLY A  44       1.029  -0.628 -19.269  1.00 74.54           C
ATOM    663  O   GLY A  44       2.006   0.083 -19.045  1.00 35.14           O
ATOM      0  H   GLY A  44      -0.556  -2.822 -19.448  1.00 33.24           H   new
ATOM      0  HA2 GLY A  44       1.877  -2.536 -19.767  1.00 11.43           H   new
ATOM      0  HA3 GLY A  44       1.507  -1.534 -21.155  1.00 11.43           H   new
ATOM    667  N   GLN A  45      -0.174  -0.394 -18.748  1.00 50.12           N
ATOM    668  CA  GLN A  45      -0.434   0.742 -17.862  1.00 42.42           C
ATOM    669  C   GLN A  45      -0.138   0.377 -16.407  1.00 10.33           C
ATOM    670  O   GLN A  45      -0.449  -0.729 -15.965  1.00 54.31           O
ATOM    671  CB  GLN A  45      -1.898   1.185 -18.003  1.00 70.24           C
ATOM    672  CG  GLN A  45      -2.338   2.229 -16.986  1.00 54.21           C
ATOM    673  CD  GLN A  45      -1.603   3.546 -17.127  1.00 64.33           C
ATOM    674  OE1 GLN A  45      -1.215   3.941 -18.224  1.00  4.42           O
ATOM    675  NE2 GLN A  45      -1.393   4.224 -16.013  1.00 44.12           N
ATOM      0  H   GLN A  45      -0.990  -0.980 -18.925  1.00 50.12           H   new
ATOM      0  HA  GLN A  45       0.223   1.563 -18.150  1.00 42.42           H   new
ATOM      0  HB2 GLN A  45      -2.049   1.585 -19.006  1.00 70.24           H   new
ATOM      0  HB3 GLN A  45      -2.541   0.310 -17.909  1.00 70.24           H   new
ATOM      0  HG2 GLN A  45      -3.408   2.404 -17.095  1.00 54.21           H   new
ATOM      0  HG3 GLN A  45      -2.179   1.838 -15.981  1.00 54.21           H   new
ATOM      0 HE21 GLN A  45      -1.732   3.860 -15.123  1.00 44.12           H   new
ATOM      0 HE22 GLN A  45      -0.892   5.112 -16.043  1.00 44.12           H   new
ATOM    684  N   ALA A  46       0.461   1.303 -15.670  1.00 41.10           N
ATOM    685  CA  ALA A  46       0.728   1.094 -14.254  1.00 21.20           C
ATOM    686  C   ALA A  46      -0.439   1.594 -13.404  1.00 23.41           C
ATOM    687  O   ALA A  46      -0.937   2.706 -13.597  1.00 42.32           O
ATOM    688  CB  ALA A  46       2.022   1.785 -13.847  1.00 53.35           C
ATOM      0  H   ALA A  46       0.771   2.206 -16.030  1.00 41.10           H   new
ATOM      0  HA  ALA A  46       0.840   0.024 -14.082  1.00 21.20           H   new
ATOM      0  HB1 ALA A  46       2.205   1.618 -12.786  1.00 53.35           H   new
ATOM      0  HB2 ALA A  46       2.850   1.377 -14.427  1.00 53.35           H   new
ATOM      0  HB3 ALA A  46       1.938   2.855 -14.037  1.00 53.35           H   new
ATOM    694  N   VAL A  47      -0.878   0.762 -12.471  1.00 72.13           N
ATOM    695  CA  VAL A  47      -2.000   1.098 -11.604  1.00 14.02           C
ATOM    696  C   VAL A  47      -1.662   0.809 -10.145  1.00 62.12           C
ATOM    697  O   VAL A  47      -0.676   0.135  -9.852  1.00 64.13           O
ATOM    698  CB  VAL A  47      -3.273   0.311 -11.990  1.00 61.30           C
ATOM    699  CG1 VAL A  47      -3.791   0.744 -13.352  1.00 32.21           C
ATOM    700  CG2 VAL A  47      -3.000  -1.186 -11.978  1.00 43.25           C
ATOM      0  H   VAL A  47      -0.472  -0.157 -12.294  1.00 72.13           H   new
ATOM      0  HA  VAL A  47      -2.193   2.163 -11.732  1.00 14.02           H   new
ATOM      0  HB  VAL A  47      -4.042   0.531 -11.249  1.00 61.30           H   new
ATOM      0 HG11 VAL A  47      -4.687   0.174 -13.598  1.00 32.21           H   new
ATOM      0 HG12 VAL A  47      -4.032   1.807 -13.329  1.00 32.21           H   new
ATOM      0 HG13 VAL A  47      -3.026   0.562 -14.107  1.00 32.21           H   new
ATOM      0 HG21 VAL A  47      -3.908  -1.724 -12.252  1.00 43.25           H   new
ATOM      0 HG22 VAL A  47      -2.211  -1.418 -12.693  1.00 43.25           H   new
ATOM      0 HG23 VAL A  47      -2.686  -1.491 -10.980  1.00 43.25           H   new
ATOM    710  N   THR A  48      -2.484   1.311  -9.239  1.00 15.04           N
ATOM    711  CA  THR A  48      -2.284   1.097  -7.816  1.00 60.44           C
ATOM    712  C   THR A  48      -3.499   0.399  -7.212  1.00 61.03           C
ATOM    713  O   THR A  48      -4.599   0.945  -7.187  1.00 32.40           O
ATOM    714  CB  THR A  48      -2.006   2.428  -7.083  1.00 11.43           C
ATOM    715  OG1 THR A  48      -2.855   3.463  -7.599  1.00 62.24           O
ATOM    716  CG2 THR A  48      -0.547   2.841  -7.235  1.00 62.12           C
ATOM      0  H   THR A  48      -3.303   1.874  -9.467  1.00 15.04           H   new
ATOM      0  HA  THR A  48      -1.410   0.458  -7.690  1.00 60.44           H   new
ATOM      0  HB  THR A  48      -2.217   2.280  -6.024  1.00 11.43           H   new
ATOM      0  HG1 THR A  48      -2.672   4.302  -7.127  1.00 62.24           H   new
ATOM      0 HG21 THR A  48      -0.378   3.781  -6.710  1.00 62.12           H   new
ATOM      0 HG22 THR A  48       0.096   2.069  -6.812  1.00 62.12           H   new
ATOM      0 HG23 THR A  48      -0.313   2.969  -8.292  1.00 62.12           H   new
ATOM    724  N   PHE A  49      -3.292  -0.815  -6.741  1.00 40.41           N
ATOM    725  CA  PHE A  49      -4.382  -1.648  -6.259  1.00 14.21           C
ATOM    726  C   PHE A  49      -4.005  -2.300  -4.940  1.00 72.23           C
ATOM    727  O   PHE A  49      -2.836  -2.296  -4.556  1.00 21.35           O
ATOM    728  CB  PHE A  49      -4.709  -2.723  -7.300  1.00  2.33           C
ATOM    729  CG  PHE A  49      -3.513  -3.528  -7.730  1.00 13.12           C
ATOM    730  CD1 PHE A  49      -3.137  -4.662  -7.032  1.00 44.22           C
ATOM    731  CD2 PHE A  49      -2.764  -3.147  -8.830  1.00 73.45           C
ATOM    732  CE1 PHE A  49      -2.039  -5.403  -7.423  1.00 24.12           C
ATOM    733  CE2 PHE A  49      -1.665  -3.882  -9.224  1.00 50.13           C
ATOM    734  CZ  PHE A  49      -1.301  -5.012  -8.520  1.00 61.30           C
ATOM      0  H   PHE A  49      -2.372  -1.251  -6.681  1.00 40.41           H   new
ATOM      0  HA  PHE A  49      -5.260  -1.023  -6.099  1.00 14.21           H   new
ATOM      0  HB2 PHE A  49      -5.462  -3.397  -6.890  1.00  2.33           H   new
ATOM      0  HB3 PHE A  49      -5.150  -2.247  -8.176  1.00  2.33           H   new
ATOM      0  HD1 PHE A  49      -3.710  -4.972  -6.170  1.00 44.22           H   new
ATOM      0  HD2 PHE A  49      -3.043  -2.264  -9.386  1.00 73.45           H   new
ATOM      0  HE1 PHE A  49      -1.759  -6.288  -6.870  1.00 24.12           H   new
ATOM      0  HE2 PHE A  49      -1.089  -3.573 -10.084  1.00 50.13           H   new
ATOM      0  HZ  PHE A  49      -0.441  -5.588  -8.827  1.00 61.30           H   new
ATOM    744  N   ASP A  50      -4.983  -2.854  -4.241  1.00 23.22           N
ATOM    745  CA  ASP A  50      -4.690  -3.589  -3.017  1.00 71.32           C
ATOM    746  C   ASP A  50      -4.851  -5.086  -3.244  1.00 41.03           C
ATOM    747  O   ASP A  50      -5.915  -5.554  -3.642  1.00 35.45           O
ATOM    748  CB  ASP A  50      -5.581  -3.129  -1.863  1.00 53.24           C
ATOM    749  CG  ASP A  50      -5.128  -3.706  -0.535  1.00 61.41           C
ATOM    750  OD1 ASP A  50      -3.923  -4.000  -0.392  1.00  4.12           O
ATOM    751  OD2 ASP A  50      -5.963  -3.852   0.379  1.00 14.21           O
ATOM      0  H   ASP A  50      -5.971  -2.812  -4.493  1.00 23.22           H   new
ATOM      0  HA  ASP A  50      -3.655  -3.382  -2.745  1.00 71.32           H   new
ATOM      0  HB2 ASP A  50      -5.571  -2.040  -1.808  1.00 53.24           H   new
ATOM      0  HB3 ASP A  50      -6.611  -3.429  -2.057  1.00 53.24           H   new
ATOM    756  N   VAL A  51      -3.784  -5.833  -3.010  1.00  4.40           N
ATOM    757  CA  VAL A  51      -3.808  -7.272  -3.215  1.00 22.54           C
ATOM    758  C   VAL A  51      -4.518  -7.984  -2.066  1.00 74.55           C
ATOM    759  O   VAL A  51      -4.082  -7.923  -0.917  1.00  2.14           O
ATOM    760  CB  VAL A  51      -2.384  -7.849  -3.364  1.00 64.22           C
ATOM    761  CG1 VAL A  51      -2.431  -9.359  -3.551  1.00 22.20           C
ATOM    762  CG2 VAL A  51      -1.658  -7.191  -4.527  1.00 50.43           C
ATOM      0  H   VAL A  51      -2.892  -5.467  -2.678  1.00  4.40           H   new
ATOM      0  HA  VAL A  51      -4.358  -7.446  -4.140  1.00 22.54           H   new
ATOM      0  HB  VAL A  51      -1.833  -7.634  -2.448  1.00 64.22           H   new
ATOM      0 HG11 VAL A  51      -1.417  -9.745  -3.654  1.00 22.20           H   new
ATOM      0 HG12 VAL A  51      -2.908  -9.818  -2.685  1.00 22.20           H   new
ATOM      0 HG13 VAL A  51      -3.002  -9.597  -4.448  1.00 22.20           H   new
ATOM      0 HG21 VAL A  51      -0.656  -7.611  -4.615  1.00 50.43           H   new
ATOM      0 HG22 VAL A  51      -2.210  -7.372  -5.449  1.00 50.43           H   new
ATOM      0 HG23 VAL A  51      -1.587  -6.118  -4.351  1.00 50.43           H   new
ATOM    772  N   GLU A  52      -5.617  -8.641  -2.391  1.00 73.34           N
ATOM    773  CA  GLU A  52      -6.336  -9.472  -1.442  1.00 53.15           C
ATOM    774  C   GLU A  52      -5.856 -10.913  -1.584  1.00 11.33           C
ATOM    775  O   GLU A  52      -5.996 -11.523  -2.647  1.00  1.44           O
ATOM    776  CB  GLU A  52      -7.842  -9.377  -1.710  1.00 73.22           C
ATOM    777  CG  GLU A  52      -8.692 -10.324  -0.874  1.00 74.35           C
ATOM    778  CD  GLU A  52      -8.768  -9.934   0.586  1.00 41.44           C
ATOM    779  OE1 GLU A  52      -9.498  -8.978   0.911  1.00 43.51           O
ATOM    780  OE2 GLU A  52      -8.116 -10.596   1.418  1.00 73.23           O
ATOM      0  H   GLU A  52      -6.036  -8.613  -3.320  1.00 73.34           H   new
ATOM      0  HA  GLU A  52      -6.145  -9.130  -0.425  1.00 53.15           H   new
ATOM      0  HB2 GLU A  52      -8.168  -8.354  -1.522  1.00 73.22           H   new
ATOM      0  HB3 GLU A  52      -8.024  -9.581  -2.765  1.00 73.22           H   new
ATOM      0  HG2 GLU A  52      -9.700 -10.355  -1.287  1.00 74.35           H   new
ATOM      0  HG3 GLU A  52      -8.284 -11.332  -0.952  1.00 74.35           H   new
ATOM    787  N   GLU A  53      -5.259 -11.444  -0.534  1.00 12.51           N
ATOM    788  CA  GLU A  53      -4.767 -12.811  -0.562  1.00 21.31           C
ATOM    789  C   GLU A  53      -5.827 -13.759  -0.025  1.00 71.34           C
ATOM    790  O   GLU A  53      -5.971 -13.934   1.189  1.00 64.31           O
ATOM    791  CB  GLU A  53      -3.469 -12.929   0.236  1.00 41.34           C
ATOM    792  CG  GLU A  53      -2.353 -12.056  -0.315  1.00 21.54           C
ATOM    793  CD  GLU A  53      -1.060 -12.216   0.447  1.00 54.32           C
ATOM    794  OE1 GLU A  53      -0.910 -11.572   1.504  1.00 64.42           O
ATOM    795  OE2 GLU A  53      -0.186 -12.986  -0.007  1.00 10.43           O
ATOM      0  H   GLU A  53      -5.103 -10.953   0.346  1.00 12.51           H   new
ATOM      0  HA  GLU A  53      -4.552 -13.088  -1.594  1.00 21.31           H   new
ATOM      0  HB2 GLU A  53      -3.660 -12.654   1.273  1.00 41.34           H   new
ATOM      0  HB3 GLU A  53      -3.143 -13.969   0.237  1.00 41.34           H   new
ATOM      0  HG2 GLU A  53      -2.186 -12.305  -1.363  1.00 21.54           H   new
ATOM      0  HG3 GLU A  53      -2.663 -11.012  -0.281  1.00 21.54           H   new
ATOM    802  N   GLY A  54      -6.589 -14.343  -0.939  1.00 12.43           N
ATOM    803  CA  GLY A  54      -7.680 -15.210  -0.555  1.00 35.43           C
ATOM    804  C   GLY A  54      -7.352 -16.675  -0.736  1.00 52.42           C
ATOM    805  O   GLY A  54      -6.210 -17.094  -0.534  1.00 50.11           O
ATOM      0  H   GLY A  54      -6.468 -14.229  -1.945  1.00 12.43           H   new
ATOM      0  HA2 GLY A  54      -7.936 -15.025   0.488  1.00 35.43           H   new
ATOM      0  HA3 GLY A  54      -8.561 -14.963  -1.148  1.00 35.43           H   new
ATOM    809  N   GLN A  55      -8.346 -17.448  -1.143  1.00  3.33           N
ATOM    810  CA  GLN A  55      -8.194 -18.890  -1.262  1.00 12.23           C
ATOM    811  C   GLN A  55      -7.624 -19.261  -2.624  1.00 15.22           C
ATOM    812  O   GLN A  55      -6.774 -20.141  -2.736  1.00 42.22           O
ATOM    813  CB  GLN A  55      -9.537 -19.606  -1.058  1.00 41.31           C
ATOM    814  CG  GLN A  55     -10.143 -19.435   0.329  1.00 14.14           C
ATOM    815  CD  GLN A  55     -10.838 -18.099   0.521  1.00 43.34           C
ATOM    816  OE1 GLN A  55     -10.227 -17.119   0.941  1.00 33.11           O
ATOM    817  NE2 GLN A  55     -12.127 -18.054   0.221  1.00 62.35           N
ATOM      0  H   GLN A  55      -9.270 -17.100  -1.397  1.00  3.33           H   new
ATOM      0  HA  GLN A  55      -7.502 -19.212  -0.484  1.00 12.23           H   new
ATOM      0  HB2 GLN A  55     -10.247 -19.237  -1.798  1.00 41.31           H   new
ATOM      0  HB3 GLN A  55      -9.400 -20.670  -1.251  1.00 41.31           H   new
ATOM      0  HG2 GLN A  55     -10.859 -20.238   0.506  1.00 14.14           H   new
ATOM      0  HG3 GLN A  55      -9.357 -19.538   1.077  1.00 14.14           H   new
ATOM      0 HE21 GLN A  55     -12.599 -18.889  -0.125  1.00 62.35           H   new
ATOM      0 HE22 GLN A  55     -12.647 -17.184   0.336  1.00 62.35           H   new
ATOM    826  N   ARG A  56      -8.090 -18.582  -3.658  1.00 53.04           N
ATOM    827  CA  ARG A  56      -7.680 -18.902  -5.018  1.00 62.22           C
ATOM    828  C   ARG A  56      -6.757 -17.833  -5.583  1.00 41.34           C
ATOM    829  O   ARG A  56      -7.197 -16.932  -6.298  1.00 25.01           O
ATOM    830  CB  ARG A  56      -8.905 -19.088  -5.916  1.00 13.41           C
ATOM    831  CG  ARG A  56      -9.714 -20.328  -5.576  1.00 41.34           C
ATOM    832  CD  ARG A  56     -11.011 -20.380  -6.364  1.00 44.33           C
ATOM    833  NE  ARG A  56     -11.958 -19.351  -5.933  1.00 12.25           N
ATOM    834  CZ  ARG A  56     -12.909 -18.838  -6.711  1.00 62.34           C
ATOM    835  NH1 ARG A  56     -13.029 -19.227  -7.974  1.00 34.25           N
ATOM    836  NH2 ARG A  56     -13.742 -17.929  -6.226  1.00 45.05           N
ATOM      0  H   ARG A  56      -8.750 -17.808  -3.584  1.00 53.04           H   new
ATOM      0  HA  ARG A  56      -7.124 -19.839  -4.990  1.00 62.22           H   new
ATOM      0  HB2 ARG A  56      -9.545 -18.210  -5.832  1.00 13.41           H   new
ATOM      0  HB3 ARG A  56      -8.580 -19.148  -6.955  1.00 13.41           H   new
ATOM      0  HG2 ARG A  56      -9.123 -21.219  -5.788  1.00 41.34           H   new
ATOM      0  HG3 ARG A  56      -9.935 -20.338  -4.509  1.00 41.34           H   new
ATOM      0  HD2 ARG A  56     -10.796 -20.252  -7.425  1.00 44.33           H   new
ATOM      0  HD3 ARG A  56     -11.467 -21.363  -6.247  1.00 44.33           H   new
ATOM      0  HE  ARG A  56     -11.885 -19.005  -4.976  1.00 12.25           H   new
ATOM      0 HH11 ARG A  56     -12.390 -19.924  -8.356  1.00 34.25           H   new
ATOM      0 HH12 ARG A  56     -13.760 -18.829  -8.563  1.00 34.25           H   new
ATOM      0 HH21 ARG A  56     -13.655 -17.623  -5.257  1.00 45.05           H   new
ATOM      0 HH22 ARG A  56     -14.471 -17.536  -6.822  1.00 45.05           H   new
ATOM    850  N   GLY A  57      -5.481 -17.932  -5.231  1.00 63.53           N
ATOM    851  CA  GLY A  57      -4.490 -17.001  -5.730  1.00 24.31           C
ATOM    852  C   GLY A  57      -4.663 -15.600  -5.175  1.00 33.50           C
ATOM    853  O   GLY A  57      -5.448 -15.385  -4.245  1.00 55.43           O
ATOM      0  H   GLY A  57      -5.114 -18.647  -4.603  1.00 63.53           H   new
ATOM      0  HA2 GLY A  57      -3.495 -17.367  -5.476  1.00 24.31           H   new
ATOM      0  HA3 GLY A  57      -4.548 -16.965  -6.818  1.00 24.31           H   new
ATOM    857  N   PRO A  58      -3.914 -14.627  -5.706  1.00 62.41           N
ATOM    858  CA  PRO A  58      -4.050 -13.231  -5.325  1.00 74.52           C
ATOM    859  C   PRO A  58      -5.122 -12.521  -6.149  1.00 75.44           C
ATOM    860  O   PRO A  58      -5.075 -12.518  -7.381  1.00  5.50           O
ATOM    861  CB  PRO A  58      -2.663 -12.667  -5.626  1.00 41.22           C
ATOM    862  CG  PRO A  58      -2.167 -13.471  -6.783  1.00 21.34           C
ATOM    863  CD  PRO A  58      -2.852 -14.817  -6.714  1.00 30.22           C
ATOM      0  HA  PRO A  58      -4.361 -13.100  -4.289  1.00 74.52           H   new
ATOM      0  HB2 PRO A  58      -2.712 -11.607  -5.873  1.00 41.22           H   new
ATOM      0  HB3 PRO A  58      -2.002 -12.763  -4.765  1.00 41.22           H   new
ATOM      0  HG2 PRO A  58      -2.393 -12.971  -7.725  1.00 21.34           H   new
ATOM      0  HG3 PRO A  58      -1.084 -13.587  -6.736  1.00 21.34           H   new
ATOM      0  HD2 PRO A  58      -3.266 -15.104  -7.681  1.00 30.22           H   new
ATOM      0  HD3 PRO A  58      -2.158 -15.603  -6.419  1.00 30.22           H   new
ATOM    871  N   GLN A  59      -6.094 -11.942  -5.467  1.00 31.42           N
ATOM    872  CA  GLN A  59      -7.153 -11.201  -6.131  1.00 12.43           C
ATOM    873  C   GLN A  59      -6.991  -9.712  -5.859  1.00 51.44           C
ATOM    874  O   GLN A  59      -6.860  -9.290  -4.714  1.00 11.11           O
ATOM    875  CB  GLN A  59      -8.530 -11.700  -5.675  1.00 33.24           C
ATOM    876  CG  GLN A  59      -8.666 -11.832  -4.166  1.00  2.50           C
ATOM    877  CD  GLN A  59     -10.028 -12.338  -3.725  1.00  1.52           C
ATOM    878  OE1 GLN A  59     -11.067 -12.001  -4.476  1.00  1.12           O   flip
ATOM    879  NE2 GLN A  59     -10.147 -13.019  -2.705  1.00 10.43           N   flip
ATOM      0  H   GLN A  59      -6.172 -11.971  -4.450  1.00 31.42           H   new
ATOM      0  HA  GLN A  59      -7.081 -11.366  -7.206  1.00 12.43           H   new
ATOM      0  HB2 GLN A  59      -9.294 -11.014  -6.041  1.00 33.24           H   new
ATOM      0  HB3 GLN A  59      -8.725 -12.669  -6.134  1.00 33.24           H   new
ATOM      0  HG2 GLN A  59      -7.897 -12.511  -3.797  1.00  2.50           H   new
ATOM      0  HG3 GLN A  59      -8.481 -10.861  -3.706  1.00  2.50           H   new
ATOM      0 HE21 GLN A  59      -9.324 -13.258  -2.153  1.00 10.43           H   new
ATOM      0 HE22 GLN A  59     -11.069 -13.343  -2.413  1.00 10.43           H   new
ATOM    888  N   ALA A  60      -6.965  -8.920  -6.914  1.00 64.41           N
ATOM    889  CA  ALA A  60      -6.788  -7.486  -6.769  1.00 44.35           C
ATOM    890  C   ALA A  60      -8.095  -6.818  -6.368  1.00 12.13           C
ATOM    891  O   ALA A  60      -9.082  -6.871  -7.102  1.00 44.12           O
ATOM    892  CB  ALA A  60      -6.249  -6.881  -8.055  1.00 30.03           C
ATOM      0  H   ALA A  60      -7.064  -9.242  -7.877  1.00 64.41           H   new
ATOM      0  HA  ALA A  60      -6.061  -7.311  -5.976  1.00 44.35           H   new
ATOM      0  HB1 ALA A  60      -6.123  -5.806  -7.927  1.00 30.03           H   new
ATOM      0  HB2 ALA A  60      -5.286  -7.333  -8.294  1.00 30.03           H   new
ATOM      0  HB3 ALA A  60      -6.950  -7.070  -8.868  1.00 30.03           H   new
ATOM    898  N   ALA A  61      -8.098  -6.206  -5.194  1.00 20.32           N
ATOM    899  CA  ALA A  61      -9.263  -5.499  -4.694  1.00 22.34           C
ATOM    900  C   ALA A  61      -8.990  -4.002  -4.677  1.00 62.35           C
ATOM    901  O   ALA A  61      -7.974  -3.562  -4.139  1.00  3.13           O
ATOM    902  CB  ALA A  61      -9.628  -5.992  -3.301  1.00 63.13           C
ATOM      0  H   ALA A  61      -7.296  -6.186  -4.564  1.00 20.32           H   new
ATOM      0  HA  ALA A  61     -10.107  -5.695  -5.356  1.00 22.34           H   new
ATOM      0  HB1 ALA A  61     -10.503  -5.451  -2.941  1.00 63.13           H   new
ATOM      0  HB2 ALA A  61      -9.850  -7.058  -3.339  1.00 63.13           H   new
ATOM      0  HB3 ALA A  61      -8.792  -5.820  -2.623  1.00 63.13           H   new
ATOM    908  N   ASN A  62      -9.901  -3.233  -5.271  1.00 10.44           N
ATOM    909  CA  ASN A  62      -9.741  -1.784  -5.401  1.00 44.23           C
ATOM    910  C   ASN A  62      -8.537  -1.452  -6.273  1.00 61.45           C
ATOM    911  O   ASN A  62      -7.393  -1.444  -5.808  1.00 43.14           O
ATOM    912  CB  ASN A  62      -9.612  -1.098  -4.033  1.00  3.44           C
ATOM    913  CG  ASN A  62     -10.900  -1.150  -3.235  1.00 71.43           C
ATOM    914  OD1 ASN A  62     -11.754  -0.275  -3.358  1.00 31.20           O
ATOM    915  ND2 ASN A  62     -11.040  -2.164  -2.393  1.00 23.32           N
ATOM      0  H   ASN A  62     -10.766  -3.593  -5.674  1.00 10.44           H   new
ATOM      0  HA  ASN A  62     -10.642  -1.401  -5.880  1.00 44.23           H   new
ATOM      0  HB2 ASN A  62      -8.816  -1.577  -3.463  1.00  3.44           H   new
ATOM      0  HB3 ASN A  62      -9.319  -0.058  -4.178  1.00  3.44           H   new
ATOM      0 HD21 ASN A  62     -11.880  -2.238  -1.818  1.00 23.32           H   new
ATOM      0 HD22 ASN A  62     -10.308  -2.871  -2.320  1.00 23.32           H   new
ATOM    922  N   VAL A  63      -8.802  -1.207  -7.548  1.00 21.34           N
ATOM    923  CA  VAL A  63      -7.754  -0.871  -8.495  1.00 24.20           C
ATOM    924  C   VAL A  63      -7.867   0.584  -8.931  1.00 63.40           C
ATOM    925  O   VAL A  63      -8.770   0.950  -9.684  1.00 15.11           O
ATOM    926  CB  VAL A  63      -7.805  -1.780  -9.742  1.00 21.11           C
ATOM    927  CG1 VAL A  63      -6.663  -1.461 -10.697  1.00 20.12           C
ATOM    928  CG2 VAL A  63      -7.770  -3.246  -9.341  1.00 65.11           C
ATOM      0  H   VAL A  63      -9.739  -1.235  -7.950  1.00 21.34           H   new
ATOM      0  HA  VAL A  63      -6.802  -1.026  -7.988  1.00 24.20           H   new
ATOM      0  HB  VAL A  63      -8.745  -1.586 -10.260  1.00 21.11           H   new
ATOM      0 HG11 VAL A  63      -6.722  -2.115 -11.567  1.00 20.12           H   new
ATOM      0 HG12 VAL A  63      -6.737  -0.422 -11.019  1.00 20.12           H   new
ATOM      0 HG13 VAL A  63      -5.711  -1.617 -10.190  1.00 20.12           H   new
ATOM      0 HG21 VAL A  63      -7.807  -3.869 -10.235  1.00 65.11           H   new
ATOM      0 HG22 VAL A  63      -6.850  -3.452  -8.793  1.00 65.11           H   new
ATOM      0 HG23 VAL A  63      -8.628  -3.470  -8.707  1.00 65.11           H   new
ATOM    938  N   GLN A  64      -6.952   1.407  -8.444  1.00 61.22           N
ATOM    939  CA  GLN A  64      -6.900   2.812  -8.811  1.00 51.52           C
ATOM    940  C   GLN A  64      -5.783   3.013  -9.837  1.00 22.45           C
ATOM    941  O   GLN A  64      -4.979   2.111 -10.065  1.00 62.15           O
ATOM    942  CB  GLN A  64      -6.655   3.671  -7.562  1.00 54.40           C
ATOM    943  CG  GLN A  64      -6.839   5.164  -7.786  1.00  1.14           C
ATOM    944  CD  GLN A  64      -6.498   5.982  -6.556  1.00 54.35           C
ATOM    945  OE1 GLN A  64      -5.351   6.383  -6.365  1.00 32.33           O
ATOM    946  NE2 GLN A  64      -7.489   6.242  -5.720  1.00 75.12           N
ATOM      0  H   GLN A  64      -6.227   1.121  -7.786  1.00 61.22           H   new
ATOM      0  HA  GLN A  64      -7.849   3.119  -9.250  1.00 51.52           H   new
ATOM      0  HB2 GLN A  64      -7.334   3.347  -6.773  1.00 54.40           H   new
ATOM      0  HB3 GLN A  64      -5.641   3.491  -7.204  1.00 54.40           H   new
ATOM      0  HG2 GLN A  64      -6.210   5.484  -8.617  1.00  1.14           H   new
ATOM      0  HG3 GLN A  64      -7.872   5.360  -8.074  1.00  1.14           H   new
ATOM      0 HE21 GLN A  64      -8.426   5.891  -5.915  1.00 75.12           H   new
ATOM      0 HE22 GLN A  64      -7.316   6.794  -4.880  1.00 75.12           H   new
ATOM    955  N   LYS A  65      -5.734   4.178 -10.467  1.00  5.52           N
ATOM    956  CA  LYS A  65      -4.716   4.449 -11.473  1.00 31.11           C
ATOM    957  C   LYS A  65      -3.630   5.356 -10.908  1.00 41.54           C
ATOM    958  O   LYS A  65      -3.863   6.101  -9.953  1.00 74.44           O
ATOM    959  CB  LYS A  65      -5.338   5.085 -12.719  1.00 32.32           C
ATOM    960  CG  LYS A  65      -6.301   4.170 -13.459  1.00 24.41           C
ATOM    961  CD  LYS A  65      -6.863   4.837 -14.703  1.00  2.22           C
ATOM    962  CE  LYS A  65      -7.680   6.067 -14.357  1.00 23.25           C
ATOM    963  NZ  LYS A  65      -8.205   6.737 -15.571  1.00 40.32           N
ATOM      0  H   LYS A  65      -6.383   4.947 -10.301  1.00  5.52           H   new
ATOM      0  HA  LYS A  65      -4.264   3.499 -11.758  1.00 31.11           H   new
ATOM      0  HB2 LYS A  65      -5.866   5.993 -12.427  1.00 32.32           H   new
ATOM      0  HB3 LYS A  65      -4.541   5.384 -13.399  1.00 32.32           H   new
ATOM      0  HG2 LYS A  65      -5.787   3.250 -13.739  1.00 24.41           H   new
ATOM      0  HG3 LYS A  65      -7.119   3.889 -12.796  1.00 24.41           H   new
ATOM      0  HD2 LYS A  65      -6.045   5.118 -15.367  1.00  2.22           H   new
ATOM      0  HD3 LYS A  65      -7.486   4.127 -15.247  1.00  2.22           H   new
ATOM      0  HE2 LYS A  65      -8.510   5.782 -13.711  1.00 23.25           H   new
ATOM      0  HE3 LYS A  65      -7.063   6.767 -13.793  1.00 23.25           H   new
ATOM      0  HZ1 LYS A  65      -8.758   7.573 -15.294  1.00 40.32           H   new
ATOM      0  HZ2 LYS A  65      -7.412   7.031 -16.176  1.00 40.32           H   new
ATOM      0  HZ3 LYS A  65      -8.814   6.077 -16.096  1.00 40.32           H   new
ATOM    977  N   ALA A  66      -2.443   5.273 -11.493  1.00 23.53           N
ATOM    978  CA  ALA A  66      -1.331   6.115 -11.089  1.00 35.22           C
ATOM    979  C   ALA A  66      -1.321   7.390 -11.921  1.00 70.24           C
ATOM    980  O   ALA A  66      -0.728   7.383 -13.022  1.00 61.14           O
ATOM    981  CB  ALA A  66      -0.014   5.364 -11.237  1.00 71.30           C
ATOM    982  OXT ALA A  66      -1.931   8.387 -11.488  1.00  0.00           O
ATOM      0  H   ALA A  66      -2.227   4.627 -12.252  1.00 23.53           H   new
ATOM      0  HA  ALA A  66      -1.451   6.383 -10.039  1.00 35.22           H   new
ATOM      0  HB1 ALA A  66       0.809   6.009 -10.930  1.00 71.30           H   new
ATOM      0  HB2 ALA A  66      -0.031   4.473 -10.609  1.00 71.30           H   new
ATOM      0  HB3 ALA A  66       0.123   5.071 -12.278  1.00 71.30           H   new