USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 282 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   2 THR OG1 :   rot  128:sc=    1.32
USER  MOD Single : A   3 THR OG1 :   rot -114:sc=   0.121
USER  MOD Single : A   5 TYR OH  :   rot -162:sc=  -0.471
USER  MOD Single : A   8 LYS NZ  :NH3+   -173:sc=-0.00972   (180deg=-0.0846)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   41:sc=   -0.37!
USER  MOD Single : A  17 THR OG1 :   rot   76:sc=  -0.969
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 ASN     :      amide:sc=   -0.47  X(o=-0.47,f=-0.064)
USER  MOD Single : A  26 TYR OH  :   rot  -15:sc=   0.795
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     10  N   THR A   2       0.677   0.751   7.311  1.00  1.13           N
ATOM     11  CA  THR A   2       0.014  -0.316   6.584  1.00  0.62           C
ATOM     12  C   THR A   2       0.940  -0.920   5.528  1.00  0.47           C
ATOM     13  O   THR A   2       0.925  -0.517   4.364  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.281   0.202   5.922  1.00  0.67           C
ATOM     15  OG1 THR A   2      -1.053   1.486   5.332  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.410   0.304   6.935  1.00  1.00           C
ATOM      0  HA  THR A   2      -0.245  -1.097   7.299  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.570  -0.510   5.149  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -1.354   1.476   4.399  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -3.310   0.671   6.441  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -2.606  -0.680   7.362  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.125   0.994   7.729  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.763  -1.876   5.943  1.00  0.58           N
ATOM     25  CA  THR A   3       2.668  -2.543   5.022  1.00  0.55           C
ATOM     26  C   THR A   3       1.900  -3.558   4.174  1.00  0.43           C
ATOM     27  O   THR A   3       0.899  -4.130   4.616  1.00  0.53           O
ATOM     28  CB  THR A   3       3.837  -3.232   5.768  1.00  0.70           C
ATOM     29  OG1 THR A   3       4.808  -3.710   4.834  1.00  1.12           O
ATOM     30  CG2 THR A   3       3.353  -4.392   6.623  1.00  0.98           C
ATOM      0  H   THR A   3       1.821  -2.204   6.907  1.00  0.58           H   new
ATOM      0  HA  THR A   3       3.099  -1.785   4.368  1.00  0.55           H   new
ATOM      0  HB  THR A   3       4.288  -2.486   6.423  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.838  -4.689   4.865  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       4.202  -4.849   7.130  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       2.642  -4.026   7.364  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       2.867  -5.133   5.989  1.00  0.98           H   new
ATOM     38  N   CYS A   4       2.352  -3.762   2.950  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.652  -4.620   2.012  1.00  0.45           C
ATOM     40  C   CYS A   4       2.632  -5.266   1.042  1.00  0.38           C
ATOM     41  O   CYS A   4       3.286  -4.585   0.261  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.603  -3.800   1.261  1.00  0.73           C
ATOM     43  SG  CYS A   4      -0.132  -4.637  -0.177  1.00  1.01           S
ATOM      0  H   CYS A   4       3.205  -3.343   2.581  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.152  -5.419   2.560  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.194  -3.533   1.955  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4       1.061  -2.869   0.927  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.744  -6.584   1.106  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.679  -7.310   0.260  1.00  0.50           C
ATOM     50  C   TYR A   5       2.981  -7.871  -0.969  1.00  0.61           C
ATOM     51  O   TYR A   5       2.190  -8.814  -0.868  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.336  -8.458   1.036  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.299  -8.016   2.114  1.00  0.56           C
ATOM     54  CD1 TYR A   5       4.831  -7.446   3.292  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.670  -8.157   1.951  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.709  -7.036   4.279  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.552  -7.753   2.933  1.00  0.66           C
ATOM     58  CZ  TYR A   5       7.073  -7.214   4.099  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.943  -6.792   5.077  1.00  0.81           O
ATOM      0  H   TYR A   5       2.199  -7.173   1.735  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.447  -6.605  -0.058  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.554  -9.066   1.492  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.868  -9.098   0.332  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.768  -7.322   3.439  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       7.054  -8.591   1.039  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.335  -6.580   5.184  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.616  -7.861   2.783  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       8.846  -6.721   4.703  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.274  -7.298  -2.127  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.815  -7.868  -3.382  1.00  0.62           C
ATOM     71  C   CYS A   6       3.829  -8.901  -3.843  1.00  0.70           C
ATOM     72  O   CYS A   6       4.874  -8.563  -4.413  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.607  -6.789  -4.452  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.177  -5.696  -4.136  1.00  1.20           S
ATOM      0  H   CYS A   6       3.824  -6.444  -2.222  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.847  -8.343  -3.225  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.509  -6.180  -4.520  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.475  -7.272  -5.420  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.528 -10.159  -3.558  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.476 -11.224  -3.796  1.00  0.97           C
ATOM     81  C   GLY A   7       5.734 -11.040  -2.976  1.00  0.93           C
ATOM     82  O   GLY A   7       5.703 -11.124  -1.745  1.00  1.01           O
ATOM      0  H   GLY A   7       2.637 -10.461  -3.163  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       4.018 -12.182  -3.551  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.732 -11.255  -4.855  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.829 -10.756  -3.658  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.109 -10.560  -3.005  1.00  0.94           C
ATOM     88  C   LYS A   8       8.317  -9.099  -2.622  1.00  0.79           C
ATOM     89  O   LYS A   8       9.095  -8.794  -1.715  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.243 -11.003  -3.937  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.342 -10.166  -5.207  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.558 -10.539  -6.038  1.00  2.18           C
ATOM     93  CE  LYS A   8      10.700  -9.638  -7.257  1.00  3.07           C
ATOM     94  NZ  LYS A   8       9.546  -9.753  -8.188  1.00  3.65           N
ATOM      0  H   LYS A   8       6.856 -10.655  -4.673  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       8.116 -11.162  -2.096  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8      10.189 -10.947  -3.399  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       9.093 -12.048  -4.210  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.439 -10.302  -5.803  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.393  -9.110  -4.943  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.456 -10.466  -5.424  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.475 -11.577  -6.360  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      10.797  -8.603  -6.930  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      11.618  -9.892  -7.788  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8       9.744  -9.213  -9.055  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8       9.394 -10.753  -8.430  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8       8.692  -9.373  -7.731  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.621  -8.200  -3.299  1.00  0.66           N
ATOM    109  CA  THR A   9       7.922  -6.786  -3.188  1.00  0.55           C
ATOM    110  C   THR A   9       7.095  -6.119  -2.093  1.00  0.42           C
ATOM    111  O   THR A   9       5.860  -6.106  -2.142  1.00  0.42           O
ATOM    112  CB  THR A   9       7.683  -6.073  -4.529  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.061  -6.940  -5.612  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.496  -4.788  -4.599  1.00  0.50           C
ATOM      0  H   THR A   9       6.849  -8.424  -3.927  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.975  -6.700  -2.919  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.625  -5.826  -4.610  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       7.906  -6.484  -6.465  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.316  -4.295  -5.554  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       8.199  -4.125  -3.787  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.556  -5.023  -4.506  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.787  -5.581  -1.096  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.131  -4.871  -0.012  1.00  0.32           C
ATOM    124  C   ILE A  10       6.735  -3.463  -0.446  1.00  0.24           C
ATOM    125  O   ILE A  10       7.562  -2.676  -0.914  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.014  -4.804   1.261  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.337  -3.940   2.334  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.408  -4.277   0.940  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.158  -3.766   3.596  1.00  1.06           C
ATOM      0  H   ILE A  10       8.803  -5.625  -1.018  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.232  -5.435   0.236  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.126  -5.816   1.650  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.124  -2.957   1.913  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.379  -4.389   2.596  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10      10.003  -4.242   1.853  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.889  -4.937   0.218  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.330  -3.275   0.519  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.610  -3.143   4.303  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.349  -4.742   4.043  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.106  -3.288   3.350  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.459  -3.171  -0.318  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.959  -1.857  -0.622  1.00  0.32           C
ATOM    143  C   GLY A  11       4.121  -1.320   0.512  1.00  0.28           C
ATOM    144  O   GLY A  11       4.098  -1.897   1.602  1.00  0.36           O
ATOM      0  H   GLY A  11       4.749  -3.833  -0.004  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.793  -1.182  -0.813  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       4.363  -1.893  -1.534  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.434  -0.223   0.268  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.621   0.399   1.291  1.00  0.25           C
ATOM    150  C   ILE A  12       1.161   0.458   0.836  1.00  0.22           C
ATOM    151  O   ILE A  12       0.861   0.826  -0.304  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.184   1.803   1.662  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.415   2.448   2.836  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.201   2.722   0.449  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.166   3.206   2.437  1.00  0.29           C
ATOM      0  H   ILE A  12       3.423   0.257  -0.632  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.657  -0.205   2.198  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.212   1.658   1.995  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.138   1.667   3.544  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.085   3.130   3.360  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.598   3.696   0.736  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.830   2.288  -0.328  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.186   2.842   0.069  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.694   3.623   3.326  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.433   4.013   1.755  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.471   2.528   1.942  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.268   0.057   1.728  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.154  -0.024   1.434  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.852   1.299   1.733  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.060   1.664   2.890  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.773  -1.170   2.249  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.288  -1.199   2.276  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.010  -0.966   1.114  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -3.993  -1.436   3.450  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.389  -0.977   1.114  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.377  -1.451   3.458  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.067  -1.285   2.364  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.445  -1.221   2.286  1.00  0.80           O
ATOM      0  H   TYR A  13       0.510  -0.222   2.679  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.288  -0.227   0.371  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.415  -2.117   1.844  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.409  -1.103   3.274  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.482  -0.772   0.192  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.453  -1.611   4.369  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.948  -0.764   0.215  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -5.897  -1.604   4.392  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.744  -1.619   1.442  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.203   2.016   0.681  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.902   3.281   0.817  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.404   3.050   0.887  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.061   2.903  -0.142  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.588   4.202  -0.362  1.00  0.23           C
ATOM    193  CG  TRP A  14      -1.143   4.586  -0.470  1.00  0.23           C
ATOM    194  CD1 TRP A  14      -0.168   3.915  -1.147  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.514   5.737   0.102  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.029   4.574  -1.029  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.844   5.696  -0.262  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.969   6.795   0.895  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.750   6.676   0.134  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.070   7.769   1.285  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.278   7.702   0.907  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.014   1.742  -0.283  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.564   3.755   1.739  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.892   3.709  -1.285  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.188   5.108  -0.272  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.317   2.997  -1.697  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       1.913   4.278  -1.444  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.004   6.850   1.197  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.789   6.628  -0.158  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.411   8.595   1.891  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.958   8.476   1.232  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.944   2.991   2.093  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.386   2.869   2.269  1.00  0.38           C
ATOM    214  C   PHE A  15      -7.039   4.234   2.069  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.858   5.142   2.885  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.717   2.319   3.662  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.194   2.207   3.943  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.918   1.117   3.484  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.858   3.188   4.666  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.272   1.009   3.739  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.212   3.081   4.921  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.918   2.009   4.464  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.411   3.025   2.962  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.776   2.170   1.529  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.262   1.335   3.770  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.263   2.965   4.414  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.418   0.343   2.921  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.311   4.044   5.033  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.826   0.155   3.379  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.714   3.852   5.486  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.977   1.934   4.663  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.768   4.387   0.973  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.422   5.647   0.685  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.251   6.061  -0.760  1.00  0.65           C
ATOM    235  O   GLY A  16      -9.231   6.180  -1.498  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.919   3.658   0.276  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.484   5.564   0.914  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.015   6.422   1.334  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.010   6.265  -1.178  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.731   6.650  -2.552  1.00  0.47           C
ATOM    241  C   THR A  17      -6.603   5.416  -3.439  1.00  0.50           C
ATOM    242  O   THR A  17      -6.393   4.307  -2.951  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.449   7.513  -2.667  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.201   7.839  -4.041  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.235   6.797  -2.089  1.00  0.47           C
ATOM      0  H   THR A  17      -6.184   6.171  -0.587  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.572   7.255  -2.890  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.612   8.424  -2.092  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -5.821   8.542  -4.327  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.356   7.434  -2.188  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.409   6.579  -1.035  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.071   5.865  -2.630  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.756   5.619  -4.737  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.628   4.544  -5.706  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.450   4.825  -6.627  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.279   4.171  -7.660  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.918   4.410  -6.523  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.202   5.612  -7.411  1.00  1.70           C
ATOM    259  CD  LYS A  18      -9.522   5.471  -8.146  1.00  2.32           C
ATOM    260  CE  LYS A  18     -10.701   5.556  -7.195  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -11.997   5.521  -7.921  1.00  3.98           N
ATOM      0  H   LYS A  18      -6.971   6.528  -5.147  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.454   3.606  -5.178  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.854   3.517  -7.144  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.757   4.265  -5.842  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.219   6.517  -6.803  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -7.394   5.729  -8.134  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -9.605   6.253  -8.900  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.546   4.517  -8.672  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -10.658   4.728  -6.487  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -10.634   6.476  -6.614  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -12.779   5.581  -7.238  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -12.049   6.325  -8.578  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -12.072   4.632  -8.455  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.644   5.809  -6.255  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.493   6.187  -7.054  1.00  0.69           C
ATOM    277  C   THR A  19      -2.243   6.250  -6.184  1.00  0.60           C
ATOM    278  O   THR A  19      -2.308   6.598  -5.005  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.724   7.547  -7.757  1.00  0.84           C
ATOM    280  OG1 THR A  19      -2.628   7.858  -8.630  1.00  1.60           O
ATOM    281  CG2 THR A  19      -3.890   8.668  -6.744  1.00  1.50           C
ATOM      0  H   THR A  19      -4.768   6.359  -5.405  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.352   5.427  -7.823  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.640   7.461  -8.341  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -2.792   8.720  -9.067  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -4.051   9.611  -7.267  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -4.748   8.457  -6.105  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -2.991   8.741  -6.132  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.111   5.891  -6.765  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.150   5.950  -6.052  1.00  0.62           C
ATOM    291  C   CYS A  20       0.712   7.362  -6.100  1.00  0.52           C
ATOM    292  O   CYS A  20       0.853   7.940  -7.179  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.152   4.964  -6.653  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.631   3.225  -6.533  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.041   5.557  -7.726  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.026   5.674  -5.012  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.310   5.215  -7.702  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.111   5.082  -6.149  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.997   7.944  -4.925  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.619   9.264  -4.829  1.00  0.56           C
ATOM    301  C   PRO A  21       2.952   9.298  -5.569  1.00  0.71           C
ATOM    302  O   PRO A  21       3.916   8.637  -5.166  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.824   9.465  -3.325  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.854   8.537  -2.674  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.716   7.364  -3.601  1.00  0.49           C
ATOM      0  HA  PRO A  21       1.010  10.047  -5.280  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.848   9.234  -3.032  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       1.635  10.499  -3.036  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.214   8.220  -1.695  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.108   9.025  -2.517  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.420   6.570  -3.352  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.283   6.931  -3.555  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.001  10.076  -6.643  1.00  0.99           N
ATOM    314  CA  SER A  22       4.142  10.090  -7.553  1.00  1.26           C
ATOM    315  C   SER A  22       5.323  10.877  -6.978  1.00  1.32           C
ATOM    316  O   SER A  22       5.967  11.658  -7.684  1.00  1.83           O
ATOM    317  CB  SER A  22       3.717  10.699  -8.891  1.00  1.68           C
ATOM    318  OG  SER A  22       2.471  10.170  -9.327  1.00  2.07           O
ATOM      0  H   SER A  22       2.252  10.715  -6.909  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.471   9.061  -7.695  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.640  11.782  -8.792  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.481  10.501  -9.642  1.00  1.68           H   new
ATOM      0  HG  SER A  22       2.224  10.578 -10.183  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.606  10.671  -5.702  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.714  11.350  -5.050  1.00  1.20           C
ATOM    326  C   ASN A  23       7.617  10.349  -4.334  1.00  1.07           C
ATOM    327  O   ASN A  23       8.428  10.722  -3.487  1.00  1.27           O
ATOM    328  CB  ASN A  23       6.202  12.428  -4.079  1.00  1.39           C
ATOM    329  CG  ASN A  23       5.302  11.883  -2.979  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.096  11.731  -3.164  1.00  1.83           O
ATOM    331  ND2 ASN A  23       5.875  11.606  -1.818  1.00  1.61           N
ATOM      0  H   ASN A  23       5.083  10.038  -5.097  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.307  11.847  -5.818  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       7.056  12.929  -3.623  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.654  13.183  -4.644  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       5.313  11.255  -1.043  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       6.879  11.744  -1.699  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.484   9.069  -4.684  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.371   8.034  -4.148  1.00  1.02           C
ATOM    340  C   ARG A  24       9.074   7.280  -5.269  1.00  1.13           C
ATOM    341  O   ARG A  24      10.270   6.998  -5.187  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.620   7.031  -3.263  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.481   7.457  -1.811  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.334   8.430  -1.606  1.00  1.41           C
ATOM    345  NE  ARG A  24       6.357   9.033  -0.270  1.00  2.03           N
ATOM    346  CZ  ARG A  24       5.743   8.526   0.798  1.00  2.71           C
ATOM    347  NH1 ARG A  24       5.163   7.335   0.734  1.00  3.19           N
ATOM    348  NH2 ARG A  24       5.737   9.202   1.939  1.00  3.39           N
ATOM      0  H   ARG A  24       6.776   8.725  -5.332  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.110   8.550  -3.535  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.625   6.871  -3.679  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.138   6.073  -3.300  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.323   6.576  -1.189  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       8.411   7.919  -1.479  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.386   9.216  -2.359  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       5.387   7.910  -1.753  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       6.879   9.901  -0.150  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       5.186   6.803  -0.136  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       4.694   6.951   1.555  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       6.202  10.108   1.997  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       5.268   8.816   2.758  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.328   6.962  -6.318  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.882   6.201  -7.416  1.00  1.10           C
ATOM    364  C   GLY A  25       8.366   4.776  -7.438  1.00  0.81           C
ATOM    365  O   GLY A  25       9.078   3.863  -7.851  1.00  0.78           O
ATOM      0  H   GLY A  25       7.347   7.219  -6.427  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.634   6.691  -8.358  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.969   6.192  -7.338  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.123   4.590  -6.993  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.504   3.266  -6.961  1.00  0.50           C
ATOM    371  C   TYR A  26       6.521   2.633  -8.349  1.00  0.49           C
ATOM    372  O   TYR A  26       6.144   3.266  -9.338  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.060   3.360  -6.463  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.913   3.977  -5.091  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.407   3.330  -3.963  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.291   5.209  -4.922  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.283   3.893  -2.709  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.164   5.775  -3.668  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.619   5.110  -2.569  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.546   5.672  -1.315  1.00  3.45           O
ATOM      0  H   TYR A  26       6.525   5.341  -6.649  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.079   2.642  -6.276  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.480   3.946  -7.176  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.628   2.359  -6.447  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.895   2.373  -4.070  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.901   5.731  -5.783  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.697   3.395  -1.845  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.704   6.746  -3.559  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       4.780   5.000  -0.641  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.962   1.386  -8.415  1.00  0.41           N
ATOM    391  CA  THR A  27       7.113   0.688  -9.681  1.00  0.53           C
ATOM    392  C   THR A  27       5.800   0.047 -10.109  1.00  0.45           C
ATOM    393  O   THR A  27       5.426   0.089 -11.280  1.00  0.67           O
ATOM    394  CB  THR A  27       8.199  -0.398  -9.580  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.382   0.163  -8.999  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.528  -0.973 -10.949  1.00  1.33           C
ATOM      0  H   THR A  27       7.223   0.833  -7.599  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.410   1.424 -10.428  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.821  -1.205  -8.952  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.073  -0.528  -8.933  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.298  -1.738 -10.847  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.632  -1.416 -11.382  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.891  -0.178 -11.600  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.091  -0.527  -9.152  1.00  0.29           N
ATOM    405  CA  GLY A  28       3.846  -1.189  -9.455  1.00  0.31           C
ATOM    406  C   GLY A  28       2.812  -0.946  -8.385  1.00  0.29           C
ATOM    407  O   GLY A  28       3.146  -0.497  -7.283  1.00  0.35           O
ATOM      0  H   GLY A  28       5.358  -0.545  -8.168  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.468  -0.833 -10.414  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.019  -2.260  -9.558  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.562  -1.244  -8.691  1.00  0.31           N
ATOM    412  CA  SER A  29       0.494  -1.037  -7.737  1.00  0.34           C
ATOM    413  C   SER A  29      -0.515  -2.178  -7.791  1.00  0.37           C
ATOM    414  O   SER A  29      -0.929  -2.616  -8.867  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.195   0.306  -7.990  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.706   0.394  -9.310  1.00  0.96           O
ATOM      0  H   SER A  29       1.265  -1.628  -9.588  1.00  0.31           H   new
ATOM      0  HA  SER A  29       0.929  -1.020  -6.738  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.008   0.438  -7.276  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.514   1.116  -7.820  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -1.140   1.263  -9.435  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.895  -2.658  -6.622  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.873  -3.724  -6.503  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.194  -3.149  -6.011  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.285  -2.679  -4.873  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.372  -4.804  -5.536  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.275  -5.476  -5.945  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.535  -2.321  -5.729  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -2.022  -4.182  -7.481  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.341  -4.387  -4.529  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -2.091  -5.623  -5.520  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.198  -3.140  -6.882  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.520  -2.691  -6.488  1.00  0.40           C
ATOM    434  C   GLY A  31      -6.028  -3.469  -5.293  1.00  0.40           C
ATOM    435  O   GLY A  31      -6.271  -4.670  -5.388  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.119  -3.436  -7.855  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.489  -1.628  -6.247  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.211  -2.809  -7.323  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.179  -2.793  -4.168  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.499  -3.463  -2.921  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.898  -3.077  -2.466  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.473  -2.105  -2.960  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.467  -3.084  -1.857  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.174  -4.178  -0.851  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.205  -5.142  -1.096  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.885  -4.252   0.341  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -3.952  -6.148  -0.184  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -5.634  -5.253   1.259  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -4.606  -6.175   1.000  1.00  1.34           C
ATOM    450  OH  TYR A  32      -4.422  -7.201   1.900  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.085  -1.780  -4.093  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.471  -4.542  -3.073  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.537  -2.805  -2.353  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.821  -2.202  -1.323  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.640  -5.105  -2.015  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -6.646  -3.515   0.553  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -3.229  -6.916  -0.417  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -6.220  -5.326   2.163  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -4.977  -7.044   2.693  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.438  -3.843  -1.533  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.771  -3.600  -1.007  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.876  -2.191  -0.438  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.327  -1.908   0.627  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.094  -4.625   0.081  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.907  -6.047  -0.367  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -10.784  -6.617  -1.276  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.861  -6.811   0.121  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -10.624  -7.925  -1.688  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.695  -8.121  -0.287  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -9.546  -8.673  -1.197  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.967  -4.648  -1.120  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.489  -3.699  -1.822  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.459  -4.438   0.947  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.125  -4.487   0.406  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.603  -6.031  -1.667  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.168  -6.379   0.828  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -11.323  -8.367  -2.382  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.886  -8.711   0.118  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -9.390  -9.685  -1.539  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.548  -1.310  -1.181  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.795   0.071  -0.755  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.491   0.858  -0.640  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.386   1.796   0.157  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.545   0.101   0.583  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.870  -0.666   0.612  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.479  -0.615   2.003  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.840  -0.107  -0.419  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.937  -1.533  -2.097  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.414   0.544  -1.518  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.892  -0.306   1.355  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.741   1.140   0.847  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -12.670  -1.707   0.359  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.420  -1.164   2.008  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.791  -1.066   2.718  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.663   0.423   2.282  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.774  -0.667  -0.381  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -14.037   0.943  -0.202  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.404  -0.196  -1.414  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.501   0.474  -1.436  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.231   1.167  -1.415  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.292   0.676  -2.495  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.699  -0.068  -3.388  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.556  -0.304  -2.094  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.401   2.236  -1.542  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.762   1.033  -0.440  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.036   1.077  -2.418  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.054   0.658  -3.403  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.726   0.300  -2.737  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.232   1.017  -1.866  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.848   1.744  -4.487  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.854   1.274  -5.549  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.384   3.057  -3.864  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.757   2.206  -6.738  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.673   1.689  -1.688  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.440  -0.236  -3.893  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.809   1.917  -4.971  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.868   1.174  -5.094  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.147   0.283  -5.897  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.247   3.803  -4.647  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.134   3.409  -3.155  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.439   2.899  -3.344  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.034   1.811  -7.452  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.733   2.287  -7.217  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.434   3.192  -6.402  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.179  -0.838  -3.126  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.909  -1.305  -2.601  1.00  0.27           C
ATOM    527  C   CYS A  37       0.220  -0.880  -3.531  1.00  0.24           C
ATOM    528  O   CYS A  37       0.439  -1.490  -4.574  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.942  -2.827  -2.455  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.562  -3.548  -1.738  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.602  -1.463  -3.813  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.735  -0.864  -1.620  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.794  -3.101  -1.832  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -1.110  -3.270  -3.437  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.917   0.177  -3.164  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.965   0.727  -4.012  1.00  0.25           C
ATOM    537  C   CYS A  38       3.338   0.234  -3.570  1.00  0.20           C
ATOM    538  O   CYS A  38       3.747   0.458  -2.431  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.915   2.253  -3.971  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.335   2.949  -4.544  1.00  1.14           S
ATOM      0  H   CYS A  38       0.779   0.675  -2.285  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.797   0.388  -5.034  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.100   2.586  -2.950  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.722   2.651  -4.587  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.043  -0.432  -4.475  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.351  -0.983  -4.161  1.00  0.21           C
ATOM    547  C   TYR A  39       6.390  -0.545  -5.193  1.00  0.25           C
ATOM    548  O   TYR A  39       6.051  -0.242  -6.340  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.283  -2.516  -4.086  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.897  -3.195  -5.389  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.857  -3.515  -6.343  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.570  -3.498  -5.671  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.501  -4.122  -7.534  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.210  -4.102  -6.858  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.202  -4.468  -7.761  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.820  -5.004  -8.971  1.00  0.57           O
ATOM      0  H   TYR A  39       3.730  -0.603  -5.431  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.656  -0.599  -3.188  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.254  -2.895  -3.768  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.563  -2.798  -3.317  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.895  -3.286  -6.151  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.806  -3.256  -4.947  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.252  -4.322  -8.284  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.170  -4.288  -7.083  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.858  -5.192  -8.957  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.671  -0.488  -4.797  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.103  -0.788  -3.434  1.00  0.27           C
ATOM    568  C   PRO A  40       8.033   0.430  -2.518  1.00  0.31           C
ATOM    569  O   PRO A  40       8.102   1.572  -2.975  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.550  -1.233  -3.628  1.00  0.45           C
ATOM    571  CG  PRO A  40      10.026  -0.526  -4.858  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.808  -0.127  -5.657  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.469  -1.533  -2.953  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.160  -0.970  -2.764  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.615  -2.314  -3.747  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.613   0.353  -4.591  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.674  -1.176  -5.446  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.813   0.939  -5.882  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.768  -0.654  -6.610  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.880   0.179  -1.229  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.859   1.255  -0.254  1.00  0.50           C
ATOM    582  C   VAL A  41       9.287   1.620   0.160  1.00  0.62           C
ATOM    583  O   VAL A  41       9.907   0.940   0.980  1.00  0.74           O
ATOM    584  CB  VAL A  41       6.994   0.897   0.984  1.00  0.68           C
ATOM    585  CG1 VAL A  41       7.445  -0.403   1.639  1.00  1.31           C
ATOM    586  CG2 VAL A  41       7.000   2.038   1.992  1.00  1.13           C
ATOM      0  H   VAL A  41       7.769  -0.755  -0.835  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.397   2.123  -0.724  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       5.973   0.746   0.634  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       6.812  -0.615   2.501  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       7.365  -1.219   0.921  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       8.481  -0.306   1.964  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.388   1.767   2.852  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       8.022   2.229   2.320  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.594   2.937   1.527  1.00  1.13           H   new