USER  MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=16
USER  MOD reduce.3.24.130724 removed 291 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  17 THR OG1 :   rot -126:sc=    1.69
USER  MOD Set 1.2: A  19 THR OG1 :   rot   14:sc= 0.00444
USER  MOD Single : A   1 GLY N   :NH3+   -127:sc=  0.0518   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  180:sc=   0.015
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   8 LYS NZ  :NH3+   -166:sc=   -0.02   (180deg=-0.231)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot  180:sc=   0.731
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 ASN     :FLIP  amide:sc=   -2.05! C(o=-3.5!,f=-2!)
USER  MOD Single : A  26 TYR OH  :   rot  -98:sc=  -0.134
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      1  N   GLY A   1       0.926  -1.057  11.129  1.00  2.96           N
ATOM      2  CA  GLY A   1       0.544  -0.030  10.134  1.00  2.38           C
ATOM      3  C   GLY A   1       0.097  -0.643   8.823  1.00  1.73           C
ATOM      4  O   GLY A   1      -0.311  -1.802   8.781  1.00  2.00           O
ATOM      0  H1  GLY A   1       0.404  -0.895  12.014  1.00  2.96           H   new
ATOM      0  H2  GLY A   1       0.695  -2.001  10.759  1.00  2.96           H   new
ATOM      0  H3  GLY A   1       1.948  -0.998  11.314  1.00  2.96           H   new
ATOM      0  HA2 GLY A   1      -0.260   0.584  10.539  1.00  2.38           H   new
ATOM      0  HA3 GLY A   1       1.391   0.632   9.954  1.00  2.38           H   new
ATOM     10  N   THR A   2       0.197   0.125   7.749  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.290  -0.301   6.445  1.00  0.62           C
ATOM     12  C   THR A   2       0.793  -1.021   5.640  1.00  0.47           C
ATOM     13  O   THR A   2       1.015  -0.723   4.463  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.823   0.905   5.648  1.00  0.67           C
ATOM     15  OG1 THR A   2       0.120   1.988   5.703  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.165   1.365   6.198  1.00  1.00           C
ATOM      0  H   THR A   2       0.615   1.055   7.755  1.00  1.13           H   new
ATOM      0  HA  THR A   2      -1.103  -1.006   6.617  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.959   0.596   4.612  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -0.226   2.749   5.192  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.522   2.217   5.620  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -2.886   0.551   6.127  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.050   1.657   7.242  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.463  -1.971   6.279  1.00  0.58           N
ATOM     25  CA  THR A   3       2.486  -2.762   5.613  1.00  0.55           C
ATOM     26  C   THR A   3       1.843  -3.693   4.592  1.00  0.43           C
ATOM     27  O   THR A   3       0.866  -4.380   4.899  1.00  0.53           O
ATOM     28  CB  THR A   3       3.288  -3.598   6.630  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.679  -2.778   7.742  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.529  -4.200   5.986  1.00  0.98           C
ATOM      0  H   THR A   3       1.315  -2.212   7.259  1.00  0.58           H   new
ATOM      0  HA  THR A   3       3.167  -2.076   5.109  1.00  0.55           H   new
ATOM      0  HB  THR A   3       2.648  -4.408   6.978  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.186  -3.317   8.384  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.076  -4.784   6.726  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.233  -4.846   5.160  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       5.168  -3.401   5.611  1.00  0.98           H   new
ATOM     38  N   CYS A   4       2.373  -3.709   3.379  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.798  -4.523   2.322  1.00  0.45           C
ATOM     40  C   CYS A   4       2.888  -5.267   1.553  1.00  0.38           C
ATOM     41  O   CYS A   4       4.037  -4.833   1.512  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.992  -3.628   1.381  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.182  -4.504   0.008  1.00  1.01           S
ATOM      0  H   CYS A   4       3.195  -3.171   3.104  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.139  -5.269   2.765  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4       0.231  -3.106   1.961  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4       1.655  -2.867   0.968  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.529  -6.404   0.973  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.451  -7.178   0.154  1.00  0.50           C
ATOM     50  C   TYR A   5       2.760  -7.664  -1.109  1.00  0.61           C
ATOM     51  O   TYR A   5       1.703  -8.293  -1.051  1.00  0.85           O
ATOM     52  CB  TYR A   5       3.995  -8.391   0.918  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.004  -8.059   1.995  1.00  0.56           C
ATOM     54  CD1 TYR A   5       4.598  -7.802   3.298  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.364  -8.017   1.708  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.519  -7.507   4.285  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.290  -7.729   2.691  1.00  0.66           C
ATOM     58  CZ  TYR A   5       6.864  -7.473   3.975  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.783  -7.186   4.959  1.00  0.81           O
ATOM      0  H   TYR A   5       1.598  -6.813   1.056  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.282  -6.522  -0.106  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.159  -8.921   1.374  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.456  -9.075   0.206  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.547  -7.833   3.544  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       6.701  -8.213   0.701  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.189  -7.304   5.293  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.343  -7.705   2.454  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       8.686  -7.202   4.578  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.344  -7.350  -2.249  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.896  -7.917  -3.504  1.00  0.62           C
ATOM     71  C   CYS A   6       3.864  -9.020  -3.899  1.00  0.70           C
ATOM     72  O   CYS A   6       4.867  -8.782  -4.583  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.792  -6.841  -4.588  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.485  -5.602  -4.268  1.00  1.20           S
ATOM      0  H   CYS A   6       4.130  -6.705  -2.331  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.897  -8.336  -3.389  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.751  -6.331  -4.675  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.599  -7.321  -5.547  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.593 -10.219  -3.394  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.459 -11.348  -3.638  1.00  0.97           C
ATOM     81  C   GLY A   7       5.757 -11.229  -2.877  1.00  0.93           C
ATOM     82  O   GLY A   7       5.805 -11.465  -1.669  1.00  1.01           O
ATOM      0  H   GLY A   7       2.779 -10.426  -2.815  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.950 -12.267  -3.348  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.668 -11.423  -4.705  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.807 -10.842  -3.577  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.101 -10.660  -2.959  1.00  0.94           C
ATOM     88  C   LYS A   8       8.408  -9.179  -2.780  1.00  0.79           C
ATOM     89  O   LYS A   8       9.354  -8.818  -2.081  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.198 -11.321  -3.804  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.291 -10.769  -5.217  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.490 -11.330  -5.962  1.00  2.18           C
ATOM     93  CE  LYS A   8      10.533 -10.839  -7.403  1.00  3.07           C
ATOM     94  NZ  LYS A   8       9.375 -11.333  -8.195  1.00  3.65           N
ATOM      0  H   LYS A   8       6.786 -10.648  -4.578  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       8.077 -11.134  -1.978  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8      10.159 -11.188  -3.306  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       9.011 -12.394  -3.853  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.379 -11.010  -5.762  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.362  -9.682  -5.179  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.407 -11.038  -5.450  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.451 -12.419  -5.949  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      10.541  -9.749  -7.414  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      11.460 -11.170  -7.871  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8       9.557 -11.182  -9.208  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8       9.239 -12.348  -8.015  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8       8.518 -10.814  -7.917  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.609  -8.321  -3.398  1.00  0.66           N
ATOM    109  CA  THR A   9       7.882  -6.895  -3.369  1.00  0.55           C
ATOM    110  C   THR A   9       7.087  -6.208  -2.260  1.00  0.42           C
ATOM    111  O   THR A   9       5.855  -6.226  -2.259  1.00  0.42           O
ATOM    112  CB  THR A   9       7.564  -6.239  -4.723  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.098  -7.041  -5.789  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.167  -4.848  -4.796  1.00  0.50           C
ATOM      0  H   THR A   9       6.774  -8.586  -3.921  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.946  -6.772  -3.166  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.481  -6.163  -4.823  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       7.892  -6.620  -6.650  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       7.932  -4.400  -5.761  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.754  -4.230  -3.998  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.249  -4.914  -4.681  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.802  -5.619  -1.310  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.173  -4.947  -0.183  1.00  0.32           C
ATOM    124  C   ILE A  10       6.682  -3.551  -0.575  1.00  0.24           C
ATOM    125  O   ILE A  10       7.419  -2.753  -1.170  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.138  -4.855   1.027  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.471  -4.106   2.188  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.450  -4.190   0.629  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.329  -4.017   3.436  1.00  1.06           C
ATOM      0  H   ILE A  10       8.822  -5.594  -1.299  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.311  -5.545   0.111  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.367  -5.867   1.360  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.219  -3.098   1.860  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.534  -4.604   2.438  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10      10.109  -4.138   1.496  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.930  -4.773  -0.157  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.251  -3.183   0.263  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.789  -3.474   4.211  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.560  -5.021   3.791  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.256  -3.492   3.204  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.433  -3.271  -0.241  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.838  -1.998  -0.563  1.00  0.32           C
ATOM    143  C   GLY A  11       4.030  -1.444   0.590  1.00  0.28           C
ATOM    144  O   GLY A  11       4.028  -2.006   1.692  1.00  0.36           O
ATOM      0  H   GLY A  11       4.815  -3.914   0.254  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.621  -1.289  -0.831  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       4.195  -2.108  -1.436  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.338  -0.348   0.346  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.550   0.304   1.377  1.00  0.25           C
ATOM    150  C   ILE A  12       1.088   0.408   0.930  1.00  0.22           C
ATOM    151  O   ILE A  12       0.795   0.721  -0.228  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.156   1.693   1.724  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.437   2.362   2.914  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.157   2.607   0.506  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.204   3.171   2.550  1.00  0.29           C
ATOM      0  H   ILE A  12       3.305   0.113  -0.563  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.575  -0.295   2.287  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.189   1.523   2.028  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.148   1.588   3.625  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.144   3.016   3.424  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.586   3.572   0.776  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.752   2.155  -0.288  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.134   2.749   0.157  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.771   3.600   3.453  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.483   3.972   1.866  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.472   2.522   2.070  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.180   0.101   1.847  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.246   0.111   1.557  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.822   1.511   1.753  1.00  0.21           C
ATOM    170  O   TYR A  13      -1.983   1.976   2.882  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.964  -0.907   2.457  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.457  -1.051   2.213  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.063  -0.546   1.066  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.259  -1.708   3.139  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.421  -0.688   0.855  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.617  -1.859   2.930  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.192  -1.348   1.788  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.545  -1.504   1.576  1.00  0.80           O
ATOM      0  H   TYR A  13       0.410  -0.160   2.806  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.400  -0.172   0.516  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.495  -1.881   2.321  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.809  -0.621   3.497  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.462  -0.035   0.329  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.813  -2.108   4.038  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.877  -0.284  -0.037  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.224  -2.375   3.659  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.940  -1.992   2.328  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.112   2.180   0.649  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.743   3.486   0.687  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.254   3.331   0.828  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.949   2.976  -0.127  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.411   4.284  -0.576  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.978   4.718  -0.668  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.044   4.050  -1.273  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.412   5.928  -0.147  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.212   4.766  -1.156  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.958   5.921  -0.469  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.928   7.015   0.566  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.816   6.956  -0.110  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.074   8.042   0.922  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.285   8.006   0.583  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.918   1.835  -0.291  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.358   4.031   1.549  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.653   3.678  -1.449  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.050   5.166  -0.614  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.050   3.097  -1.772  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.121   4.482  -1.522  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.974   7.051   0.833  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.864   6.930  -0.370  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.461   8.887   1.471  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.925   8.825   0.876  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.745   3.586   2.025  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.163   3.476   2.321  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.817   4.844   2.157  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.656   5.723   3.005  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.349   2.943   3.750  1.00  0.46           C
ATOM    217  CG  PHE A  15      -7.778   2.702   4.154  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.377   1.469   3.947  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.516   3.704   4.765  1.00  0.62           C
ATOM    220  CE1 PHE A  15      -9.682   1.244   4.339  1.00  0.75           C
ATOM    221  CE2 PHE A  15      -9.823   3.485   5.154  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.407   2.252   4.942  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.175   3.875   2.820  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.638   2.778   1.631  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -5.796   2.009   3.849  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -5.904   3.652   4.448  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -7.817   0.676   3.474  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.063   4.669   4.939  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.136   0.278   4.174  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.387   4.277   5.623  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.428   2.077   5.247  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.529   5.030   1.057  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.123   6.325   0.776  1.00  0.60           C
ATOM    234  C   GLY A  16      -7.882   6.769  -0.654  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.407   7.795  -1.090  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.707   4.312   0.354  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.196   6.279   0.964  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -7.711   7.068   1.459  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.072   6.005  -1.375  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.817   6.262  -2.784  1.00  0.47           C
ATOM    241  C   THR A  17      -6.679   4.943  -3.537  1.00  0.50           C
ATOM    242  O   THR A  17      -6.311   3.927  -2.952  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.545   7.122  -2.993  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.235   7.220  -4.390  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.350   6.546  -2.244  1.00  0.47           C
ATOM      0  H   THR A  17      -6.577   5.195  -1.002  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.666   6.823  -3.176  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.751   8.115  -2.594  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.309   6.936  -4.540  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.476   7.175  -2.414  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.571   6.512  -1.177  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.146   5.538  -2.604  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -7.003   4.959  -4.821  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.858   3.781  -5.661  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.770   4.024  -6.697  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.629   3.276  -7.665  1.00  0.71           O
ATOM    257  CB  LYS A  18      -8.177   3.446  -6.354  1.00  0.91           C
ATOM    258  CG  LYS A  18      -9.305   3.106  -5.394  1.00  1.70           C
ATOM    259  CD  LYS A  18     -10.595   2.809  -6.142  1.00  2.32           C
ATOM    260  CE  LYS A  18     -10.474   1.560  -7.001  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -11.682   1.342  -7.839  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.370   5.779  -5.305  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.578   2.935  -5.033  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -8.479   4.294  -6.969  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.019   2.604  -7.027  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -9.025   2.242  -4.791  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -9.464   3.937  -4.707  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18     -11.408   2.682  -5.428  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18     -10.854   3.660  -6.772  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -9.598   1.645  -7.643  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -10.316   0.693  -6.360  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -11.558   0.481  -8.409  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -12.515   1.235  -7.226  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -11.819   2.158  -8.470  1.00  3.98           H   new
ATOM    275  N   THR A  19      -5.016   5.090  -6.483  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.913   5.451  -7.354  1.00  0.69           C
ATOM    277  C   THR A  19      -2.688   5.814  -6.523  1.00  0.60           C
ATOM    278  O   THR A  19      -2.821   6.349  -5.420  1.00  0.89           O
ATOM    279  CB  THR A  19      -4.289   6.643  -8.258  1.00  0.84           C
ATOM    280  OG1 THR A  19      -4.957   7.654  -7.489  1.00  1.60           O
ATOM    281  CG2 THR A  19      -5.185   6.198  -9.404  1.00  1.50           C
ATOM      0  H   THR A  19      -5.153   5.729  -5.700  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.687   4.591  -7.985  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -3.369   7.052  -8.676  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -4.835   7.472  -6.534  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -5.435   7.058 -10.026  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -4.663   5.454 -10.006  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -6.100   5.762  -9.002  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.506   5.504  -7.038  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.267   5.819  -6.346  1.00  0.62           C
ATOM    291  C   CYS A  20       0.094   7.282  -6.547  1.00  0.52           C
ATOM    292  O   CYS A  20       0.329   7.722  -7.676  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.873   4.928  -6.847  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.600   3.148  -6.583  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.381   5.034  -7.934  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.414   5.633  -5.282  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.018   5.108  -7.912  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.795   5.221  -6.346  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.124   8.061  -5.457  1.00  0.45           N
ATOM    300  CA  PRO A  21       0.465   9.479  -5.516  1.00  0.56           C
ATOM    301  C   PRO A  21       1.907   9.694  -5.964  1.00  0.71           C
ATOM    302  O   PRO A  21       2.842   9.122  -5.393  1.00  0.82           O
ATOM    303  CB  PRO A  21       0.258   9.969  -4.078  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.312   8.744  -3.227  1.00  0.51           C
ATOM    305  CD  PRO A  21      -0.173   7.611  -4.086  1.00  0.49           C
ATOM      0  HA  PRO A  21      -0.145  10.019  -6.240  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       1.032  10.681  -3.791  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21      -0.699  10.479  -3.971  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.327   8.559  -2.876  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.315   8.857  -2.343  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.342   6.680  -3.850  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -1.239   7.430  -3.946  1.00  0.49           H   new
ATOM    313  N   SER A  22       2.084  10.502  -6.995  1.00  0.99           N
ATOM    314  CA  SER A  22       3.407  10.784  -7.530  1.00  1.26           C
ATOM    315  C   SER A  22       4.152  11.757  -6.626  1.00  1.32           C
ATOM    316  O   SER A  22       3.788  12.930  -6.528  1.00  1.83           O
ATOM    317  CB  SER A  22       3.289  11.352  -8.944  1.00  1.68           C
ATOM    318  OG  SER A  22       2.552  10.472  -9.778  1.00  2.07           O
ATOM      0  H   SER A  22       1.324  10.977  -7.482  1.00  0.99           H   new
ATOM      0  HA  SER A  22       3.974   9.854  -7.571  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       2.799  12.325  -8.911  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.283  11.510  -9.362  1.00  1.68           H   new
ATOM      0  HG  SER A  22       2.486  10.853 -10.678  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.185  11.260  -5.952  1.00  1.04           N
ATOM    325  CA  ASN A  23       5.974  12.088  -5.041  1.00  1.20           C
ATOM    326  C   ASN A  23       7.242  11.375  -4.576  1.00  1.07           C
ATOM    327  O   ASN A  23       8.193  12.019  -4.138  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.154  12.527  -3.811  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.784  11.389  -2.866  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.342  10.264  -3.406  1.00  1.83           O   flip
ATOM    331  ND2 ASN A  23       4.854  11.537  -1.646  1.00  1.61           N   flip
ATOM      0  H   ASN A  23       5.496  10.291  -6.018  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       6.259  12.974  -5.608  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.723  13.274  -3.257  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       4.240  13.012  -4.153  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       5.199  12.415  -1.258  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       4.567  10.782  -1.023  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.272  10.053  -4.685  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.384   9.284  -4.139  1.00  1.02           C
ATOM    340  C   ARG A  24       9.070   8.446  -5.216  1.00  1.13           C
ATOM    341  O   ARG A  24      10.202   8.733  -5.606  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.900   8.403  -2.983  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.350   9.208  -1.815  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.866   8.307  -0.697  1.00  1.41           C
ATOM    345  NE  ARG A  24       6.445   9.061   0.485  1.00  2.03           N
ATOM    346  CZ  ARG A  24       6.558   8.596   1.731  1.00  2.71           C
ATOM    347  NH1 ARG A  24       7.153   7.433   1.958  1.00  3.19           N
ATOM    348  NH2 ARG A  24       6.113   9.315   2.752  1.00  3.39           N
ATOM      0  H   ARG A  24       6.549   9.496  -5.140  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.125   9.986  -3.756  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       7.127   7.727  -3.347  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.726   7.784  -2.634  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       8.124   9.876  -1.436  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       6.528   9.835  -2.160  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.032   7.704  -1.056  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       7.663   7.617  -0.420  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       6.045   9.989   0.349  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       7.526   6.890   1.179  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       7.237   7.081   2.912  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       5.683  10.225   2.586  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       6.200   8.958   3.704  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.384   7.424  -5.705  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.949   6.602  -6.755  1.00  1.10           C
ATOM    364  C   GLY A  25       8.326   5.224  -6.826  1.00  0.81           C
ATOM    365  O   GLY A  25       9.007   4.244  -7.114  1.00  0.78           O
ATOM      0  H   GLY A  25       7.451   7.150  -5.396  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.817   7.104  -7.713  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.022   6.502  -6.593  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.028   5.147  -6.569  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.317   3.880  -6.669  1.00  0.50           C
ATOM    371  C   TYR A  26       6.332   3.382  -8.106  1.00  0.49           C
ATOM    372  O   TYR A  26       6.025   4.127  -9.035  1.00  0.71           O
ATOM    373  CB  TYR A  26       4.879   4.031  -6.179  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.783   4.443  -4.730  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.131   3.559  -3.715  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.347   5.713  -4.376  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.046   3.930  -2.390  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.261   6.091  -3.050  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.612   5.196  -2.063  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.526   5.565  -0.743  1.00  3.45           O
ATOM      0  H   TYR A  26       6.449   5.940  -6.292  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       6.822   3.150  -6.037  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.368   4.771  -6.795  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.354   3.086  -6.316  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.473   2.566  -3.968  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       4.071   6.415  -5.149  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.318   3.232  -1.612  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.921   7.082  -2.789  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       3.601   5.466  -0.435  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.701   2.125  -8.285  1.00  0.41           N
ATOM    391  CA  THR A  27       6.821   1.551  -9.616  1.00  0.53           C
ATOM    392  C   THR A  27       5.603   0.695  -9.948  1.00  0.45           C
ATOM    393  O   THR A  27       5.088   0.734 -11.067  1.00  0.67           O
ATOM    394  CB  THR A  27       8.105   0.700  -9.740  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.254   1.491  -9.400  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.272   0.155 -11.150  1.00  1.33           C
ATOM      0  H   THR A  27       6.923   1.481  -7.525  1.00  0.41           H   new
ATOM      0  HA  THR A  27       6.879   2.376 -10.326  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.016  -0.140  -9.051  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.063   0.944  -9.480  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.184  -0.439 -11.205  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.416  -0.471 -11.402  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.336   0.984 -11.855  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.132  -0.061  -8.967  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.016  -0.950  -9.195  1.00  0.31           C
ATOM    406  C   GLY A  28       2.876  -0.696  -8.233  1.00  0.29           C
ATOM    407  O   GLY A  28       3.038   0.037  -7.253  1.00  0.35           O
ATOM      0  H   GLY A  28       5.504  -0.073  -8.017  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.660  -0.828 -10.218  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.350  -1.983  -9.095  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.736  -1.315  -8.492  1.00  0.31           N
ATOM    412  CA  SER A  29       0.557  -1.096  -7.678  1.00  0.34           C
ATOM    413  C   SER A  29      -0.391  -2.293  -7.716  1.00  0.37           C
ATOM    414  O   SER A  29      -0.696  -2.836  -8.778  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.163   0.164  -8.145  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.316   0.181  -9.556  1.00  0.96           O
ATOM      0  H   SER A  29       1.604  -1.973  -9.260  1.00  0.31           H   new
ATOM      0  HA  SER A  29       0.880  -0.971  -6.645  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.143   0.222  -7.671  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.397   1.044  -7.828  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.782   1.000  -9.825  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.846  -2.693  -6.543  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.784  -3.794  -6.405  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.108  -3.275  -5.847  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.138  -2.691  -4.765  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.211  -4.865  -5.467  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.401  -5.551  -5.986  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.576  -2.264  -5.658  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.953  -4.239  -7.386  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.104  -4.436  -4.471  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.929  -5.681  -5.388  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.196  -3.466  -6.590  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.501  -3.024  -6.124  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.902  -3.712  -4.833  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.766  -4.931  -4.712  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.198  -3.918  -7.504  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.486  -1.945  -5.971  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.248  -3.227  -6.891  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.387  -2.940  -3.867  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.722  -3.482  -2.560  1.00  0.42           C
ATOM    441  C   TYR A  32      -8.130  -3.058  -2.139  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.693  -2.109  -2.688  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.696  -3.023  -1.525  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.137  -4.145  -0.683  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -5.815  -4.606   0.438  1.00  0.97           C
ATOM    446  CD2 TYR A  32      -3.926  -4.741  -1.009  1.00  1.00           C
ATOM    447  CE1 TYR A  32      -5.302  -5.630   1.210  1.00  1.30           C
ATOM    448  CE2 TYR A  32      -3.406  -5.767  -0.242  1.00  1.29           C
ATOM    449  CZ  TYR A  32      -4.098  -6.207   0.866  1.00  1.34           C
ATOM    450  OH  TYR A  32      -3.582  -7.226   1.633  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.556  -1.939  -3.966  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.701  -4.570  -2.622  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.875  -2.522  -2.038  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -6.159  -2.285  -0.870  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -6.759  -4.157   0.710  1.00  0.97           H   new
ATOM      0  HD2 TYR A  32      -3.381  -4.397  -1.876  1.00  1.00           H   new
ATOM      0  HE1 TYR A  32      -5.841  -5.977   2.079  1.00  1.30           H   new
ATOM      0  HE2 TYR A  32      -2.463  -6.221  -0.509  1.00  1.29           H   new
ATOM      0  HH  TYR A  32      -2.728  -7.522   1.253  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.652  -3.754  -1.126  1.00  0.48           N
ATOM    461  CA  PHE A  33     -10.052  -3.650  -0.692  1.00  0.54           C
ATOM    462  C   PHE A  33     -10.603  -2.229  -0.722  1.00  0.56           C
ATOM    463  O   PHE A  33     -11.588  -1.961  -1.413  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.196  -4.231   0.716  1.00  0.64           C
ATOM    465  CG  PHE A  33     -10.135  -5.729   0.754  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -11.287  -6.485   0.605  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.926  -6.384   0.930  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -11.235  -7.866   0.633  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.869  -7.764   0.961  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -10.024  -8.506   0.811  1.00  1.96           C
ATOM      0  H   PHE A  33      -8.107  -4.417  -0.574  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.641  -4.221  -1.409  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.407  -3.827   1.350  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.145  -3.903   1.141  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -12.236  -5.989   0.465  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.019  -5.809   1.044  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -12.140  -8.444   0.516  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.921  -8.262   1.103  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -9.980  -9.585   0.833  1.00  1.96           H   new
ATOM    480  N   LEU A  34      -9.992  -1.328   0.025  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.457   0.052   0.064  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.334   1.003  -0.329  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.308   2.159   0.100  1.00  0.49           O
ATOM    484  CB  LEU A  34     -10.982   0.432   1.459  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.310  -0.200   1.904  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.355  -0.086   0.807  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -12.121  -1.649   2.328  1.00  1.57           C
ATOM      0  H   LEU A  34      -9.179  -1.521   0.610  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.277   0.139  -0.649  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.219   0.167   2.191  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.095   1.516   1.494  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -12.667   0.353   2.773  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.287  -0.540   1.144  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -13.526   0.965   0.575  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.002  -0.601  -0.086  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -13.080  -2.066   2.637  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -11.728  -2.225   1.490  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -11.420  -1.696   3.161  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.409   0.530  -1.154  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.287   1.365  -1.520  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.348   0.705  -2.501  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.755  -0.140  -3.296  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.416  -0.402  -1.569  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.660   2.294  -1.952  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.733   1.632  -0.620  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.085   1.088  -2.439  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.099   0.583  -3.372  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.775   0.280  -2.667  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.308   1.044  -1.824  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.877   1.583  -4.534  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.934   0.994  -5.586  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.338   2.909  -4.011  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.779   1.863  -6.815  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.720   1.747  -1.752  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.483  -0.349  -3.787  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.841   1.770  -5.008  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.954   0.837  -5.136  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.306   0.015  -5.888  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.190   3.596  -4.844  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.051   3.340  -3.308  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.387   2.741  -3.506  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.097   1.383  -7.517  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.751   1.999  -7.289  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.377   2.834  -6.526  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.199  -0.862  -2.997  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.912  -1.261  -2.460  1.00  0.27           C
ATOM    527  C   CYS A  37       0.193  -0.843  -3.420  1.00  0.24           C
ATOM    528  O   CYS A  37       0.409  -1.483  -4.450  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.882  -2.775  -2.240  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.704  -3.409  -1.615  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.609  -1.537  -3.643  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.753  -0.769  -1.501  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.670  -3.044  -1.537  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -1.113  -3.272  -3.182  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.871   0.241  -3.101  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.907   0.767  -3.972  1.00  0.25           C
ATOM    537  C   CYS A  38       3.279   0.268  -3.543  1.00  0.20           C
ATOM    538  O   CYS A  38       3.647   0.367  -2.372  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.874   2.292  -3.964  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.311   3.001  -4.581  1.00  1.14           S
ATOM      0  H   CYS A  38       0.724   0.776  -2.245  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.717   0.413  -4.985  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.044   2.644  -2.947  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.697   2.667  -4.573  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.030  -0.271  -4.494  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.360  -0.782  -4.212  1.00  0.21           C
ATOM    547  C   TYR A  39       6.367  -0.230  -5.215  1.00  0.25           C
ATOM    548  O   TYR A  39       5.997   0.190  -6.314  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.365  -2.317  -4.226  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.939  -2.949  -5.539  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.846  -3.110  -6.578  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.628  -3.363  -5.746  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.461  -3.670  -7.781  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.235  -3.921  -6.947  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.161  -4.144  -7.929  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.772  -4.633  -9.158  1.00  0.57           O
ATOM      0  H   TYR A  39       3.739  -0.365  -5.467  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.652  -0.451  -3.215  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.369  -2.664  -3.982  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.704  -2.675  -3.437  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.869  -2.792  -6.444  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.904  -3.246  -4.953  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.163  -3.739  -8.599  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.199  -4.181  -7.110  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.839  -4.929  -9.112  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.656  -0.208  -4.855  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.142  -0.649  -3.545  1.00  0.27           C
ATOM    568  C   PRO A  40       7.983   0.435  -2.484  1.00  0.31           C
ATOM    569  O   PRO A  40       7.606   1.565  -2.796  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.635  -0.933  -3.790  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.886  -0.639  -5.240  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.760   0.238  -5.698  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.586  -1.510  -3.173  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.260  -0.307  -3.152  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.877  -1.970  -3.556  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.846  -0.140  -5.374  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40       9.922  -1.560  -5.822  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.982   1.295  -5.551  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.543   0.102  -6.758  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.235   0.071  -1.231  1.00  0.32           N
ATOM    581  CA  VAL A  41       8.231   1.036  -0.137  1.00  0.50           C
ATOM    582  C   VAL A  41       9.322   2.088  -0.332  1.00  0.62           C
ATOM    583  O   VAL A  41      10.487   1.862   0.002  1.00  0.74           O
ATOM    584  CB  VAL A  41       8.436   0.357   1.238  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.447   1.387   2.358  1.00  1.31           C
ATOM    586  CG2 VAL A  41       7.362  -0.682   1.494  1.00  1.13           C
ATOM      0  H   VAL A  41       8.445  -0.886  -0.948  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.250   1.512  -0.150  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       9.404  -0.143   1.219  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       8.593   0.884   3.314  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       9.259   2.095   2.193  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       7.497   1.921   2.370  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       7.528  -1.145   2.467  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       6.383  -0.203   1.482  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       7.402  -1.446   0.717  1.00  1.13           H   new
ATOM    596  N   ASP A  42       8.941   3.219  -0.903  1.00  0.94           N
ATOM    597  CA  ASP A  42       9.832   4.359  -1.020  1.00  1.29           C
ATOM    598  C   ASP A  42       9.556   5.333   0.111  1.00  1.78           C
ATOM    599  O   ASP A  42      10.372   5.405   1.049  1.00  2.52           O
ATOM    600  CB  ASP A  42       9.670   5.059  -2.374  1.00  2.07           C
ATOM    601  CG  ASP A  42      10.766   4.688  -3.352  1.00  2.59           C
ATOM    602  OD1 ASP A  42      11.924   5.094  -3.132  1.00  2.92           O
ATOM    603  OD2 ASP A  42      10.481   4.006  -4.354  1.00  3.08           O
ATOM    604  OXT ASP A  42       8.497   5.985   0.086  1.00  2.26           O
ATOM      0  H   ASP A  42       8.012   3.371  -1.296  1.00  0.94           H   new
ATOM      0  HA  ASP A  42      10.860   4.002  -0.954  1.00  1.29           H   new
ATOM      0  HB2 ASP A  42       8.702   4.798  -2.801  1.00  2.07           H   new
ATOM      0  HB3 ASP A  42       9.671   6.139  -2.224  1.00  2.07           H   new
TER     609      ASP A  42