USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=15
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  145:sc=    1.03
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=   -0.58
USER  MOD Single : A   8 LYS NZ  :NH3+    169:sc=-0.00375   (180deg=-0.107)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   26:sc=   0.852
USER  MOD Single : A  17 THR OG1 :   rot -134:sc=   0.659
USER  MOD Single : A  18 LYS NZ  :NH3+    139:sc=  -0.103   (180deg=-0.49)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  118:sc=   0.299
USER  MOD Single : A  23 ASN     :      amide:sc=  -0.619  K(o=-0.62,f=-1.9)
USER  MOD Single : A  26 TYR OH  :   rot  -99:sc=   -0.21
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 -138:sc=   0.259
USER  MOD -----------------------------------------------------------------
ATOM     10  N   THR A   2       0.269   0.582   7.414  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.307  -0.198   6.334  1.00  0.62           C
ATOM     12  C   THR A   2       0.775  -0.773   5.418  1.00  0.47           C
ATOM     13  O   THR A   2       1.084  -0.214   4.365  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.290   0.658   5.518  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.694   1.923   5.199  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.579   0.886   6.293  1.00  1.00           C
ATOM      0  HA  THR A   2      -0.847  -1.032   6.782  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.524   0.123   4.597  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -0.995   2.212   4.312  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -3.259   1.494   5.697  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.047  -0.074   6.512  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.356   1.402   7.227  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.359  -1.881   5.836  1.00  0.58           N
ATOM     25  CA  THR A   3       2.367  -2.562   5.043  1.00  0.55           C
ATOM     26  C   THR A   3       1.745  -3.739   4.292  1.00  0.43           C
ATOM     27  O   THR A   3       1.038  -4.558   4.885  1.00  0.53           O
ATOM     28  CB  THR A   3       3.514  -3.057   5.940  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.973  -1.976   6.764  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.672  -3.585   5.109  1.00  0.98           C
ATOM      0  H   THR A   3       1.151  -2.332   6.727  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.770  -1.855   4.318  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.139  -3.870   6.561  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.703  -2.289   7.338  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.468  -3.928   5.770  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.329  -4.416   4.493  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       5.051  -2.790   4.467  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.989  -3.815   2.991  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.391  -4.853   2.159  1.00  0.45           C
ATOM     40  C   CYS A   4       2.434  -5.522   1.272  1.00  0.38           C
ATOM     41  O   CYS A   4       3.465  -4.933   0.957  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.283  -4.243   1.296  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.792  -2.736   0.406  1.00  1.01           S
ATOM      0  H   CYS A   4       2.598  -3.170   2.487  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       0.969  -5.616   2.813  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.052  -4.986   0.572  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.572  -4.008   1.930  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.176  -6.769   0.898  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.039  -7.488  -0.027  1.00  0.50           C
ATOM     50  C   TYR A   5       2.259  -7.912  -1.265  1.00  0.61           C
ATOM     51  O   TYR A   5       1.176  -8.487  -1.163  1.00  0.85           O
ATOM     52  CB  TYR A   5       3.652  -8.727   0.638  1.00  0.58           C
ATOM     53  CG  TYR A   5       4.762  -8.432   1.623  1.00  0.56           C
ATOM     54  CD1 TYR A   5       4.488  -7.904   2.876  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.089  -8.693   1.299  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.500  -7.644   3.778  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.107  -8.437   2.197  1.00  0.66           C
ATOM     58  CZ  TYR A   5       6.807  -7.913   3.436  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.818  -7.650   4.334  1.00  0.81           O
ATOM      0  H   TYR A   5       1.371  -7.305   1.224  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       3.843  -6.813  -0.320  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       2.863  -9.274   1.154  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.040  -9.385  -0.139  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.465  -7.693   3.151  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       6.328  -9.103   0.329  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.268  -7.231   4.749  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.132  -8.646   1.930  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       8.680  -7.897   3.938  1.00  0.81           H   new
ATOM     69  N   CYS A   6       2.803  -7.611  -2.432  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.210  -8.056  -3.681  1.00  0.62           C
ATOM     71  C   CYS A   6       3.231  -8.857  -4.473  1.00  0.70           C
ATOM     72  O   CYS A   6       4.275  -8.331  -4.871  1.00  0.69           O
ATOM     73  CB  CYS A   6       1.705  -6.870  -4.513  1.00  0.61           C
ATOM     74  SG  CYS A   6       0.719  -7.358  -5.971  1.00  1.20           S
ATOM      0  H   CYS A   6       3.655  -7.060  -2.540  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.352  -8.687  -3.449  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       1.100  -6.224  -3.877  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.560  -6.281  -4.845  1.00  0.61           H   new
ATOM     79  N   GLY A   7       2.941 -10.133  -4.675  1.00  0.85           N
ATOM     80  CA  GLY A   7       3.863 -11.004  -5.375  1.00  0.97           C
ATOM     81  C   GLY A   7       5.052 -11.355  -4.508  1.00  0.93           C
ATOM     82  O   GLY A   7       5.013 -12.326  -3.754  1.00  1.01           O
ATOM      0  H   GLY A   7       2.080 -10.583  -4.365  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.348 -11.916  -5.676  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.207 -10.516  -6.287  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.106 -10.557  -4.611  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.270 -10.708  -3.758  1.00  0.94           C
ATOM     88  C   LYS A   8       7.700  -9.351  -3.214  1.00  0.79           C
ATOM     89  O   LYS A   8       8.643  -9.253  -2.432  1.00  0.86           O
ATOM     90  CB  LYS A   8       8.430 -11.336  -4.538  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.023 -10.414  -5.594  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.203 -11.056  -6.300  1.00  2.18           C
ATOM     93  CE  LYS A   8      10.846 -10.103  -7.294  1.00  3.07           C
ATOM     94  NZ  LYS A   8      11.517  -8.957  -6.627  1.00  3.65           N
ATOM      0  H   LYS A   8       6.176  -9.793  -5.284  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.004 -11.363  -2.929  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.214 -11.624  -3.838  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       8.081 -12.249  -5.020  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.257 -10.158  -6.325  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.341  -9.482  -5.126  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      10.943 -11.368  -5.563  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8       9.872 -11.955  -6.819  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      11.574 -10.647  -7.896  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      10.085  -9.727  -7.978  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      12.094  -8.441  -7.321  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      10.799  -8.318  -6.230  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      12.128  -9.309  -5.863  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.002  -8.304  -3.631  1.00  0.66           N
ATOM    109  CA  THR A   9       7.423  -6.948  -3.326  1.00  0.55           C
ATOM    110  C   THR A   9       6.631  -6.367  -2.160  1.00  0.42           C
ATOM    111  O   THR A   9       5.405  -6.501  -2.096  1.00  0.42           O
ATOM    112  CB  THR A   9       7.268  -6.045  -4.561  1.00  0.55           C
ATOM    113  OG1 THR A   9       7.823  -6.702  -5.709  1.00  0.72           O
ATOM    114  CG2 THR A   9       7.978  -4.716  -4.351  1.00  0.50           C
ATOM      0  H   THR A   9       6.145  -8.369  -4.180  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.474  -6.988  -3.039  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.206  -5.854  -4.718  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       7.722  -6.127  -6.496  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       7.855  -4.094  -5.237  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.549  -4.207  -3.488  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.039  -4.894  -4.177  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.342  -5.727  -1.241  1.00  0.39           N
ATOM    123  CA  ILE A  10       6.716  -5.079  -0.100  1.00  0.32           C
ATOM    124  C   ILE A  10       6.453  -3.607  -0.408  1.00  0.24           C
ATOM    125  O   ILE A  10       7.339  -2.888  -0.883  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.589  -5.204   1.174  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.039  -4.320   2.299  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.043  -4.859   0.872  1.00  0.56           C
ATOM    129  CD1 ILE A  10       7.876  -4.354   3.560  1.00  1.06           C
ATOM      0  H   ILE A  10       8.358  -5.644  -1.266  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       5.769  -5.584   0.089  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       7.552  -6.240   1.510  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.974  -3.292   1.943  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.024  -4.639   2.538  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.636  -4.954   1.782  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.429  -5.541   0.114  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.105  -3.835   0.504  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.427  -3.706   4.312  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       7.920  -5.375   3.940  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.885  -4.006   3.337  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.232  -3.169  -0.155  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.864  -1.800  -0.418  1.00  0.32           C
ATOM    143  C   GLY A  11       4.015  -1.214   0.688  1.00  0.28           C
ATOM    144  O   GLY A  11       3.837  -1.833   1.742  1.00  0.36           O
ATOM      0  H   GLY A  11       4.484  -3.745   0.231  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.766  -1.200  -0.538  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       4.318  -1.747  -1.360  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.488  -0.028   0.445  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.661   0.658   1.417  1.00  0.25           C
ATOM    150  C   ILE A  12       1.216   0.707   0.912  1.00  0.22           C
ATOM    151  O   ILE A  12       0.950   1.056  -0.242  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.228   2.075   1.722  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.467   2.774   2.868  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.237   2.935   0.468  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.177   3.457   2.459  1.00  0.29           C
ATOM      0  H   ILE A  12       3.621   0.484  -0.427  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.671   0.109   2.359  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.257   1.944   2.058  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.241   2.035   3.637  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.125   3.515   3.321  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.637   3.921   0.706  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.860   2.464  -0.292  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.220   3.038   0.090  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.717   3.918   3.333  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.391   4.224   1.714  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.494   2.721   2.035  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.296   0.315   1.775  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.113   0.233   1.425  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.816   1.568   1.655  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.003   2.006   2.792  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.769  -0.895   2.234  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.279  -0.833   2.327  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.081  -0.749   1.194  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -3.898  -0.865   3.567  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.459  -0.696   1.303  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.267  -0.814   3.682  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.043  -0.729   2.553  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.409  -0.676   2.677  1.00  0.80           O
ATOM      0  H   TYR A  13       0.503   0.045   2.737  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.207   0.006   0.363  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.488  -1.849   1.789  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.359  -0.881   3.244  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.622  -0.725   0.217  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.293  -0.931   4.459  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.073  -0.629   0.417  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -5.730  -0.841   4.657  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.825  -1.021   1.860  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.185   2.218   0.564  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.917   3.469   0.625  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.416   3.204   0.690  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.041   2.860  -0.318  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.605   4.339  -0.599  1.00  0.23           C
ATOM    193  CG  TRP A  14      -1.193   4.843  -0.654  1.00  0.23           C
ATOM    194  CD1 TRP A  14      -0.108   4.184  -1.150  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.719   6.120  -0.212  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.013   4.971  -1.038  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.665   6.162  -0.464  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -1.329   7.234   0.375  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.448   7.274  -0.155  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.551   8.334   0.686  1.00  0.45           C
ATOM    201  CH2 TRP A  14       0.824   8.347   0.419  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.986   1.895  -0.383  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.606   3.999   1.525  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.808   3.762  -1.501  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.284   5.192  -0.606  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.126   3.189  -1.570  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       1.953   4.709  -1.335  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.389   7.235   0.582  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.508   7.287  -0.361  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -1.011   9.198   1.143  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.403   9.223   0.672  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.986   3.330   1.880  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.427   3.212   2.042  1.00  0.38           C
ATOM    214  C   PHE A  15      -7.091   4.541   1.715  1.00  0.41           C
ATOM    215  O   PHE A  15      -7.001   5.498   2.486  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.792   2.777   3.469  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.277   2.709   3.714  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -9.068   1.803   3.026  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.879   3.545   4.639  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.428   1.736   3.254  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.238   3.482   4.872  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -11.018   2.587   4.159  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.475   3.513   2.744  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.788   2.447   1.355  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.354   1.798   3.666  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.346   3.474   4.178  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.615   1.141   2.303  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.277   4.256   5.186  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -11.029   1.014   2.721  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.692   4.129   5.608  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -12.087   2.557   4.313  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.733   4.601   0.561  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.407   5.814   0.155  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.299   6.052  -1.334  1.00  0.65           C
ATOM    235  O   GLY A  16      -9.308   6.088  -2.041  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.800   3.830  -0.103  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.458   5.756   0.437  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -7.979   6.662   0.689  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.077   6.205  -1.820  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.849   6.429  -3.239  1.00  0.47           C
ATOM    241  C   THR A  17      -6.750   5.102  -3.984  1.00  0.50           C
ATOM    242  O   THR A  17      -6.542   4.048  -3.379  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.577   7.277  -3.493  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.355   7.432  -4.904  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.349   6.646  -2.852  1.00  0.47           C
ATOM      0  H   THR A  17      -6.229   6.178  -1.254  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.704   6.989  -3.618  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.738   8.255  -3.038  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.412   7.260  -5.108  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.475   7.267  -3.050  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.501   6.566  -1.776  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.190   5.652  -3.271  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.934   5.161  -5.294  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.846   3.985  -6.135  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.685   4.162  -7.114  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.526   3.404  -8.067  1.00  0.71           O
ATOM    257  CB  LYS A  18      -8.181   3.779  -6.868  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.458   2.341  -7.283  1.00  1.70           C
ATOM    259  CD  LYS A  18      -8.124   2.093  -8.742  1.00  2.32           C
ATOM    260  CE  LYS A  18      -8.494   0.680  -9.157  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -9.936   0.399  -8.926  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.147   6.022  -5.798  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.655   3.096  -5.534  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -8.991   4.120  -6.224  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.194   4.409  -7.757  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -7.874   1.665  -6.658  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -9.509   2.110  -7.108  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -8.657   2.810  -9.367  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -7.059   2.256  -8.907  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -8.260   0.537 -10.212  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -7.890  -0.034  -8.597  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -10.317  -0.142  -9.728  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -10.046  -0.153  -8.052  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -10.454   1.296  -8.836  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.869   5.180  -6.862  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.702   5.439  -7.687  1.00  0.69           C
ATOM    277  C   THR A  19      -2.517   5.842  -6.815  1.00  0.60           C
ATOM    278  O   THR A  19      -2.678   6.551  -5.819  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.985   6.534  -8.744  1.00  0.84           C
ATOM    280  OG1 THR A  19      -2.858   6.687  -9.616  1.00  1.60           O
ATOM    281  CG2 THR A  19      -4.303   7.872  -8.091  1.00  1.50           C
ATOM      0  H   THR A  19      -4.997   5.837  -6.093  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.459   4.518  -8.217  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.854   6.216  -9.319  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -3.050   7.381 -10.281  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -4.496   8.617  -8.863  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -5.185   7.768  -7.459  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -3.456   8.191  -7.483  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.333   5.368  -7.172  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.136   5.658  -6.400  1.00  0.62           C
ATOM    291  C   CYS A  20       0.364   7.063  -6.676  1.00  0.52           C
ATOM    292  O   CYS A  20       0.717   7.390  -7.807  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.970   4.652  -6.716  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.579   2.948  -6.221  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.176   4.781  -7.991  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.400   5.579  -5.345  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.170   4.672  -7.787  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.886   4.964  -6.215  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.394   7.919  -5.648  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.002   9.236  -5.757  1.00  0.56           C
ATOM    301  C   PRO A  21       2.518   9.102  -5.843  1.00  0.71           C
ATOM    302  O   PRO A  21       3.220   9.166  -4.832  1.00  0.82           O
ATOM    303  CB  PRO A  21       0.585   9.940  -4.462  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.317   8.840  -3.495  1.00  0.51           C
ATOM    305  CD  PRO A  21      -0.164   7.667  -4.305  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.689   9.785  -6.645  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       1.373  10.600  -4.100  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21      -0.301  10.556  -4.615  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.219   8.584  -2.939  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.434   9.140  -2.764  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.193   6.723  -3.894  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -1.253   7.614  -4.327  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.019   8.888  -7.053  1.00  0.99           N
ATOM    314  CA  SER A  22       4.430   8.593  -7.252  1.00  1.26           C
ATOM    315  C   SER A  22       5.253   9.879  -7.266  1.00  1.32           C
ATOM    316  O   SER A  22       6.024  10.145  -8.189  1.00  1.83           O
ATOM    317  CB  SER A  22       4.636   7.790  -8.541  1.00  1.68           C
ATOM    318  OG  SER A  22       5.890   7.122  -8.534  1.00  2.07           O
ATOM      0  H   SER A  22       2.468   8.913  -7.911  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.777   7.984  -6.417  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.833   7.061  -8.651  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.581   8.457  -9.401  1.00  1.68           H   new
ATOM      0  HG  SER A  22       5.745   6.154  -8.573  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.064  10.675  -6.226  1.00  1.04           N
ATOM    325  CA  ASN A  23       5.866  11.865  -5.995  1.00  1.20           C
ATOM    326  C   ASN A  23       6.935  11.542  -4.962  1.00  1.07           C
ATOM    327  O   ASN A  23       7.445  12.418  -4.265  1.00  1.27           O
ATOM    328  CB  ASN A  23       4.978  13.027  -5.520  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.199  12.700  -4.255  1.00  1.32           C
ATOM    330  OD1 ASN A  23       3.127  12.097  -4.312  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.711  13.118  -3.109  1.00  1.61           N
ATOM      0  H   ASN A  23       4.349  10.514  -5.517  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       6.344  12.174  -6.925  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.601  13.903  -5.340  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       4.278  13.290  -6.313  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       4.215  12.944  -2.235  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       5.602  13.615  -3.099  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.258  10.254  -4.874  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.229   9.756  -3.913  1.00  1.02           C
ATOM    340  C   ARG A  24       9.216   8.818  -4.599  1.00  1.13           C
ATOM    341  O   ARG A  24      10.346   9.209  -4.900  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.523   9.033  -2.760  1.00  1.06           C
ATOM    343  CG  ARG A  24       6.720   9.951  -1.860  1.00  1.42           C
ATOM    344  CD  ARG A  24       5.890   9.160  -0.864  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.163  10.027   0.060  1.00  2.03           N
ATOM    346  CZ  ARG A  24       3.945  10.515  -0.172  1.00  2.71           C
ATOM    347  NH1 ARG A  24       3.323  10.263  -1.319  1.00  3.19           N
ATOM    348  NH2 ARG A  24       3.345  11.259   0.744  1.00  3.39           N
ATOM      0  H   ARG A  24       6.853   9.530  -5.467  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.777  10.605  -3.504  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.859   8.273  -3.173  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.269   8.513  -2.159  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.394  10.620  -1.325  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       6.065  10.577  -2.466  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       5.182   8.531  -1.403  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       6.542   8.494  -0.298  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       5.617  10.275   0.939  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       3.778   9.692  -2.031  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       2.391  10.641  -1.487  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       3.815  11.459   1.627  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       2.413  11.633   0.567  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.777   7.588  -4.865  1.00  0.93           N
ATOM    363  CA  GLY A  25       9.614   6.645  -5.588  1.00  1.10           C
ATOM    364  C   GLY A  25       8.918   5.323  -5.872  1.00  0.81           C
ATOM    365  O   GLY A  25       9.571   4.286  -5.997  1.00  0.78           O
ATOM      0  H   GLY A  25       7.861   7.230  -4.594  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.926   7.094  -6.531  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.519   6.455  -5.011  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.592   5.352  -5.976  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.817   4.138  -6.241  1.00  0.50           C
ATOM    371  C   TYR A  26       7.021   3.666  -7.673  1.00  0.49           C
ATOM    372  O   TYR A  26       7.000   4.466  -8.607  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.329   4.378  -5.972  1.00  0.51           C
ATOM    374  CG  TYR A  26       5.047   4.801  -4.552  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.490   4.042  -3.479  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.312   5.947  -4.291  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.208   4.418  -2.180  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.031   6.331  -2.999  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.574   5.591  -1.937  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.185   5.939  -0.662  1.00  3.45           O
ATOM      0  H   TYR A  26       7.031   6.199  -5.882  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.173   3.359  -5.567  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.961   5.145  -6.653  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.774   3.465  -6.190  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       6.063   3.145  -3.661  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.954   6.548  -5.114  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.493   3.777  -1.358  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.403   7.188  -2.806  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       3.235   5.732  -0.542  1.00  3.45           H   new
ATOM    390  N   THR A  27       7.215   2.366  -7.840  1.00  0.41           N
ATOM    391  CA  THR A  27       7.464   1.796  -9.157  1.00  0.53           C
ATOM    392  C   THR A  27       6.225   1.072  -9.686  1.00  0.45           C
ATOM    393  O   THR A  27       5.912   1.137 -10.876  1.00  0.67           O
ATOM    394  CB  THR A  27       8.649   0.807  -9.112  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.769   1.412  -8.447  1.00  1.18           O
ATOM    396  CG2 THR A  27       9.061   0.387 -10.513  1.00  1.33           C
ATOM      0  H   THR A  27       7.205   1.685  -7.080  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.708   2.620  -9.827  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.329  -0.078  -8.562  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.516   0.778  -8.421  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.897  -0.309 -10.453  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       8.220  -0.097 -11.010  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       9.361   1.266 -11.083  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.518   0.390  -8.798  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.352  -0.363  -9.202  1.00  0.31           C
ATOM    406  C   GLY A  28       3.274  -0.360  -8.142  1.00  0.29           C
ATOM    407  O   GLY A  28       3.470   0.174  -7.047  1.00  0.35           O
ATOM      0  H   GLY A  28       5.733   0.345  -7.802  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.952   0.057 -10.125  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.643  -1.391  -9.419  1.00  0.31           H   new
ATOM    411  N   SER A  29       2.139  -0.960  -8.454  1.00  0.31           N
ATOM    412  CA  SER A  29       1.017  -0.981  -7.536  1.00  0.34           C
ATOM    413  C   SER A  29       0.327  -2.344  -7.536  1.00  0.37           C
ATOM    414  O   SER A  29       0.646  -3.216  -8.348  1.00  0.52           O
ATOM    415  CB  SER A  29       0.026   0.114  -7.916  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.359   0.005  -9.277  1.00  0.96           O
ATOM      0  H   SER A  29       1.971  -1.440  -9.338  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.391  -0.799  -6.529  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.856   0.047  -7.279  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.474   1.092  -7.739  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.996   0.717  -9.495  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.599  -2.512  -6.602  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.360  -3.743  -6.464  1.00  0.40           C
ATOM    424  C   CYS A  30      -2.741  -3.415  -5.903  1.00  0.37           C
ATOM    425  O   CYS A  30      -2.849  -2.674  -4.926  1.00  0.43           O
ATOM    426  CB  CYS A  30      -0.627  -4.692  -5.511  1.00  0.55           C
ATOM    427  SG  CYS A  30      -1.074  -6.448  -5.683  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.843  -1.796  -5.918  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.466  -4.224  -7.437  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30       0.446  -4.588  -5.672  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -0.827  -4.380  -4.486  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -3.789  -3.940  -6.525  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.137  -3.686  -6.046  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.371  -4.287  -4.674  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.082  -5.464  -4.454  1.00  0.49           O
ATOM      0  H   GLY A  31      -3.732  -4.536  -7.351  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.312  -2.611  -6.006  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -5.857  -4.100  -6.752  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -5.876  -3.485  -3.747  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.075  -3.947  -2.383  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.474  -3.583  -1.895  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.179  -2.809  -2.543  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.008  -3.333  -1.472  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.407  -4.310  -0.484  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -3.541  -5.308  -0.913  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -4.694  -4.232   0.875  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -2.980  -6.200  -0.021  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -4.137  -5.123   1.773  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -3.282  -6.103   1.320  1.00  1.34           C
ATOM    450  OH  TYR A  32      -2.725  -6.988   2.213  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.153  -2.518  -3.914  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -5.980  -5.033  -2.356  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.211  -2.920  -2.090  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.449  -2.501  -0.923  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.302  -5.387  -1.963  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -5.362  -3.463   1.234  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -2.308  -6.969  -0.372  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -4.371  -5.051   2.825  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -3.040  -6.781   3.118  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -7.861  -4.146  -0.749  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.189  -3.930  -0.170  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.491  -2.444  -0.010  1.00  0.56           C
ATOM    463  O   PHE A  33      -8.982  -1.803   0.910  1.00  1.24           O
ATOM    464  CB  PHE A  33      -9.286  -4.603   1.204  1.00  0.64           C
ATOM    465  CG  PHE A  33      -8.992  -6.073   1.192  1.00  1.00           C
ATOM    466  CD1 PHE A  33      -9.999  -6.992   0.942  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -7.709  -6.539   1.426  1.00  1.38           C
ATOM    468  CE1 PHE A  33      -9.732  -8.346   0.925  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -7.438  -7.891   1.409  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -8.445  -8.796   1.179  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.265  -4.763  -0.197  1.00  0.48           H   new
ATOM      0  HA  PHE A  33      -9.917  -4.368  -0.853  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -8.593  -4.111   1.886  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.289  -4.448   1.602  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.005  -6.644   0.758  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -6.913  -5.837   1.624  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -10.522  -9.052   0.715  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -6.430  -8.240   1.577  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -8.235  -9.855   1.196  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.308  -1.908  -0.916  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.731  -0.507  -0.867  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.535   0.445  -0.920  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.606   1.574  -0.430  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.557  -0.236   0.399  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.844  -1.052   0.528  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.564  -0.702   1.818  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.745  -0.809  -0.671  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.695  -2.430  -1.702  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.350  -0.324  -1.745  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.932  -0.434   1.270  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.814   0.823   0.425  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -12.585  -2.111   0.555  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.478  -1.291   1.896  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.917  -0.922   2.667  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.815   0.359   1.819  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.657  -1.396  -0.566  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.999   0.249  -0.727  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.226  -1.106  -1.582  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.442  -0.006  -1.519  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.253   0.813  -1.577  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.237   0.288  -2.564  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.522  -0.630  -3.339  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.359  -0.920  -1.963  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.530   1.831  -1.852  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.801   0.862  -0.586  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.047   0.857  -2.533  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.008   0.461  -3.457  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.684   0.229  -2.727  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.274   1.024  -1.883  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.836   1.507  -4.584  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.809   1.026  -5.608  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.436   2.864  -4.020  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.647   1.960  -6.786  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.779   1.592  -1.879  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.312  -0.480  -3.914  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.797   1.624  -5.084  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.845   0.906  -5.114  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.105   0.042  -5.973  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.323   3.578  -4.836  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.208   3.215  -3.335  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.491   2.771  -3.485  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -1.903   1.555  -7.472  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.601   2.061  -7.304  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.321   2.938  -6.433  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.047  -0.886  -3.032  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.756  -1.223  -2.455  1.00  0.27           C
ATOM    527  C   CYS A  37       0.353  -0.726  -3.372  1.00  0.24           C
ATOM    528  O   CYS A  37       0.519  -1.228  -4.483  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.656  -2.742  -2.256  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.917  -3.313  -1.535  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.407  -1.583  -3.684  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.650  -0.741  -1.483  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.474  -3.065  -1.612  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -0.797  -3.231  -3.220  1.00  0.37           H   new
ATOM    535  N   CYS A  38       1.093   0.271  -2.918  1.00  0.23           N
ATOM    536  CA  CYS A  38       2.126   0.889  -3.739  1.00  0.25           C
ATOM    537  C   CYS A  38       3.516   0.420  -3.331  1.00  0.20           C
ATOM    538  O   CYS A  38       3.935   0.611  -2.190  1.00  0.21           O
ATOM    539  CB  CYS A  38       2.031   2.408  -3.632  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.440   3.072  -4.205  1.00  1.14           S
ATOM      0  H   CYS A  38       0.999   0.672  -1.985  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.963   0.587  -4.774  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.187   2.702  -2.594  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.835   2.857  -4.215  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.230  -0.185  -4.267  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.552  -0.714  -3.983  1.00  0.21           C
ATOM    547  C   TYR A  39       6.588  -0.142  -4.951  1.00  0.25           C
ATOM    548  O   TYR A  39       6.246   0.297  -6.053  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.547  -2.247  -4.035  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.973  -2.839  -5.304  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.719  -2.892  -6.478  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.687  -3.362  -5.323  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.195  -3.445  -7.630  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.162  -3.917  -6.469  1.00  0.41           C
ATOM    555  CZ  TYR A  39       3.915  -3.957  -7.619  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.381  -4.504  -8.762  1.00  0.57           O
ATOM      0  H   TYR A  39       3.916  -0.321  -5.228  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.828  -0.409  -2.974  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.570  -2.604  -3.915  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.977  -2.623  -3.186  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.723  -2.495  -6.488  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.089  -3.333  -4.424  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       5.785  -3.476  -8.534  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.160  -4.320  -6.464  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.448  -4.219  -8.856  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.869  -0.111  -4.550  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.319  -0.547  -3.216  1.00  0.27           C
ATOM    568  C   PRO A  40       7.796   0.365  -2.112  1.00  0.31           C
ATOM    569  O   PRO A  40       7.335   1.473  -2.382  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.847  -0.434  -3.294  1.00  0.45           C
ATOM    571  CG  PRO A  40      10.163  -0.356  -4.746  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.997   0.345  -5.374  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.960  -1.548  -2.976  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.203   0.451  -2.766  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.329  -1.296  -2.833  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      11.089   0.193  -4.917  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.299  -1.350  -5.172  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.110   1.429  -5.343  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.873   0.068  -6.421  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.845  -0.119  -0.877  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.454   0.679   0.277  1.00  0.50           C
ATOM    582  C   VAL A  41       8.384   1.888   0.424  1.00  0.62           C
ATOM    583  O   VAL A  41       9.492   1.792   0.955  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.428  -0.172   1.578  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.746  -0.905   1.791  1.00  1.31           C
ATOM    586  CG2 VAL A  41       7.091   0.691   2.788  1.00  1.13           C
ATOM      0  H   VAL A  41       8.153  -1.064  -0.649  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       6.439   1.041   0.111  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       6.645  -0.921   1.463  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       8.693  -1.490   2.709  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.933  -1.570   0.948  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       9.557  -0.181   1.869  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       7.079   0.072   3.685  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       7.842   1.474   2.897  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.110   1.146   2.649  1.00  1.13           H   new