USER  MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=13
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 Single : A   1 GLY N   :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  180:sc= 0.00422
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+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   10:sc=    0.33
USER  MOD Single : A  17 THR OG1 :   rot -116:sc=   0.414
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 ASN     :      amide:sc=  -0.128  K(o=-0.13,f=-1.8!)
USER  MOD Single : A  26 TYR OH  :   rot  180:sc=       0
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      -1.002   0.139  10.426  1.00  2.96           N
ATOM      2  CA  GLY A   1      -0.982  -1.166   9.720  1.00  2.38           C
ATOM      3  C   GLY A   1      -1.228  -1.014   8.234  1.00  1.73           C
ATOM      4  O   GLY A   1      -2.069  -1.706   7.658  1.00  2.00           O
ATOM      0  H1  GLY A   1      -0.829  -0.012  11.440  1.00  2.96           H   new
ATOM      0  H2  GLY A   1      -0.260   0.756  10.037  1.00  2.96           H   new
ATOM      0  H3  GLY A   1      -1.930   0.590  10.296  1.00  2.96           H   new
ATOM      0  HA2 GLY A   1      -0.018  -1.649   9.880  1.00  2.38           H   new
ATOM      0  HA3 GLY A   1      -1.742  -1.821  10.148  1.00  2.38           H   new
ATOM     10  N   THR A   2      -0.492  -0.111   7.607  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.674   0.181   6.196  1.00  0.62           C
ATOM     12  C   THR A   2       0.496  -0.342   5.364  1.00  0.47           C
ATOM     13  O   THR A   2       1.137   0.404   4.624  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.853   1.695   5.970  1.00  0.67           C
ATOM     15  OG1 THR A   2       0.043   2.432   6.823  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.288   2.117   6.248  1.00  1.00           C
ATOM      0  H   THR A   2       0.242   0.436   8.058  1.00  1.13           H   new
ATOM      0  HA  THR A   2      -1.579  -0.331   5.869  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.621   1.913   4.928  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -0.077   3.393   6.671  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.391   3.189   6.082  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -2.961   1.580   5.579  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.542   1.884   7.282  1.00  1.00           H   new
ATOM     24  N   THR A   3       0.776  -1.630   5.487  1.00  0.58           N
ATOM     25  CA  THR A   3       1.844  -2.255   4.723  1.00  0.55           C
ATOM     26  C   THR A   3       1.371  -3.580   4.132  1.00  0.43           C
ATOM     27  O   THR A   3       0.642  -4.335   4.777  1.00  0.53           O
ATOM     28  CB  THR A   3       3.091  -2.473   5.604  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.487  -1.219   6.175  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.248  -3.054   4.799  1.00  0.98           C
ATOM      0  H   THR A   3       0.277  -2.264   6.111  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.116  -1.587   3.906  1.00  0.55           H   new
ATOM      0  HB  THR A   3       2.837  -3.185   6.390  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.279  -1.351   6.738  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.110  -3.195   5.451  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       3.952  -4.014   4.377  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.511  -2.369   3.993  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.772  -3.846   2.901  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.334  -5.033   2.185  1.00  0.45           C
ATOM     40  C   CYS A   4       2.474  -5.615   1.354  1.00  0.38           C
ATOM     41  O   CYS A   4       3.567  -5.046   1.296  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.147  -4.676   1.294  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.301  -3.047   0.493  1.00  1.01           S
ATOM      0  H   CYS A   4       2.407  -3.249   2.371  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.027  -5.791   2.905  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4       0.037  -5.441   0.525  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.764  -4.693   1.892  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.227  -6.755   0.725  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.233  -7.409  -0.097  1.00  0.50           C
ATOM     50  C   TYR A   5       2.636  -7.873  -1.420  1.00  0.61           C
ATOM     51  O   TYR A   5       1.570  -8.487  -1.451  1.00  0.85           O
ATOM     52  CB  TYR A   5       3.836  -8.614   0.633  1.00  0.58           C
ATOM     53  CG  TYR A   5       4.796  -8.260   1.749  1.00  0.56           C
ATOM     54  CD1 TYR A   5       4.342  -8.039   3.042  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.161  -8.163   1.508  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.218  -7.724   4.063  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.043  -7.852   2.523  1.00  0.66           C
ATOM     58  CZ  TYR A   5       6.568  -7.635   3.798  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.450  -7.323   4.809  1.00  0.81           O
ATOM      0  H   TYR A   5       1.335  -7.247   0.769  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.018  -6.679  -0.294  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.026  -9.215   1.046  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.358  -9.238  -0.093  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.286  -8.115   3.254  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       6.538  -8.334   0.510  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       4.848  -7.549   5.062  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.101  -7.779   2.319  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       8.362  -7.302   4.452  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.328  -7.573  -2.506  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.938  -8.048  -3.825  1.00  0.62           C
ATOM     71  C   CYS A   6       3.996  -9.008  -4.342  1.00  0.70           C
ATOM     72  O   CYS A   6       5.104  -8.595  -4.698  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.762  -6.881  -4.793  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.423  -5.736  -4.334  1.00  1.20           S
ATOM      0  H   CYS A   6       4.170  -6.998  -2.500  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.982  -8.565  -3.748  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.698  -6.325  -4.850  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.564  -7.275  -5.790  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.665 -10.292  -4.353  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.636 -11.304  -4.706  1.00  0.97           C
ATOM     81  C   GLY A   7       5.667 -11.461  -3.613  1.00  0.93           C
ATOM     82  O   GLY A   7       5.430 -12.149  -2.618  1.00  1.01           O
ATOM      0  H   GLY A   7       2.738 -10.650  -4.123  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       4.132 -12.255  -4.876  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       5.128 -11.033  -5.640  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.800 -10.804  -3.783  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.821 -10.771  -2.758  1.00  0.94           C
ATOM     88  C   LYS A   8       8.273  -9.339  -2.504  1.00  0.79           C
ATOM     89  O   LYS A   8       9.174  -9.093  -1.703  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.012 -11.657  -3.142  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.635 -11.313  -4.485  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.785 -12.246  -4.821  1.00  2.18           C
ATOM     93  CE  LYS A   8      11.383 -11.921  -6.177  1.00  3.07           C
ATOM     94  NZ  LYS A   8      12.518 -12.818  -6.517  1.00  3.65           N
ATOM      0  H   LYS A   8       7.035 -10.284  -4.628  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.393 -11.166  -1.837  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.775 -11.576  -2.368  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       8.686 -12.697  -3.161  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.876 -11.374  -5.265  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.993 -10.284  -4.468  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.555 -12.168  -4.054  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.433 -13.277  -4.815  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      10.612 -12.007  -6.943  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      11.725 -10.886  -6.183  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      12.896 -12.561  -7.451  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      13.266 -12.718  -5.801  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      12.187 -13.804  -6.537  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.634  -8.394  -3.181  1.00  0.66           N
ATOM    109  CA  THR A   9       7.956  -6.988  -3.009  1.00  0.55           C
ATOM    110  C   THR A   9       7.050  -6.362  -1.955  1.00  0.42           C
ATOM    111  O   THR A   9       5.833  -6.561  -1.974  1.00  0.42           O
ATOM    112  CB  THR A   9       7.810  -6.204  -4.331  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.607  -6.812  -5.355  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.240  -4.755  -4.154  1.00  0.50           C
ATOM      0  H   THR A   9       6.890  -8.578  -3.854  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.995  -6.932  -2.686  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.760  -6.227  -4.621  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.506  -6.309  -6.190  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.128  -4.224  -5.099  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.617  -4.281  -3.395  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.283  -4.721  -3.840  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.645  -5.614  -1.038  1.00  0.39           N
ATOM    123  CA  ILE A  10       6.889  -4.952   0.008  1.00  0.32           C
ATOM    124  C   ILE A  10       6.360  -3.603  -0.481  1.00  0.24           C
ATOM    125  O   ILE A  10       7.114  -2.755  -0.978  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.732  -4.772   1.296  1.00  0.46           C
ATOM    127  CG1 ILE A  10       6.959  -3.967   2.346  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.070  -4.121   0.983  1.00  0.56           C
ATOM    129  CD1 ILE A  10       7.711  -3.777   3.647  1.00  1.06           C
ATOM      0  H   ILE A  10       8.651  -5.452  -0.999  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.041  -5.591   0.255  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       7.931  -5.760   1.711  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.715  -2.989   1.932  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.015  -4.470   2.553  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.643  -4.006   1.903  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.626  -4.748   0.286  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       8.902  -3.142   0.535  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.100  -3.198   4.339  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       7.932  -4.750   4.085  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.643  -3.246   3.454  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.056  -3.424  -0.348  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.418  -2.203  -0.780  1.00  0.32           C
ATOM    143  C   GLY A  11       3.687  -1.532   0.357  1.00  0.28           C
ATOM    144  O   GLY A  11       3.416  -2.156   1.384  1.00  0.36           O
ATOM      0  H   GLY A  11       4.422  -4.113   0.057  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.167  -1.523  -1.185  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.718  -2.422  -1.586  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.379  -0.263   0.190  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.678   0.477   1.217  1.00  0.25           C
ATOM    150  C   ILE A  12       1.194   0.549   0.866  1.00  0.22           C
ATOM    151  O   ILE A  12       0.818   0.846  -0.271  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.308   1.886   1.418  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.731   2.616   2.651  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.164   2.734   0.165  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.396   3.304   2.429  1.00  0.29           C
ATOM      0  H   ILE A  12       3.603   0.277  -0.646  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.775  -0.042   2.171  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.371   1.734   1.607  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.620   1.895   3.461  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.454   3.360   2.984  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.613   3.713   0.334  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.668   2.243  -0.667  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.107   2.856  -0.072  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       1.077   3.786   3.353  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.499   4.054   1.645  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.652   2.566   2.129  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.363   0.234   1.845  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.072   0.141   1.645  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.736   1.503   1.823  1.00  0.21           C
ATOM    170  O   TYR A  13      -1.996   1.942   2.944  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.650  -0.894   2.620  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.160  -0.937   2.698  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -3.920  -1.026   1.538  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -3.827  -0.876   3.916  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.297  -1.054   1.587  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.209  -0.901   3.973  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -5.932  -1.045   2.882  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.311  -1.008   2.849  1.00  0.80           O
ATOM      0  H   TYR A  13       0.664   0.036   2.799  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.275  -0.183   0.624  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.289  -1.881   2.332  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.257  -0.690   3.616  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.422  -1.074   0.581  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.258  -0.808   4.831  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.884  -1.082   0.681  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -5.703  -0.801   4.928  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.620  -1.154   1.931  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -1.990   2.170   0.709  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.677   3.447   0.727  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.180   3.230   0.795  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.821   2.942  -0.212  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.332   4.272  -0.515  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.910   4.731  -0.560  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.101   4.195  -1.303  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.340   5.822   0.173  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.264   4.889  -1.084  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.022   5.890  -0.179  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.845   6.748   1.091  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.880   6.845   0.355  1.00  0.40           C
ATOM    200  CZ3 TRP A  14       0.009   7.697   1.618  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.359   7.740   1.246  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.729   1.845  -0.222  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.349   3.996   1.610  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.540   3.677  -1.404  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -2.986   5.143  -0.554  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14       0.001   3.349  -1.966  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.163   4.692  -1.523  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.884   6.722   1.383  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.923   6.878   0.075  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.370   8.417   2.328  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       2.001   8.496   1.672  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.734   3.338   1.990  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.171   3.239   2.167  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.820   4.575   1.833  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.412   5.617   2.348  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.509   2.823   3.601  1.00  0.46           C
ATOM    217  CG  PHE A  15      -7.983   2.723   3.867  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.747   1.748   3.249  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.604   3.601   4.741  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.102   1.651   3.496  1.00  0.75           C
ATOM    221  CE2 PHE A  15      -9.958   3.509   4.991  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.712   2.542   4.351  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.210   3.494   2.851  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.560   2.476   1.493  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.045   1.859   3.810  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.072   3.544   4.292  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.278   1.055   2.566  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.021   4.366   5.232  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.684   0.876   3.019  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.428   4.190   5.685  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.777   2.486   4.521  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.815   4.546   0.962  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.469   5.767   0.548  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.063   6.178  -0.849  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.867   6.120  -1.780  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.182   3.696   0.533  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.550   5.631   0.587  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.223   6.566   1.247  1.00  0.60           H   new
ATOM    239  N   THR A  17      -6.810   6.579  -1.006  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.314   6.986  -2.308  1.00  0.47           C
ATOM    241  C   THR A  17      -5.891   5.769  -3.123  1.00  0.50           C
ATOM    242  O   THR A  17      -5.227   4.867  -2.618  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.129   7.983  -2.208  1.00  0.48           C
ATOM    244  OG1 THR A  17      -4.665   8.336  -3.522  1.00  0.56           O
ATOM    245  CG2 THR A  17      -3.968   7.405  -1.405  1.00  0.47           C
ATOM      0  H   THR A  17      -6.124   6.630  -0.253  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.135   7.498  -2.809  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.495   8.870  -1.691  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -3.743   8.025  -3.638  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.159   8.134  -1.359  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.305   7.172  -0.395  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -3.610   6.495  -1.887  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.310   5.744  -4.379  1.00  0.58           N
ATOM    254  CA  LYS A  18      -5.888   4.708  -5.303  1.00  0.69           C
ATOM    255  C   LYS A  18      -4.724   5.252  -6.133  1.00  0.64           C
ATOM    256  O   LYS A  18      -4.149   4.565  -6.970  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.077   4.288  -6.191  1.00  0.91           C
ATOM    258  CG  LYS A  18      -6.900   2.958  -6.919  1.00  1.70           C
ATOM    259  CD  LYS A  18      -6.263   3.131  -8.288  1.00  2.32           C
ATOM    260  CE  LYS A  18      -6.082   1.798  -8.995  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -5.405   1.958 -10.310  1.00  3.98           N
ATOM      0  H   LYS A  18      -6.945   6.434  -4.781  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -5.553   3.820  -4.767  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.971   4.229  -5.571  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.253   5.069  -6.930  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -6.282   2.295  -6.314  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -7.871   2.475  -7.031  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -6.885   3.786  -8.899  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -5.295   3.620  -8.180  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -5.497   1.128  -8.364  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -7.055   1.329  -9.142  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18      -5.300   1.027 -10.762  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18      -5.975   2.577 -10.921  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18      -4.466   2.382 -10.168  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.363   6.498  -5.867  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.298   7.148  -6.604  1.00  0.69           C
ATOM    277  C   THR A  19      -1.988   7.047  -5.839  1.00  0.60           C
ATOM    278  O   THR A  19      -1.819   7.699  -4.808  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.626   8.631  -6.847  1.00  0.84           C
ATOM    280  OG1 THR A  19      -4.945   8.753  -7.392  1.00  1.60           O
ATOM    281  CG2 THR A  19      -2.618   9.263  -7.796  1.00  1.50           C
ATOM      0  H   THR A  19      -4.794   7.077  -5.146  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.201   6.643  -7.565  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -3.575   9.154  -5.892  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -5.150   9.699  -7.543  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -2.872  10.311  -7.951  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -1.619   9.192  -7.366  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -2.640   8.739  -8.752  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.079   6.207  -6.325  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.250   6.105  -5.738  1.00  0.62           C
ATOM    291  C   CYS A  20       0.952   7.454  -5.809  1.00  0.52           C
ATOM    292  O   CYS A  20       1.245   7.943  -6.902  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.092   5.053  -6.465  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.405   3.370  -6.410  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.239   5.590  -7.121  1.00  0.60           H   new
ATOM      0  HA  CYS A  20       0.139   5.802  -4.697  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.204   5.352  -7.507  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.090   5.039  -6.028  1.00  0.87           H   new
ATOM    299  N   PRO A  21       1.205   8.079  -4.649  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.861   9.381  -4.580  1.00  0.56           C
ATOM    301  C   PRO A  21       3.138   9.427  -5.405  1.00  0.71           C
ATOM    302  O   PRO A  21       4.117   8.732  -5.099  1.00  0.82           O
ATOM    303  CB  PRO A  21       2.181   9.543  -3.093  1.00  0.62           C
ATOM    304  CG  PRO A  21       1.159   8.720  -2.394  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.857   7.564  -3.311  1.00  0.49           C
ATOM      0  HA  PRO A  21       1.231  10.175  -4.982  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       3.190   9.199  -2.865  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       2.124  10.588  -2.787  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.533   8.368  -1.433  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21       0.260   9.303  -2.192  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.447   6.684  -3.054  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.192   7.272  -3.255  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.129  10.244  -6.452  1.00  0.99           N
ATOM    314  CA  SER A  22       4.304  10.436  -7.288  1.00  1.26           C
ATOM    315  C   SER A  22       5.296  11.353  -6.575  1.00  1.32           C
ATOM    316  O   SER A  22       5.814  12.318  -7.137  1.00  1.83           O
ATOM    317  CB  SER A  22       3.887  11.016  -8.641  1.00  1.68           C
ATOM    318  OG  SER A  22       2.866  10.221  -9.230  1.00  2.07           O
ATOM      0  H   SER A  22       2.315  10.786  -6.742  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.791   9.477  -7.466  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.531  12.038  -8.511  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.750  11.061  -9.306  1.00  1.68           H   new
ATOM      0  HG  SER A  22       2.609  10.606 -10.094  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.531  11.026  -5.315  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.396  11.791  -4.442  1.00  1.20           C
ATOM    326  C   ASN A  23       7.637  10.970  -4.135  1.00  1.07           C
ATOM    327  O   ASN A  23       8.764  11.392  -4.385  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.643  12.102  -3.143  1.00  1.39           C
ATOM    329  CG  ASN A  23       6.343  13.113  -2.252  1.00  1.32           C
ATOM    330  OD1 ASN A  23       7.551  13.332  -2.350  1.00  1.83           O
ATOM    331  ND2 ASN A  23       5.587  13.702  -1.341  1.00  1.61           N
ATOM      0  H   ASN A  23       5.118  10.208  -4.866  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       6.689  12.724  -4.923  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       4.650  12.477  -3.391  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.503  11.176  -2.585  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       6.001  14.365  -0.686  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       4.590  13.493  -1.293  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.398   9.777  -3.604  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.468   8.849  -3.248  1.00  1.02           C
ATOM    340  C   ARG A  24       9.050   8.177  -4.491  1.00  1.13           C
ATOM    341  O   ARG A  24      10.260   8.201  -4.709  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.956   7.779  -2.277  1.00  1.06           C
ATOM    343  CG  ARG A  24       8.028   8.154  -0.798  1.00  1.42           C
ATOM    344  CD  ARG A  24       7.202   9.384  -0.456  1.00  1.41           C
ATOM    345  NE  ARG A  24       7.987  10.618  -0.523  1.00  2.03           N
ATOM    346  CZ  ARG A  24       8.045  11.516   0.458  1.00  2.71           C
ATOM    347  NH1 ARG A  24       7.386  11.312   1.590  1.00  3.19           N
ATOM    348  NH2 ARG A  24       8.780  12.608   0.316  1.00  3.39           N
ATOM      0  H   ARG A  24       6.461   9.425  -3.408  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.255   9.425  -2.762  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.920   7.550  -2.527  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.531   6.866  -2.432  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.682   7.312  -0.198  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       9.068   8.334  -0.525  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.359   9.455  -1.143  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       6.788   9.274   0.546  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       8.522  10.801  -1.372  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       6.832  10.464   1.712  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       7.433  12.003   2.339  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       9.303  12.762  -0.546  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       8.823  13.295   1.069  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.178   7.594  -5.306  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.627   6.941  -6.523  1.00  1.10           C
ATOM    364  C   GLY A  25       8.058   5.543  -6.695  1.00  0.81           C
ATOM    365  O   GLY A  25       8.661   4.704  -7.369  1.00  0.78           O
ATOM      0  H   GLY A  25       7.171   7.561  -5.147  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.343   7.550  -7.381  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.716   6.885  -6.518  1.00  1.10           H   new
ATOM    369  N   TYR A  26       6.903   5.288  -6.082  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.227   3.999  -6.208  1.00  0.50           C
ATOM    371  C   TYR A  26       5.964   3.691  -7.673  1.00  0.49           C
ATOM    372  O   TYR A  26       5.446   4.533  -8.409  1.00  0.71           O
ATOM    373  CB  TYR A  26       4.903   4.009  -5.442  1.00  0.51           C
ATOM    374  CG  TYR A  26       5.027   4.458  -4.005  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.666   3.669  -3.059  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.500   5.676  -3.597  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.778   4.082  -1.746  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.609   6.096  -2.285  1.00  2.02           C
ATOM    379  CZ  TYR A  26       5.249   5.294  -1.363  1.00  2.61           C
ATOM    380  OH  TYR A  26       5.358   5.710  -0.057  1.00  3.45           O
ATOM      0  H   TYR A  26       6.415   5.961  -5.491  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       6.873   3.229  -5.785  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.202   4.665  -5.958  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.476   3.007  -5.463  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       6.082   2.717  -3.354  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.997   6.305  -4.316  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       6.279   3.456  -1.022  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       4.195   7.047  -1.983  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       4.933   6.587   0.044  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.314   2.488  -8.095  1.00  0.41           N
ATOM    391  CA  THR A  27       6.219   2.127  -9.500  1.00  0.53           C
ATOM    392  C   THR A  27       5.170   1.040  -9.725  1.00  0.45           C
ATOM    393  O   THR A  27       4.448   1.055 -10.721  1.00  0.67           O
ATOM    394  CB  THR A  27       7.587   1.662 -10.030  1.00  0.66           C
ATOM    395  OG1 THR A  27       8.563   2.678  -9.773  1.00  1.18           O
ATOM    396  CG2 THR A  27       7.532   1.375 -11.523  1.00  1.33           C
ATOM      0  H   THR A  27       6.665   1.747  -7.488  1.00  0.41           H   new
ATOM      0  HA  THR A  27       5.909   3.015 -10.051  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.860   0.740  -9.517  1.00  0.66           H   new
ATOM      0  HG1 THR A  27       9.436   2.385 -10.108  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       8.513   1.049 -11.867  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       6.800   0.590 -11.716  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       7.243   2.280 -12.057  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.077   0.107  -8.794  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.114  -0.959  -8.922  1.00  0.31           C
ATOM    406  C   GLY A  28       2.917  -0.733  -8.033  1.00  0.29           C
ATOM    407  O   GLY A  28       3.030  -0.098  -6.983  1.00  0.35           O
ATOM      0  H   GLY A  28       5.652   0.070  -7.952  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.789  -1.034  -9.960  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.584  -1.908  -8.666  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.770  -1.247  -8.438  1.00  0.31           N
ATOM    412  CA  SER A  29       0.553  -1.055  -7.677  1.00  0.34           C
ATOM    413  C   SER A  29      -0.341  -2.296  -7.713  1.00  0.37           C
ATOM    414  O   SER A  29      -0.510  -2.927  -8.755  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.194   0.161  -8.218  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.333   0.086  -9.627  1.00  0.96           O
ATOM      0  H   SER A  29       1.657  -1.799  -9.288  1.00  0.31           H   new
ATOM      0  HA  SER A  29       0.822  -0.885  -6.635  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.179   0.223  -7.755  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.343   1.071  -7.950  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.816   0.875  -9.951  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.897  -2.636  -6.559  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.816  -3.760  -6.443  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.135  -3.285  -5.848  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.142  -2.565  -4.853  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.212  -4.849  -5.550  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.430  -5.430  -6.080  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.726  -2.144  -5.682  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.993  -4.174  -7.436  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.138  -4.467  -4.532  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.894  -5.699  -5.523  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.244  -3.679  -6.463  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.549  -3.279  -5.967  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.855  -3.879  -4.608  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.625  -5.070  -4.386  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.264  -4.268  -7.296  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.593  -2.192  -5.900  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.316  -3.586  -6.678  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.361  -3.064  -3.693  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.660  -3.529  -2.348  1.00  0.42           C
ATOM    441  C   TYR A  32      -8.015  -3.004  -1.876  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.632  -2.163  -2.536  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.551  -3.100  -1.383  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.897  -4.260  -0.666  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -3.898  -5.006  -1.278  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.286  -4.613   0.619  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -3.305  -6.072  -0.629  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -4.696  -5.676   1.276  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -3.708  -6.403   0.649  1.00  1.34           C
ATOM    450  OH  TYR A  32      -3.124  -7.468   1.298  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.572  -2.080  -3.858  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.710  -4.618  -2.364  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.791  -2.549  -1.937  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.967  -2.414  -0.645  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.580  -4.749  -2.277  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -6.062  -4.048   1.113  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -2.530  -6.643  -1.119  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -5.008  -5.936   2.277  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -3.520  -7.566   2.189  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.466  -3.507  -0.729  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.784  -3.180  -0.185  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.920  -1.685   0.089  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.500  -1.202   1.139  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.028  -3.955   1.113  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.871  -5.444   0.977  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -10.924  -6.224   0.525  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.671  -6.060   1.291  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -10.783  -7.590   0.392  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.524  -7.428   1.161  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -9.577  -8.197   0.741  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.929  -4.153  -0.150  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.526  -3.465  -0.931  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.336  -3.595   1.874  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.035  -3.738   1.470  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.865  -5.757   0.274  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -7.841  -5.465   1.641  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -11.603  -8.186   0.019  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.576  -7.892   1.391  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -9.473  -9.270   0.680  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.513  -0.968  -0.865  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.703   0.480  -0.758  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.360   1.196  -0.695  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.239   2.274  -0.107  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.552   0.851   0.471  1.00  0.63           C
ATOM    485  CG  LEU A  34     -13.061   0.594   0.359  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.368  -0.894   0.283  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.784   1.222   1.540  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.874  -1.371  -1.730  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.238   0.803  -1.651  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -11.173   0.295   1.329  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.400   1.909   0.685  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.414   1.053  -0.564  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.445  -1.040   0.204  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.879  -1.322  -0.592  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.000  -1.388   1.182  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.854   1.035   1.453  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.414   0.785   2.467  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.603   2.297   1.548  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.352   0.596  -1.306  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.036   1.186  -1.291  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.134   0.586  -2.340  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.562  -0.254  -3.136  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.423  -0.287  -1.811  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.119   2.260  -1.456  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.588   1.048  -0.307  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -4.886   1.010  -2.348  1.00  0.24           N
ATOM    507  CA  ILE A  36      -3.930   0.509  -3.314  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.590   0.207  -2.647  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.114   0.962  -1.796  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.745   1.501  -4.484  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.873   0.888  -5.582  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.146   2.812  -3.991  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.788   1.740  -6.827  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.511   1.700  -1.697  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.327  -0.421  -3.722  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.727   1.713  -4.907  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.868   0.728  -5.191  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.271  -0.091  -5.847  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.025   3.495  -4.831  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -3.810   3.260  -3.252  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.174   2.620  -3.536  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.155   1.246  -7.564  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.786   1.879  -7.242  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.362   2.711  -6.575  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.011  -0.920  -3.013  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.718  -1.324  -2.498  1.00  0.27           C
ATOM    527  C   CYS A  37       0.373  -0.850  -3.448  1.00  0.24           C
ATOM    528  O   CYS A  37       0.604  -1.459  -4.493  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.674  -2.849  -2.346  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.770  -3.475  -1.432  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.422  -1.579  -3.674  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.555  -0.874  -1.519  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.580  -3.177  -1.837  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -0.684  -3.301  -3.338  1.00  0.37           H   new
ATOM    535  N   CYS A  38       1.015   0.253  -3.104  1.00  0.23           N
ATOM    536  CA  CYS A  38       2.026   0.843  -3.967  1.00  0.25           C
ATOM    537  C   CYS A  38       3.421   0.425  -3.523  1.00  0.20           C
ATOM    538  O   CYS A  38       3.841   0.710  -2.400  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.904   2.366  -3.961  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.251   2.977  -4.426  1.00  1.14           S
ATOM      0  H   CYS A  38       0.855   0.759  -2.233  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.865   0.481  -4.983  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.151   2.736  -2.966  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.641   2.782  -4.648  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.134  -0.248  -4.408  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.477  -0.716  -4.112  1.00  0.21           C
ATOM    547  C   TYR A  39       6.472  -0.156  -5.126  1.00  0.25           C
ATOM    548  O   TYR A  39       6.080   0.295  -6.207  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.517  -2.252  -4.102  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.083  -2.910  -5.396  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.998  -3.171  -6.411  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.760  -3.284  -5.596  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.605  -3.784  -7.587  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.361  -3.896  -6.767  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.285  -4.145  -7.759  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.887  -4.753  -8.929  1.00  0.57           O
ATOM      0  H   TYR A  39       3.803  -0.484  -5.344  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.761  -0.359  -3.122  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.533  -2.573  -3.871  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.878  -2.612  -3.296  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       7.032  -2.890  -6.278  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.031  -3.093  -4.822  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.327  -3.979  -8.366  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.328  -4.179  -6.906  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.926  -4.943  -8.889  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.770  -0.150  -4.798  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.295  -0.585  -3.499  1.00  0.27           C
ATOM    568  C   PRO A  40       8.120   0.483  -2.428  1.00  0.31           C
ATOM    569  O   PRO A  40       7.984   1.662  -2.740  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.793  -0.810  -3.768  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.998  -0.573  -5.231  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.844   0.271  -5.692  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.775  -1.469  -3.129  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.401  -0.127  -3.175  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.090  -1.822  -3.493  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.946  -0.067  -5.413  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.031  -1.516  -5.776  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.057   1.336  -5.598  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.598   0.086  -6.738  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.096   0.063  -1.165  1.00  0.32           N
ATOM    581  CA  VAL A  41       8.071   1.010  -0.054  1.00  0.50           C
ATOM    582  C   VAL A  41       9.329   1.874  -0.056  1.00  0.62           C
ATOM    583  O   VAL A  41      10.403   1.417   0.335  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.957   0.300   1.315  1.00  0.68           C
ATOM    585  CG1 VAL A  41       7.985   1.311   2.454  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.691  -0.533   1.390  1.00  1.13           C
ATOM      0  H   VAL A  41       8.093  -0.918  -0.887  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.188   1.633  -0.196  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.816  -0.364   1.417  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.903   0.788   3.407  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.922   1.867   2.424  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       7.149   2.003   2.347  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.634  -1.022   2.362  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.823   0.112   1.257  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.705  -1.288   0.604  1.00  1.13           H   new
ATOM    596  N   ASP A  42       9.189   3.101  -0.536  1.00  0.94           N
ATOM    597  CA  ASP A  42      10.272   4.075  -0.504  1.00  1.29           C
ATOM    598  C   ASP A  42      10.377   4.699   0.875  1.00  1.78           C
ATOM    599  O   ASP A  42      11.263   4.293   1.651  1.00  2.52           O
ATOM    600  CB  ASP A  42      10.054   5.177  -1.544  1.00  2.07           C
ATOM    601  CG  ASP A  42      10.353   4.727  -2.953  1.00  2.59           C
ATOM    602  OD1 ASP A  42      11.548   4.597  -3.295  1.00  3.08           O
ATOM    603  OD2 ASP A  42       9.400   4.499  -3.726  1.00  2.92           O
ATOM    604  OXT ASP A  42       9.553   5.583   1.189  1.00  2.26           O
ATOM      0  H   ASP A  42       8.327   3.449  -0.956  1.00  0.94           H   new
ATOM      0  HA  ASP A  42      11.198   3.550  -0.739  1.00  1.29           H   new
ATOM      0  HB2 ASP A  42       9.021   5.520  -1.490  1.00  2.07           H   new
ATOM      0  HB3 ASP A  42      10.687   6.030  -1.299  1.00  2.07           H   new
TER     609      ASP A  42