USER  MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 333 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   5 GLN     :      amide:sc=       0  X(o=0,f=-0.033)
USER  MOD Single : A   8 THR OG1 :   rot   69:sc=     1.2
USER  MOD Single : A   9 SER OG  :   rot  180:sc=  0.0577
USER  MOD Single : A  12 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  14 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  15 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  18 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  19 TYR OH  :   rot -140:sc=  -0.423
USER  MOD Single : A  21 ASN     :      amide:sc=  -0.049  X(o=-0.049,f=0)
USER  MOD Single : B   1 PHE N   :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : B   3 ASN     :      amide:sc= -0.0264  K(o=-0.026,f=-0.77)
USER  MOD Single : B   4 GLN     :      amide:sc=   0.866  K(o=0.87,f=-6.1!)
USER  MOD Single : B   5 HIS     :     no HD1:sc=  -0.376  K(o=-0.38,f=-1.1)
USER  MOD Single : B   9 SER OG  :   rot  -35:sc=    1.01
USER  MOD Single : B  10 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : B  16 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     10  N   ILE A   2       2.402  -0.558  -3.426  1.00 25.00           N
ATOM     11  CA  ILE A   2       1.679  -0.865  -4.652  1.00 25.00           C
ATOM     12  C   ILE A   2       1.189  -2.327  -4.810  1.00 25.00           C
ATOM     13  O   ILE A   2       0.088  -2.560  -5.267  1.00 25.00           O
ATOM     14  CB  ILE A   2       2.569  -0.438  -5.861  1.00 25.00           C
ATOM     15  CG1 ILE A   2       1.915  -0.815  -7.207  1.00 25.00           C
ATOM     16  CG2 ILE A   2       4.006  -1.026  -5.729  1.00 25.00           C
ATOM     17  CD1 ILE A   2       2.606  -0.221  -8.430  1.00 25.00           C
ATOM      0  HA  ILE A   2       0.750  -0.297  -4.609  1.00 25.00           H   new
ATOM      0  HB  ILE A   2       2.656   0.648  -5.845  1.00 25.00           H   new
ATOM      0 HG12 ILE A   2       1.906  -1.901  -7.301  1.00 25.00           H   new
ATOM      0 HG13 ILE A   2       0.876  -0.487  -7.197  1.00 25.00           H   new
ATOM      0 HG21 ILE A   2       4.607  -0.714  -6.583  1.00 25.00           H   new
ATOM      0 HG22 ILE A   2       4.465  -0.661  -4.810  1.00 25.00           H   new
ATOM      0 HG23 ILE A   2       3.953  -2.114  -5.701  1.00 25.00           H   new
ATOM      0 HD11 ILE A   2       2.082  -0.536  -9.333  1.00 25.00           H   new
ATOM      0 HD12 ILE A   2       2.592   0.867  -8.363  1.00 25.00           H   new
ATOM      0 HD13 ILE A   2       3.638  -0.569  -8.469  1.00 25.00           H   new
ATOM     29  N   VAL A   3       2.006  -3.301  -4.457  1.00 25.00           N
ATOM     30  CA  VAL A   3       1.730  -4.722  -4.799  1.00 25.00           C
ATOM     31  C   VAL A   3       0.378  -5.233  -4.280  1.00 25.00           C
ATOM     32  O   VAL A   3      -0.448  -5.629  -5.053  1.00 25.00           O
ATOM     33  CB  VAL A   3       2.866  -5.660  -4.297  1.00 25.00           C
ATOM     34  CG1 VAL A   3       2.673  -7.104  -4.785  1.00 25.00           C
ATOM     35  CG2 VAL A   3       4.269  -5.144  -4.765  1.00 25.00           C
ATOM      0  H   VAL A   3       2.870  -3.156  -3.934  1.00 25.00           H   new
ATOM      0  HA  VAL A   3       1.687  -4.746  -5.888  1.00 25.00           H   new
ATOM      0  HB  VAL A   3       2.819  -5.651  -3.208  1.00 25.00           H   new
ATOM      0 HG11 VAL A   3       3.487  -7.726  -4.413  1.00 25.00           H   new
ATOM      0 HG12 VAL A   3       1.723  -7.489  -4.414  1.00 25.00           H   new
ATOM      0 HG13 VAL A   3       2.672  -7.123  -5.875  1.00 25.00           H   new
ATOM      0 HG21 VAL A   3       5.045  -5.818  -4.401  1.00 25.00           H   new
ATOM      0 HG22 VAL A   3       4.300  -5.111  -5.854  1.00 25.00           H   new
ATOM      0 HG23 VAL A   3       4.440  -4.144  -4.366  1.00 25.00           H   new
ATOM     45  N   GLU A   4       0.145  -5.139  -2.965  1.00 25.00           N
ATOM     46  CA  GLU A   4      -1.099  -5.609  -2.367  1.00 25.00           C
ATOM     47  C   GLU A   4      -2.268  -4.801  -2.908  1.00 25.00           C
ATOM     48  O   GLU A   4      -3.301  -5.367  -3.250  1.00 25.00           O
ATOM     49  CB  GLU A   4      -1.029  -5.449  -0.859  1.00 25.00           C
ATOM     50  CG  GLU A   4      -2.216  -6.016  -0.070  1.00 25.00           C
ATOM     51  CD  GLU A   4      -1.966  -5.895   1.433  1.00 25.00           C
ATOM     52  OE1 GLU A   4      -1.850  -4.767   1.902  1.00 25.00           O
ATOM     53  OE2 GLU A   4      -1.825  -6.942   2.107  1.00 25.00           O
ATOM      0  H   GLU A   4       0.806  -4.740  -2.299  1.00 25.00           H   new
ATOM      0  HA  GLU A   4      -1.242  -6.660  -2.616  1.00 25.00           H   new
ATOM      0  HB2 GLU A   4      -0.118  -5.931  -0.504  1.00 25.00           H   new
ATOM      0  HB3 GLU A   4      -0.939  -4.387  -0.629  1.00 25.00           H   new
ATOM      0  HG2 GLU A   4      -3.127  -5.481  -0.337  1.00 25.00           H   new
ATOM      0  HG3 GLU A   4      -2.371  -7.062  -0.336  1.00 25.00           H   new
ATOM     60  N   GLN A   5      -2.072  -3.505  -3.032  1.00 25.00           N
ATOM     61  CA  GLN A   5      -3.118  -2.577  -3.538  1.00 25.00           C
ATOM     62  C   GLN A   5      -3.602  -2.936  -4.950  1.00 25.00           C
ATOM     63  O   GLN A   5      -4.777  -2.764  -5.266  1.00 25.00           O
ATOM     64  CB  GLN A   5      -2.506  -1.188  -3.555  1.00 25.00           C
ATOM     65  CG  GLN A   5      -3.528  -0.067  -3.695  1.00 25.00           C
ATOM     66  CD  GLN A   5      -4.252   0.208  -2.412  1.00 25.00           C
ATOM     67  OE1 GLN A   5      -5.210  -0.414  -2.080  1.00 25.00           O
ATOM     68  NE2 GLN A   5      -3.797   1.178  -1.697  1.00 25.00           N
ATOM      0  H   GLN A   5      -1.194  -3.045  -2.792  1.00 25.00           H   new
ATOM      0  HA  GLN A   5      -3.990  -2.640  -2.887  1.00 25.00           H   new
ATOM      0  HB2 GLN A   5      -1.941  -1.039  -2.635  1.00 25.00           H   new
ATOM      0  HB3 GLN A   5      -1.796  -1.124  -4.379  1.00 25.00           H   new
ATOM      0  HG2 GLN A   5      -3.024   0.841  -4.027  1.00 25.00           H   new
ATOM      0  HG3 GLN A   5      -4.250  -0.332  -4.467  1.00 25.00           H   new
ATOM      0 HE21 GLN A   5      -2.974   1.696  -2.004  1.00 25.00           H   new
ATOM      0 HE22 GLN A   5      -4.260   1.429  -0.823  1.00 25.00           H   new
ATOM     77  N   CYS A   6      -2.691  -3.418  -5.774  1.00 25.00           N
ATOM     78  CA  CYS A   6      -3.019  -3.867  -7.089  1.00 25.00           C
ATOM     79  C   CYS A   6      -3.753  -5.212  -7.005  1.00 25.00           C
ATOM     80  O   CYS A   6      -4.783  -5.372  -7.565  1.00 25.00           O
ATOM     81  CB  CYS A   6      -1.720  -3.965  -7.939  1.00 25.00           C
ATOM     82  SG  CYS A   6      -1.939  -3.801  -9.727  1.00 25.00           S
ATOM      0  H   CYS A   6      -1.703  -3.504  -5.537  1.00 25.00           H   new
ATOM      0  HA  CYS A   6      -3.686  -3.156  -7.577  1.00 25.00           H   new
ATOM      0  HB2 CYS A   6      -1.029  -3.192  -7.604  1.00 25.00           H   new
ATOM      0  HB3 CYS A   6      -1.246  -4.926  -7.736  1.00 25.00           H   new
ATOM     87  N   CYS A   7      -3.107  -6.157  -6.331  1.00 25.00           N
ATOM     88  CA  CYS A   7      -3.519  -7.545  -6.325  1.00 25.00           C
ATOM     89  C   CYS A   7      -4.805  -7.890  -5.606  1.00 25.00           C
ATOM     90  O   CYS A   7      -5.497  -8.850  -5.950  1.00 25.00           O
ATOM     91  CB  CYS A   7      -2.435  -8.399  -5.658  1.00 25.00           C
ATOM     92  SG  CYS A   7      -0.983  -8.732  -6.714  1.00 25.00           S
ATOM      0  H   CYS A   7      -2.275  -5.973  -5.770  1.00 25.00           H   new
ATOM      0  HA  CYS A   7      -3.685  -7.748  -7.383  1.00 25.00           H   new
ATOM      0  HB2 CYS A   7      -2.101  -7.897  -4.750  1.00 25.00           H   new
ATOM      0  HB3 CYS A   7      -2.874  -9.349  -5.354  1.00 25.00           H   new
ATOM     97  N   THR A   8      -5.167  -7.140  -4.581  1.00 25.00           N
ATOM     98  CA  THR A   8      -6.398  -7.442  -3.779  1.00 25.00           C
ATOM     99  C   THR A   8      -7.633  -7.032  -4.597  1.00 25.00           C
ATOM    100  O   THR A   8      -8.736  -6.929  -4.067  1.00 25.00           O
ATOM    101  CB  THR A   8      -6.369  -6.714  -2.390  1.00 25.00           C
ATOM    102  OG1 THR A   8      -5.048  -6.814  -1.803  1.00 25.00           O
ATOM    103  CG2 THR A   8      -7.352  -7.354  -1.339  1.00 25.00           C
ATOM      0  H   THR A   8      -4.650  -6.319  -4.265  1.00 25.00           H   new
ATOM      0  HA  THR A   8      -6.439  -8.511  -3.571  1.00 25.00           H   new
ATOM      0  HB  THR A   8      -6.664  -5.685  -2.595  1.00 25.00           H   new
ATOM      0  HG1 THR A   8      -4.417  -6.275  -2.324  1.00 25.00           H   new
ATOM      0 HG21 THR A   8      -7.286  -6.806  -0.399  1.00 25.00           H   new
ATOM      0 HG22 THR A   8      -8.373  -7.303  -1.718  1.00 25.00           H   new
ATOM      0 HG23 THR A   8      -7.078  -8.396  -1.172  1.00 25.00           H   new
ATOM    111  N   SER A   9      -7.422  -6.823  -5.898  1.00 25.00           N
ATOM    112  CA  SER A   9      -8.463  -6.366  -6.853  1.00 25.00           C
ATOM    113  C   SER A   9      -7.926  -6.554  -8.254  1.00 25.00           C
ATOM    114  O   SER A   9      -6.938  -7.225  -8.426  1.00 25.00           O
ATOM    115  CB  SER A   9      -8.839  -4.917  -6.585  1.00 25.00           C
ATOM    116  OG  SER A   9     -10.106  -4.580  -7.174  1.00 25.00           O
ATOM      0  H   SER A   9      -6.512  -6.966  -6.336  1.00 25.00           H   new
ATOM      0  HA  SER A   9      -9.374  -6.952  -6.732  1.00 25.00           H   new
ATOM      0  HB2 SER A   9      -8.880  -4.744  -5.510  1.00 25.00           H   new
ATOM      0  HB3 SER A   9      -8.066  -4.260  -6.984  1.00 25.00           H   new
ATOM      0  HG  SER A   9     -10.317  -3.643  -6.981  1.00 25.00           H   new
ATOM    122  N   ILE A  10      -8.597  -5.989  -9.278  1.00 25.00           N
ATOM    123  CA  ILE A  10      -8.136  -6.133 -10.656  1.00 25.00           C
ATOM    124  C   ILE A  10      -7.157  -5.045 -11.027  1.00 25.00           C
ATOM    125  O   ILE A  10      -7.565  -3.873 -11.050  1.00 25.00           O
ATOM    126  CB  ILE A  10      -9.330  -6.097 -11.632  1.00 25.00           C
ATOM    127  CG1 ILE A  10     -10.406  -7.161 -11.256  1.00 25.00           C
ATOM    128  CG2 ILE A  10      -8.853  -6.327 -13.084  1.00 25.00           C
ATOM    129  CD1 ILE A  10      -9.978  -8.607 -11.438  1.00 25.00           C
ATOM      0  H   ILE A  10      -9.448  -5.437  -9.170  1.00 25.00           H   new
ATOM      0  HA  ILE A  10      -7.631  -7.096 -10.731  1.00 25.00           H   new
ATOM      0  HB  ILE A  10      -9.784  -5.109 -11.556  1.00 25.00           H   new
ATOM      0 HG12 ILE A  10     -10.693  -7.012 -10.215  1.00 25.00           H   new
ATOM      0 HG13 ILE A  10     -11.296  -6.984 -11.860  1.00 25.00           H   new
ATOM      0 HG21 ILE A  10      -9.710  -6.298 -13.757  1.00 25.00           H   new
ATOM      0 HG22 ILE A  10      -8.146  -5.546 -13.363  1.00 25.00           H   new
ATOM      0 HG23 ILE A  10      -8.367  -7.300 -13.157  1.00 25.00           H   new
ATOM      0 HD11 ILE A  10     -10.796  -9.268 -11.150  1.00 25.00           H   new
ATOM      0 HD12 ILE A  10      -9.722  -8.782 -12.483  1.00 25.00           H   new
ATOM      0 HD13 ILE A  10      -9.109  -8.811 -10.812  1.00 25.00           H   new
ATOM    141  N   CYS A  11      -5.936  -5.400 -11.370  1.00 25.00           N
ATOM    142  CA  CYS A  11      -4.938  -4.428 -11.854  1.00 25.00           C
ATOM    143  C   CYS A  11      -5.261  -3.914 -13.264  1.00 25.00           C
ATOM    144  O   CYS A  11      -5.502  -4.715 -14.187  1.00 25.00           O
ATOM    145  CB  CYS A  11      -3.586  -5.104 -11.924  1.00 25.00           C
ATOM    146  SG  CYS A  11      -2.899  -5.495 -10.287  1.00 25.00           S
ATOM      0  H   CYS A  11      -5.595  -6.360 -11.327  1.00 25.00           H   new
ATOM      0  HA  CYS A  11      -4.945  -3.587 -11.160  1.00 25.00           H   new
ATOM      0  HB2 CYS A  11      -3.676  -6.023 -12.503  1.00 25.00           H   new
ATOM      0  HB3 CYS A  11      -2.890  -4.457 -12.458  1.00 25.00           H   new
ATOM    151  N   SER A  12      -5.192  -2.590 -13.435  1.00 25.00           N
ATOM    152  CA  SER A  12      -5.448  -1.982 -14.730  1.00 25.00           C
ATOM    153  C   SER A  12      -4.134  -1.841 -15.458  1.00 25.00           C
ATOM    154  O   SER A  12      -3.080  -1.844 -14.827  1.00 25.00           O
ATOM    155  CB  SER A  12      -6.034  -0.581 -14.567  1.00 25.00           C
ATOM    156  OG  SER A  12      -7.198  -0.592 -13.755  1.00 25.00           O
ATOM      0  H   SER A  12      -4.962  -1.928 -12.694  1.00 25.00           H   new
ATOM      0  HA  SER A  12      -6.151  -2.610 -15.276  1.00 25.00           H   new
ATOM      0  HB2 SER A  12      -5.287   0.077 -14.124  1.00 25.00           H   new
ATOM      0  HB3 SER A  12      -6.278  -0.172 -15.547  1.00 25.00           H   new
ATOM      0  HG  SER A  12      -7.546   0.320 -13.670  1.00 25.00           H   new
ATOM    162  N   LEU A  13      -4.171  -1.653 -16.767  1.00 25.00           N
ATOM    163  CA  LEU A  13      -2.949  -1.585 -17.558  1.00 25.00           C
ATOM    164  C   LEU A  13      -1.948  -0.515 -17.120  1.00 25.00           C
ATOM    165  O   LEU A  13      -0.761  -0.774 -17.048  1.00 25.00           O
ATOM    166  CB  LEU A  13      -3.301  -1.355 -19.038  1.00 25.00           C
ATOM    167  CG  LEU A  13      -2.121  -1.414 -20.011  1.00 25.00           C
ATOM    168  CD1 LEU A  13      -1.352  -2.723 -19.882  1.00 25.00           C
ATOM    169  CD2 LEU A  13      -2.609  -1.227 -21.457  1.00 25.00           C
ATOM      0  H   LEU A  13      -5.031  -1.545 -17.305  1.00 25.00           H   new
ATOM      0  HA  LEU A  13      -2.456  -2.544 -17.399  1.00 25.00           H   new
ATOM      0  HB2 LEU A  13      -4.036  -2.102 -19.339  1.00 25.00           H   new
ATOM      0  HB3 LEU A  13      -3.780  -0.380 -19.133  1.00 25.00           H   new
ATOM      0  HG  LEU A  13      -1.442  -0.601 -19.755  1.00 25.00           H   new
ATOM      0 HD11 LEU A  13      -0.522  -2.728 -20.588  1.00 25.00           H   new
ATOM      0 HD12 LEU A  13      -0.966  -2.820 -18.867  1.00 25.00           H   new
ATOM      0 HD13 LEU A  13      -2.018  -3.559 -20.098  1.00 25.00           H   new
ATOM      0 HD21 LEU A  13      -1.758  -1.271 -22.137  1.00 25.00           H   new
ATOM      0 HD22 LEU A  13      -3.316  -2.018 -21.708  1.00 25.00           H   new
ATOM      0 HD23 LEU A  13      -3.100  -0.259 -21.553  1.00 25.00           H   new
ATOM    181  N   TYR A  14      -2.436   0.685 -16.784  1.00 25.00           N
ATOM    182  CA  TYR A  14      -1.563   1.792 -16.326  1.00 25.00           C
ATOM    183  C   TYR A  14      -1.028   1.517 -14.943  1.00 25.00           C
ATOM    184  O   TYR A  14       0.129   1.859 -14.651  1.00 25.00           O
ATOM    185  CB  TYR A  14      -2.307   3.143 -16.329  1.00 25.00           C
ATOM    186  CG  TYR A  14      -3.797   3.022 -16.136  1.00 25.00           C
ATOM    187  CD1 TYR A  14      -4.631   2.864 -17.239  1.00 25.00           C
ATOM    188  CD2 TYR A  14      -4.376   3.076 -14.845  1.00 25.00           C
ATOM    189  CE1 TYR A  14      -6.055   2.779 -17.098  1.00 25.00           C
ATOM    190  CE2 TYR A  14      -5.804   2.981 -14.684  1.00 25.00           C
ATOM    191  CZ  TYR A  14      -6.620   2.858 -15.821  1.00 25.00           C
ATOM    192  OH  TYR A  14      -7.989   2.808 -15.684  1.00 25.00           O
ATOM      0  H   TYR A  14      -3.428   0.922 -16.818  1.00 25.00           H   new
ATOM      0  HA  TYR A  14      -0.732   1.854 -17.029  1.00 25.00           H   new
ATOM      0  HB2 TYR A  14      -1.898   3.773 -15.539  1.00 25.00           H   new
ATOM      0  HB3 TYR A  14      -2.113   3.651 -17.274  1.00 25.00           H   new
ATOM      0  HD1 TYR A  14      -4.195   2.804 -18.225  1.00 25.00           H   new
ATOM      0  HD2 TYR A  14      -3.744   3.189 -13.977  1.00 25.00           H   new
ATOM      0  HE1 TYR A  14      -6.684   2.655 -17.967  1.00 25.00           H   new
ATOM      0  HE2 TYR A  14      -6.244   3.004 -13.698  1.00 25.00           H   new
ATOM      0  HH  TYR A  14      -8.225   2.874 -14.735  1.00 25.00           H   new
ATOM    202  N   GLN A  15      -1.805   0.895 -14.087  1.00 25.00           N
ATOM    203  CA  GLN A  15      -1.302   0.597 -12.735  1.00 25.00           C
ATOM    204  C   GLN A  15      -0.210  -0.478 -12.854  1.00 25.00           C
ATOM    205  O   GLN A  15       0.752  -0.462 -12.104  1.00 25.00           O
ATOM    206  CB  GLN A  15      -2.440   0.075 -11.843  1.00 25.00           C
ATOM    207  CG  GLN A  15      -3.549   1.104 -11.616  1.00 25.00           C
ATOM    208  CD  GLN A  15      -3.589   1.717 -10.204  1.00 25.00           C
ATOM    209  OE1 GLN A  15      -3.095   2.794  -9.976  1.00 25.00           O
ATOM    210  NE2 GLN A  15      -4.205   1.039  -9.303  1.00 25.00           N
ATOM      0  H   GLN A  15      -2.759   0.588 -14.277  1.00 25.00           H   new
ATOM      0  HA  GLN A  15      -0.899   1.504 -12.285  1.00 25.00           H   new
ATOM      0  HB2 GLN A  15      -2.869  -0.818 -12.298  1.00 25.00           H   new
ATOM      0  HB3 GLN A  15      -2.029  -0.225 -10.879  1.00 25.00           H   new
ATOM      0  HG2 GLN A  15      -3.431   1.909 -12.342  1.00 25.00           H   new
ATOM      0  HG3 GLN A  15      -4.510   0.631 -11.818  1.00 25.00           H   new
ATOM      0 HE21 GLN A  15      -4.609   0.132  -9.535  1.00 25.00           H   new
ATOM      0 HE22 GLN A  15      -4.290   1.408  -8.356  1.00 25.00           H   new
ATOM    219  N   LEU A  16      -0.354  -1.375 -13.846  1.00 25.00           N
ATOM    220  CA  LEU A  16       0.661  -2.371 -14.123  1.00 25.00           C
ATOM    221  C   LEU A  16       1.911  -1.672 -14.706  1.00 25.00           C
ATOM    222  O   LEU A  16       3.052  -1.958 -14.291  1.00 25.00           O
ATOM    223  CB  LEU A  16       0.112  -3.410 -15.110  1.00 25.00           C
ATOM    224  CG  LEU A  16       0.904  -4.693 -15.350  1.00 25.00           C
ATOM    225  CD1 LEU A  16       0.002  -5.629 -16.176  1.00 25.00           C
ATOM    226  CD2 LEU A  16       2.192  -4.494 -16.066  1.00 25.00           C
ATOM      0  H   LEU A  16      -1.167  -1.419 -14.460  1.00 25.00           H   new
ATOM      0  HA  LEU A  16       0.939  -2.885 -13.202  1.00 25.00           H   new
ATOM      0  HB2 LEU A  16      -0.882  -3.696 -14.767  1.00 25.00           H   new
ATOM      0  HB3 LEU A  16      -0.013  -2.915 -16.073  1.00 25.00           H   new
ATOM      0  HG  LEU A  16       1.173  -5.107 -14.378  1.00 25.00           H   new
ATOM      0 HD11 LEU A  16       0.529  -6.563 -16.372  1.00 25.00           H   new
ATOM      0 HD12 LEU A  16      -0.912  -5.838 -15.620  1.00 25.00           H   new
ATOM      0 HD13 LEU A  16      -0.251  -5.149 -17.122  1.00 25.00           H   new
ATOM      0 HD21 LEU A  16       2.689  -5.455 -16.194  1.00 25.00           H   new
ATOM      0 HD22 LEU A  16       2.000  -4.051 -17.043  1.00 25.00           H   new
ATOM      0 HD23 LEU A  16       2.832  -3.829 -15.486  1.00 25.00           H   new
ATOM    238  N   GLU A  17       1.698  -0.741 -15.624  1.00 25.00           N
ATOM    239  CA  GLU A  17       2.797  -0.012 -16.271  1.00 25.00           C
ATOM    240  C   GLU A  17       3.622   0.717 -15.223  1.00 25.00           C
ATOM    241  O   GLU A  17       4.820   0.882 -15.375  1.00 25.00           O
ATOM    242  CB  GLU A  17       2.327   0.989 -17.309  1.00 25.00           C
ATOM    243  CG  GLU A  17       1.949   0.374 -18.678  1.00 25.00           C
ATOM    244  CD  GLU A  17       3.152   0.201 -19.614  1.00 25.00           C
ATOM    245  OE1 GLU A  17       4.135  -0.411 -19.183  1.00 25.00           O
ATOM    246  OE2 GLU A  17       3.079   0.669 -20.759  1.00 25.00           O
ATOM      0  H   GLU A  17       0.770  -0.466 -15.945  1.00 25.00           H   new
ATOM      0  HA  GLU A  17       3.396  -0.760 -16.789  1.00 25.00           H   new
ATOM      0  HB2 GLU A  17       1.462   1.522 -16.914  1.00 25.00           H   new
ATOM      0  HB3 GLU A  17       3.113   1.728 -17.463  1.00 25.00           H   new
ATOM      0  HG2 GLU A  17       1.480  -0.596 -18.516  1.00 25.00           H   new
ATOM      0  HG3 GLU A  17       1.208   1.010 -19.163  1.00 25.00           H   new
ATOM    253  N   ASN A  18       2.991   1.123 -14.130  1.00 25.00           N
ATOM    254  CA  ASN A  18       3.703   1.793 -13.024  1.00 25.00           C
ATOM    255  C   ASN A  18       4.840   0.936 -12.356  1.00 25.00           C
ATOM    256  O   ASN A  18       5.688   1.444 -11.601  1.00 25.00           O
ATOM    257  CB  ASN A  18       2.649   2.227 -11.974  1.00 25.00           C
ATOM    258  CG  ASN A  18       3.087   3.428 -11.178  1.00 25.00           C
ATOM    259  OD1 ASN A  18       3.730   3.286 -10.162  1.00 25.00           O
ATOM    260  ND2 ASN A  18       2.677   4.606 -11.561  1.00 25.00           N
ATOM      0  H   ASN A  18       1.990   1.006 -13.975  1.00 25.00           H   new
ATOM      0  HA  ASN A  18       4.227   2.651 -13.445  1.00 25.00           H   new
ATOM      0  HB2 ASN A  18       1.710   2.453 -12.479  1.00 25.00           H   new
ATOM      0  HB3 ASN A  18       2.454   1.397 -11.295  1.00 25.00           H   new
ATOM      0 HD21 ASN A  18       2.897   5.430 -11.001  1.00 25.00           H   new
ATOM      0 HD22 ASN A  18       2.136   4.703 -12.421  1.00 25.00           H   new
ATOM    267  N   TYR A  19       4.787  -0.362 -12.593  1.00 25.00           N
ATOM    268  CA  TYR A  19       5.813  -1.272 -12.046  1.00 25.00           C
ATOM    269  C   TYR A  19       7.045  -1.278 -12.923  1.00 25.00           C
ATOM    270  O   TYR A  19       8.084  -1.787 -12.509  1.00 25.00           O
ATOM    271  CB  TYR A  19       5.366  -2.753 -12.060  1.00 25.00           C
ATOM    272  CG  TYR A  19       4.352  -3.148 -11.037  1.00 25.00           C
ATOM    273  CD1 TYR A  19       4.649  -3.149  -9.661  1.00 25.00           C
ATOM    274  CD2 TYR A  19       3.068  -3.592 -11.444  1.00 25.00           C
ATOM    275  CE1 TYR A  19       3.683  -3.563  -8.694  1.00 25.00           C
ATOM    276  CE2 TYR A  19       2.102  -3.992 -10.502  1.00 25.00           C
ATOM    277  CZ  TYR A  19       2.414  -3.984  -9.121  1.00 25.00           C
ATOM    278  OH  TYR A  19       1.475  -4.354  -8.203  1.00 25.00           O
ATOM      0  H   TYR A  19       4.063  -0.817 -13.149  1.00 25.00           H   new
ATOM      0  HA  TYR A  19       5.991  -0.908 -11.034  1.00 25.00           H   new
ATOM      0  HB2 TYR A  19       4.962  -2.979 -13.047  1.00 25.00           H   new
ATOM      0  HB3 TYR A  19       6.249  -3.378 -11.926  1.00 25.00           H   new
ATOM      0  HD1 TYR A  19       5.626  -2.830  -9.330  1.00 25.00           H   new
ATOM      0  HD2 TYR A  19       2.827  -3.624 -12.496  1.00 25.00           H   new
ATOM      0  HE1 TYR A  19       3.927  -3.552  -7.642  1.00 25.00           H   new
ATOM      0  HE2 TYR A  19       1.123  -4.305 -10.833  1.00 25.00           H   new
ATOM      0  HH  TYR A  19       0.986  -5.137  -8.532  1.00 25.00           H   new
ATOM    288  N   CYS A  20       6.873  -0.860 -14.176  1.00 25.00           N
ATOM    289  CA  CYS A  20       7.900  -1.006 -15.161  1.00 25.00           C
ATOM    290  C   CYS A  20       8.702   0.291 -15.287  1.00 25.00           C
ATOM    291  O   CYS A  20       8.256   1.347 -14.863  1.00 25.00           O
ATOM    292  CB  CYS A  20       7.268  -1.442 -16.478  1.00 25.00           C
ATOM    293  SG  CYS A  20       8.338  -2.616 -17.396  1.00 25.00           S
ATOM      0  H   CYS A  20       6.020  -0.417 -14.518  1.00 25.00           H   new
ATOM      0  HA  CYS A  20       8.608  -1.778 -14.861  1.00 25.00           H   new
ATOM      0  HB2 CYS A  20       6.303  -1.909 -16.280  1.00 25.00           H   new
ATOM      0  HB3 CYS A  20       7.077  -0.565 -17.097  1.00 25.00           H   new
ATOM    298  N   ASN A  21       9.924   0.171 -15.822  1.00 25.00           N
ATOM    299  CA  ASN A  21      10.814   1.335 -15.970  1.00 25.00           C
ATOM    300  C   ASN A  21      10.640   1.928 -17.360  1.00 25.00           C
ATOM    301  O   ASN A  21      11.265   2.964 -17.661  1.00 25.00           O
ATOM    302  CB  ASN A  21      12.293   0.972 -15.732  1.00 25.00           C
ATOM    303  CG  ASN A  21      12.889   0.099 -16.789  1.00 25.00           C
ATOM    304  OD1 ASN A  21      13.597   0.563 -17.681  1.00 25.00           O
ATOM    305  ND2 ASN A  21      12.692  -1.184 -16.674  1.00 25.00           N
ATOM    306  OXT ASN A  21       9.893   1.322 -18.129  1.00 25.00           O
ATOM      0  H   ASN A  21      10.318  -0.708 -16.157  1.00 25.00           H   new
ATOM      0  HA  ASN A  21      10.537   2.067 -15.212  1.00 25.00           H   new
ATOM      0  HB2 ASN A  21      12.875   1.891 -15.666  1.00 25.00           H   new
ATOM      0  HB3 ASN A  21      12.381   0.469 -14.769  1.00 25.00           H   new
ATOM      0 HD21 ASN A  21      13.130  -1.828 -17.333  1.00 25.00           H   new
ATOM      0 HD22 ASN A  21      12.100  -1.544 -15.925  1.00 25.00           H   new
ATOM    314  N   PHE B   1      -2.189  -8.592 -22.823  1.00 25.00           N
ATOM    315  CA  PHE B   1      -2.291  -8.490 -21.354  1.00 25.00           C
ATOM    316  C   PHE B   1      -3.529  -9.228 -20.825  1.00 25.00           C
ATOM    317  O   PHE B   1      -3.383 -10.310 -20.324  1.00 25.00           O
ATOM    318  CB  PHE B   1      -2.346  -7.048 -20.871  1.00 25.00           C
ATOM    319  CG  PHE B   1      -2.608  -6.924 -19.388  1.00 25.00           C
ATOM    320  CD1 PHE B   1      -2.056  -7.858 -18.442  1.00 25.00           C
ATOM    321  CD2 PHE B   1      -3.455  -5.903 -18.943  1.00 25.00           C
ATOM    322  CE1 PHE B   1      -2.361  -7.767 -17.098  1.00 25.00           C
ATOM    323  CE2 PHE B   1      -3.761  -5.802 -17.592  1.00 25.00           C
ATOM    324  CZ  PHE B   1      -3.211  -6.765 -16.646  1.00 25.00           C
ATOM      0  H1  PHE B   1      -1.342  -8.083 -23.148  1.00 25.00           H   new
ATOM      0  H2  PHE B   1      -2.118  -9.593 -23.097  1.00 25.00           H   new
ATOM      0  H3  PHE B   1      -3.034  -8.172 -23.260  1.00 25.00           H   new
ATOM      0  HA  PHE B   1      -1.386  -8.956 -20.964  1.00 25.00           H   new
ATOM      0  HB2 PHE B   1      -1.403  -6.556 -21.109  1.00 25.00           H   new
ATOM      0  HB3 PHE B   1      -3.127  -6.519 -21.416  1.00 25.00           H   new
ATOM      0  HD1 PHE B   1      -1.395  -8.639 -18.787  1.00 25.00           H   new
ATOM      0  HD2 PHE B   1      -3.869  -5.196 -19.647  1.00 25.00           H   new
ATOM      0  HE1 PHE B   1      -1.939  -8.474 -16.399  1.00 25.00           H   new
ATOM      0  HE2 PHE B   1      -4.407  -5.010 -17.242  1.00 25.00           H   new
ATOM      0  HZ  PHE B   1      -3.463  -6.700 -15.598  1.00 25.00           H   new
ATOM    336  N   VAL B   2      -4.729  -8.611 -20.936  1.00 25.00           N
ATOM    337  CA  VAL B   2      -6.003  -9.094 -20.344  1.00 25.00           C
ATOM    338  C   VAL B   2      -5.925  -8.954 -18.811  1.00 25.00           C
ATOM    339  O   VAL B   2      -5.001  -9.409 -18.165  1.00 25.00           O
ATOM    340  CB  VAL B   2      -6.427 -10.506 -20.805  1.00 25.00           C
ATOM    341  CG1 VAL B   2      -7.827 -10.861 -20.260  1.00 25.00           C
ATOM    342  CG2 VAL B   2      -6.427 -10.601 -22.345  1.00 25.00           C
ATOM      0  H   VAL B   2      -4.843  -7.739 -21.454  1.00 25.00           H   new
ATOM      0  HA  VAL B   2      -6.807  -8.462 -20.722  1.00 25.00           H   new
ATOM      0  HB  VAL B   2      -5.703 -11.218 -20.408  1.00 25.00           H   new
ATOM      0 HG11 VAL B   2      -8.106 -11.859 -20.597  1.00 25.00           H   new
ATOM      0 HG12 VAL B   2      -7.810 -10.837 -19.170  1.00 25.00           H   new
ATOM      0 HG13 VAL B   2      -8.555 -10.138 -20.628  1.00 25.00           H   new
ATOM      0 HG21 VAL B   2      -6.729 -11.604 -22.648  1.00 25.00           H   new
ATOM      0 HG22 VAL B   2      -7.127  -9.873 -22.754  1.00 25.00           H   new
ATOM      0 HG23 VAL B   2      -5.426 -10.394 -22.722  1.00 25.00           H   new
ATOM    352  N   ASN B   3      -6.891  -8.237 -18.242  1.00 25.00           N
ATOM    353  CA  ASN B   3      -6.857  -7.892 -16.802  1.00 25.00           C
ATOM    354  C   ASN B   3      -7.144  -9.103 -15.878  1.00 25.00           C
ATOM    355  O   ASN B   3      -7.836 -10.036 -16.255  1.00 25.00           O
ATOM    356  CB  ASN B   3      -7.865  -6.768 -16.504  1.00 25.00           C
ATOM    357  CG  ASN B   3      -9.296  -7.209 -16.676  1.00 25.00           C
ATOM    358  OD1 ASN B   3      -9.854  -7.832 -15.823  1.00 25.00           O
ATOM    359  ND2 ASN B   3      -9.887  -6.848 -17.775  1.00 25.00           N
ATOM      0  H   ASN B   3      -7.706  -7.881 -18.742  1.00 25.00           H   new
ATOM      0  HA  ASN B   3      -5.842  -7.558 -16.587  1.00 25.00           H   new
ATOM      0  HB2 ASN B   3      -7.718  -6.415 -15.483  1.00 25.00           H   new
ATOM      0  HB3 ASN B   3      -7.667  -5.924 -17.165  1.00 25.00           H   new
ATOM      0 HD21 ASN B   3     -10.863  -7.096 -17.934  1.00 25.00           H   new
ATOM      0 HD22 ASN B   3      -9.375  -6.316 -18.479  1.00 25.00           H   new
ATOM    366  N   GLN B   4      -6.577  -9.056 -14.691  1.00 25.00           N
ATOM    367  CA  GLN B   4      -6.668 -10.138 -13.710  1.00 25.00           C
ATOM    368  C   GLN B   4      -6.329  -9.576 -12.306  1.00 25.00           C
ATOM    369  O   GLN B   4      -5.908  -8.401 -12.188  1.00 25.00           O
ATOM    370  CB  GLN B   4      -5.666 -11.284 -14.114  1.00 25.00           C
ATOM    371  CG  GLN B   4      -6.337 -12.617 -14.447  1.00 25.00           C
ATOM    372  CD  GLN B   4      -6.611 -13.503 -13.242  1.00 25.00           C
ATOM    373  OE1 GLN B   4      -7.016 -13.027 -12.200  1.00 25.00           O
ATOM    374  NE2 GLN B   4      -6.414 -14.768 -13.388  1.00 25.00           N
ATOM      0  H   GLN B   4      -6.030  -8.258 -14.368  1.00 25.00           H   new
ATOM      0  HA  GLN B   4      -7.677 -10.550 -13.687  1.00 25.00           H   new
ATOM      0  HB2 GLN B   4      -5.086 -10.957 -14.977  1.00 25.00           H   new
ATOM      0  HB3 GLN B   4      -4.961 -11.439 -13.297  1.00 25.00           H   new
ATOM      0  HG2 GLN B   4      -7.279 -12.418 -14.957  1.00 25.00           H   new
ATOM      0  HG3 GLN B   4      -5.705 -13.163 -15.147  1.00 25.00           H   new
ATOM      0 HE21 GLN B   4      -6.073 -15.132 -14.278  1.00 25.00           H   new
ATOM      0 HE22 GLN B   4      -6.599 -15.406 -12.614  1.00 25.00           H   new
ATOM    383  N   HIS B   5      -6.480 -10.435 -11.296  1.00 25.00           N
ATOM    384  CA  HIS B   5      -6.068 -10.111  -9.907  1.00 25.00           C
ATOM    385  C   HIS B   5      -4.548 -10.255  -9.742  1.00 25.00           C
ATOM    386  O   HIS B   5      -3.944  -9.844  -8.735  1.00 25.00           O
ATOM    387  CB  HIS B   5      -6.733 -11.096  -8.935  1.00 25.00           C
ATOM    388  CG  HIS B   5      -7.990 -10.556  -8.314  1.00 25.00           C
ATOM    389  ND1 HIS B   5      -9.212 -10.541  -8.894  1.00 25.00           N
ATOM    390  CD2 HIS B   5      -8.204 -10.017  -7.090  1.00 25.00           C
ATOM    391  CE1 HIS B   5     -10.086  -9.952  -8.089  1.00 25.00           C
ATOM    392  NE2 HIS B   5      -9.527  -9.638  -6.950  1.00 25.00           N
ATOM      0  H   HIS B   5      -6.884 -11.365 -11.403  1.00 25.00           H   new
ATOM      0  HA  HIS B   5      -6.368  -9.084  -9.697  1.00 25.00           H   new
ATOM      0  HB2 HIS B   5      -6.965 -12.019  -9.466  1.00 25.00           H   new
ATOM      0  HB3 HIS B   5      -6.026 -11.351  -8.146  1.00 25.00           H   new
ATOM      0  HD2 HIS B   5      -7.447  -9.899  -6.329  1.00 25.00           H   new
ATOM      0  HE1 HIS B   5     -11.118  -9.758  -8.340  1.00 25.00           H   new
ATOM      0  HE2 HIS B   5      -9.969  -9.208  -6.137  1.00 25.00           H   new
ATOM    400  N   LEU B   6      -3.938 -10.866 -10.755  1.00 25.00           N
ATOM    401  CA  LEU B   6      -2.477 -11.082 -10.878  1.00 25.00           C
ATOM    402  C   LEU B   6      -1.720 -11.907  -9.821  1.00 25.00           C
ATOM    403  O   LEU B   6      -1.019 -12.829 -10.184  1.00 25.00           O
ATOM    404  CB  LEU B   6      -1.732  -9.731 -11.030  1.00 25.00           C
ATOM    405  CG  LEU B   6      -2.153  -8.727 -12.105  1.00 25.00           C
ATOM    406  CD1 LEU B   6      -1.048  -7.687 -12.293  1.00 25.00           C
ATOM    407  CD2 LEU B   6      -2.428  -9.437 -13.436  1.00 25.00           C
ATOM      0  H   LEU B   6      -4.457 -11.243 -11.548  1.00 25.00           H   new
ATOM      0  HA  LEU B   6      -2.459 -11.717 -11.764  1.00 25.00           H   new
ATOM      0  HB2 LEU B   6      -1.795  -9.219 -10.070  1.00 25.00           H   new
ATOM      0  HB3 LEU B   6      -0.680  -9.961 -11.200  1.00 25.00           H   new
ATOM      0  HG  LEU B   6      -3.070  -8.235 -11.782  1.00 25.00           H   new
ATOM      0 HD11 LEU B   6      -1.348  -6.972 -13.059  1.00 25.00           H   new
ATOM      0 HD12 LEU B   6      -0.879  -7.162 -11.353  1.00 25.00           H   new
ATOM      0 HD13 LEU B   6      -0.129  -8.185 -12.602  1.00 25.00           H   new
ATOM      0 HD21 LEU B   6      -2.726  -8.703 -14.185  1.00 25.00           H   new
ATOM      0 HD22 LEU B   6      -1.525  -9.949 -13.768  1.00 25.00           H   new
ATOM      0 HD23 LEU B   6      -3.229 -10.164 -13.302  1.00 25.00           H   new
ATOM    419  N   CYS B   7      -1.806 -11.585  -8.527  1.00 25.00           N
ATOM    420  CA  CYS B   7      -1.054 -12.335  -7.513  1.00 25.00           C
ATOM    421  C   CYS B   7      -1.482 -13.815  -7.573  1.00 25.00           C
ATOM    422  O   CYS B   7      -2.667 -14.095  -7.736  1.00 25.00           O
ATOM    423  CB  CYS B   7      -1.290 -11.706  -6.123  1.00 25.00           C
ATOM    424  SG  CYS B   7      -0.132 -10.319  -5.773  1.00 25.00           S
ATOM      0  H   CYS B   7      -2.378 -10.824  -8.160  1.00 25.00           H   new
ATOM      0  HA  CYS B   7       0.017 -12.288  -7.707  1.00 25.00           H   new
ATOM      0  HB2 CYS B   7      -2.316 -11.343  -6.061  1.00 25.00           H   new
ATOM      0  HB3 CYS B   7      -1.176 -12.473  -5.357  1.00 25.00           H   new
ATOM    429  N   GLY B   8      -0.522 -14.741  -7.544  1.00 25.00           N
ATOM    430  CA  GLY B   8      -0.823 -16.147  -7.789  1.00 25.00           C
ATOM    431  C   GLY B   8      -0.270 -16.560  -9.146  1.00 25.00           C
ATOM    432  O   GLY B   8      -1.011 -17.085  -9.985  1.00 25.00           O
ATOM      0  H   GLY B   8       0.461 -14.543  -7.355  1.00 25.00           H   new
ATOM      0  HA2 GLY B   8      -0.386 -16.765  -7.004  1.00 25.00           H   new
ATOM      0  HA3 GLY B   8      -1.901 -16.309  -7.760  1.00 25.00           H   new
ATOM    436  N   SER B   9       1.004 -16.284  -9.372  1.00 25.00           N
ATOM    437  CA  SER B   9       1.737 -16.528 -10.657  1.00 25.00           C
ATOM    438  C   SER B   9       1.305 -15.745 -11.928  1.00 25.00           C
ATOM    439  O   SER B   9       2.165 -15.370 -12.737  1.00 25.00           O
ATOM    440  CB  SER B   9       1.875 -18.038 -10.937  1.00 25.00           C
ATOM    441  OG  SER B   9       0.720 -18.686 -11.425  1.00 25.00           O
ATOM      0  H   SER B   9       1.600 -15.868  -8.656  1.00 25.00           H   new
ATOM      0  HA  SER B   9       2.709 -16.079 -10.453  1.00 25.00           H   new
ATOM      0  HB2 SER B   9       2.680 -18.181 -11.658  1.00 25.00           H   new
ATOM      0  HB3 SER B   9       2.182 -18.532 -10.015  1.00 25.00           H   new
ATOM      0  HG  SER B   9      -0.077 -18.283 -11.021  1.00 25.00           H   new
ATOM    447  N   HIS B  10       0.031 -15.383 -12.087  1.00 25.00           N
ATOM    448  CA  HIS B  10      -0.369 -14.533 -13.208  1.00 25.00           C
ATOM    449  C   HIS B  10       0.336 -13.153 -13.264  1.00 25.00           C
ATOM    450  O   HIS B  10       0.331 -12.488 -14.251  1.00 25.00           O
ATOM    451  CB  HIS B  10      -1.881 -14.365 -13.241  1.00 25.00           C
ATOM    452  CG  HIS B  10      -2.656 -15.655 -13.469  1.00 25.00           C
ATOM    453  ND1 HIS B  10      -3.249 -16.407 -12.476  1.00 25.00           N
ATOM    454  CD2 HIS B  10      -2.986 -16.272 -14.661  1.00 25.00           C
ATOM    455  CE1 HIS B  10      -3.905 -17.393 -13.091  1.00 25.00           C
ATOM    456  NE2 HIS B  10      -3.806 -17.359 -14.394  1.00 25.00           N
ATOM      0  H   HIS B  10      -0.729 -15.659 -11.466  1.00 25.00           H   new
ATOM      0  HA  HIS B  10      -0.034 -15.061 -14.101  1.00 25.00           H   new
ATOM      0  HB2 HIS B  10      -2.205 -13.923 -12.299  1.00 25.00           H   new
ATOM      0  HB3 HIS B  10      -2.138 -13.658 -14.030  1.00 25.00           H   new
ATOM      0  HD2 HIS B  10      -2.659 -15.959 -15.641  1.00 25.00           H   new
ATOM      0  HE1 HIS B  10      -4.466 -18.149 -12.561  1.00 25.00           H   new
ATOM      0  HE2 HIS B  10      -4.237 -17.993 -15.067  1.00 25.00           H   new
ATOM    464  N   LEU B  11       0.935 -12.719 -12.167  1.00 25.00           N
ATOM    465  CA  LEU B  11       1.614 -11.404 -12.115  1.00 25.00           C
ATOM    466  C   LEU B  11       2.829 -11.458 -13.002  1.00 25.00           C
ATOM    467  O   LEU B  11       3.167 -10.482 -13.672  1.00 25.00           O
ATOM    468  CB  LEU B  11       2.027 -11.066 -10.665  1.00 25.00           C
ATOM    469  CG  LEU B  11       2.448  -9.603 -10.425  1.00 25.00           C
ATOM    470  CD1 LEU B  11       1.749  -9.092  -9.187  1.00 25.00           C
ATOM    471  CD2 LEU B  11       3.975  -9.377 -10.253  1.00 25.00           C
ATOM      0  H   LEU B  11       0.973 -13.246 -11.294  1.00 25.00           H   new
ATOM      0  HA  LEU B  11       0.934 -10.626 -12.462  1.00 25.00           H   new
ATOM      0  HB2 LEU B  11       1.193 -11.300 -10.003  1.00 25.00           H   new
ATOM      0  HB3 LEU B  11       2.854 -11.716 -10.379  1.00 25.00           H   new
ATOM      0  HG  LEU B  11       2.160  -9.061 -11.326  1.00 25.00           H   new
ATOM      0 HD11 LEU B  11       2.039  -8.057  -9.006  1.00 25.00           H   new
ATOM      0 HD12 LEU B  11       0.670  -9.147  -9.330  1.00 25.00           H   new
ATOM      0 HD13 LEU B  11       2.033  -9.703  -8.330  1.00 25.00           H   new
ATOM      0 HD21 LEU B  11       4.170  -8.317 -10.089  1.00 25.00           H   new
ATOM      0 HD22 LEU B  11       4.333  -9.948  -9.397  1.00 25.00           H   new
ATOM      0 HD23 LEU B  11       4.495  -9.707 -11.152  1.00 25.00           H   new
ATOM    483  N   VAL B  12       3.468 -12.617 -13.049  1.00 25.00           N
ATOM    484  CA  VAL B  12       4.688 -12.795 -13.809  1.00 25.00           C
ATOM    485  C   VAL B  12       4.354 -12.814 -15.296  1.00 25.00           C
ATOM    486  O   VAL B  12       4.998 -12.175 -16.107  1.00 25.00           O
ATOM    487  CB  VAL B  12       5.427 -14.123 -13.386  1.00 25.00           C
ATOM    488  CG1 VAL B  12       6.754 -14.302 -14.148  1.00 25.00           C
ATOM    489  CG2 VAL B  12       5.673 -14.169 -11.857  1.00 25.00           C
ATOM      0  H   VAL B  12       3.154 -13.456 -12.562  1.00 25.00           H   new
ATOM      0  HA  VAL B  12       5.362 -11.964 -13.601  1.00 25.00           H   new
ATOM      0  HB  VAL B  12       4.770 -14.951 -13.653  1.00 25.00           H   new
ATOM      0 HG11 VAL B  12       7.234 -15.227 -13.830  1.00 25.00           H   new
ATOM      0 HG12 VAL B  12       6.556 -14.346 -15.219  1.00 25.00           H   new
ATOM      0 HG13 VAL B  12       7.412 -13.460 -13.935  1.00 25.00           H   new
ATOM      0 HG21 VAL B  12       6.184 -15.097 -11.598  1.00 25.00           H   new
ATOM      0 HG22 VAL B  12       6.290 -13.320 -11.562  1.00 25.00           H   new
ATOM      0 HG23 VAL B  12       4.718 -14.122 -11.333  1.00 25.00           H   new
ATOM    499  N   GLU B  13       3.246 -13.501 -15.621  1.00 25.00           N
ATOM    500  CA  GLU B  13       2.787 -13.596 -16.988  1.00 25.00           C
ATOM    501  C   GLU B  13       2.336 -12.226 -17.511  1.00 25.00           C
ATOM    502  O   GLU B  13       2.659 -11.831 -18.622  1.00 25.00           O
ATOM    503  CB  GLU B  13       1.617 -14.560 -17.073  1.00 25.00           C
ATOM    504  CG  GLU B  13       1.958 -15.967 -16.799  1.00 25.00           C
ATOM    505  CD  GLU B  13       0.766 -16.889 -16.934  1.00 25.00           C
ATOM    506  OE1 GLU B  13      -0.234 -16.611 -16.225  1.00 25.00           O
ATOM    507  OE2 GLU B  13       0.788 -17.790 -17.784  1.00 25.00           O
ATOM      0  H   GLU B  13       2.662 -13.993 -14.945  1.00 25.00           H   new
ATOM      0  HA  GLU B  13       3.616 -13.955 -17.597  1.00 25.00           H   new
ATOM      0  HB2 GLU B  13       0.850 -14.242 -16.367  1.00 25.00           H   new
ATOM      0  HB3 GLU B  13       1.180 -14.493 -18.070  1.00 25.00           H   new
ATOM      0  HG2 GLU B  13       2.741 -16.288 -17.486  1.00 25.00           H   new
ATOM      0  HG3 GLU B  13       2.365 -16.049 -15.791  1.00 25.00           H   new
ATOM    514  N   ALA B  14       1.646 -11.452 -16.681  1.00 25.00           N
ATOM    515  CA  ALA B  14       1.197 -10.090 -16.994  1.00 25.00           C
ATOM    516  C   ALA B  14       2.384  -9.173 -17.255  1.00 25.00           C
ATOM    517  O   ALA B  14       2.443  -8.492 -18.275  1.00 25.00           O
ATOM    518  CB  ALA B  14       0.364  -9.600 -15.835  1.00 25.00           C
ATOM      0  H   ALA B  14       1.374 -11.757 -15.747  1.00 25.00           H   new
ATOM      0  HA  ALA B  14       0.597 -10.089 -17.904  1.00 25.00           H   new
ATOM      0  HB1 ALA B  14       0.016  -8.588 -16.040  1.00 25.00           H   new
ATOM      0  HB2 ALA B  14      -0.494 -10.259 -15.699  1.00 25.00           H   new
ATOM      0  HB3 ALA B  14       0.968  -9.599 -14.928  1.00 25.00           H   new
ATOM    524  N   LEU B  15       3.321  -9.161 -16.329  1.00 25.00           N
ATOM    525  CA  LEU B  15       4.492  -8.254 -16.437  1.00 25.00           C
ATOM    526  C   LEU B  15       5.329  -8.661 -17.651  1.00 25.00           C
ATOM    527  O   LEU B  15       5.884  -7.815 -18.351  1.00 25.00           O
ATOM    528  CB  LEU B  15       5.376  -8.318 -15.172  1.00 25.00           C
ATOM    529  CG  LEU B  15       5.156  -7.255 -14.080  1.00 25.00           C
ATOM    530  CD1 LEU B  15       5.618  -5.868 -14.644  1.00 25.00           C
ATOM    531  CD2 LEU B  15       3.724  -7.164 -13.536  1.00 25.00           C
ATOM      0  H   LEU B  15       3.314  -9.752 -15.498  1.00 25.00           H   new
ATOM      0  HA  LEU B  15       4.124  -7.234 -16.546  1.00 25.00           H   new
ATOM      0  HB2 LEU B  15       5.236  -9.298 -14.716  1.00 25.00           H   new
ATOM      0  HB3 LEU B  15       6.417  -8.260 -15.489  1.00 25.00           H   new
ATOM      0  HG  LEU B  15       5.752  -7.561 -13.220  1.00 25.00           H   new
ATOM      0 HD11 LEU B  15       5.471  -5.099 -13.885  1.00 25.00           H   new
ATOM      0 HD12 LEU B  15       6.674  -5.917 -14.911  1.00 25.00           H   new
ATOM      0 HD13 LEU B  15       5.031  -5.621 -15.529  1.00 25.00           H   new
ATOM      0 HD21 LEU B  15       3.673  -6.387 -12.773  1.00 25.00           H   new
ATOM      0 HD22 LEU B  15       3.041  -6.919 -14.349  1.00 25.00           H   new
ATOM      0 HD23 LEU B  15       3.439  -8.121 -13.099  1.00 25.00           H   new
ATOM    543  N   TYR B  16       5.396  -9.938 -17.936  1.00 25.00           N
ATOM    544  CA  TYR B  16       6.102 -10.428 -19.110  1.00 25.00           C
ATOM    545  C   TYR B  16       5.398 -10.015 -20.425  1.00 25.00           C
ATOM    546  O   TYR B  16       5.989  -9.599 -21.401  1.00 25.00           O
ATOM    547  CB  TYR B  16       6.216 -11.969 -18.992  1.00 25.00           C
ATOM    548  CG  TYR B  16       7.122 -12.661 -20.034  1.00 25.00           C
ATOM    549  CD1 TYR B  16       8.509 -12.414 -20.102  1.00 25.00           C
ATOM    550  CD2 TYR B  16       6.555 -13.599 -20.934  1.00 25.00           C
ATOM    551  CE1 TYR B  16       9.352 -13.104 -21.066  1.00 25.00           C
ATOM    552  CE2 TYR B  16       7.358 -14.269 -21.876  1.00 25.00           C
ATOM    553  CZ  TYR B  16       8.730 -14.008 -21.937  1.00 25.00           C
ATOM    554  OH  TYR B  16       9.545 -14.638 -22.885  1.00 25.00           O
ATOM      0  H   TYR B  16       4.968 -10.669 -17.369  1.00 25.00           H   new
ATOM      0  HA  TYR B  16       7.095  -9.980 -19.148  1.00 25.00           H   new
ATOM      0  HB2 TYR B  16       6.589 -12.211 -17.997  1.00 25.00           H   new
ATOM      0  HB3 TYR B  16       5.216 -12.395 -19.069  1.00 25.00           H   new
ATOM      0  HD1 TYR B  16       8.954 -11.699 -19.426  1.00 25.00           H   new
ATOM      0  HD2 TYR B  16       5.495 -13.802 -20.896  1.00 25.00           H   new
ATOM      0  HE1 TYR B  16      10.416 -12.926 -21.109  1.00 25.00           H   new
ATOM      0  HE2 TYR B  16       6.914 -14.985 -22.552  1.00 25.00           H   new
ATOM      0  HH  TYR B  16       9.002 -15.243 -23.432  1.00 25.00           H   new
ATOM    564  N   LEU B  17       4.089 -10.036 -20.401  1.00 25.00           N
ATOM    565  CA  LEU B  17       3.305  -9.575 -21.569  1.00 25.00           C
ATOM    566  C   LEU B  17       3.372  -8.064 -21.806  1.00 25.00           C
ATOM    567  O   LEU B  17       3.184  -7.616 -22.926  1.00 25.00           O
ATOM    568  CB  LEU B  17       1.823  -9.955 -21.465  1.00 25.00           C
ATOM    569  CG  LEU B  17       1.526 -11.424 -21.667  1.00 25.00           C
ATOM    570  CD1 LEU B  17       0.204 -11.792 -21.001  1.00 25.00           C
ATOM    571  CD2 LEU B  17       1.517 -11.773 -23.136  1.00 25.00           C
ATOM      0  H   LEU B  17       3.531 -10.358 -19.610  1.00 25.00           H   new
ATOM      0  HA  LEU B  17       3.775 -10.087 -22.409  1.00 25.00           H   new
ATOM      0  HB2 LEU B  17       1.455  -9.657 -20.484  1.00 25.00           H   new
ATOM      0  HB3 LEU B  17       1.263  -9.381 -22.204  1.00 25.00           H   new
ATOM      0  HG  LEU B  17       2.317 -12.008 -21.196  1.00 25.00           H   new
ATOM      0 HD11 LEU B  17       0.002 -12.852 -21.154  1.00 25.00           H   new
ATOM      0 HD12 LEU B  17       0.265 -11.585 -19.933  1.00 25.00           H   new
ATOM      0 HD13 LEU B  17      -0.601 -11.202 -21.440  1.00 25.00           H   new
ATOM      0 HD21 LEU B  17       1.301 -12.835 -23.256  1.00 25.00           H   new
ATOM      0 HD22 LEU B  17       0.751 -11.187 -23.644  1.00 25.00           H   new
ATOM      0 HD23 LEU B  17       2.492 -11.549 -23.569  1.00 25.00           H   new
ATOM    583  N   VAL B  18       3.537  -7.270 -20.758  1.00 25.00           N
ATOM    584  CA  VAL B  18       3.518  -5.797 -20.903  1.00 25.00           C
ATOM    585  C   VAL B  18       4.907  -5.181 -21.035  1.00 25.00           C
ATOM    586  O   VAL B  18       5.142  -4.337 -21.919  1.00 25.00           O
ATOM    587  CB  VAL B  18       2.700  -5.163 -19.742  1.00 25.00           C
ATOM    588  CG1 VAL B  18       2.678  -3.632 -19.840  1.00 25.00           C
ATOM    589  CG2 VAL B  18       1.248  -5.709 -19.810  1.00 25.00           C
ATOM      0  H   VAL B  18       3.685  -7.602 -19.805  1.00 25.00           H   new
ATOM      0  HA  VAL B  18       3.023  -5.568 -21.847  1.00 25.00           H   new
ATOM      0  HB  VAL B  18       3.170  -5.428 -18.795  1.00 25.00           H   new
ATOM      0 HG11 VAL B  18       2.098  -3.223 -19.013  1.00 25.00           H   new
ATOM      0 HG12 VAL B  18       3.698  -3.250 -19.792  1.00 25.00           H   new
ATOM      0 HG13 VAL B  18       2.223  -3.334 -20.785  1.00 25.00           H   new
ATOM      0 HG21 VAL B  18       0.658  -5.275 -19.003  1.00 25.00           H   new
ATOM      0 HG22 VAL B  18       0.803  -5.442 -20.769  1.00 25.00           H   new
ATOM      0 HG23 VAL B  18       1.262  -6.794 -19.707  1.00 25.00           H   new
ATOM    599  N   CYS B  19       5.863  -5.591 -20.196  1.00 25.00           N
ATOM    600  CA  CYS B  19       7.201  -5.020 -20.297  1.00 25.00           C
ATOM    601  C   CYS B  19       7.989  -5.697 -21.407  1.00 25.00           C
ATOM    602  O   CYS B  19       8.949  -5.133 -21.927  1.00 25.00           O
ATOM    603  CB  CYS B  19       7.969  -5.221 -18.976  1.00 25.00           C
ATOM    604  SG  CYS B  19       7.215  -4.313 -17.575  1.00 25.00           S
ATOM      0  H   CYS B  19       5.740  -6.292 -19.465  1.00 25.00           H   new
ATOM      0  HA  CYS B  19       7.092  -3.957 -20.513  1.00 25.00           H   new
ATOM      0  HB2 CYS B  19       8.003  -6.284 -18.738  1.00 25.00           H   new
ATOM      0  HB3 CYS B  19       8.999  -4.890 -19.106  1.00 25.00           H   new
ATOM    609  N   GLY B  20       7.613  -6.921 -21.726  1.00 25.00           N
ATOM    610  CA  GLY B  20       8.287  -7.689 -22.757  1.00 25.00           C
ATOM    611  C   GLY B  20       9.265  -8.698 -22.177  1.00 25.00           C
ATOM    612  O   GLY B  20       8.963  -9.478 -21.282  1.00 25.00           O
ATOM      0  H   GLY B  20       6.836  -7.409 -21.281  1.00 25.00           H   new
ATOM      0  HA2 GLY B  20       7.545  -8.211 -23.362  1.00 25.00           H   new
ATOM      0  HA3 GLY B  20       8.820  -7.010 -23.423  1.00 25.00           H   new
ATOM    616  N   GLU B  21      10.475  -8.699 -22.696  1.00 25.00           N
ATOM    617  CA  GLU B  21      11.465  -9.733 -22.348  1.00 25.00           C
ATOM    618  C   GLU B  21      11.727  -9.807 -20.850  1.00 25.00           C
ATOM    619  O   GLU B  21      11.950 -10.894 -20.308  1.00 25.00           O
ATOM    620  CB  GLU B  21      12.800  -9.468 -23.020  1.00 25.00           C
ATOM    621  CG  GLU B  21      12.698  -9.282 -24.550  1.00 25.00           C
ATOM    622  CD  GLU B  21      12.746  -7.829 -24.957  1.00 25.00           C
ATOM    623  OE1 GLU B  21      13.858  -7.311 -25.196  1.00 25.00           O
ATOM    624  OE2 GLU B  21      11.682  -7.197 -24.912  1.00 25.00           O
ATOM      0  H   GLU B  21      10.810  -8.002 -23.361  1.00 25.00           H   new
ATOM      0  HA  GLU B  21      11.034 -10.673 -22.694  1.00 25.00           H   new
ATOM      0  HB2 GLU B  21      13.246  -8.574 -22.583  1.00 25.00           H   new
ATOM      0  HB3 GLU B  21      13.475 -10.297 -22.808  1.00 25.00           H   new
ATOM      0  HG2 GLU B  21      13.514  -9.819 -25.034  1.00 25.00           H   new
ATOM      0  HG3 GLU B  21      11.768  -9.726 -24.906  1.00 25.00           H   new
ATOM    631  N   ARG B  22      11.815  -8.640 -20.229  1.00 25.00           N
ATOM    632  CA  ARG B  22      12.261  -8.514 -18.840  1.00 25.00           C
ATOM    633  C   ARG B  22      11.799  -7.164 -18.372  1.00 25.00           C
ATOM    634  O   ARG B  22      11.564  -6.311 -19.201  1.00 25.00           O
ATOM    635  CB  ARG B  22      13.772  -8.623 -18.713  1.00 25.00           C
ATOM    636  CG  ARG B  22      14.534  -7.660 -19.623  1.00 25.00           C
ATOM    637  CD  ARG B  22      16.013  -7.738 -19.395  1.00 25.00           C
ATOM    638  NE  ARG B  22      16.389  -7.226 -18.055  1.00 25.00           N
ATOM    639  CZ  ARG B  22      16.695  -5.963 -17.785  1.00 25.00           C
ATOM    640  NH1 ARG B  22      16.735  -5.022 -18.711  1.00 25.00           N
ATOM    641  NH2 ARG B  22      16.979  -5.618 -16.540  1.00 25.00           N
ATOM      0  H   ARG B  22      11.580  -7.751 -20.670  1.00 25.00           H   new
ATOM      0  HA  ARG B  22      11.845  -9.321 -18.237  1.00 25.00           H   new
ATOM      0  HB2 ARG B  22      14.056  -8.433 -17.678  1.00 25.00           H   new
ATOM      0  HB3 ARG B  22      14.075  -9.644 -18.944  1.00 25.00           H   new
ATOM      0  HG2 ARG B  22      14.313  -7.892 -20.665  1.00 25.00           H   new
ATOM      0  HG3 ARG B  22      14.191  -6.641 -19.444  1.00 25.00           H   new
ATOM      0  HD2 ARG B  22      16.343  -8.772 -19.495  1.00 25.00           H   new
ATOM      0  HD3 ARG B  22      16.530  -7.163 -20.163  1.00 25.00           H   new
ATOM      0  HE  ARG B  22      16.414  -7.893 -17.284  1.00 25.00           H   new
ATOM      0 HH11 ARG B  22      16.525  -5.253 -19.682  1.00 25.00           H   new
ATOM      0 HH12 ARG B  22      16.976  -4.064 -18.455  1.00 25.00           H   new
ATOM      0 HH21 ARG B  22      16.961  -6.320 -15.800  1.00 25.00           H   new
ATOM      0 HH22 ARG B  22      17.216  -4.650 -16.320  1.00 25.00           H   new
ATOM    655  N   GLY B  23      11.815  -6.919 -17.063  1.00 25.00           N
ATOM    656  CA  GLY B  23      11.578  -5.577 -16.518  1.00 25.00           C
ATOM    657  C   GLY B  23      10.942  -5.525 -15.143  1.00 25.00           C
ATOM    658  O   GLY B  23      10.396  -4.502 -14.827  1.00 25.00           O
ATOM      0  H   GLY B  23      11.990  -7.633 -16.356  1.00 25.00           H   new
ATOM      0  HA2 GLY B  23      12.531  -5.049 -16.477  1.00 25.00           H   new
ATOM      0  HA3 GLY B  23      10.940  -5.031 -17.213  1.00 25.00           H   new
ATOM    662  N   PHE B  24      11.033  -6.594 -14.350  1.00 25.00           N
ATOM    663  CA  PHE B  24      10.383  -6.586 -13.005  1.00 25.00           C
ATOM    664  C   PHE B  24      11.233  -7.119 -11.846  1.00 25.00           C
ATOM    665  O   PHE B  24      11.077  -6.667 -10.750  1.00 25.00           O
ATOM    666  CB  PHE B  24       9.080  -7.360 -13.116  1.00 25.00           C
ATOM    667  CG  PHE B  24       9.195  -8.705 -13.805  1.00 25.00           C
ATOM    668  CD1 PHE B  24       9.063  -8.784 -15.205  1.00 25.00           C
ATOM    669  CD2 PHE B  24       9.451  -9.873 -13.067  1.00 25.00           C
ATOM    670  CE1 PHE B  24       9.165 -10.026 -15.883  1.00 25.00           C
ATOM    671  CE2 PHE B  24       9.554 -11.127 -13.718  1.00 25.00           C
ATOM    672  CZ  PHE B  24       9.416 -11.211 -15.128  1.00 25.00           C
ATOM      0  H   PHE B  24      11.527  -7.454 -14.588  1.00 25.00           H   new
ATOM      0  HA  PHE B  24      10.223  -5.541 -12.742  1.00 25.00           H   new
ATOM      0  HB2 PHE B  24       8.679  -7.514 -12.114  1.00 25.00           H   new
ATOM      0  HB3 PHE B  24       8.357  -6.751 -13.658  1.00 25.00           H   new
ATOM      0  HD1 PHE B  24       8.881  -7.883 -15.772  1.00 25.00           H   new
ATOM      0  HD2 PHE B  24       9.570  -9.814 -11.995  1.00 25.00           H   new
ATOM      0  HE1 PHE B  24       9.054 -10.074 -16.956  1.00 25.00           H   new
ATOM      0  HE2 PHE B  24       9.738 -12.021 -13.140  1.00 25.00           H   new
ATOM      0  HZ  PHE B  24       9.500 -12.165 -15.626  1.00 25.00           H   new
ATOM    682  N   PHE B  25      12.067  -8.135 -12.112  1.00 25.00           N
ATOM    683  CA  PHE B  25      12.928  -8.837 -11.136  1.00 25.00           C
ATOM    684  C   PHE B  25      12.166  -9.340  -9.883  1.00 25.00           C
ATOM    685  O   PHE B  25      11.998  -8.644  -8.884  1.00 25.00           O
ATOM    686  CB  PHE B  25      14.114  -7.938 -10.691  1.00 25.00           C
ATOM    687  CG  PHE B  25      15.226  -8.719 -10.001  1.00 25.00           C
ATOM    688  CD1 PHE B  25      15.100  -9.104  -8.630  1.00 25.00           C
ATOM    689  CD2 PHE B  25      16.381  -9.100 -10.708  1.00 25.00           C
ATOM    690  CE1 PHE B  25      16.104  -9.851  -7.984  1.00 25.00           C
ATOM    691  CE2 PHE B  25      17.413  -9.865 -10.046  1.00 25.00           C
ATOM    692  CZ  PHE B  25      17.264 -10.238  -8.682  1.00 25.00           C
ATOM      0  H   PHE B  25      12.168  -8.510 -13.055  1.00 25.00           H   new
ATOM      0  HA  PHE B  25      13.302  -9.716 -11.660  1.00 25.00           H   new
ATOM      0  HB2 PHE B  25      14.523  -7.427 -11.563  1.00 25.00           H   new
ATOM      0  HB3 PHE B  25      13.745  -7.167 -10.014  1.00 25.00           H   new
ATOM      0  HD1 PHE B  25      14.217  -8.816  -8.079  1.00 25.00           H   new
ATOM      0  HD2 PHE B  25      16.496  -8.821 -11.745  1.00 25.00           H   new
ATOM      0  HE1 PHE B  25      15.984 -10.129  -6.947  1.00 25.00           H   new
ATOM      0  HE2 PHE B  25      18.300 -10.154 -10.589  1.00 25.00           H   new
ATOM      0  HZ  PHE B  25      18.033 -10.812  -8.186  1.00 25.00           H   new