USER  MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 416 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  48 GLN     :      amide:sc=   -3.21! C(o=-5.6!,f=-21!)
USER  MOD Set 1.2: A  49 LYS NZ  :NH3+   -147:sc=   -2.35!  (180deg=-4.75!)
USER  MOD Set 2.1: A  27 THR OG1 :   rot  139:sc=   0.188
USER  MOD Set 2.2: A  29 SER OG  :   rot  180:sc=   0.578
USER  MOD Set 3.1: A   9 LYS NZ  :NH3+   -173:sc=   -1.68!  (180deg=-2.59)
USER  MOD Set 3.2: A  41 ASN     :      amide:sc=   -0.53  K(o=-2.2,f=-16!)
USER  MOD Single : A   6 LYS NZ  :NH3+   -113:sc=    -2.1!  (180deg=-3.67!)
USER  MOD Single : A  13 THR OG1 :   rot  110:sc=       0
USER  MOD Single : A  20 LYS NZ  :NH3+   -141:sc=    -4.6!  (180deg=-8.25!)
USER  MOD Single : A  22 TYR OH  :   rot  -93:sc=   0.613
USER  MOD Single : A  23 TYR OH  :   rot   44:sc=    1.34
USER  MOD Single : A  26 ASN     :      amide:sc= -0.0599  K(o=-0.06,f=-1.4)
USER  MOD Single : A  28 LYS NZ  :NH3+    143:sc=   -4.42!  (180deg=-7.81!)
USER  MOD Single : A  35 TYR OH  :   rot  133:sc=   -0.25
USER  MOD Single : A  43 ASN     :      amide:sc=   -2.07  K(o=-2.1,f=-9.1!)
USER  MOD Single : A  44 LYS NZ  :NH3+   -130:sc=  0.0994   (180deg=-6.08!)
USER  MOD Single : A  47 SER OG  :   rot  180:sc=  -0.519
USER  MOD Single : A  53 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     32  N   ASP A   3      -5.550 -11.969  -0.440  1.00  0.00           N
ATOM     33  CA  ASP A   3      -4.757 -11.553  -1.650  1.00  0.00           C
ATOM     34  C   ASP A   3      -4.983 -10.114  -2.268  1.00  0.00           C
ATOM     35  O   ASP A   3      -5.436  -9.843  -3.365  1.00  0.00           O
ATOM     36  CB  ASP A   3      -5.035 -12.747  -2.601  1.00  0.00           C
ATOM     37  CG  ASP A   3      -4.008 -12.872  -3.687  1.00  0.00           C
ATOM     38  OD1 ASP A   3      -3.355 -11.910  -4.042  1.00  0.00           O
ATOM     39  OD2 ASP A   3      -3.912 -13.983  -4.158  1.00  0.00           O
ATOM      0  HA  ASP A   3      -3.709 -11.384  -1.403  1.00  0.00           H   new
ATOM      0  HB2 ASP A   3      -5.060 -13.670  -2.022  1.00  0.00           H   new
ATOM      0  HB3 ASP A   3      -6.021 -12.627  -3.051  1.00  0.00           H   new
ATOM     44  N   ILE A   4      -4.585  -9.212  -1.430  1.00  0.00           N
ATOM     45  CA  ILE A   4      -4.623  -7.726  -1.635  1.00  0.00           C
ATOM     46  C   ILE A   4      -3.974  -7.242  -2.950  1.00  0.00           C
ATOM     47  O   ILE A   4      -4.016  -6.093  -3.357  1.00  0.00           O
ATOM     48  CB  ILE A   4      -3.949  -7.122  -0.372  1.00  0.00           C
ATOM     49  CG1 ILE A   4      -2.448  -7.527  -0.239  1.00  0.00           C
ATOM     50  CG2 ILE A   4      -4.679  -7.626   0.902  1.00  0.00           C
ATOM     51  CD1 ILE A   4      -1.534  -6.595  -1.067  1.00  0.00           C
ATOM      0  H   ILE A   4      -4.196  -9.464  -0.521  1.00  0.00           H   new
ATOM      0  HA  ILE A   4      -5.653  -7.388  -1.750  1.00  0.00           H   new
ATOM      0  HB  ILE A   4      -4.014  -6.039  -0.476  1.00  0.00           H   new
ATOM      0 HG12 ILE A   4      -2.152  -7.491   0.809  1.00  0.00           H   new
ATOM      0 HG13 ILE A   4      -2.317  -8.557  -0.572  1.00  0.00           H   new
ATOM      0 HG21 ILE A   4      -4.204  -7.201   1.786  1.00  0.00           H   new
ATOM      0 HG22 ILE A   4      -5.724  -7.318   0.868  1.00  0.00           H   new
ATOM      0 HG23 ILE A   4      -4.622  -8.714   0.948  1.00  0.00           H   new
ATOM      0 HD11 ILE A   4      -0.496  -6.906  -0.951  1.00  0.00           H   new
ATOM      0 HD12 ILE A   4      -1.814  -6.651  -2.119  1.00  0.00           H   new
ATOM      0 HD13 ILE A   4      -1.647  -5.569  -0.716  1.00  0.00           H   new
ATOM     63  N   CYS A   5      -3.363  -8.168  -3.619  1.00  0.00           N
ATOM     64  CA  CYS A   5      -2.683  -7.860  -4.909  1.00  0.00           C
ATOM     65  C   CYS A   5      -3.547  -8.142  -6.152  1.00  0.00           C
ATOM     66  O   CYS A   5      -3.126  -7.964  -7.276  1.00  0.00           O
ATOM     67  CB  CYS A   5      -1.386  -8.654  -4.838  1.00  0.00           C
ATOM     68  SG  CYS A   5      -0.205  -7.860  -3.724  1.00  0.00           S
ATOM      0  H   CYS A   5      -3.302  -9.143  -3.326  1.00  0.00           H   new
ATOM      0  HA  CYS A   5      -2.490  -6.794  -5.032  1.00  0.00           H   new
ATOM      0  HB2 CYS A   5      -1.593  -9.667  -4.493  1.00  0.00           H   new
ATOM      0  HB3 CYS A   5      -0.952  -8.739  -5.834  1.00  0.00           H   new
ATOM     73  N   LYS A   6      -4.749  -8.586  -5.915  1.00  0.00           N
ATOM     74  CA  LYS A   6      -5.709  -8.881  -7.031  1.00  0.00           C
ATOM     75  C   LYS A   6      -6.900  -7.888  -6.922  1.00  0.00           C
ATOM     76  O   LYS A   6      -8.013  -8.140  -7.336  1.00  0.00           O
ATOM     77  CB  LYS A   6      -6.122 -10.362  -6.870  1.00  0.00           C
ATOM     78  CG  LYS A   6      -4.874 -11.244  -7.114  1.00  0.00           C
ATOM     79  CD  LYS A   6      -5.263 -12.725  -6.789  1.00  0.00           C
ATOM     80  CE  LYS A   6      -4.123 -13.730  -7.040  1.00  0.00           C
ATOM     81  NZ  LYS A   6      -2.914 -13.186  -6.355  1.00  0.00           N
ATOM      0  H   LYS A   6      -5.119  -8.762  -4.981  1.00  0.00           H   new
ATOM      0  HA  LYS A   6      -5.282  -8.748  -8.025  1.00  0.00           H   new
ATOM      0  HB2 LYS A   6      -6.522 -10.538  -5.871  1.00  0.00           H   new
ATOM      0  HB3 LYS A   6      -6.910 -10.615  -7.579  1.00  0.00           H   new
ATOM      0  HG2 LYS A   6      -4.540 -11.155  -8.148  1.00  0.00           H   new
ATOM      0  HG3 LYS A   6      -4.047 -10.919  -6.482  1.00  0.00           H   new
ATOM      0  HD2 LYS A   6      -5.571 -12.791  -5.745  1.00  0.00           H   new
ATOM      0  HD3 LYS A   6      -6.125 -13.007  -7.394  1.00  0.00           H   new
ATOM      0  HE2 LYS A   6      -4.381 -14.714  -6.647  1.00  0.00           H   new
ATOM      0  HE3 LYS A   6      -3.941 -13.851  -8.108  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   6      -2.204 -12.918  -7.066  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   6      -3.178 -12.349  -5.797  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   6      -2.516 -13.911  -5.725  1.00  0.00           H   new
ATOM     95  N   LEU A   7      -6.577  -6.763  -6.345  1.00  0.00           N
ATOM     96  CA  LEU A   7      -7.517  -5.642  -6.121  1.00  0.00           C
ATOM     97  C   LEU A   7      -7.230  -4.479  -7.124  1.00  0.00           C
ATOM     98  O   LEU A   7      -6.196  -4.446  -7.767  1.00  0.00           O
ATOM     99  CB  LEU A   7      -7.342  -5.117  -4.672  1.00  0.00           C
ATOM    100  CG  LEU A   7      -7.437  -6.212  -3.606  1.00  0.00           C
ATOM    101  CD1 LEU A   7      -7.299  -5.515  -2.246  1.00  0.00           C
ATOM    102  CD2 LEU A   7      -8.815  -6.876  -3.642  1.00  0.00           C
ATOM      0  H   LEU A   7      -5.636  -6.572  -6.001  1.00  0.00           H   new
ATOM      0  HA  LEU A   7      -8.536  -5.998  -6.275  1.00  0.00           H   new
ATOM      0  HB2 LEU A   7      -6.374  -4.623  -4.588  1.00  0.00           H   new
ATOM      0  HB3 LEU A   7      -8.103  -4.362  -4.474  1.00  0.00           H   new
ATOM      0  HG  LEU A   7      -6.669  -6.966  -3.777  1.00  0.00           H   new
ATOM      0 HD11 LEU A   7      -7.360  -6.256  -1.449  1.00  0.00           H   new
ATOM      0 HD12 LEU A   7      -6.337  -5.006  -2.194  1.00  0.00           H   new
ATOM      0 HD13 LEU A   7      -8.102  -4.787  -2.127  1.00  0.00           H   new
ATOM      0 HD21 LEU A   7      -8.865  -7.652  -2.878  1.00  0.00           H   new
ATOM      0 HD22 LEU A   7      -9.584  -6.128  -3.451  1.00  0.00           H   new
ATOM      0 HD23 LEU A   7      -8.978  -7.322  -4.623  1.00  0.00           H   new
ATOM    114  N   PRO A   8      -8.148  -3.552  -7.235  1.00  0.00           N
ATOM    115  CA  PRO A   8      -7.823  -2.165  -7.684  1.00  0.00           C
ATOM    116  C   PRO A   8      -7.136  -1.325  -6.574  1.00  0.00           C
ATOM    117  O   PRO A   8      -7.010  -1.717  -5.428  1.00  0.00           O
ATOM    118  CB  PRO A   8      -9.190  -1.641  -8.122  1.00  0.00           C
ATOM    119  CG  PRO A   8     -10.100  -2.275  -7.028  1.00  0.00           C
ATOM    120  CD  PRO A   8      -9.601  -3.734  -6.957  1.00  0.00           C
ATOM      0  HA  PRO A   8      -7.086  -2.116  -8.486  1.00  0.00           H   new
ATOM      0  HB2 PRO A   8      -9.237  -0.552  -8.120  1.00  0.00           H   new
ATOM      0  HB3 PRO A   8      -9.458  -1.970  -9.126  1.00  0.00           H   new
ATOM      0  HG2 PRO A   8      -9.993  -1.766  -6.070  1.00  0.00           H   new
ATOM      0  HG3 PRO A   8     -11.154  -2.223  -7.301  1.00  0.00           H   new
ATOM      0  HD2 PRO A   8      -9.781  -4.184  -5.981  1.00  0.00           H   new
ATOM      0  HD3 PRO A   8     -10.085  -4.372  -7.696  1.00  0.00           H   new
ATOM    128  N   LYS A   9      -6.704  -0.160  -6.963  1.00  0.00           N
ATOM    129  CA  LYS A   9      -6.024   0.735  -5.972  1.00  0.00           C
ATOM    130  C   LYS A   9      -6.884   1.810  -5.267  1.00  0.00           C
ATOM    131  O   LYS A   9      -8.094   1.818  -5.350  1.00  0.00           O
ATOM    132  CB  LYS A   9      -4.799   1.410  -6.694  1.00  0.00           C
ATOM    133  CG  LYS A   9      -3.498   0.921  -6.007  1.00  0.00           C
ATOM    134  CD  LYS A   9      -3.550   1.194  -4.459  1.00  0.00           C
ATOM    135  CE  LYS A   9      -2.691   0.253  -3.672  1.00  0.00           C
ATOM    136  NZ  LYS A   9      -3.312   0.201  -2.313  1.00  0.00           N
ATOM      0  H   LYS A   9      -6.787   0.213  -7.909  1.00  0.00           H   new
ATOM      0  HA  LYS A   9      -5.737   0.082  -5.148  1.00  0.00           H   new
ATOM      0  HB2 LYS A   9      -4.791   1.148  -7.752  1.00  0.00           H   new
ATOM      0  HB3 LYS A   9      -4.875   2.496  -6.635  1.00  0.00           H   new
ATOM      0  HG2 LYS A   9      -3.364  -0.145  -6.189  1.00  0.00           H   new
ATOM      0  HG3 LYS A   9      -2.638   1.430  -6.442  1.00  0.00           H   new
ATOM      0  HD2 LYS A   9      -3.231   2.218  -4.265  1.00  0.00           H   new
ATOM      0  HD3 LYS A   9      -4.581   1.111  -4.115  1.00  0.00           H   new
ATOM      0  HE2 LYS A   9      -2.665  -0.735  -4.132  1.00  0.00           H   new
ATOM      0  HE3 LYS A   9      -1.662   0.608  -3.622  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   9      -2.700  -0.344  -1.672  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   9      -3.425   1.167  -1.946  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   9      -4.244  -0.257  -2.374  1.00  0.00           H   new
ATOM    150  N   ASP A  10      -6.167   2.674  -4.607  1.00  0.00           N
ATOM    151  CA  ASP A  10      -6.736   3.804  -3.827  1.00  0.00           C
ATOM    152  C   ASP A  10      -6.404   5.175  -4.534  1.00  0.00           C
ATOM    153  O   ASP A  10      -5.262   5.406  -4.880  1.00  0.00           O
ATOM    154  CB  ASP A  10      -6.093   3.721  -2.359  1.00  0.00           C
ATOM    155  CG  ASP A  10      -5.490   2.392  -1.942  1.00  0.00           C
ATOM    156  OD1 ASP A  10      -5.989   1.344  -2.271  1.00  0.00           O
ATOM    157  OD2 ASP A  10      -4.485   2.396  -1.253  1.00  0.00           O
ATOM      0  H   ASP A  10      -5.148   2.637  -4.577  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      -7.822   3.742  -3.763  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10      -5.316   4.482  -2.286  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10      -6.865   3.984  -1.636  1.00  0.00           H   new
ATOM    162  N   GLU A  11      -7.359   6.033  -4.745  1.00  0.00           N
ATOM    163  CA  GLU A  11      -7.105   7.367  -5.402  1.00  0.00           C
ATOM    164  C   GLU A  11      -7.670   8.564  -4.576  1.00  0.00           C
ATOM    165  O   GLU A  11      -6.918   9.267  -3.936  1.00  0.00           O
ATOM    166  CB  GLU A  11      -7.744   7.293  -6.881  1.00  0.00           C
ATOM    167  CG  GLU A  11      -8.958   6.276  -6.975  1.00  0.00           C
ATOM    168  CD  GLU A  11     -10.122   6.654  -6.087  1.00  0.00           C
ATOM    169  OE1 GLU A  11     -10.068   6.279  -4.932  1.00  0.00           O
ATOM    170  OE2 GLU A  11     -10.986   7.321  -6.610  1.00  0.00           O
ATOM      0  H   GLU A  11      -8.333   5.872  -4.487  1.00  0.00           H   new
ATOM      0  HA  GLU A  11      -6.033   7.556  -5.457  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11      -8.084   8.286  -7.175  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -6.972   6.997  -7.591  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -9.300   6.223  -8.009  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -8.611   5.279  -6.703  1.00  0.00           H   new
ATOM    177  N   GLY A  12      -8.948   8.810  -4.550  1.00  0.00           N
ATOM    178  CA  GLY A  12      -9.507   9.964  -3.753  1.00  0.00           C
ATOM    179  C   GLY A  12      -9.953   9.501  -2.374  1.00  0.00           C
ATOM    180  O   GLY A  12     -11.111   9.572  -2.025  1.00  0.00           O
ATOM      0  H   GLY A  12      -9.647   8.260  -5.049  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      -8.751  10.743  -3.653  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12     -10.351  10.404  -4.284  1.00  0.00           H   new
ATOM    184  N   THR A  13      -9.012   9.039  -1.594  1.00  0.00           N
ATOM    185  CA  THR A  13      -9.380   8.553  -0.200  1.00  0.00           C
ATOM    186  C   THR A  13      -9.682   9.766   0.687  1.00  0.00           C
ATOM    187  O   THR A  13     -10.569   9.722   1.512  1.00  0.00           O
ATOM    188  CB  THR A  13      -8.203   7.707   0.405  1.00  0.00           C
ATOM    189  OG1 THR A  13      -8.659   7.213   1.657  1.00  0.00           O
ATOM    190  CG2 THR A  13      -7.038   8.519   0.910  1.00  0.00           C
ATOM      0  H   THR A  13      -8.024   8.971  -1.839  1.00  0.00           H   new
ATOM      0  HA  THR A  13     -10.263   7.917  -0.253  1.00  0.00           H   new
ATOM      0  HB  THR A  13      -7.920   7.012  -0.386  1.00  0.00           H   new
ATOM      0  HG1 THR A  13      -8.797   6.245   1.596  1.00  0.00           H   new
ATOM      0 HG21 THR A  13      -6.275   7.851   1.309  1.00  0.00           H   new
ATOM      0 HG22 THR A  13      -6.618   9.101   0.090  1.00  0.00           H   new
ATOM      0 HG23 THR A  13      -7.378   9.193   1.697  1.00  0.00           H   new
ATOM    198  N   CYS A  14      -8.901  10.787   0.478  1.00  0.00           N
ATOM    199  CA  CYS A  14      -9.002  12.099   1.202  1.00  0.00           C
ATOM    200  C   CYS A  14      -8.520  13.242   0.270  1.00  0.00           C
ATOM    201  O   CYS A  14      -8.466  13.075  -0.932  1.00  0.00           O
ATOM    202  CB  CYS A  14      -8.156  12.008   2.502  1.00  0.00           C
ATOM    203  SG  CYS A  14      -9.115  11.607   3.979  1.00  0.00           S
ATOM      0  H   CYS A  14      -8.147  10.768  -0.209  1.00  0.00           H   new
ATOM      0  HA  CYS A  14     -10.034  12.318   1.477  1.00  0.00           H   new
ATOM      0  HB2 CYS A  14      -7.383  11.252   2.367  1.00  0.00           H   new
ATOM      0  HB3 CYS A  14      -7.647  12.959   2.659  1.00  0.00           H   new
ATOM    208  N   ARG A  15      -8.184  14.383   0.806  1.00  0.00           N
ATOM    209  CA  ARG A  15      -7.707  15.521  -0.064  1.00  0.00           C
ATOM    210  C   ARG A  15      -6.193  15.796   0.206  1.00  0.00           C
ATOM    211  O   ARG A  15      -5.680  16.882   0.030  1.00  0.00           O
ATOM    212  CB  ARG A  15      -8.628  16.743   0.271  1.00  0.00           C
ATOM    213  CG  ARG A  15      -8.276  17.944  -0.662  1.00  0.00           C
ATOM    214  CD  ARG A  15      -9.178  19.134  -0.375  1.00  0.00           C
ATOM    215  NE  ARG A  15      -8.494  20.284  -1.074  1.00  0.00           N
ATOM    216  CZ  ARG A  15      -9.027  20.932  -2.015  1.00  0.00           C
ATOM    217  NH1 ARG A  15      -8.889  20.466  -3.167  1.00  0.00           N
ATOM    218  NH2 ARG A  15      -9.645  21.983  -1.730  1.00  0.00           N
ATOM      0  H   ARG A  15      -8.215  14.586   1.805  1.00  0.00           H   new
ATOM      0  HA  ARG A  15      -7.779  15.297  -1.128  1.00  0.00           H   new
ATOM      0  HB2 ARG A  15      -9.675  16.467   0.144  1.00  0.00           H   new
ATOM      0  HB3 ARG A  15      -8.499  17.032   1.314  1.00  0.00           H   new
ATOM      0  HG2 ARG A  15      -7.234  18.229  -0.518  1.00  0.00           H   new
ATOM      0  HG3 ARG A  15      -8.383  17.644  -1.704  1.00  0.00           H   new
ATOM      0  HD2 ARG A  15     -10.185  18.974  -0.760  1.00  0.00           H   new
ATOM      0  HD3 ARG A  15      -9.271  19.316   0.696  1.00  0.00           H   new
ATOM      0  HE  ARG A  15      -7.557  20.549  -0.771  1.00  0.00           H   new
ATOM      0 HH11 ARG A  15      -8.366  19.602  -3.308  1.00  0.00           H   new
ATOM      0 HH12 ARG A  15      -9.300  20.950  -3.965  1.00  0.00           H   new
ATOM      0 HH21 ARG A  15      -9.706  22.292  -0.760  1.00  0.00           H   new
ATOM      0 HH22 ARG A  15     -10.088  22.530  -2.468  1.00  0.00           H   new
ATOM    232  N   ASP A  16      -5.531  14.760   0.620  1.00  0.00           N
ATOM    233  CA  ASP A  16      -4.069  14.791   0.942  1.00  0.00           C
ATOM    234  C   ASP A  16      -3.178  13.964  -0.036  1.00  0.00           C
ATOM    235  O   ASP A  16      -2.058  13.601   0.255  1.00  0.00           O
ATOM    236  CB  ASP A  16      -4.011  14.287   2.437  1.00  0.00           C
ATOM    237  CG  ASP A  16      -4.591  12.885   2.619  1.00  0.00           C
ATOM    238  OD1 ASP A  16      -5.221  12.384   1.709  1.00  0.00           O
ATOM    239  OD2 ASP A  16      -4.397  12.324   3.676  1.00  0.00           O
ATOM      0  H   ASP A  16      -5.960  13.845   0.757  1.00  0.00           H   new
ATOM      0  HA  ASP A  16      -3.646  15.788   0.822  1.00  0.00           H   new
ATOM      0  HB2 ASP A  16      -2.975  14.292   2.776  1.00  0.00           H   new
ATOM      0  HB3 ASP A  16      -4.557  14.985   3.071  1.00  0.00           H   new
ATOM    244  N   PHE A  17      -3.707  13.701  -1.194  1.00  0.00           N
ATOM    245  CA  PHE A  17      -3.006  12.906  -2.268  1.00  0.00           C
ATOM    246  C   PHE A  17      -1.466  12.760  -2.254  1.00  0.00           C
ATOM    247  O   PHE A  17      -0.758  13.574  -2.810  1.00  0.00           O
ATOM    248  CB  PHE A  17      -3.373  13.453  -3.661  1.00  0.00           C
ATOM    249  CG  PHE A  17      -4.864  13.270  -3.944  1.00  0.00           C
ATOM    250  CD1 PHE A  17      -5.807  14.140  -3.444  1.00  0.00           C
ATOM    251  CD2 PHE A  17      -5.275  12.203  -4.715  1.00  0.00           C
ATOM    252  CE1 PHE A  17      -7.146  13.942  -3.716  1.00  0.00           C
ATOM    253  CE2 PHE A  17      -6.610  12.005  -4.987  1.00  0.00           C
ATOM    254  CZ  PHE A  17      -7.547  12.876  -4.487  1.00  0.00           C
ATOM      0  H   PHE A  17      -4.640  14.015  -1.463  1.00  0.00           H   new
ATOM      0  HA  PHE A  17      -3.377  11.908  -2.036  1.00  0.00           H   new
ATOM      0  HB2 PHE A  17      -3.115  14.510  -3.720  1.00  0.00           H   new
ATOM      0  HB3 PHE A  17      -2.788  12.939  -4.424  1.00  0.00           H   new
ATOM      0  HD1 PHE A  17      -5.499  14.979  -2.838  1.00  0.00           H   new
ATOM      0  HD2 PHE A  17      -4.542  11.515  -5.110  1.00  0.00           H   new
ATOM      0  HE1 PHE A  17      -7.882  14.627  -3.322  1.00  0.00           H   new
ATOM      0  HE2 PHE A  17      -6.920  11.166  -5.593  1.00  0.00           H   new
ATOM      0  HZ  PHE A  17      -8.595  12.724  -4.699  1.00  0.00           H   new
ATOM    264  N   ILE A  18      -0.963  11.737  -1.630  1.00  0.00           N
ATOM    265  CA  ILE A  18       0.534  11.546  -1.606  1.00  0.00           C
ATOM    266  C   ILE A  18       0.773  10.441  -2.668  1.00  0.00           C
ATOM    267  O   ILE A  18      -0.156   9.712  -2.986  1.00  0.00           O
ATOM    268  CB  ILE A  18       0.994  11.102  -0.144  1.00  0.00           C
ATOM    269  CG1 ILE A  18       0.526   9.681   0.207  1.00  0.00           C
ATOM    270  CG2 ILE A  18       0.423  12.044   0.933  1.00  0.00           C
ATOM    271  CD1 ILE A  18       1.627   8.672  -0.150  1.00  0.00           C
ATOM      0  H   ILE A  18      -1.504  11.026  -1.138  1.00  0.00           H   new
ATOM      0  HA  ILE A  18       1.106  12.446  -1.831  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       2.083  11.142  -0.157  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       0.291   9.617   1.269  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18      -0.388   9.444  -0.337  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18       0.755  11.714   1.918  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18       0.776  13.059   0.752  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      -0.666  12.026   0.892  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       1.293   7.665   0.100  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       1.841   8.729  -1.217  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       2.530   8.905   0.414  1.00  0.00           H   new
ATOM    283  N   LEU A  19       1.961  10.326  -3.193  1.00  0.00           N
ATOM    284  CA  LEU A  19       2.216   9.270  -4.231  1.00  0.00           C
ATOM    285  C   LEU A  19       2.818   7.953  -3.656  1.00  0.00           C
ATOM    286  O   LEU A  19       3.635   7.967  -2.754  1.00  0.00           O
ATOM    287  CB  LEU A  19       3.142   9.962  -5.313  1.00  0.00           C
ATOM    288  CG  LEU A  19       4.647   9.441  -5.323  1.00  0.00           C
ATOM    289  CD1 LEU A  19       4.797   8.119  -6.102  1.00  0.00           C
ATOM    290  CD2 LEU A  19       5.562  10.446  -6.023  1.00  0.00           C
ATOM      0  H   LEU A  19       2.764  10.908  -2.956  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       1.280   8.926  -4.671  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       2.709   9.802  -6.300  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19       3.144  11.038  -5.137  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       4.919   9.302  -4.277  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       5.840   7.801  -6.082  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       4.175   7.352  -5.640  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       4.482   8.268  -7.135  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19       6.585  10.071  -6.019  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19       5.231  10.584  -7.052  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19       5.523  11.400  -5.498  1.00  0.00           H   new
ATOM    302  N   LYS A  20       2.393   6.847  -4.198  1.00  0.00           N
ATOM    303  CA  LYS A  20       2.882   5.485  -3.754  1.00  0.00           C
ATOM    304  C   LYS A  20       2.996   4.531  -4.980  1.00  0.00           C
ATOM    305  O   LYS A  20       2.691   4.916  -6.094  1.00  0.00           O
ATOM    306  CB  LYS A  20       1.867   4.912  -2.674  1.00  0.00           C
ATOM    307  CG  LYS A  20       2.049   5.592  -1.273  1.00  0.00           C
ATOM    308  CD  LYS A  20       3.091   4.842  -0.361  1.00  0.00           C
ATOM    309  CE  LYS A  20       2.416   3.686   0.391  1.00  0.00           C
ATOM    310  NZ  LYS A  20       3.439   2.779   1.028  1.00  0.00           N
ATOM      0  H   LYS A  20       1.707   6.816  -4.953  1.00  0.00           H   new
ATOM      0  HA  LYS A  20       3.873   5.567  -3.307  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20       0.845   5.065  -3.021  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20       2.012   3.836  -2.576  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20       2.373   6.623  -1.414  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20       1.086   5.627  -0.763  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20       3.908   4.458  -0.972  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20       3.528   5.541   0.352  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20       1.753   4.086   1.158  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20       1.797   3.112  -0.299  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       3.130   1.790   0.937  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20       4.355   2.901   0.552  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20       3.537   3.020   2.035  1.00  0.00           H   new
ATOM    324  N   TRP A  21       3.410   3.314  -4.751  1.00  0.00           N
ATOM    325  CA  TRP A  21       3.559   2.300  -5.837  1.00  0.00           C
ATOM    326  C   TRP A  21       2.524   1.227  -5.495  1.00  0.00           C
ATOM    327  O   TRP A  21       2.272   0.985  -4.331  1.00  0.00           O
ATOM    328  CB  TRP A  21       4.964   1.620  -5.831  1.00  0.00           C
ATOM    329  CG  TRP A  21       6.131   2.554  -6.173  1.00  0.00           C
ATOM    330  CD1 TRP A  21       6.701   3.432  -5.309  1.00  0.00           C
ATOM    331  CD2 TRP A  21       6.759   2.630  -7.370  1.00  0.00           C
ATOM    332  NE1 TRP A  21       7.650   3.997  -6.042  1.00  0.00           N
ATOM    333  CE2 TRP A  21       7.767   3.582  -7.291  1.00  0.00           C
ATOM    334  CE3 TRP A  21       6.555   1.942  -8.570  1.00  0.00           C
ATOM    335  CZ2 TRP A  21       8.574   3.848  -8.391  1.00  0.00           C
ATOM    336  CZ3 TRP A  21       7.361   2.205  -9.677  1.00  0.00           C
ATOM    337  CH2 TRP A  21       8.375   3.159  -9.593  1.00  0.00           C
ATOM      0  H   TRP A  21       3.660   2.969  -3.824  1.00  0.00           H   new
ATOM      0  HA  TRP A  21       3.433   2.768  -6.813  1.00  0.00           H   new
ATOM      0  HB2 TRP A  21       5.139   1.188  -4.846  1.00  0.00           H   new
ATOM      0  HB3 TRP A  21       4.956   0.795  -6.544  1.00  0.00           H   new
ATOM      0  HD1 TRP A  21       6.444   3.623  -4.278  1.00  0.00           H   new
ATOM      0  HE1 TRP A  21       8.261   4.718  -5.660  1.00  0.00           H   new
ATOM      0  HE3 TRP A  21       5.770   1.204  -8.640  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  21       9.357   4.588  -8.318  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  21       7.200   1.669 -10.601  1.00  0.00           H   new
ATOM      0  HH2 TRP A  21       9.001   3.364 -10.448  1.00  0.00           H   new
ATOM    348  N   TYR A  22       1.939   0.616  -6.463  1.00  0.00           N
ATOM    349  CA  TYR A  22       0.936  -0.441  -6.159  1.00  0.00           C
ATOM    350  C   TYR A  22       1.178  -1.622  -7.091  1.00  0.00           C
ATOM    351  O   TYR A  22       1.733  -1.430  -8.156  1.00  0.00           O
ATOM    352  CB  TYR A  22      -0.468   0.173  -6.352  1.00  0.00           C
ATOM    353  CG  TYR A  22      -1.016   0.027  -7.783  1.00  0.00           C
ATOM    354  CD1 TYR A  22      -1.714  -1.120  -8.104  1.00  0.00           C
ATOM    355  CD2 TYR A  22      -0.851   0.997  -8.750  1.00  0.00           C
ATOM    356  CE1 TYR A  22      -2.244  -1.304  -9.368  1.00  0.00           C
ATOM    357  CE2 TYR A  22      -1.390   0.798 -10.018  1.00  0.00           C
ATOM    358  CZ  TYR A  22      -2.085  -0.343 -10.328  1.00  0.00           C
ATOM    359  OH  TYR A  22      -2.629  -0.494 -11.581  1.00  0.00           O
ATOM      0  H   TYR A  22       2.103   0.794  -7.454  1.00  0.00           H   new
ATOM      0  HA  TYR A  22       1.019  -0.803  -5.134  1.00  0.00           H   new
ATOM      0  HB2 TYR A  22      -1.161  -0.301  -5.657  1.00  0.00           H   new
ATOM      0  HB3 TYR A  22      -0.431   1.231  -6.093  1.00  0.00           H   new
ATOM      0  HD1 TYR A  22      -1.848  -1.887  -7.355  1.00  0.00           H   new
ATOM      0  HD2 TYR A  22      -0.308   1.903  -8.525  1.00  0.00           H   new
ATOM      0  HE1 TYR A  22      -2.785  -2.210  -9.598  1.00  0.00           H   new
ATOM      0  HE2 TYR A  22      -1.258   1.558 -10.774  1.00  0.00           H   new
ATOM      0  HH  TYR A  22      -1.965  -0.896 -12.179  1.00  0.00           H   new
ATOM    369  N   TYR A  23       0.745  -2.772  -6.673  1.00  0.00           N
ATOM    370  CA  TYR A  23       0.924  -4.000  -7.498  1.00  0.00           C
ATOM    371  C   TYR A  23      -0.220  -4.084  -8.520  1.00  0.00           C
ATOM    372  O   TYR A  23      -1.382  -4.124  -8.148  1.00  0.00           O
ATOM    373  CB  TYR A  23       0.885  -5.196  -6.576  1.00  0.00           C
ATOM    374  CG  TYR A  23       1.231  -6.459  -7.376  1.00  0.00           C
ATOM    375  CD1 TYR A  23       2.510  -6.696  -7.840  1.00  0.00           C
ATOM    376  CD2 TYR A  23       0.244  -7.377  -7.646  1.00  0.00           C
ATOM    377  CE1 TYR A  23       2.789  -7.848  -8.563  1.00  0.00           C
ATOM    378  CE2 TYR A  23       0.533  -8.518  -8.365  1.00  0.00           C
ATOM    379  CZ  TYR A  23       1.789  -8.757  -8.823  1.00  0.00           C
ATOM    380  OH  TYR A  23       2.015  -9.917  -9.525  1.00  0.00           O
ATOM      0  H   TYR A  23       0.268  -2.919  -5.784  1.00  0.00           H   new
ATOM      0  HA  TYR A  23       1.875  -3.976  -8.030  1.00  0.00           H   new
ATOM      0  HB2 TYR A  23       1.593  -5.063  -5.758  1.00  0.00           H   new
ATOM      0  HB3 TYR A  23      -0.104  -5.294  -6.129  1.00  0.00           H   new
ATOM      0  HD1 TYR A  23       3.296  -5.983  -7.640  1.00  0.00           H   new
ATOM      0  HD2 TYR A  23      -0.762  -7.204  -7.294  1.00  0.00           H   new
ATOM      0  HE1 TYR A  23       3.791  -8.031  -8.922  1.00  0.00           H   new
ATOM      0  HE2 TYR A  23      -0.252  -9.232  -8.567  1.00  0.00           H   new
ATOM      0  HH  TYR A  23       2.846 -10.332  -9.212  1.00  0.00           H   new
ATOM    390  N   ASP A  24       0.176  -4.121  -9.750  1.00  0.00           N
ATOM    391  CA  ASP A  24      -0.764  -4.198 -10.886  1.00  0.00           C
ATOM    392  C   ASP A  24      -0.856  -5.670 -11.416  1.00  0.00           C
ATOM    393  O   ASP A  24      -0.072  -6.074 -12.256  1.00  0.00           O
ATOM    394  CB  ASP A  24      -0.204  -3.183 -11.890  1.00  0.00           C
ATOM    395  CG  ASP A  24      -1.070  -3.087 -13.125  1.00  0.00           C
ATOM    396  OD1 ASP A  24      -1.591  -4.108 -13.537  1.00  0.00           O
ATOM    397  OD2 ASP A  24      -1.134  -1.970 -13.579  1.00  0.00           O
ATOM      0  H   ASP A  24       1.158  -4.100 -10.026  1.00  0.00           H   new
ATOM      0  HA  ASP A  24      -1.797  -3.951 -10.641  1.00  0.00           H   new
ATOM      0  HB2 ASP A  24      -0.134  -2.203 -11.417  1.00  0.00           H   new
ATOM      0  HB3 ASP A  24       0.807  -3.473 -12.176  1.00  0.00           H   new
ATOM    402  N   PRO A  25      -1.787  -6.454 -10.919  1.00  0.00           N
ATOM    403  CA  PRO A  25      -1.970  -7.866 -11.384  1.00  0.00           C
ATOM    404  C   PRO A  25      -2.022  -8.075 -12.928  1.00  0.00           C
ATOM    405  O   PRO A  25      -1.865  -9.192 -13.387  1.00  0.00           O
ATOM    406  CB  PRO A  25      -3.255  -8.302 -10.630  1.00  0.00           C
ATOM    407  CG  PRO A  25      -3.951  -6.955 -10.326  1.00  0.00           C
ATOM    408  CD  PRO A  25      -2.790  -6.075  -9.883  1.00  0.00           C
ATOM      0  HA  PRO A  25      -1.103  -8.486 -11.156  1.00  0.00           H   new
ATOM      0  HB2 PRO A  25      -3.881  -8.951 -11.241  1.00  0.00           H   new
ATOM      0  HB3 PRO A  25      -3.022  -8.851  -9.718  1.00  0.00           H   new
ATOM      0  HG2 PRO A  25      -4.454  -6.551 -11.205  1.00  0.00           H   new
ATOM      0  HG3 PRO A  25      -4.705  -7.055  -9.545  1.00  0.00           H   new
ATOM      0  HD2 PRO A  25      -3.036  -5.013  -9.906  1.00  0.00           H   new
ATOM      0  HD3 PRO A  25      -2.454  -6.302  -8.871  1.00  0.00           H   new
ATOM    416  N   ASN A  26      -2.220  -7.021 -13.679  1.00  0.00           N
ATOM    417  CA  ASN A  26      -2.290  -7.121 -15.180  1.00  0.00           C
ATOM    418  C   ASN A  26      -0.885  -6.999 -15.824  1.00  0.00           C
ATOM    419  O   ASN A  26      -0.679  -7.317 -16.978  1.00  0.00           O
ATOM    420  CB  ASN A  26      -3.255  -6.000 -15.649  1.00  0.00           C
ATOM    421  CG  ASN A  26      -4.667  -6.309 -15.200  1.00  0.00           C
ATOM    422  OD1 ASN A  26      -4.992  -6.481 -14.051  1.00  0.00           O
ATOM    423  ND2 ASN A  26      -5.608  -6.404 -16.067  1.00  0.00           N
ATOM      0  H   ASN A  26      -2.339  -6.076 -13.314  1.00  0.00           H   new
ATOM      0  HA  ASN A  26      -2.662  -8.096 -15.494  1.00  0.00           H   new
ATOM      0  HB2 ASN A  26      -2.937  -5.041 -15.241  1.00  0.00           H   new
ATOM      0  HB3 ASN A  26      -3.221  -5.911 -16.735  1.00  0.00           H   new
ATOM      0 HD21 ASN A  26      -6.560  -6.613 -15.766  1.00  0.00           H   new
ATOM      0 HD22 ASN A  26      -5.404  -6.270 -17.057  1.00  0.00           H   new
ATOM    430  N   THR A  27       0.043  -6.533 -15.044  1.00  0.00           N
ATOM    431  CA  THR A  27       1.486  -6.353 -15.480  1.00  0.00           C
ATOM    432  C   THR A  27       2.319  -7.403 -14.740  1.00  0.00           C
ATOM    433  O   THR A  27       3.203  -8.041 -15.272  1.00  0.00           O
ATOM    434  CB  THR A  27       2.062  -4.977 -15.076  1.00  0.00           C
ATOM    435  OG1 THR A  27       1.987  -4.917 -13.657  1.00  0.00           O
ATOM    436  CG2 THR A  27       1.177  -3.838 -15.497  1.00  0.00           C
ATOM      0  H   THR A  27      -0.130  -6.253 -14.079  1.00  0.00           H   new
ATOM      0  HA  THR A  27       1.521  -6.443 -16.566  1.00  0.00           H   new
ATOM      0  HB  THR A  27       3.053  -4.889 -15.522  1.00  0.00           H   new
ATOM      0  HG1 THR A  27       2.806  -4.512 -13.303  1.00  0.00           H   new
ATOM      0 HG21 THR A  27       1.627  -2.894 -15.189  1.00  0.00           H   new
ATOM      0 HG22 THR A  27       1.061  -3.848 -16.581  1.00  0.00           H   new
ATOM      0 HG23 THR A  27       0.199  -3.944 -15.027  1.00  0.00           H   new
ATOM    444  N   LYS A  28       1.962  -7.506 -13.494  1.00  0.00           N
ATOM    445  CA  LYS A  28       2.511  -8.394 -12.440  1.00  0.00           C
ATOM    446  C   LYS A  28       3.756  -7.736 -11.864  1.00  0.00           C
ATOM    447  O   LYS A  28       4.737  -8.338 -11.483  1.00  0.00           O
ATOM    448  CB  LYS A  28       2.860  -9.791 -13.020  1.00  0.00           C
ATOM    449  CG  LYS A  28       1.602 -10.463 -13.610  1.00  0.00           C
ATOM    450  CD  LYS A  28       2.000 -11.940 -14.044  1.00  0.00           C
ATOM    451  CE  LYS A  28       2.630 -12.716 -12.878  1.00  0.00           C
ATOM    452  NZ  LYS A  28       1.681 -12.622 -11.741  1.00  0.00           N
ATOM      0  H   LYS A  28       1.208  -6.926 -13.126  1.00  0.00           H   new
ATOM      0  HA  LYS A  28       1.765  -8.539 -11.658  1.00  0.00           H   new
ATOM      0  HB2 LYS A  28       3.622  -9.690 -13.793  1.00  0.00           H   new
ATOM      0  HB3 LYS A  28       3.282 -10.421 -12.237  1.00  0.00           H   new
ATOM      0  HG2 LYS A  28       0.799 -10.484 -12.873  1.00  0.00           H   new
ATOM      0  HG3 LYS A  28       1.234  -9.899 -14.467  1.00  0.00           H   new
ATOM      0  HD2 LYS A  28       1.115 -12.468 -14.398  1.00  0.00           H   new
ATOM      0  HD3 LYS A  28       2.701 -11.899 -14.877  1.00  0.00           H   new
ATOM      0  HE2 LYS A  28       2.802 -13.756 -13.154  1.00  0.00           H   new
ATOM      0  HE3 LYS A  28       3.598 -12.293 -12.610  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  28       1.676 -13.521 -11.217  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  28       1.975 -11.853 -11.106  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  28       0.725 -12.427 -12.102  1.00  0.00           H   new
ATOM    466  N   SER A  29       3.683  -6.449 -11.829  1.00  0.00           N
ATOM    467  CA  SER A  29       4.787  -5.634 -11.300  1.00  0.00           C
ATOM    468  C   SER A  29       4.133  -4.502 -10.467  1.00  0.00           C
ATOM    469  O   SER A  29       3.021  -4.649  -9.998  1.00  0.00           O
ATOM    470  CB  SER A  29       5.570  -5.142 -12.534  1.00  0.00           C
ATOM    471  OG  SER A  29       4.726  -4.152 -13.120  1.00  0.00           O
ATOM      0  H   SER A  29       2.879  -5.913 -12.155  1.00  0.00           H   new
ATOM      0  HA  SER A  29       5.486  -6.155 -10.645  1.00  0.00           H   new
ATOM      0  HB2 SER A  29       6.536  -4.723 -12.251  1.00  0.00           H   new
ATOM      0  HB3 SER A  29       5.768  -5.957 -13.230  1.00  0.00           H   new
ATOM      0  HG  SER A  29       5.158  -3.785 -13.919  1.00  0.00           H   new
ATOM    477  N   CYS A  30       4.792  -3.395 -10.304  1.00  0.00           N
ATOM    478  CA  CYS A  30       4.227  -2.273  -9.508  1.00  0.00           C
ATOM    479  C   CYS A  30       4.356  -0.932 -10.260  1.00  0.00           C
ATOM    480  O   CYS A  30       5.386  -0.634 -10.837  1.00  0.00           O
ATOM    481  CB  CYS A  30       4.989  -2.315  -8.193  1.00  0.00           C
ATOM    482  SG  CYS A  30       4.979  -3.905  -7.336  1.00  0.00           S
ATOM      0  H   CYS A  30       5.716  -3.215 -10.696  1.00  0.00           H   new
ATOM      0  HA  CYS A  30       3.156  -2.370  -9.333  1.00  0.00           H   new
ATOM      0  HB2 CYS A  30       6.024  -2.032  -8.384  1.00  0.00           H   new
ATOM      0  HB3 CYS A  30       4.570  -1.561  -7.527  1.00  0.00           H   new
ATOM    487  N   ALA A  31       3.323  -0.147 -10.226  1.00  0.00           N
ATOM    488  CA  ALA A  31       3.321   1.169 -10.915  1.00  0.00           C
ATOM    489  C   ALA A  31       3.035   2.241  -9.857  1.00  0.00           C
ATOM    490  O   ALA A  31       2.721   1.932  -8.731  1.00  0.00           O
ATOM    491  CB  ALA A  31       2.237   1.075 -12.019  1.00  0.00           C
ATOM      0  H   ALA A  31       2.456  -0.368  -9.736  1.00  0.00           H   new
ATOM      0  HA  ALA A  31       4.267   1.434 -11.387  1.00  0.00           H   new
ATOM      0  HB1 ALA A  31       2.189   2.018 -12.563  1.00  0.00           H   new
ATOM      0  HB2 ALA A  31       2.490   0.271 -12.710  1.00  0.00           H   new
ATOM      0  HB3 ALA A  31       1.269   0.870 -11.562  1.00  0.00           H   new
ATOM    497  N   ARG A  32       3.137   3.465 -10.245  1.00  0.00           N
ATOM    498  CA  ARG A  32       2.895   4.609  -9.315  1.00  0.00           C
ATOM    499  C   ARG A  32       1.517   5.284  -9.424  1.00  0.00           C
ATOM    500  O   ARG A  32       0.946   5.408 -10.487  1.00  0.00           O
ATOM    501  CB  ARG A  32       4.028   5.641  -9.564  1.00  0.00           C
ATOM    502  CG  ARG A  32       5.098   5.469  -8.451  1.00  0.00           C
ATOM    503  CD  ARG A  32       6.343   6.329  -8.699  1.00  0.00           C
ATOM    504  NE  ARG A  32       6.931   5.797  -9.980  1.00  0.00           N
ATOM    505  CZ  ARG A  32       7.216   6.531 -10.968  1.00  0.00           C
ATOM    506  NH1 ARG A  32       6.280   7.160 -11.509  1.00  0.00           N
ATOM    507  NH2 ARG A  32       8.409   6.582 -11.342  1.00  0.00           N
ATOM      0  H   ARG A  32       3.385   3.741 -11.195  1.00  0.00           H   new
ATOM      0  HA  ARG A  32       2.900   4.208  -8.301  1.00  0.00           H   new
ATOM      0  HB2 ARG A  32       4.474   5.486 -10.546  1.00  0.00           H   new
ATOM      0  HB3 ARG A  32       3.628   6.655  -9.552  1.00  0.00           H   new
ATOM      0  HG2 ARG A  32       4.662   5.735  -7.488  1.00  0.00           H   new
ATOM      0  HG3 ARG A  32       5.390   4.421  -8.391  1.00  0.00           H   new
ATOM      0  HD2 ARG A  32       6.083   7.384  -8.791  1.00  0.00           H   new
ATOM      0  HD3 ARG A  32       7.051   6.246  -7.875  1.00  0.00           H   new
ATOM      0  HE  ARG A  32       7.108   4.795 -10.053  1.00  0.00           H   new
ATOM      0 HH11 ARG A  32       5.330   7.069 -11.150  1.00  0.00           H   new
ATOM      0 HH12 ARG A  32       6.467   7.764 -12.309  1.00  0.00           H   new
ATOM      0 HH21 ARG A  32       9.121   6.040 -10.852  1.00  0.00           H   new
ATOM      0 HH22 ARG A  32       8.670   7.166 -12.137  1.00  0.00           H   new
ATOM    521  N   PHE A  33       1.038   5.703  -8.290  1.00  0.00           N
ATOM    522  CA  PHE A  33      -0.298   6.387  -8.209  1.00  0.00           C
ATOM    523  C   PHE A  33      -0.372   7.506  -7.123  1.00  0.00           C
ATOM    524  O   PHE A  33       0.502   7.622  -6.287  1.00  0.00           O
ATOM    525  CB  PHE A  33      -1.363   5.256  -7.962  1.00  0.00           C
ATOM    526  CG  PHE A  33      -1.372   4.734  -6.518  1.00  0.00           C
ATOM    527  CD1 PHE A  33      -0.326   4.005  -5.992  1.00  0.00           C
ATOM    528  CD2 PHE A  33      -2.461   4.996  -5.718  1.00  0.00           C
ATOM    529  CE1 PHE A  33      -0.377   3.552  -4.687  1.00  0.00           C
ATOM    530  CE2 PHE A  33      -2.512   4.545  -4.420  1.00  0.00           C
ATOM    531  CZ  PHE A  33      -1.471   3.825  -3.905  1.00  0.00           C
ATOM      0  H   PHE A  33       1.517   5.603  -7.395  1.00  0.00           H   new
ATOM      0  HA  PHE A  33      -0.490   6.920  -9.140  1.00  0.00           H   new
ATOM      0  HB2 PHE A  33      -2.353   5.639  -8.208  1.00  0.00           H   new
ATOM      0  HB3 PHE A  33      -1.165   4.426  -8.640  1.00  0.00           H   new
ATOM      0  HD1 PHE A  33       0.537   3.787  -6.603  1.00  0.00           H   new
ATOM      0  HD2 PHE A  33      -3.288   5.565  -6.116  1.00  0.00           H   new
ATOM      0  HE1 PHE A  33       0.446   2.982  -4.282  1.00  0.00           H   new
ATOM      0  HE2 PHE A  33      -3.375   4.760  -3.807  1.00  0.00           H   new
ATOM      0  HZ  PHE A  33      -1.509   3.472  -2.885  1.00  0.00           H   new
ATOM    541  N   TRP A  34      -1.429   8.268  -7.183  1.00  0.00           N
ATOM    542  CA  TRP A  34      -1.722   9.420  -6.244  1.00  0.00           C
ATOM    543  C   TRP A  34      -2.928   9.063  -5.325  1.00  0.00           C
ATOM    544  O   TRP A  34      -4.009   8.923  -5.860  1.00  0.00           O
ATOM    545  CB  TRP A  34      -2.050  10.672  -7.138  1.00  0.00           C
ATOM    546  CG  TRP A  34      -0.802  11.409  -7.549  1.00  0.00           C
ATOM    547  CD1 TRP A  34      -0.473  11.457  -8.835  1.00  0.00           C
ATOM    548  CD2 TRP A  34       0.094  12.081  -6.795  1.00  0.00           C
ATOM    549  NE1 TRP A  34       0.638  12.168  -8.840  1.00  0.00           N
ATOM    550  CE2 TRP A  34       1.060  12.590  -7.660  1.00  0.00           C
ATOM    551  CE3 TRP A  34       0.203  12.347  -5.423  1.00  0.00           C
ATOM    552  CZ2 TRP A  34       2.119  13.344  -7.187  1.00  0.00           C
ATOM    553  CZ3 TRP A  34       1.269  13.111  -4.949  1.00  0.00           C
ATOM    554  CH2 TRP A  34       2.227  13.610  -5.825  1.00  0.00           C
ATOM      0  H   TRP A  34      -2.155   8.138  -7.888  1.00  0.00           H   new
ATOM      0  HA  TRP A  34      -0.869   9.629  -5.598  1.00  0.00           H   new
ATOM      0  HB2 TRP A  34      -2.592  10.351  -8.028  1.00  0.00           H   new
ATOM      0  HB3 TRP A  34      -2.707  11.347  -6.590  1.00  0.00           H   new
ATOM      0  HD1 TRP A  34      -0.991  11.019  -9.675  1.00  0.00           H   new
ATOM      0  HE1 TRP A  34       1.141  12.379  -9.702  1.00  0.00           H   new
ATOM      0  HE3 TRP A  34      -0.536  11.962  -4.736  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  34       2.861  13.726  -7.873  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  34       1.351  13.317  -3.892  1.00  0.00           H   new
ATOM      0  HH2 TRP A  34       3.050  14.201  -5.451  1.00  0.00           H   new
ATOM    565  N   TYR A  35      -2.772   8.922  -4.028  1.00  0.00           N
ATOM    566  CA  TYR A  35      -3.981   8.572  -3.185  1.00  0.00           C
ATOM    567  C   TYR A  35      -4.309   9.436  -1.960  1.00  0.00           C
ATOM    568  O   TYR A  35      -5.446   9.769  -1.698  1.00  0.00           O
ATOM    569  CB  TYR A  35      -3.819   7.088  -2.764  1.00  0.00           C
ATOM    570  CG  TYR A  35      -3.366   6.775  -1.321  1.00  0.00           C
ATOM    571  CD1 TYR A  35      -2.037   6.782  -0.946  1.00  0.00           C
ATOM    572  CD2 TYR A  35      -4.315   6.448  -0.368  1.00  0.00           C
ATOM    573  CE1 TYR A  35      -1.678   6.461   0.355  1.00  0.00           C
ATOM    574  CE2 TYR A  35      -3.945   6.130   0.925  1.00  0.00           C
ATOM    575  CZ  TYR A  35      -2.628   6.133   1.287  1.00  0.00           C
ATOM    576  OH  TYR A  35      -2.271   5.794   2.571  1.00  0.00           O
ATOM      0  H   TYR A  35      -1.893   9.028  -3.522  1.00  0.00           H   new
ATOM      0  HA  TYR A  35      -4.840   8.775  -3.825  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35      -4.776   6.592  -2.926  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35      -3.102   6.627  -3.444  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35      -1.275   7.038  -1.667  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35      -5.360   6.441  -0.639  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35      -0.636   6.470   0.637  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35      -4.701   5.878   1.653  1.00  0.00           H   new
ATOM      0  HH  TYR A  35      -2.838   6.279   3.207  1.00  0.00           H   new
ATOM    586  N   GLY A  36      -3.289   9.767  -1.230  1.00  0.00           N
ATOM    587  CA  GLY A  36      -3.480  10.611   0.006  1.00  0.00           C
ATOM    588  C   GLY A  36      -2.978   9.836   1.187  1.00  0.00           C
ATOM    589  O   GLY A  36      -2.107   9.011   1.025  1.00  0.00           O
ATOM      0  H   GLY A  36      -2.325   9.497  -1.424  1.00  0.00           H   new
ATOM      0  HA2 GLY A  36      -2.938  11.552  -0.089  1.00  0.00           H   new
ATOM      0  HA3 GLY A  36      -4.533  10.862   0.136  1.00  0.00           H   new
ATOM    593  N   GLY A  37      -3.496  10.089   2.339  1.00  0.00           N
ATOM    594  CA  GLY A  37      -3.019   9.328   3.539  1.00  0.00           C
ATOM    595  C   GLY A  37      -4.117   8.533   4.203  1.00  0.00           C
ATOM    596  O   GLY A  37      -4.050   7.320   4.172  1.00  0.00           O
ATOM      0  H   GLY A  37      -4.224  10.781   2.517  1.00  0.00           H   new
ATOM      0  HA2 GLY A  37      -2.218   8.652   3.240  1.00  0.00           H   new
ATOM      0  HA3 GLY A  37      -2.595  10.026   4.261  1.00  0.00           H   new
ATOM    600  N   CYS A  38      -5.066   9.238   4.748  1.00  0.00           N
ATOM    601  CA  CYS A  38      -6.244   8.621   5.467  1.00  0.00           C
ATOM    602  C   CYS A  38      -6.422   7.078   5.475  1.00  0.00           C
ATOM    603  O   CYS A  38      -6.198   6.469   6.502  1.00  0.00           O
ATOM    604  CB  CYS A  38      -7.502   9.291   4.895  1.00  0.00           C
ATOM    605  SG  CYS A  38      -7.703  11.039   5.298  1.00  0.00           S
ATOM      0  H   CYS A  38      -5.085  10.258   4.730  1.00  0.00           H   new
ATOM      0  HA  CYS A  38      -6.050   8.808   6.523  1.00  0.00           H   new
ATOM      0  HB2 CYS A  38      -7.487   9.186   3.810  1.00  0.00           H   new
ATOM      0  HB3 CYS A  38      -8.377   8.750   5.256  1.00  0.00           H   new
ATOM    610  N   GLY A  39      -6.819   6.465   4.381  1.00  0.00           N
ATOM    611  CA  GLY A  39      -6.990   4.956   4.396  1.00  0.00           C
ATOM    612  C   GLY A  39      -6.404   4.089   3.273  1.00  0.00           C
ATOM    613  O   GLY A  39      -5.319   3.557   3.396  1.00  0.00           O
ATOM      0  H   GLY A  39      -7.030   6.923   3.494  1.00  0.00           H   new
ATOM      0  HA2 GLY A  39      -6.567   4.595   5.334  1.00  0.00           H   new
ATOM      0  HA3 GLY A  39      -8.061   4.755   4.431  1.00  0.00           H   new
ATOM    617  N   GLY A  40      -7.120   3.969   2.184  1.00  0.00           N
ATOM    618  CA  GLY A  40      -6.667   3.121   0.994  1.00  0.00           C
ATOM    619  C   GLY A  40      -6.339   1.654   1.384  1.00  0.00           C
ATOM    620  O   GLY A  40      -6.212   1.350   2.552  1.00  0.00           O
ATOM      0  H   GLY A  40      -8.022   4.426   2.049  1.00  0.00           H   new
ATOM      0  HA2 GLY A  40      -7.449   3.123   0.235  1.00  0.00           H   new
ATOM      0  HA3 GLY A  40      -5.785   3.577   0.544  1.00  0.00           H   new
ATOM    624  N   ASN A  41      -6.174   0.741   0.472  1.00  0.00           N
ATOM    625  CA  ASN A  41      -5.859  -0.672   0.896  1.00  0.00           C
ATOM    626  C   ASN A  41      -4.342  -1.068   0.852  1.00  0.00           C
ATOM    627  O   ASN A  41      -3.525  -0.446   0.188  1.00  0.00           O
ATOM    628  CB  ASN A  41      -6.694  -1.640  -0.010  1.00  0.00           C
ATOM    629  CG  ASN A  41      -6.291  -1.610  -1.470  1.00  0.00           C
ATOM    630  OD1 ASN A  41      -5.139  -1.717  -1.826  1.00  0.00           O
ATOM    631  ND2 ASN A  41      -7.192  -1.472  -2.374  1.00  0.00           N
ATOM      0  H   ASN A  41      -6.240   0.895  -0.534  1.00  0.00           H   new
ATOM      0  HA  ASN A  41      -6.127  -0.751   1.950  1.00  0.00           H   new
ATOM      0  HB2 ASN A  41      -6.587  -2.657   0.366  1.00  0.00           H   new
ATOM      0  HB3 ASN A  41      -7.749  -1.379   0.072  1.00  0.00           H   new
ATOM      0 HD21 ASN A  41      -6.928  -1.455  -3.359  1.00  0.00           H   new
ATOM      0 HD22 ASN A  41      -8.172  -1.379  -2.107  1.00  0.00           H   new
ATOM    638  N   GLU A  42      -4.031  -2.086   1.596  1.00  0.00           N
ATOM    639  CA  GLU A  42      -2.688  -2.731   1.783  1.00  0.00           C
ATOM    640  C   GLU A  42      -1.711  -2.496   0.615  1.00  0.00           C
ATOM    641  O   GLU A  42      -0.636  -1.967   0.794  1.00  0.00           O
ATOM    642  CB  GLU A  42      -2.939  -4.264   2.004  1.00  0.00           C
ATOM    643  CG  GLU A  42      -4.212  -4.564   2.907  1.00  0.00           C
ATOM    644  CD  GLU A  42      -5.520  -4.273   2.170  1.00  0.00           C
ATOM    645  OE1 GLU A  42      -5.702  -4.832   1.113  1.00  0.00           O
ATOM    646  OE2 GLU A  42      -6.252  -3.471   2.716  1.00  0.00           O
ATOM      0  H   GLU A  42      -4.745  -2.556   2.152  1.00  0.00           H   new
ATOM      0  HA  GLU A  42      -2.200  -2.273   2.643  1.00  0.00           H   new
ATOM      0  HB2 GLU A  42      -3.066  -4.749   1.036  1.00  0.00           H   new
ATOM      0  HB3 GLU A  42      -2.058  -4.707   2.469  1.00  0.00           H   new
ATOM      0  HG2 GLU A  42      -4.197  -5.608   3.219  1.00  0.00           H   new
ATOM      0  HG3 GLU A  42      -4.164  -3.960   3.813  1.00  0.00           H   new
ATOM    653  N   ASN A  43      -2.158  -2.898  -0.544  1.00  0.00           N
ATOM    654  CA  ASN A  43      -1.420  -2.800  -1.872  1.00  0.00           C
ATOM    655  C   ASN A  43      -0.621  -1.470  -2.160  1.00  0.00           C
ATOM    656  O   ASN A  43       0.000  -1.307  -3.184  1.00  0.00           O
ATOM    657  CB  ASN A  43      -2.549  -3.122  -2.933  1.00  0.00           C
ATOM    658  CG  ASN A  43      -2.132  -3.229  -4.390  1.00  0.00           C
ATOM    659  OD1 ASN A  43      -1.430  -2.425  -4.941  1.00  0.00           O
ATOM    660  ND2 ASN A  43      -2.543  -4.205  -5.107  1.00  0.00           N
ATOM      0  H   ASN A  43      -3.078  -3.327  -0.643  1.00  0.00           H   new
ATOM      0  HA  ASN A  43      -0.582  -3.496  -1.895  1.00  0.00           H   new
ATOM      0  HB2 ASN A  43      -3.020  -4.063  -2.648  1.00  0.00           H   new
ATOM      0  HB3 ASN A  43      -3.312  -2.348  -2.858  1.00  0.00           H   new
ATOM      0 HD21 ASN A  43      -2.271  -4.267  -6.088  1.00  0.00           H   new
ATOM      0 HD22 ASN A  43      -3.143  -4.921  -4.698  1.00  0.00           H   new
ATOM    667  N   LYS A  44      -0.653  -0.529  -1.263  1.00  0.00           N
ATOM    668  CA  LYS A  44       0.084   0.778  -1.447  1.00  0.00           C
ATOM    669  C   LYS A  44       1.503   0.772  -0.793  1.00  0.00           C
ATOM    670  O   LYS A  44       1.686   0.885   0.405  1.00  0.00           O
ATOM    671  CB  LYS A  44      -0.818   1.913  -0.854  1.00  0.00           C
ATOM    672  CG  LYS A  44      -1.187   1.677   0.628  1.00  0.00           C
ATOM    673  CD  LYS A  44      -1.994   2.935   1.046  1.00  0.00           C
ATOM    674  CE  LYS A  44      -2.595   2.802   2.437  1.00  0.00           C
ATOM    675  NZ  LYS A  44      -3.622   1.728   2.329  1.00  0.00           N
ATOM      0  H   LYS A  44      -1.167  -0.600  -0.385  1.00  0.00           H   new
ATOM      0  HA  LYS A  44       0.263   0.944  -2.509  1.00  0.00           H   new
ATOM      0  HB2 LYS A  44      -0.300   2.867  -0.946  1.00  0.00           H   new
ATOM      0  HB3 LYS A  44      -1.732   1.988  -1.443  1.00  0.00           H   new
ATOM      0  HG2 LYS A  44      -1.780   0.770   0.748  1.00  0.00           H   new
ATOM      0  HG3 LYS A  44      -0.295   1.558   1.243  1.00  0.00           H   new
ATOM      0  HD2 LYS A  44      -1.342   3.808   1.017  1.00  0.00           H   new
ATOM      0  HD3 LYS A  44      -2.792   3.108   0.324  1.00  0.00           H   new
ATOM      0  HE2 LYS A  44      -1.832   2.542   3.170  1.00  0.00           H   new
ATOM      0  HE3 LYS A  44      -3.043   3.741   2.762  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  44      -4.517   2.061   2.740  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  44      -3.769   1.487   1.328  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  44      -3.298   0.885   2.844  1.00  0.00           H   new
ATOM    689  N   PHE A  45       2.506   0.700  -1.617  1.00  0.00           N
ATOM    690  CA  PHE A  45       3.929   0.662  -1.152  1.00  0.00           C
ATOM    691  C   PHE A  45       4.683   1.981  -1.426  1.00  0.00           C
ATOM    692  O   PHE A  45       4.283   2.749  -2.264  1.00  0.00           O
ATOM    693  CB  PHE A  45       4.589  -0.517  -1.887  1.00  0.00           C
ATOM    694  CG  PHE A  45       3.834  -1.828  -1.604  1.00  0.00           C
ATOM    695  CD1 PHE A  45       4.049  -2.500  -0.422  1.00  0.00           C
ATOM    696  CD2 PHE A  45       2.952  -2.367  -2.520  1.00  0.00           C
ATOM    697  CE1 PHE A  45       3.409  -3.690  -0.146  1.00  0.00           C
ATOM    698  CE2 PHE A  45       2.308  -3.558  -2.250  1.00  0.00           C
ATOM    699  CZ  PHE A  45       2.534  -4.220  -1.067  1.00  0.00           C
ATOM      0  H   PHE A  45       2.400   0.664  -2.631  1.00  0.00           H   new
ATOM      0  HA  PHE A  45       3.966   0.535  -0.070  1.00  0.00           H   new
ATOM      0  HB2 PHE A  45       4.600  -0.323  -2.959  1.00  0.00           H   new
ATOM      0  HB3 PHE A  45       5.627  -0.614  -1.570  1.00  0.00           H   new
ATOM      0  HD1 PHE A  45       4.733  -2.087   0.304  1.00  0.00           H   new
ATOM      0  HD2 PHE A  45       2.765  -1.854  -3.452  1.00  0.00           H   new
ATOM      0  HE1 PHE A  45       3.593  -4.203   0.787  1.00  0.00           H   new
ATOM      0  HE2 PHE A  45       1.622  -3.972  -2.974  1.00  0.00           H   new
ATOM      0  HZ  PHE A  45       2.028  -5.151  -0.861  1.00  0.00           H   new
ATOM    709  N   GLY A  46       5.732   2.250  -0.720  1.00  0.00           N
ATOM    710  CA  GLY A  46       6.580   3.501  -0.895  1.00  0.00           C
ATOM    711  C   GLY A  46       7.575   3.332  -2.067  1.00  0.00           C
ATOM    712  O   GLY A  46       8.000   4.296  -2.669  1.00  0.00           O
ATOM      0  H   GLY A  46       6.073   1.633   0.017  1.00  0.00           H   new
ATOM      0  HA2 GLY A  46       5.935   4.360  -1.081  1.00  0.00           H   new
ATOM      0  HA3 GLY A  46       7.127   3.706   0.025  1.00  0.00           H   new
ATOM    716  N   SER A  47       7.925   2.115  -2.377  1.00  0.00           N
ATOM    717  CA  SER A  47       8.895   1.828  -3.515  1.00  0.00           C
ATOM    718  C   SER A  47       8.531   0.636  -4.413  1.00  0.00           C
ATOM    719  O   SER A  47       7.840  -0.293  -4.042  1.00  0.00           O
ATOM    720  CB  SER A  47      10.366   1.571  -2.987  1.00  0.00           C
ATOM    721  OG  SER A  47      11.093   1.029  -4.101  1.00  0.00           O
ATOM      0  H   SER A  47       7.585   1.284  -1.894  1.00  0.00           H   new
ATOM      0  HA  SER A  47       8.829   2.735  -4.115  1.00  0.00           H   new
ATOM      0  HB2 SER A  47      10.822   2.496  -2.635  1.00  0.00           H   new
ATOM      0  HB3 SER A  47      10.364   0.877  -2.147  1.00  0.00           H   new
ATOM      0  HG  SER A  47      12.018   0.850  -3.832  1.00  0.00           H   new
ATOM    727  N   GLN A  48       9.044   0.702  -5.606  1.00  0.00           N
ATOM    728  CA  GLN A  48       8.805  -0.372  -6.626  1.00  0.00           C
ATOM    729  C   GLN A  48       9.218  -1.739  -6.042  1.00  0.00           C
ATOM    730  O   GLN A  48       8.529  -2.733  -6.137  1.00  0.00           O
ATOM    731  CB  GLN A  48       9.634   0.003  -7.886  1.00  0.00           C
ATOM    732  CG  GLN A  48       9.472  -1.090  -9.012  1.00  0.00           C
ATOM    733  CD  GLN A  48      10.266  -2.370  -8.773  1.00  0.00           C
ATOM    734  OE1 GLN A  48      11.476  -2.403  -8.706  1.00  0.00           O
ATOM    735  NE2 GLN A  48       9.634  -3.477  -8.638  1.00  0.00           N
ATOM      0  H   GLN A  48       9.633   1.469  -5.931  1.00  0.00           H   new
ATOM      0  HA  GLN A  48       7.752  -0.450  -6.897  1.00  0.00           H   new
ATOM      0  HB2 GLN A  48       9.309   0.972  -8.265  1.00  0.00           H   new
ATOM      0  HB3 GLN A  48      10.686   0.102  -7.618  1.00  0.00           H   new
ATOM      0  HG2 GLN A  48       8.416  -1.345  -9.104  1.00  0.00           H   new
ATOM      0  HG3 GLN A  48       9.780  -0.660  -9.965  1.00  0.00           H   new
ATOM      0 HE21 GLN A  48       8.615  -3.492  -8.688  1.00  0.00           H   new
ATOM      0 HE22 GLN A  48      10.150  -4.343  -8.481  1.00  0.00           H   new
ATOM    744  N   LYS A  49      10.364  -1.720  -5.423  1.00  0.00           N
ATOM    745  CA  LYS A  49      10.923  -2.946  -4.802  1.00  0.00           C
ATOM    746  C   LYS A  49      10.072  -3.372  -3.609  1.00  0.00           C
ATOM    747  O   LYS A  49       9.778  -4.539  -3.476  1.00  0.00           O
ATOM    748  CB  LYS A  49      12.396  -2.613  -4.420  1.00  0.00           C
ATOM    749  CG  LYS A  49      13.262  -2.657  -5.705  1.00  0.00           C
ATOM    750  CD  LYS A  49      13.738  -4.135  -5.925  1.00  0.00           C
ATOM    751  CE  LYS A  49      14.179  -4.374  -7.371  1.00  0.00           C
ATOM    752  NZ  LYS A  49      12.935  -4.469  -8.160  1.00  0.00           N
ATOM      0  H   LYS A  49      10.946  -0.889  -5.321  1.00  0.00           H   new
ATOM      0  HA  LYS A  49      10.910  -3.797  -5.483  1.00  0.00           H   new
ATOM      0  HB2 LYS A  49      12.454  -1.627  -3.959  1.00  0.00           H   new
ATOM      0  HB3 LYS A  49      12.768  -3.330  -3.688  1.00  0.00           H   new
ATOM      0  HG2 LYS A  49      12.686  -2.311  -6.563  1.00  0.00           H   new
ATOM      0  HG3 LYS A  49      14.120  -1.992  -5.608  1.00  0.00           H   new
ATOM      0  HD2 LYS A  49      14.565  -4.356  -5.250  1.00  0.00           H   new
ATOM      0  HD3 LYS A  49      12.929  -4.820  -5.673  1.00  0.00           H   new
ATOM      0  HE2 LYS A  49      14.807  -3.558  -7.728  1.00  0.00           H   new
ATOM      0  HE3 LYS A  49      14.766  -5.289  -7.455  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  49      13.072  -5.137  -8.945  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  49      12.162  -4.805  -7.550  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  49      12.693  -3.532  -8.541  1.00  0.00           H   new
ATOM    766  N   GLU A  50       9.713  -2.433  -2.783  1.00  0.00           N
ATOM    767  CA  GLU A  50       8.863  -2.724  -1.585  1.00  0.00           C
ATOM    768  C   GLU A  50       7.671  -3.619  -2.046  1.00  0.00           C
ATOM    769  O   GLU A  50       7.436  -4.708  -1.559  1.00  0.00           O
ATOM    770  CB  GLU A  50       8.476  -1.366  -1.077  1.00  0.00           C
ATOM    771  CG  GLU A  50       7.516  -1.417   0.156  1.00  0.00           C
ATOM    772  CD  GLU A  50       7.049  -0.019   0.532  1.00  0.00           C
ATOM    773  OE1 GLU A  50       7.755   0.918   0.211  1.00  0.00           O
ATOM    774  OE2 GLU A  50       5.990   0.109   1.122  1.00  0.00           O
ATOM      0  H   GLU A  50       9.976  -1.453  -2.885  1.00  0.00           H   new
ATOM      0  HA  GLU A  50       9.345  -3.282  -0.782  1.00  0.00           H   new
ATOM      0  HB2 GLU A  50       9.377  -0.817  -0.804  1.00  0.00           H   new
ATOM      0  HB3 GLU A  50       7.995  -0.809  -1.881  1.00  0.00           H   new
ATOM      0  HG2 GLU A  50       6.655  -2.044  -0.073  1.00  0.00           H   new
ATOM      0  HG3 GLU A  50       8.027  -1.875   1.003  1.00  0.00           H   new
ATOM    781  N   CYS A  51       6.971  -3.086  -3.012  1.00  0.00           N
ATOM    782  CA  CYS A  51       5.779  -3.777  -3.625  1.00  0.00           C
ATOM    783  C   CYS A  51       6.169  -5.142  -4.266  1.00  0.00           C
ATOM    784  O   CYS A  51       5.626  -6.195  -3.973  1.00  0.00           O
ATOM    785  CB  CYS A  51       5.214  -2.817  -4.664  1.00  0.00           C
ATOM    786  SG  CYS A  51       3.884  -3.441  -5.712  1.00  0.00           S
ATOM      0  H   CYS A  51       7.176  -2.173  -3.419  1.00  0.00           H   new
ATOM      0  HA  CYS A  51       5.036  -4.012  -2.863  1.00  0.00           H   new
ATOM      0  HB2 CYS A  51       4.850  -1.931  -4.145  1.00  0.00           H   new
ATOM      0  HB3 CYS A  51       6.032  -2.495  -5.309  1.00  0.00           H   new
ATOM    791  N   GLU A  52       7.127  -5.082  -5.154  1.00  0.00           N
ATOM    792  CA  GLU A  52       7.633  -6.302  -5.865  1.00  0.00           C
ATOM    793  C   GLU A  52       7.920  -7.409  -4.829  1.00  0.00           C
ATOM    794  O   GLU A  52       7.462  -8.528  -4.921  1.00  0.00           O
ATOM    795  CB  GLU A  52       8.856  -5.802  -6.607  1.00  0.00           C
ATOM    796  CG  GLU A  52       9.560  -6.929  -7.405  1.00  0.00           C
ATOM    797  CD  GLU A  52      10.913  -6.430  -7.818  1.00  0.00           C
ATOM    798  OE1 GLU A  52      11.801  -6.456  -6.988  1.00  0.00           O
ATOM    799  OE2 GLU A  52      11.031  -6.009  -8.947  1.00  0.00           O
ATOM      0  H   GLU A  52       7.594  -4.217  -5.425  1.00  0.00           H   new
ATOM      0  HA  GLU A  52       6.933  -6.757  -6.565  1.00  0.00           H   new
ATOM      0  HB2 GLU A  52       8.563  -5.004  -7.290  1.00  0.00           H   new
ATOM      0  HB3 GLU A  52       9.559  -5.370  -5.895  1.00  0.00           H   new
ATOM      0  HG2 GLU A  52       9.655  -7.826  -6.794  1.00  0.00           H   new
ATOM      0  HG3 GLU A  52       8.971  -7.201  -8.281  1.00  0.00           H   new
ATOM    806  N   LYS A  53       8.681  -7.048  -3.844  1.00  0.00           N
ATOM    807  CA  LYS A  53       9.064  -7.979  -2.748  1.00  0.00           C
ATOM    808  C   LYS A  53       7.873  -8.717  -2.101  1.00  0.00           C
ATOM    809  O   LYS A  53       8.057  -9.795  -1.570  1.00  0.00           O
ATOM    810  CB  LYS A  53       9.858  -7.125  -1.715  1.00  0.00           C
ATOM    811  CG  LYS A  53      10.531  -8.029  -0.636  1.00  0.00           C
ATOM    812  CD  LYS A  53      11.306  -9.206  -1.316  1.00  0.00           C
ATOM    813  CE  LYS A  53      12.279  -8.698  -2.384  1.00  0.00           C
ATOM    814  NZ  LYS A  53      12.701  -9.894  -3.181  1.00  0.00           N
ATOM      0  H   LYS A  53       9.070  -6.110  -3.747  1.00  0.00           H   new
ATOM      0  HA  LYS A  53       9.670  -8.790  -3.151  1.00  0.00           H   new
ATOM      0  HB2 LYS A  53      10.620  -6.541  -2.231  1.00  0.00           H   new
ATOM      0  HB3 LYS A  53       9.186  -6.416  -1.232  1.00  0.00           H   new
ATOM      0  HG2 LYS A  53      11.216  -7.435  -0.031  1.00  0.00           H   new
ATOM      0  HG3 LYS A  53       9.773  -8.426   0.039  1.00  0.00           H   new
ATOM      0  HD2 LYS A  53      11.855  -9.766  -0.559  1.00  0.00           H   new
ATOM      0  HD3 LYS A  53      10.595  -9.896  -1.770  1.00  0.00           H   new
ATOM      0  HE2 LYS A  53      11.800  -7.956  -3.023  1.00  0.00           H   new
ATOM      0  HE3 LYS A  53      13.141  -8.215  -1.924  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  53      13.366  -9.599  -3.924  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  53      13.164 -10.583  -2.555  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  53      11.865 -10.332  -3.619  1.00  0.00           H   new
ATOM    828  N   VAL A  54       6.724  -8.109  -2.174  1.00  0.00           N
ATOM    829  CA  VAL A  54       5.474  -8.685  -1.602  1.00  0.00           C
ATOM    830  C   VAL A  54       4.671  -9.496  -2.659  1.00  0.00           C
ATOM    831  O   VAL A  54       4.317 -10.632  -2.409  1.00  0.00           O
ATOM    832  CB  VAL A  54       4.697  -7.462  -1.036  1.00  0.00           C
ATOM    833  CG1 VAL A  54       3.317  -7.891  -0.523  1.00  0.00           C
ATOM    834  CG2 VAL A  54       5.465  -6.880   0.164  1.00  0.00           C
ATOM      0  H   VAL A  54       6.595  -7.203  -2.623  1.00  0.00           H   new
ATOM      0  HA  VAL A  54       5.673  -9.415  -0.818  1.00  0.00           H   new
ATOM      0  HB  VAL A  54       4.592  -6.729  -1.836  1.00  0.00           H   new
ATOM      0 HG11 VAL A  54       2.788  -7.022  -0.131  1.00  0.00           H   new
ATOM      0 HG12 VAL A  54       2.744  -8.326  -1.342  1.00  0.00           H   new
ATOM      0 HG13 VAL A  54       3.437  -8.630   0.269  1.00  0.00           H   new
ATOM      0 HG21 VAL A  54       4.922  -6.023   0.562  1.00  0.00           H   new
ATOM      0 HG22 VAL A  54       5.560  -7.641   0.939  1.00  0.00           H   new
ATOM      0 HG23 VAL A  54       6.457  -6.564  -0.158  1.00  0.00           H   new
ATOM    844  N   CYS A  55       4.407  -8.919  -3.803  1.00  0.00           N
ATOM    845  CA  CYS A  55       3.624  -9.661  -4.874  1.00  0.00           C
ATOM    846  C   CYS A  55       4.209  -9.832  -6.313  1.00  0.00           C
ATOM    847  O   CYS A  55       3.536 -10.336  -7.184  1.00  0.00           O
ATOM    848  CB  CYS A  55       2.256  -8.968  -4.921  1.00  0.00           C
ATOM    849  SG  CYS A  55       1.198  -9.280  -3.489  1.00  0.00           S
ATOM      0  H   CYS A  55       4.692  -7.972  -4.054  1.00  0.00           H   new
ATOM      0  HA  CYS A  55       3.627 -10.706  -4.563  1.00  0.00           H   new
ATOM      0  HB2 CYS A  55       2.412  -7.893  -5.012  1.00  0.00           H   new
ATOM      0  HB3 CYS A  55       1.731  -9.291  -5.820  1.00  0.00           H   new
ATOM    854  N   ALA A  56       5.431  -9.417  -6.494  1.00  0.00           N
ATOM    855  CA  ALA A  56       6.234  -9.475  -7.800  1.00  0.00           C
ATOM    856  C   ALA A  56       5.672  -9.956  -9.207  1.00  0.00           C
ATOM    857  O   ALA A  56       4.530 -10.305  -9.381  1.00  0.00           O
ATOM    858  CB  ALA A  56       7.413 -10.298  -7.395  1.00  0.00           C
ATOM      0  H   ALA A  56       5.968  -9.001  -5.733  1.00  0.00           H   new
ATOM      0  HA  ALA A  56       6.346  -8.434  -8.103  1.00  0.00           H   new
ATOM      0  HB1 ALA A  56       8.081 -10.421  -8.247  1.00  0.00           H   new
ATOM      0  HB2 ALA A  56       7.945  -9.798  -6.586  1.00  0.00           H   new
ATOM      0  HB3 ALA A  56       7.074 -11.277  -7.056  1.00  0.00           H   new
ATOM    864  N   PRO A  57       6.503  -9.957 -10.228  1.00  0.00           N
ATOM    865  CA  PRO A  57       6.286 -10.849 -11.426  1.00  0.00           C
ATOM    866  C   PRO A  57       6.027 -12.383 -11.211  1.00  0.00           C
ATOM    867  O   PRO A  57       6.704 -13.211 -11.791  1.00  0.00           O
ATOM    868  CB  PRO A  57       7.544 -10.523 -12.291  1.00  0.00           C
ATOM    869  CG  PRO A  57       8.579 -10.038 -11.237  1.00  0.00           C
ATOM    870  CD  PRO A  57       7.730  -9.117 -10.371  1.00  0.00           C
ATOM      0  HA  PRO A  57       5.323 -10.632 -11.888  1.00  0.00           H   new
ATOM      0  HB2 PRO A  57       7.900 -11.400 -12.832  1.00  0.00           H   new
ATOM      0  HB3 PRO A  57       7.334  -9.754 -13.034  1.00  0.00           H   new
ATOM      0  HG2 PRO A  57       8.999 -10.865 -10.665  1.00  0.00           H   new
ATOM      0  HG3 PRO A  57       9.415  -9.511 -11.697  1.00  0.00           H   new
ATOM      0  HD2 PRO A  57       8.199  -8.897  -9.412  1.00  0.00           H   new
ATOM      0  HD3 PRO A  57       7.527  -8.161 -10.853  1.00  0.00           H   new
ATOM    878  N   VAL A  58       5.057 -12.707 -10.402  1.00  0.00           N
ATOM    879  CA  VAL A  58       4.678 -14.129 -10.087  1.00  0.00           C
ATOM    880  C   VAL A  58       3.147 -14.289 -10.293  1.00  0.00           C
ATOM    881  O   VAL A  58       2.752 -15.031 -11.177  1.00  0.00           O
ATOM    882  CB  VAL A  58       5.083 -14.427  -8.615  1.00  0.00           C
ATOM    883  CG1 VAL A  58       4.826 -15.911  -8.311  1.00  0.00           C
ATOM    884  CG2 VAL A  58       6.584 -14.167  -8.402  1.00  0.00           C
ATOM    885  OXT VAL A  58       2.381 -13.654  -9.582  1.00  0.00           O
ATOM      0  H   VAL A  58       4.481 -12.016  -9.921  1.00  0.00           H   new
ATOM      0  HA  VAL A  58       5.191 -14.833 -10.742  1.00  0.00           H   new
ATOM      0  HB  VAL A  58       4.497 -13.780  -7.963  1.00  0.00           H   new
ATOM      0 HG11 VAL A  58       5.108 -16.125  -7.280  1.00  0.00           H   new
ATOM      0 HG12 VAL A  58       3.768 -16.133  -8.451  1.00  0.00           H   new
ATOM      0 HG13 VAL A  58       5.419 -16.529  -8.986  1.00  0.00           H   new
ATOM      0 HG21 VAL A  58       6.847 -14.381  -7.366  1.00  0.00           H   new
ATOM      0 HG22 VAL A  58       7.162 -14.811  -9.064  1.00  0.00           H   new
ATOM      0 HG23 VAL A  58       6.808 -13.124  -8.625  1.00  0.00           H   new