USER  MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18
USER  MOD reduce.3.24.130724 removed 590 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  12 GLN     :FLIP  amide:sc=  -0.798  F(o=-10!,f=-4.4)
USER  MOD Set 1.2: A  75 HIS     :     no HE2:sc=   -3.57  K(o=-4.4,f=-6.9!)
USER  MOD Set 2.1: A  16 TYR OH  :   rot  119:sc=       0
USER  MOD Set 2.2: A  71 CYS SG  :   rot   27:sc=   0.283
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  15 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  18 ASN     :      amide:sc=  0.0464  K(o=0.046,f=-0.46)
USER  MOD Single : A  19 GLN     :FLIP  amide:sc=   -3.33! C(o=-5.3!,f=-3.3!)
USER  MOD Single : A  21 LYS NZ  :NH3+    156:sc=    -2.1   (180deg=-4.07!)
USER  MOD Single : A  22 THR OG1 :   rot   78:sc=  0.0326
USER  MOD Single : A  24 GLN     :      amide:sc=   -8.83! C(o=-8.8!,f=-9.8!)
USER  MOD Single : A  28 ASN     :      amide:sc=   -1.17  X(o=-1.2,f=-0.73)
USER  MOD Single : A  34 SER OG  :   rot  180:sc=  0.0849
USER  MOD Single : A  37 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  41 THR OG1 :   rot  -25:sc=    0.56
USER  MOD Single : A  42 LYS NZ  :NH3+   -148:sc=   -6.04!  (180deg=-8.24!)
USER  MOD Single : A  43 SER OG  :   rot   72:sc=   0.784
USER  MOD Single : A  44 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  51 SER OG  :   rot   59:sc=   0.776
USER  MOD Single : A  52 HIS     :     no HD1:sc=       0  X(o=0,f=-0.031)
USER  MOD Single : A  57 SER OG  :   rot  140:sc=       0
USER  MOD Single : A  61 LYS NZ  :NH3+    178:sc=   -1.69   (180deg=-1.84)
USER  MOD Single : A  66 THR OG1 :   rot  180:sc= -0.0514
USER  MOD Single : A  81 LYS NZ  :NH3+   -164:sc= -0.0635   (180deg=-0.396)
USER  MOD -----------------------------------------------------------------
ATOM     49  N   ILE A   8       5.690  -1.815 -18.513  1.00  0.00           N
ATOM     50  CA  ILE A   8       6.078  -0.592 -17.815  1.00  0.00           C
ATOM     51  C   ILE A   8       7.042   0.258 -18.643  1.00  0.00           C
ATOM     52  O   ILE A   8       7.970  -0.261 -19.261  1.00  0.00           O
ATOM     53  CB  ILE A   8       6.745  -0.930 -16.467  1.00  0.00           C
ATOM     54  CG1 ILE A   8       5.819  -1.802 -15.619  1.00  0.00           C
ATOM     55  CG2 ILE A   8       7.103   0.342 -15.718  1.00  0.00           C
ATOM     56  CD1 ILE A   8       6.448  -2.276 -14.327  1.00  0.00           C
ATOM      0  HA  ILE A   8       5.166  -0.019 -17.649  1.00  0.00           H   new
ATOM      0  HB  ILE A   8       7.662  -1.485 -16.665  1.00  0.00           H   new
ATOM      0 HG12 ILE A   8       4.915  -1.239 -15.388  1.00  0.00           H   new
ATOM      0 HG13 ILE A   8       5.514  -2.669 -16.204  1.00  0.00           H   new
ATOM      0 HG21 ILE A   8       7.573   0.085 -14.769  1.00  0.00           H   new
ATOM      0 HG22 ILE A   8       7.795   0.934 -16.317  1.00  0.00           H   new
ATOM      0 HG23 ILE A   8       6.198   0.921 -15.530  1.00  0.00           H   new
ATOM      0 HD11 ILE A   8       5.733  -2.889 -13.778  1.00  0.00           H   new
ATOM      0 HD12 ILE A   8       7.336  -2.867 -14.550  1.00  0.00           H   new
ATOM      0 HD13 ILE A   8       6.728  -1.414 -13.721  1.00  0.00           H   new
ATOM     68  N   THR A   9       6.823   1.570 -18.647  1.00  0.00           N
ATOM     69  CA  THR A   9       7.687   2.480 -19.393  1.00  0.00           C
ATOM     70  C   THR A   9       8.868   2.918 -18.534  1.00  0.00           C
ATOM     71  O   THR A   9       8.701   3.280 -17.367  1.00  0.00           O
ATOM     72  CB  THR A   9       6.929   3.731 -19.872  1.00  0.00           C
ATOM     73  OG1 THR A   9       5.713   3.354 -20.535  1.00  0.00           O
ATOM     74  CG2 THR A   9       7.793   4.547 -20.823  1.00  0.00           C
ATOM      0  H   THR A   9       6.060   2.025 -18.146  1.00  0.00           H   new
ATOM      0  HA  THR A   9       8.042   1.934 -20.267  1.00  0.00           H   new
ATOM      0  HB  THR A   9       6.689   4.338 -18.999  1.00  0.00           H   new
ATOM      0  HG1 THR A   9       5.240   4.159 -20.833  1.00  0.00           H   new
ATOM      0 HG21 THR A   9       7.241   5.428 -21.151  1.00  0.00           H   new
ATOM      0 HG22 THR A   9       8.703   4.859 -20.311  1.00  0.00           H   new
ATOM      0 HG23 THR A   9       8.055   3.939 -21.689  1.00  0.00           H   new
ATOM     82  N   ASP A  10      10.060   2.877 -19.105  1.00  0.00           N
ATOM     83  CA  ASP A  10      11.260   3.256 -18.371  1.00  0.00           C
ATOM     84  C   ASP A  10      11.046   4.566 -17.593  1.00  0.00           C
ATOM     85  O   ASP A  10      11.579   4.739 -16.496  1.00  0.00           O
ATOM     86  CB  ASP A  10      12.446   3.374 -19.331  1.00  0.00           C
ATOM     87  CG  ASP A  10      13.729   2.822 -18.736  1.00  0.00           C
ATOM     88  OD1 ASP A  10      13.656   2.157 -17.673  1.00  0.00           O
ATOM     89  OD2 ASP A  10      14.801   3.035 -19.341  1.00  0.00           O
ATOM      0  H   ASP A  10      10.225   2.587 -20.069  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      11.479   2.476 -17.641  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10      12.218   2.841 -20.254  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10      12.593   4.421 -19.596  1.00  0.00           H   new
ATOM     94  N   GLU A  11      10.247   5.484 -18.145  1.00  0.00           N
ATOM     95  CA  GLU A  11       9.971   6.749 -17.474  1.00  0.00           C
ATOM     96  C   GLU A  11       9.269   6.530 -16.135  1.00  0.00           C
ATOM     97  O   GLU A  11       9.722   7.009 -15.093  1.00  0.00           O
ATOM     98  CB  GLU A  11       9.106   7.644 -18.358  1.00  0.00           C
ATOM     99  CG  GLU A  11       9.895   8.557 -19.282  1.00  0.00           C
ATOM    100  CD  GLU A  11       9.137   9.827 -19.631  1.00  0.00           C
ATOM    101  OE1 GLU A  11       7.975   9.724 -20.082  1.00  0.00           O
ATOM    102  OE2 GLU A  11       9.708  10.926 -19.455  1.00  0.00           O
ATOM      0  H   GLU A  11       9.785   5.373 -19.048  1.00  0.00           H   new
ATOM      0  HA  GLU A  11      10.929   7.235 -17.288  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       8.450   7.016 -18.960  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11       8.466   8.255 -17.721  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      10.840   8.821 -18.807  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      10.138   8.019 -20.198  1.00  0.00           H   new
ATOM    109  N   GLN A  12       8.163   5.796 -16.155  1.00  0.00           N
ATOM    110  CA  GLN A  12       7.429   5.525 -14.938  1.00  0.00           C
ATOM    111  C   GLN A  12       8.291   4.752 -13.955  1.00  0.00           C
ATOM    112  O   GLN A  12       8.209   4.960 -12.743  1.00  0.00           O
ATOM    113  CB  GLN A  12       6.123   4.799 -15.253  1.00  0.00           C
ATOM    114  CG  GLN A  12       4.965   5.770 -15.392  1.00  0.00           C
ATOM    115  CD  GLN A  12       3.627   5.103 -15.627  1.00  0.00           C
ATOM    116  OE1 GLN A  12       3.635   3.807 -15.874  1.00  0.00           O   flip
ATOM    117  NE2 GLN A  12       2.590   5.756 -15.594  1.00  0.00           N   flip
ATOM      0  H   GLN A  12       7.762   5.383 -16.997  1.00  0.00           H   new
ATOM      0  HA  GLN A  12       7.168   6.471 -14.463  1.00  0.00           H   new
ATOM      0  HB2 GLN A  12       6.235   4.231 -16.176  1.00  0.00           H   new
ATOM      0  HB3 GLN A  12       5.905   4.082 -14.462  1.00  0.00           H   new
ATOM      0  HG2 GLN A  12       4.903   6.377 -14.489  1.00  0.00           H   new
ATOM      0  HG3 GLN A  12       5.171   6.449 -16.219  1.00  0.00           H   new
ATOM      0 HE21 GLN A  12       2.623   6.757 -15.400  1.00  0.00           H   new
ATOM      0 HE22 GLN A  12       1.694   5.299 -15.761  1.00  0.00           H   new
ATOM    126  N   ARG A  13       9.148   3.886 -14.479  1.00  0.00           N
ATOM    127  CA  ARG A  13      10.036   3.130 -13.620  1.00  0.00           C
ATOM    128  C   ARG A  13      10.849   4.093 -12.758  1.00  0.00           C
ATOM    129  O   ARG A  13      10.815   4.024 -11.532  1.00  0.00           O
ATOM    130  CB  ARG A  13      10.958   2.243 -14.444  1.00  0.00           C
ATOM    131  CG  ARG A  13      11.702   1.242 -13.598  1.00  0.00           C
ATOM    132  CD  ARG A  13      12.385   0.199 -14.448  1.00  0.00           C
ATOM    133  NE  ARG A  13      13.437  -0.465 -13.693  1.00  0.00           N
ATOM    134  CZ  ARG A  13      14.311  -1.293 -14.202  1.00  0.00           C
ATOM    135  NH1 ARG A  13      14.335  -1.524 -15.489  1.00  0.00           N
ATOM    136  NH2 ARG A  13      15.187  -1.856 -13.413  1.00  0.00           N
ATOM      0  H   ARG A  13       9.244   3.695 -15.476  1.00  0.00           H   new
ATOM      0  HA  ARG A  13       9.441   2.484 -12.974  1.00  0.00           H   new
ATOM      0  HB2 ARG A  13      10.372   1.714 -15.196  1.00  0.00           H   new
ATOM      0  HB3 ARG A  13      11.675   2.866 -14.979  1.00  0.00           H   new
ATOM      0  HG2 ARG A  13      12.443   1.759 -12.989  1.00  0.00           H   new
ATOM      0  HG3 ARG A  13      11.008   0.756 -12.912  1.00  0.00           H   new
ATOM      0  HD2 ARG A  13      11.655  -0.535 -14.789  1.00  0.00           H   new
ATOM      0  HD3 ARG A  13      12.807   0.666 -15.338  1.00  0.00           H   new
ATOM      0  HE  ARG A  13      13.497  -0.270 -12.694  1.00  0.00           H   new
ATOM      0 HH11 ARG A  13      13.668  -1.057 -16.104  1.00  0.00           H   new
ATOM      0 HH12 ARG A  13      15.020  -2.172 -15.878  1.00  0.00           H   new
ATOM      0 HH21 ARG A  13      15.183  -1.647 -12.415  1.00  0.00           H   new
ATOM      0 HH22 ARG A  13      15.875  -2.504 -13.795  1.00  0.00           H   new
ATOM    150  N   GLN A  14      11.551   5.028 -13.396  1.00  0.00           N
ATOM    151  CA  GLN A  14      12.322   6.018 -12.650  1.00  0.00           C
ATOM    152  C   GLN A  14      11.374   6.961 -11.914  1.00  0.00           C
ATOM    153  O   GLN A  14      11.687   7.486 -10.842  1.00  0.00           O
ATOM    154  CB  GLN A  14      13.237   6.824 -13.578  1.00  0.00           C
ATOM    155  CG  GLN A  14      12.506   7.696 -14.593  1.00  0.00           C
ATOM    156  CD  GLN A  14      13.451   8.623 -15.339  1.00  0.00           C
ATOM    157  OE1 GLN A  14      14.017   9.546 -14.762  1.00  0.00           O
ATOM    158  NE2 GLN A  14      13.635   8.388 -16.628  1.00  0.00           N
ATOM      0  H   GLN A  14      11.602   5.120 -14.411  1.00  0.00           H   new
ATOM      0  HA  GLN A  14      12.948   5.490 -11.931  1.00  0.00           H   new
ATOM      0  HB2 GLN A  14      13.880   7.460 -12.969  1.00  0.00           H   new
ATOM      0  HB3 GLN A  14      13.887   6.133 -14.114  1.00  0.00           H   new
ATOM      0  HG2 GLN A  14      11.985   7.059 -15.308  1.00  0.00           H   new
ATOM      0  HG3 GLN A  14      11.747   8.288 -14.081  1.00  0.00           H   new
ATOM      0 HE21 GLN A  14      13.150   7.613 -17.079  1.00  0.00           H   new
ATOM      0 HE22 GLN A  14      14.262   8.982 -17.170  1.00  0.00           H   new
ATOM    167  N   TYR A  15      10.214   7.186 -12.513  1.00  0.00           N
ATOM    168  CA  TYR A  15       9.214   8.076 -11.941  1.00  0.00           C
ATOM    169  C   TYR A  15       8.810   7.644 -10.528  1.00  0.00           C
ATOM    170  O   TYR A  15       8.921   8.424  -9.586  1.00  0.00           O
ATOM    171  CB  TYR A  15       7.984   8.096 -12.849  1.00  0.00           C
ATOM    172  CG  TYR A  15       7.002   9.197 -12.539  1.00  0.00           C
ATOM    173  CD1 TYR A  15       7.421  10.517 -12.423  1.00  0.00           C
ATOM    174  CD2 TYR A  15       5.652   8.920 -12.387  1.00  0.00           C
ATOM    175  CE1 TYR A  15       6.518  11.528 -12.163  1.00  0.00           C
ATOM    176  CE2 TYR A  15       4.742   9.926 -12.133  1.00  0.00           C
ATOM    177  CZ  TYR A  15       5.180  11.228 -12.019  1.00  0.00           C
ATOM    178  OH  TYR A  15       4.278  12.236 -11.772  1.00  0.00           O
ATOM      0  H   TYR A  15       9.941   6.762 -13.400  1.00  0.00           H   new
ATOM      0  HA  TYR A  15       9.646   9.074 -11.868  1.00  0.00           H   new
ATOM      0  HB2 TYR A  15       8.312   8.198 -13.883  1.00  0.00           H   new
ATOM      0  HB3 TYR A  15       7.473   7.136 -12.770  1.00  0.00           H   new
ATOM      0  HD1 TYR A  15       8.468  10.755 -12.538  1.00  0.00           H   new
ATOM      0  HD2 TYR A  15       5.307   7.900 -12.469  1.00  0.00           H   new
ATOM      0  HE1 TYR A  15       6.858  12.549 -12.073  1.00  0.00           H   new
ATOM      0  HE2 TYR A  15       3.693   9.694 -12.024  1.00  0.00           H   new
ATOM      0  HH  TYR A  15       3.377  11.858 -11.698  1.00  0.00           H   new
ATOM    188  N   TYR A  16       8.354   6.405 -10.373  1.00  0.00           N
ATOM    189  CA  TYR A  16       7.947   5.918  -9.056  1.00  0.00           C
ATOM    190  C   TYR A  16       9.141   5.861  -8.105  1.00  0.00           C
ATOM    191  O   TYR A  16       9.025   6.180  -6.920  1.00  0.00           O
ATOM    192  CB  TYR A  16       7.274   4.542  -9.168  1.00  0.00           C
ATOM    193  CG  TYR A  16       8.230   3.370  -9.247  1.00  0.00           C
ATOM    194  CD1 TYR A  16       8.988   2.992  -8.144  1.00  0.00           C
ATOM    195  CD2 TYR A  16       8.361   2.629 -10.416  1.00  0.00           C
ATOM    196  CE1 TYR A  16       9.846   1.912  -8.204  1.00  0.00           C
ATOM    197  CE2 TYR A  16       9.222   1.548 -10.484  1.00  0.00           C
ATOM    198  CZ  TYR A  16       9.960   1.194  -9.374  1.00  0.00           C
ATOM    199  OH  TYR A  16      10.809   0.112  -9.433  1.00  0.00           O
ATOM      0  H   TYR A  16       8.257   5.727 -11.129  1.00  0.00           H   new
ATOM      0  HA  TYR A  16       7.220   6.619  -8.646  1.00  0.00           H   new
ATOM      0  HB2 TYR A  16       6.621   4.402  -8.307  1.00  0.00           H   new
ATOM      0  HB3 TYR A  16       6.639   4.535 -10.054  1.00  0.00           H   new
ATOM      0  HD1 TYR A  16       8.904   3.553  -7.225  1.00  0.00           H   new
ATOM      0  HD2 TYR A  16       7.781   2.902 -11.285  1.00  0.00           H   new
ATOM      0  HE1 TYR A  16      10.426   1.631  -7.337  1.00  0.00           H   new
ATOM      0  HE2 TYR A  16       9.316   0.985 -11.401  1.00  0.00           H   new
ATOM      0  HH  TYR A  16      10.295  -0.696  -9.639  1.00  0.00           H   new
ATOM    209  N   VAL A  17      10.289   5.461  -8.633  1.00  0.00           N
ATOM    210  CA  VAL A  17      11.510   5.366  -7.840  1.00  0.00           C
ATOM    211  C   VAL A  17      11.926   6.730  -7.289  1.00  0.00           C
ATOM    212  O   VAL A  17      12.402   6.841  -6.158  1.00  0.00           O
ATOM    213  CB  VAL A  17      12.666   4.791  -8.677  1.00  0.00           C
ATOM    214  CG1 VAL A  17      13.919   4.636  -7.833  1.00  0.00           C
ATOM    215  CG2 VAL A  17      12.264   3.464  -9.290  1.00  0.00           C
ATOM      0  H   VAL A  17      10.402   5.196  -9.611  1.00  0.00           H   new
ATOM      0  HA  VAL A  17      11.296   4.697  -7.006  1.00  0.00           H   new
ATOM      0  HB  VAL A  17      12.888   5.491  -9.483  1.00  0.00           H   new
ATOM      0 HG11 VAL A  17      14.723   4.228  -8.446  1.00  0.00           H   new
ATOM      0 HG12 VAL A  17      14.218   5.609  -7.444  1.00  0.00           H   new
ATOM      0 HG13 VAL A  17      13.717   3.959  -7.003  1.00  0.00           H   new
ATOM      0 HG21 VAL A  17      13.092   3.070  -9.879  1.00  0.00           H   new
ATOM      0 HG22 VAL A  17      12.014   2.758  -8.498  1.00  0.00           H   new
ATOM      0 HG23 VAL A  17      11.397   3.609  -9.934  1.00  0.00           H   new
ATOM    225  N   ASN A  18      11.753   7.763  -8.095  1.00  0.00           N
ATOM    226  CA  ASN A  18      12.119   9.113  -7.700  1.00  0.00           C
ATOM    227  C   ASN A  18      11.618   9.470  -6.294  1.00  0.00           C
ATOM    228  O   ASN A  18      12.395   9.928  -5.461  1.00  0.00           O
ATOM    229  CB  ASN A  18      11.585  10.096  -8.734  1.00  0.00           C
ATOM    230  CG  ASN A  18      12.628  10.471  -9.768  1.00  0.00           C
ATOM    231  OD1 ASN A  18      13.558  11.220  -9.482  1.00  0.00           O
ATOM    232  ND2 ASN A  18      12.499   9.934 -10.967  1.00  0.00           N
ATOM      0  H   ASN A  18      11.359   7.692  -9.033  1.00  0.00           H   new
ATOM      0  HA  ASN A  18      13.207   9.173  -7.660  1.00  0.00           H   new
ATOM      0  HB2 ASN A  18      10.722   9.659  -9.235  1.00  0.00           H   new
ATOM      0  HB3 ASN A  18      11.238  10.997  -8.229  1.00  0.00           H   new
ATOM      0 HD21 ASN A  18      13.186  10.137 -11.693  1.00  0.00           H   new
ATOM      0 HD22 ASN A  18      11.713   9.316 -11.167  1.00  0.00           H   new
ATOM    239  N   GLN A  19      10.327   9.277  -6.029  1.00  0.00           N
ATOM    240  CA  GLN A  19       9.773   9.607  -4.711  1.00  0.00           C
ATOM    241  C   GLN A  19       9.837   8.437  -3.723  1.00  0.00           C
ATOM    242  O   GLN A  19      10.390   8.563  -2.627  1.00  0.00           O
ATOM    243  CB  GLN A  19       8.315  10.048  -4.842  1.00  0.00           C
ATOM    244  CG  GLN A  19       8.122  11.273  -5.712  1.00  0.00           C
ATOM    245  CD  GLN A  19       8.304  10.972  -7.184  1.00  0.00           C
ATOM    246  OE1 GLN A  19       9.295  11.589  -7.799  1.00  0.00           O   flip
ATOM    247  NE2 GLN A  19       7.564  10.184  -7.763  1.00  0.00           N   flip
ATOM      0  H   GLN A  19       9.652   8.900  -6.695  1.00  0.00           H   new
ATOM      0  HA  GLN A  19      10.390  10.415  -4.319  1.00  0.00           H   new
ATOM      0  HB2 GLN A  19       7.732   9.225  -5.255  1.00  0.00           H   new
ATOM      0  HB3 GLN A  19       7.917  10.253  -3.848  1.00  0.00           H   new
ATOM      0  HG2 GLN A  19       7.123  11.678  -5.548  1.00  0.00           H   new
ATOM      0  HG3 GLN A  19       8.832  12.044  -5.411  1.00  0.00           H   new
ATOM      0 HE21 GLN A  19       6.808   9.726  -7.254  1.00  0.00           H   new
ATOM      0 HE22 GLN A  19       7.704   9.987  -8.754  1.00  0.00           H   new
ATOM    256  N   PHE A  20       9.258   7.305  -4.103  1.00  0.00           N
ATOM    257  CA  PHE A  20       9.234   6.142  -3.225  1.00  0.00           C
ATOM    258  C   PHE A  20      10.622   5.736  -2.749  1.00  0.00           C
ATOM    259  O   PHE A  20      10.760   5.112  -1.697  1.00  0.00           O
ATOM    260  CB  PHE A  20       8.520   4.967  -3.871  1.00  0.00           C
ATOM    261  CG  PHE A  20       7.158   4.758  -3.278  1.00  0.00           C
ATOM    262  CD1 PHE A  20       6.187   5.739  -3.387  1.00  0.00           C
ATOM    263  CD2 PHE A  20       6.858   3.595  -2.589  1.00  0.00           C
ATOM    264  CE1 PHE A  20       4.939   5.563  -2.821  1.00  0.00           C
ATOM    265  CE2 PHE A  20       5.611   3.412  -2.024  1.00  0.00           C
ATOM    266  CZ  PHE A  20       4.651   4.398  -2.140  1.00  0.00           C
ATOM      0  H   PHE A  20       8.802   7.168  -5.005  1.00  0.00           H   new
ATOM      0  HA  PHE A  20       8.669   6.441  -2.342  1.00  0.00           H   new
ATOM      0  HB2 PHE A  20       8.428   5.140  -4.943  1.00  0.00           H   new
ATOM      0  HB3 PHE A  20       9.116   4.063  -3.744  1.00  0.00           H   new
ATOM      0  HD1 PHE A  20       6.408   6.652  -3.920  1.00  0.00           H   new
ATOM      0  HD2 PHE A  20       7.607   2.823  -2.492  1.00  0.00           H   new
ATOM      0  HE1 PHE A  20       4.190   6.336  -2.911  1.00  0.00           H   new
ATOM      0  HE2 PHE A  20       5.387   2.499  -1.492  1.00  0.00           H   new
ATOM      0  HZ  PHE A  20       3.676   4.257  -1.698  1.00  0.00           H   new
ATOM    276  N   LYS A  21      11.655   6.091  -3.503  1.00  0.00           N
ATOM    277  CA  LYS A  21      13.012   5.747  -3.101  1.00  0.00           C
ATOM    278  C   LYS A  21      13.248   6.098  -1.635  1.00  0.00           C
ATOM    279  O   LYS A  21      13.966   5.395  -0.932  1.00  0.00           O
ATOM    280  CB  LYS A  21      14.049   6.456  -3.970  1.00  0.00           C
ATOM    281  CG  LYS A  21      14.713   5.541  -4.983  1.00  0.00           C
ATOM    282  CD  LYS A  21      16.140   5.974  -5.280  1.00  0.00           C
ATOM    283  CE  LYS A  21      16.186   7.208  -6.166  1.00  0.00           C
ATOM    284  NZ  LYS A  21      15.455   8.356  -5.564  1.00  0.00           N
ATOM      0  H   LYS A  21      11.582   6.607  -4.380  1.00  0.00           H   new
ATOM      0  HA  LYS A  21      13.125   4.671  -3.235  1.00  0.00           H   new
ATOM      0  HB2 LYS A  21      13.568   7.281  -4.496  1.00  0.00           H   new
ATOM      0  HB3 LYS A  21      14.815   6.891  -3.327  1.00  0.00           H   new
ATOM      0  HG2 LYS A  21      14.714   4.519  -4.605  1.00  0.00           H   new
ATOM      0  HG3 LYS A  21      14.134   5.539  -5.906  1.00  0.00           H   new
ATOM      0  HD2 LYS A  21      16.659   6.180  -4.344  1.00  0.00           H   new
ATOM      0  HD3 LYS A  21      16.673   5.157  -5.767  1.00  0.00           H   new
ATOM      0  HE2 LYS A  21      17.224   7.491  -6.340  1.00  0.00           H   new
ATOM      0  HE3 LYS A  21      15.753   6.972  -7.138  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  21      15.827   9.246  -5.952  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  21      14.442   8.278  -5.786  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  21      15.585   8.347  -4.532  1.00  0.00           H   new
ATOM    298  N   THR A  22      12.634   7.181  -1.167  1.00  0.00           N
ATOM    299  CA  THR A  22      12.793   7.582   0.227  1.00  0.00           C
ATOM    300  C   THR A  22      12.580   6.382   1.146  1.00  0.00           C
ATOM    301  O   THR A  22      13.130   6.317   2.243  1.00  0.00           O
ATOM    302  CB  THR A  22      11.812   8.705   0.623  1.00  0.00           C
ATOM    303  OG1 THR A  22      12.033   9.864  -0.193  1.00  0.00           O
ATOM    304  CG2 THR A  22      11.976   9.078   2.088  1.00  0.00           C
ATOM      0  H   THR A  22      12.031   7.788  -1.722  1.00  0.00           H   new
ATOM      0  HA  THR A  22      13.808   7.964   0.338  1.00  0.00           H   new
ATOM      0  HB  THR A  22      10.798   8.337   0.467  1.00  0.00           H   new
ATOM      0  HG1 THR A  22      11.622   9.728  -1.072  1.00  0.00           H   new
ATOM      0 HG21 THR A  22      11.273   9.872   2.342  1.00  0.00           H   new
ATOM      0 HG22 THR A  22      11.778   8.205   2.710  1.00  0.00           H   new
ATOM      0 HG23 THR A  22      12.994   9.425   2.263  1.00  0.00           H   new
ATOM    312  N   ILE A  23      11.776   5.433   0.686  1.00  0.00           N
ATOM    313  CA  ILE A  23      11.490   4.233   1.462  1.00  0.00           C
ATOM    314  C   ILE A  23      11.946   2.964   0.735  1.00  0.00           C
ATOM    315  O   ILE A  23      12.860   2.273   1.184  1.00  0.00           O
ATOM    316  CB  ILE A  23       9.986   4.111   1.762  1.00  0.00           C
ATOM    317  CG1 ILE A  23       9.459   5.408   2.378  1.00  0.00           C
ATOM    318  CG2 ILE A  23       9.724   2.934   2.688  1.00  0.00           C
ATOM    319  CD1 ILE A  23       7.996   5.347   2.755  1.00  0.00           C
ATOM      0  H   ILE A  23      11.310   5.470  -0.221  1.00  0.00           H   new
ATOM      0  HA  ILE A  23      12.046   4.330   2.395  1.00  0.00           H   new
ATOM      0  HB  ILE A  23       9.458   3.935   0.825  1.00  0.00           H   new
ATOM      0 HG12 ILE A  23      10.045   5.643   3.266  1.00  0.00           H   new
ATOM      0 HG13 ILE A  23       9.610   6.224   1.671  1.00  0.00           H   new
ATOM      0 HG21 ILE A  23       8.655   2.861   2.891  1.00  0.00           H   new
ATOM      0 HG22 ILE A  23      10.067   2.014   2.214  1.00  0.00           H   new
ATOM      0 HG23 ILE A  23      10.262   3.081   3.625  1.00  0.00           H   new
ATOM      0 HD11 ILE A  23       7.691   6.301   3.185  1.00  0.00           H   new
ATOM      0 HD12 ILE A  23       7.399   5.143   1.866  1.00  0.00           H   new
ATOM      0 HD13 ILE A  23       7.841   4.553   3.486  1.00  0.00           H   new
ATOM    331  N   GLN A  24      11.296   2.659  -0.384  1.00  0.00           N
ATOM    332  CA  GLN A  24      11.624   1.472  -1.162  1.00  0.00           C
ATOM    333  C   GLN A  24      12.302   1.840  -2.481  1.00  0.00           C
ATOM    334  O   GLN A  24      11.676   1.843  -3.541  1.00  0.00           O
ATOM    335  CB  GLN A  24      10.353   0.676  -1.416  1.00  0.00           C
ATOM    336  CG  GLN A  24      10.455  -0.776  -0.982  1.00  0.00           C
ATOM    337  CD  GLN A  24      11.051  -0.925   0.410  1.00  0.00           C
ATOM    338  OE1 GLN A  24      12.256  -0.802   0.599  1.00  0.00           O
ATOM    339  NE2 GLN A  24      10.210  -1.168   1.401  1.00  0.00           N
ATOM      0  H   GLN A  24      10.537   3.220  -0.772  1.00  0.00           H   new
ATOM      0  HA  GLN A  24      12.329   0.864  -0.595  1.00  0.00           H   new
ATOM      0  HB2 GLN A  24       9.525   1.148  -0.887  1.00  0.00           H   new
ATOM      0  HB3 GLN A  24      10.115   0.714  -2.479  1.00  0.00           H   new
ATOM      0  HG2 GLN A  24       9.463  -1.228  -1.000  1.00  0.00           H   new
ATOM      0  HG3 GLN A  24      11.068  -1.324  -1.697  1.00  0.00           H   new
ATOM      0 HE21 GLN A  24       9.213  -1.265   1.211  1.00  0.00           H   new
ATOM      0 HE22 GLN A  24      10.559  -1.258   2.355  1.00  0.00           H   new
ATOM    348  N   PRO A  25      13.592   2.178  -2.420  1.00  0.00           N
ATOM    349  CA  PRO A  25      14.364   2.578  -3.600  1.00  0.00           C
ATOM    350  C   PRO A  25      14.669   1.442  -4.586  1.00  0.00           C
ATOM    351  O   PRO A  25      14.404   1.571  -5.777  1.00  0.00           O
ATOM    352  CB  PRO A  25      15.665   3.117  -3.001  1.00  0.00           C
ATOM    353  CG  PRO A  25      15.797   2.413  -1.695  1.00  0.00           C
ATOM    354  CD  PRO A  25      14.397   2.226  -1.185  1.00  0.00           C
ATOM      0  HA  PRO A  25      13.799   3.292  -4.199  1.00  0.00           H   new
ATOM      0  HB2 PRO A  25      16.516   2.911  -3.650  1.00  0.00           H   new
ATOM      0  HB3 PRO A  25      15.622   4.198  -2.866  1.00  0.00           H   new
ATOM      0  HG2 PRO A  25      16.299   1.454  -1.818  1.00  0.00           H   new
ATOM      0  HG3 PRO A  25      16.393   2.998  -0.994  1.00  0.00           H   new
ATOM      0  HD2 PRO A  25      14.299   1.309  -0.605  1.00  0.00           H   new
ATOM      0  HD3 PRO A  25      14.091   3.047  -0.537  1.00  0.00           H   new
ATOM    362  N   ASP A  26      15.268   0.353  -4.106  1.00  0.00           N
ATOM    363  CA  ASP A  26      15.640  -0.752  -4.996  1.00  0.00           C
ATOM    364  C   ASP A  26      15.796  -2.086  -4.247  1.00  0.00           C
ATOM    365  O   ASP A  26      15.466  -3.141  -4.775  1.00  0.00           O
ATOM    366  CB  ASP A  26      16.955  -0.384  -5.675  1.00  0.00           C
ATOM    367  CG  ASP A  26      17.278  -1.246  -6.882  1.00  0.00           C
ATOM    368  OD1 ASP A  26      17.413  -2.473  -6.721  1.00  0.00           O
ATOM    369  OD2 ASP A  26      17.416  -0.685  -7.992  1.00  0.00           O
ATOM      0  H   ASP A  26      15.504   0.210  -3.124  1.00  0.00           H   new
ATOM      0  HA  ASP A  26      14.842  -0.895  -5.725  1.00  0.00           H   new
ATOM      0  HB2 ASP A  26      16.914   0.660  -5.985  1.00  0.00           H   new
ATOM      0  HB3 ASP A  26      17.765  -0.470  -4.950  1.00  0.00           H   new
ATOM    374  N   LEU A  27      16.328  -2.020  -3.028  1.00  0.00           N
ATOM    375  CA  LEU A  27      16.565  -3.209  -2.193  1.00  0.00           C
ATOM    376  C   LEU A  27      15.370  -4.186  -2.155  1.00  0.00           C
ATOM    377  O   LEU A  27      14.633  -4.343  -3.119  1.00  0.00           O
ATOM    378  CB  LEU A  27      16.877  -2.754  -0.768  1.00  0.00           C
ATOM    379  CG  LEU A  27      15.705  -2.070  -0.057  1.00  0.00           C
ATOM    380  CD1 LEU A  27      15.580  -2.569   1.372  1.00  0.00           C
ATOM    381  CD2 LEU A  27      15.877  -0.560  -0.079  1.00  0.00           C
ATOM      0  H   LEU A  27      16.609  -1.144  -2.586  1.00  0.00           H   new
ATOM      0  HA  LEU A  27      17.400  -3.749  -2.639  1.00  0.00           H   new
ATOM      0  HB2 LEU A  27      17.188  -3.619  -0.182  1.00  0.00           H   new
ATOM      0  HB3 LEU A  27      17.722  -2.067  -0.795  1.00  0.00           H   new
ATOM      0  HG  LEU A  27      14.788  -2.322  -0.590  1.00  0.00           H   new
ATOM      0 HD11 LEU A  27      14.742  -2.071   1.859  1.00  0.00           H   new
ATOM      0 HD12 LEU A  27      15.410  -3.646   1.368  1.00  0.00           H   new
ATOM      0 HD13 LEU A  27      16.499  -2.349   1.916  1.00  0.00           H   new
ATOM      0 HD21 LEU A  27      15.035  -0.090   0.430  1.00  0.00           H   new
ATOM      0 HD22 LEU A  27      16.804  -0.292   0.428  1.00  0.00           H   new
ATOM      0 HD23 LEU A  27      15.915  -0.213  -1.112  1.00  0.00           H   new
ATOM    393  N   ASN A  28      15.193  -4.850  -1.013  1.00  0.00           N
ATOM    394  CA  ASN A  28      14.104  -5.810  -0.837  1.00  0.00           C
ATOM    395  C   ASN A  28      13.304  -5.463   0.414  1.00  0.00           C
ATOM    396  O   ASN A  28      13.109  -6.286   1.303  1.00  0.00           O
ATOM    397  CB  ASN A  28      14.665  -7.223  -0.725  1.00  0.00           C
ATOM    398  CG  ASN A  28      13.594  -8.288  -0.816  1.00  0.00           C
ATOM    399  OD1 ASN A  28      12.749  -8.424   0.062  1.00  0.00           O
ATOM    400  ND2 ASN A  28      13.621  -9.040  -1.895  1.00  0.00           N
ATOM      0  H   ASN A  28      15.791  -4.740  -0.194  1.00  0.00           H   new
ATOM      0  HA  ASN A  28      13.445  -5.762  -1.704  1.00  0.00           H   new
ATOM      0  HB2 ASN A  28      15.397  -7.382  -1.517  1.00  0.00           H   new
ATOM      0  HB3 ASN A  28      15.193  -7.325   0.223  1.00  0.00           H   new
ATOM      0 HD21 ASN A  28      12.921  -9.770  -2.025  1.00  0.00           H   new
ATOM      0 HD22 ASN A  28      14.342  -8.893  -2.601  1.00  0.00           H   new
ATOM    407  N   GLY A  29      12.873  -4.217   0.479  1.00  0.00           N
ATOM    408  CA  GLY A  29      12.126  -3.745   1.628  1.00  0.00           C
ATOM    409  C   GLY A  29      10.624  -3.745   1.418  1.00  0.00           C
ATOM    410  O   GLY A  29      10.132  -3.552   0.305  1.00  0.00           O
ATOM      0  H   GLY A  29      13.027  -3.517  -0.247  1.00  0.00           H   new
ATOM      0  HA2 GLY A  29      12.364  -4.371   2.488  1.00  0.00           H   new
ATOM      0  HA3 GLY A  29      12.450  -2.733   1.871  1.00  0.00           H   new
ATOM    414  N   PHE A  30       9.896  -3.969   2.501  1.00  0.00           N
ATOM    415  CA  PHE A  30       8.440  -4.001   2.459  1.00  0.00           C
ATOM    416  C   PHE A  30       7.840  -2.810   3.207  1.00  0.00           C
ATOM    417  O   PHE A  30       8.154  -2.569   4.374  1.00  0.00           O
ATOM    418  CB  PHE A  30       7.922  -5.300   3.084  1.00  0.00           C
ATOM    419  CG  PHE A  30       8.503  -6.549   2.482  1.00  0.00           C
ATOM    420  CD1 PHE A  30       9.872  -6.762   2.471  1.00  0.00           C
ATOM    421  CD2 PHE A  30       7.675  -7.515   1.934  1.00  0.00           C
ATOM    422  CE1 PHE A  30      10.405  -7.914   1.925  1.00  0.00           C
ATOM    423  CE2 PHE A  30       8.201  -8.668   1.386  1.00  0.00           C
ATOM    424  CZ  PHE A  30       9.568  -8.869   1.382  1.00  0.00           C
ATOM      0  H   PHE A  30      10.292  -4.133   3.427  1.00  0.00           H   new
ATOM      0  HA  PHE A  30       8.137  -3.948   1.413  1.00  0.00           H   new
ATOM      0  HB2 PHE A  30       8.141  -5.289   4.152  1.00  0.00           H   new
ATOM      0  HB3 PHE A  30       6.837  -5.332   2.982  1.00  0.00           H   new
ATOM      0  HD1 PHE A  30      10.531  -6.018   2.894  1.00  0.00           H   new
ATOM      0  HD2 PHE A  30       6.606  -7.364   1.935  1.00  0.00           H   new
ATOM      0  HE1 PHE A  30      11.474  -8.067   1.923  1.00  0.00           H   new
ATOM      0  HE2 PHE A  30       7.544  -9.412   0.961  1.00  0.00           H   new
ATOM      0  HZ  PHE A  30       9.981  -9.771   0.955  1.00  0.00           H   new
ATOM    434  N   ILE A  31       6.964  -2.077   2.538  1.00  0.00           N
ATOM    435  CA  ILE A  31       6.309  -0.929   3.150  1.00  0.00           C
ATOM    436  C   ILE A  31       5.003  -1.332   3.828  1.00  0.00           C
ATOM    437  O   ILE A  31       4.044  -1.733   3.171  1.00  0.00           O
ATOM    438  CB  ILE A  31       5.996   0.172   2.118  1.00  0.00           C
ATOM    439  CG1 ILE A  31       7.251   0.967   1.777  1.00  0.00           C
ATOM    440  CG2 ILE A  31       4.915   1.098   2.651  1.00  0.00           C
ATOM    441  CD1 ILE A  31       7.075   1.877   0.582  1.00  0.00           C
ATOM      0  H   ILE A  31       6.690  -2.255   1.572  1.00  0.00           H   new
ATOM      0  HA  ILE A  31       7.008  -0.541   3.891  1.00  0.00           H   new
ATOM      0  HB  ILE A  31       5.635  -0.305   1.206  1.00  0.00           H   new
ATOM      0 HG12 ILE A  31       7.540   1.565   2.641  1.00  0.00           H   new
ATOM      0 HG13 ILE A  31       8.069   0.274   1.580  1.00  0.00           H   new
ATOM      0 HG21 ILE A  31       4.702   1.872   1.913  1.00  0.00           H   new
ATOM      0 HG22 ILE A  31       4.009   0.525   2.847  1.00  0.00           H   new
ATOM      0 HG23 ILE A  31       5.257   1.563   3.576  1.00  0.00           H   new
ATOM      0 HD11 ILE A  31       8.005   2.414   0.393  1.00  0.00           H   new
ATOM      0 HD12 ILE A  31       6.815   1.282  -0.293  1.00  0.00           H   new
ATOM      0 HD13 ILE A  31       6.278   2.592   0.784  1.00  0.00           H   new
ATOM    453  N   PRO A  32       4.928  -1.194   5.150  1.00  0.00           N
ATOM    454  CA  PRO A  32       3.711  -1.519   5.892  1.00  0.00           C
ATOM    455  C   PRO A  32       2.548  -0.638   5.438  1.00  0.00           C
ATOM    456  O   PRO A  32       2.765   0.401   4.812  1.00  0.00           O
ATOM    457  CB  PRO A  32       4.090  -1.226   7.348  1.00  0.00           C
ATOM    458  CG  PRO A  32       5.239  -0.281   7.257  1.00  0.00           C
ATOM    459  CD  PRO A  32       5.994  -0.681   6.023  1.00  0.00           C
ATOM      0  HA  PRO A  32       3.380  -2.547   5.741  1.00  0.00           H   new
ATOM      0  HB2 PRO A  32       3.256  -0.784   7.893  1.00  0.00           H   new
ATOM      0  HB3 PRO A  32       4.368  -2.138   7.876  1.00  0.00           H   new
ATOM      0  HG2 PRO A  32       4.894   0.751   7.188  1.00  0.00           H   new
ATOM      0  HG3 PRO A  32       5.872  -0.347   8.142  1.00  0.00           H   new
ATOM      0  HD2 PRO A  32       6.515   0.165   5.574  1.00  0.00           H   new
ATOM      0  HD3 PRO A  32       6.745  -1.441   6.236  1.00  0.00           H   new
ATOM    467  N   GLY A  33       1.321  -1.042   5.731  1.00  0.00           N
ATOM    468  CA  GLY A  33       0.169  -0.247   5.316  1.00  0.00           C
ATOM    469  C   GLY A  33       0.076   1.093   6.040  1.00  0.00           C
ATOM    470  O   GLY A  33      -1.016   1.549   6.376  1.00  0.00           O
ATOM      0  H   GLY A  33       1.097  -1.895   6.243  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33       0.225  -0.070   4.242  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33      -0.743  -0.816   5.498  1.00  0.00           H   new
ATOM    474  N   SER A  34       1.223   1.720   6.279  1.00  0.00           N
ATOM    475  CA  SER A  34       1.277   3.005   6.969  1.00  0.00           C
ATOM    476  C   SER A  34       1.417   4.174   5.992  1.00  0.00           C
ATOM    477  O   SER A  34       0.436   4.815   5.629  1.00  0.00           O
ATOM    478  CB  SER A  34       2.453   3.014   7.946  1.00  0.00           C
ATOM    479  OG  SER A  34       3.672   2.739   7.272  1.00  0.00           O
ATOM      0  H   SER A  34       2.135   1.356   6.003  1.00  0.00           H   new
ATOM      0  HA  SER A  34       0.338   3.131   7.508  1.00  0.00           H   new
ATOM      0  HB2 SER A  34       2.515   3.985   8.438  1.00  0.00           H   new
ATOM      0  HB3 SER A  34       2.289   2.271   8.727  1.00  0.00           H   new
ATOM      0  HG  SER A  34       4.411   2.751   7.915  1.00  0.00           H   new
ATOM    485  N   ALA A  35       2.647   4.451   5.576  1.00  0.00           N
ATOM    486  CA  ALA A  35       2.915   5.557   4.657  1.00  0.00           C
ATOM    487  C   ALA A  35       2.134   5.434   3.348  1.00  0.00           C
ATOM    488  O   ALA A  35       1.861   6.428   2.676  1.00  0.00           O
ATOM    489  CB  ALA A  35       4.405   5.637   4.368  1.00  0.00           C
ATOM      0  H   ALA A  35       3.475   3.927   5.858  1.00  0.00           H   new
ATOM      0  HA  ALA A  35       2.581   6.472   5.145  1.00  0.00           H   new
ATOM      0  HB1 ALA A  35       4.599   6.462   3.683  1.00  0.00           H   new
ATOM      0  HB2 ALA A  35       4.948   5.803   5.299  1.00  0.00           H   new
ATOM      0  HB3 ALA A  35       4.738   4.703   3.915  1.00  0.00           H   new
ATOM    495  N   ALA A  36       1.804   4.212   2.976  1.00  0.00           N
ATOM    496  CA  ALA A  36       1.084   3.953   1.732  1.00  0.00           C
ATOM    497  C   ALA A  36      -0.136   4.864   1.548  1.00  0.00           C
ATOM    498  O   ALA A  36      -0.330   5.444   0.477  1.00  0.00           O
ATOM    499  CB  ALA A  36       0.658   2.496   1.684  1.00  0.00           C
ATOM      0  H   ALA A  36       2.022   3.375   3.517  1.00  0.00           H   new
ATOM      0  HA  ALA A  36       1.767   4.173   0.912  1.00  0.00           H   new
ATOM      0  HB1 ALA A  36       0.121   2.304   0.755  1.00  0.00           H   new
ATOM      0  HB2 ALA A  36       1.540   1.857   1.732  1.00  0.00           H   new
ATOM      0  HB3 ALA A  36       0.007   2.279   2.531  1.00  0.00           H   new
ATOM    505  N   LYS A  37      -0.957   4.978   2.585  1.00  0.00           N
ATOM    506  CA  LYS A  37      -2.160   5.796   2.527  1.00  0.00           C
ATOM    507  C   LYS A  37      -1.848   7.256   2.221  1.00  0.00           C
ATOM    508  O   LYS A  37      -2.359   7.832   1.262  1.00  0.00           O
ATOM    509  CB  LYS A  37      -2.881   5.707   3.867  1.00  0.00           C
ATOM    510  CG  LYS A  37      -3.965   4.650   3.915  1.00  0.00           C
ATOM    511  CD  LYS A  37      -3.376   3.256   3.822  1.00  0.00           C
ATOM    512  CE  LYS A  37      -4.456   2.211   3.621  1.00  0.00           C
ATOM    513  NZ  LYS A  37      -3.900   0.835   3.680  1.00  0.00           N
ATOM      0  H   LYS A  37      -0.810   4.511   3.480  1.00  0.00           H   new
ATOM      0  HA  LYS A  37      -2.787   5.417   1.720  1.00  0.00           H   new
ATOM      0  HB2 LYS A  37      -2.150   5.499   4.648  1.00  0.00           H   new
ATOM      0  HB3 LYS A  37      -3.323   6.677   4.095  1.00  0.00           H   new
ATOM      0  HG2 LYS A  37      -4.531   4.747   4.842  1.00  0.00           H   new
ATOM      0  HG3 LYS A  37      -4.666   4.807   3.095  1.00  0.00           H   new
ATOM      0  HD2 LYS A  37      -2.668   3.213   2.995  1.00  0.00           H   new
ATOM      0  HD3 LYS A  37      -2.818   3.034   4.731  1.00  0.00           H   new
ATOM      0  HE2 LYS A  37      -5.223   2.328   4.386  1.00  0.00           H   new
ATOM      0  HE3 LYS A  37      -4.941   2.368   2.657  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  37      -4.665   0.145   3.539  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  37      -3.185   0.717   2.934  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  37      -3.460   0.678   4.609  1.00  0.00           H   new
ATOM    527  N   GLU A  38      -1.009   7.839   3.048  1.00  0.00           N
ATOM    528  CA  GLU A  38      -0.614   9.216   2.899  1.00  0.00           C
ATOM    529  C   GLU A  38       0.092   9.435   1.572  1.00  0.00           C
ATOM    530  O   GLU A  38      -0.285  10.295   0.781  1.00  0.00           O
ATOM    531  CB  GLU A  38       0.309   9.589   4.050  1.00  0.00           C
ATOM    532  CG  GLU A  38      -0.409   9.842   5.372  1.00  0.00           C
ATOM    533  CD  GLU A  38      -1.053   8.595   5.955  1.00  0.00           C
ATOM    534  OE1 GLU A  38      -0.893   7.508   5.364  1.00  0.00           O
ATOM    535  OE2 GLU A  38      -1.711   8.708   7.010  1.00  0.00           O
ATOM      0  H   GLU A  38      -0.582   7.367   3.845  1.00  0.00           H   new
ATOM      0  HA  GLU A  38      -1.502   9.848   2.914  1.00  0.00           H   new
ATOM      0  HB2 GLU A  38       1.036   8.789   4.192  1.00  0.00           H   new
ATOM      0  HB3 GLU A  38       0.869  10.484   3.777  1.00  0.00           H   new
ATOM      0  HG2 GLU A  38       0.303  10.246   6.092  1.00  0.00           H   new
ATOM      0  HG3 GLU A  38      -1.176  10.602   5.221  1.00  0.00           H   new
ATOM    542  N   PHE A  39       1.113   8.640   1.329  1.00  0.00           N
ATOM    543  CA  PHE A  39       1.870   8.737   0.099  1.00  0.00           C
ATOM    544  C   PHE A  39       0.928   8.830  -1.104  1.00  0.00           C
ATOM    545  O   PHE A  39       1.022   9.752  -1.919  1.00  0.00           O
ATOM    546  CB  PHE A  39       2.767   7.513  -0.021  1.00  0.00           C
ATOM    547  CG  PHE A  39       4.198   7.837  -0.330  1.00  0.00           C
ATOM    548  CD1 PHE A  39       4.525   8.690  -1.370  1.00  0.00           C
ATOM    549  CD2 PHE A  39       5.220   7.282   0.423  1.00  0.00           C
ATOM    550  CE1 PHE A  39       5.844   8.985  -1.654  1.00  0.00           C
ATOM    551  CE2 PHE A  39       6.542   7.570   0.143  1.00  0.00           C
ATOM    552  CZ  PHE A  39       6.854   8.424  -0.896  1.00  0.00           C
ATOM      0  H   PHE A  39       1.439   7.917   1.970  1.00  0.00           H   new
ATOM      0  HA  PHE A  39       2.481   9.639   0.116  1.00  0.00           H   new
ATOM      0  HB2 PHE A  39       2.725   6.951   0.912  1.00  0.00           H   new
ATOM      0  HB3 PHE A  39       2.375   6.862  -0.803  1.00  0.00           H   new
ATOM      0  HD1 PHE A  39       3.739   9.130  -1.966  1.00  0.00           H   new
ATOM      0  HD2 PHE A  39       4.980   6.616   1.239  1.00  0.00           H   new
ATOM      0  HE1 PHE A  39       6.086   9.653  -2.467  1.00  0.00           H   new
ATOM      0  HE2 PHE A  39       7.329   7.128   0.736  1.00  0.00           H   new
ATOM      0  HZ  PHE A  39       7.886   8.653  -1.116  1.00  0.00           H   new
ATOM    562  N   PHE A  40       0.012   7.877  -1.209  1.00  0.00           N
ATOM    563  CA  PHE A  40      -0.945   7.872  -2.311  1.00  0.00           C
ATOM    564  C   PHE A  40      -1.992   8.977  -2.165  1.00  0.00           C
ATOM    565  O   PHE A  40      -2.153   9.816  -3.058  1.00  0.00           O
ATOM    566  CB  PHE A  40      -1.639   6.517  -2.395  1.00  0.00           C
ATOM    567  CG  PHE A  40      -0.771   5.434  -2.962  1.00  0.00           C
ATOM    568  CD1 PHE A  40      -0.319   5.513  -4.268  1.00  0.00           C
ATOM    569  CD2 PHE A  40      -0.405   4.342  -2.194  1.00  0.00           C
ATOM    570  CE1 PHE A  40       0.482   4.522  -4.800  1.00  0.00           C
ATOM    571  CE2 PHE A  40       0.396   3.346  -2.720  1.00  0.00           C
ATOM    572  CZ  PHE A  40       0.841   3.437  -4.025  1.00  0.00           C
ATOM      0  H   PHE A  40      -0.090   7.103  -0.552  1.00  0.00           H   new
ATOM      0  HA  PHE A  40      -0.387   8.060  -3.228  1.00  0.00           H   new
ATOM      0  HB2 PHE A  40      -1.967   6.224  -1.398  1.00  0.00           H   new
ATOM      0  HB3 PHE A  40      -2.534   6.614  -3.010  1.00  0.00           H   new
ATOM      0  HD1 PHE A  40      -0.596   6.360  -4.878  1.00  0.00           H   new
ATOM      0  HD2 PHE A  40      -0.749   4.268  -1.173  1.00  0.00           H   new
ATOM      0  HE1 PHE A  40       0.827   4.595  -5.821  1.00  0.00           H   new
ATOM      0  HE2 PHE A  40       0.674   2.498  -2.112  1.00  0.00           H   new
ATOM      0  HZ  PHE A  40       1.468   2.661  -4.438  1.00  0.00           H   new
ATOM    582  N   THR A  41      -2.693   8.995  -1.036  1.00  0.00           N
ATOM    583  CA  THR A  41      -3.710  10.016  -0.800  1.00  0.00           C
ATOM    584  C   THR A  41      -3.143  11.403  -1.049  1.00  0.00           C
ATOM    585  O   THR A  41      -3.688  12.170  -1.842  1.00  0.00           O
ATOM    586  CB  THR A  41      -4.291   9.943   0.625  1.00  0.00           C
ATOM    587  OG1 THR A  41      -5.302   8.931   0.680  1.00  0.00           O
ATOM    588  CG2 THR A  41      -4.880  11.283   1.042  1.00  0.00           C
ATOM      0  H   THR A  41      -2.579   8.323  -0.277  1.00  0.00           H   new
ATOM      0  HA  THR A  41      -4.521   9.821  -1.502  1.00  0.00           H   new
ATOM      0  HB  THR A  41      -3.485   9.694   1.315  1.00  0.00           H   new
ATOM      0  HG1 THR A  41      -5.684   8.802  -0.213  1.00  0.00           H   new
ATOM      0 HG21 THR A  41      -5.283  11.205   2.052  1.00  0.00           H   new
ATOM      0 HG22 THR A  41      -4.101  12.045   1.021  1.00  0.00           H   new
ATOM      0 HG23 THR A  41      -5.678  11.560   0.353  1.00  0.00           H   new
ATOM    596  N   LYS A  42      -2.026  11.708  -0.409  1.00  0.00           N
ATOM    597  CA  LYS A  42      -1.375  12.995  -0.610  1.00  0.00           C
ATOM    598  C   LYS A  42      -1.390  13.340  -2.087  1.00  0.00           C
ATOM    599  O   LYS A  42      -1.661  14.470  -2.483  1.00  0.00           O
ATOM    600  CB  LYS A  42       0.082  12.939  -0.153  1.00  0.00           C
ATOM    601  CG  LYS A  42       0.284  12.981   1.350  1.00  0.00           C
ATOM    602  CD  LYS A  42       1.754  12.806   1.705  1.00  0.00           C
ATOM    603  CE  LYS A  42       2.609  13.934   1.142  1.00  0.00           C
ATOM    604  NZ  LYS A  42       2.507  14.033  -0.342  1.00  0.00           N
ATOM      0  H   LYS A  42      -1.553  11.089   0.249  1.00  0.00           H   new
ATOM      0  HA  LYS A  42      -1.912  13.745  -0.029  1.00  0.00           H   new
ATOM      0  HB2 LYS A  42       0.534  12.026  -0.540  1.00  0.00           H   new
ATOM      0  HB3 LYS A  42       0.620  13.775  -0.600  1.00  0.00           H   new
ATOM      0  HG2 LYS A  42      -0.079  13.931   1.743  1.00  0.00           H   new
ATOM      0  HG3 LYS A  42      -0.305  12.194   1.822  1.00  0.00           H   new
ATOM      0  HD2 LYS A  42       1.865  12.772   2.789  1.00  0.00           H   new
ATOM      0  HD3 LYS A  42       2.110  11.851   1.318  1.00  0.00           H   new
ATOM      0  HE2 LYS A  42       2.301  14.879   1.589  1.00  0.00           H   new
ATOM      0  HE3 LYS A  42       3.650  13.773   1.423  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  42       3.411  14.371  -0.730  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  42       2.288  13.097  -0.738  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  42       1.751  14.701  -0.594  1.00  0.00           H   new
ATOM    618  N   SER A  43      -1.085  12.338  -2.893  1.00  0.00           N
ATOM    619  CA  SER A  43      -1.051  12.500  -4.335  1.00  0.00           C
ATOM    620  C   SER A  43      -2.409  12.945  -4.864  1.00  0.00           C
ATOM    621  O   SER A  43      -2.484  13.799  -5.745  1.00  0.00           O
ATOM    622  CB  SER A  43      -0.619  11.195  -5.005  1.00  0.00           C
ATOM    623  OG  SER A  43       0.672  10.799  -4.565  1.00  0.00           O
ATOM      0  H   SER A  43      -0.856  11.398  -2.570  1.00  0.00           H   new
ATOM      0  HA  SER A  43      -0.323  13.275  -4.575  1.00  0.00           H   new
ATOM      0  HB2 SER A  43      -1.341  10.410  -4.779  1.00  0.00           H   new
ATOM      0  HB3 SER A  43      -0.615  11.322  -6.088  1.00  0.00           H   new
ATOM      0  HG  SER A  43       0.619  10.483  -3.639  1.00  0.00           H   new
ATOM    629  N   LYS A  44      -3.479  12.373  -4.308  1.00  0.00           N
ATOM    630  CA  LYS A  44      -4.841  12.729  -4.721  1.00  0.00           C
ATOM    631  C   LYS A  44      -5.845  11.607  -4.449  1.00  0.00           C
ATOM    632  O   LYS A  44      -6.971  11.860  -4.024  1.00  0.00           O
ATOM    633  CB  LYS A  44      -4.870  13.077  -6.207  1.00  0.00           C
ATOM    634  CG  LYS A  44      -5.390  14.474  -6.489  1.00  0.00           C
ATOM    635  CD  LYS A  44      -6.852  14.453  -6.893  1.00  0.00           C
ATOM    636  CE  LYS A  44      -7.057  13.681  -8.186  1.00  0.00           C
ATOM    637  NZ  LYS A  44      -8.464  13.762  -8.662  1.00  0.00           N
ATOM      0  H   LYS A  44      -3.431  11.665  -3.575  1.00  0.00           H   new
ATOM      0  HA  LYS A  44      -5.134  13.594  -4.126  1.00  0.00           H   new
ATOM      0  HB2 LYS A  44      -3.863  12.983  -6.614  1.00  0.00           H   new
ATOM      0  HB3 LYS A  44      -5.494  12.353  -6.730  1.00  0.00           H   new
ATOM      0  HG2 LYS A  44      -5.266  15.095  -5.602  1.00  0.00           H   new
ATOM      0  HG3 LYS A  44      -4.799  14.930  -7.283  1.00  0.00           H   new
ATOM      0  HD2 LYS A  44      -7.444  13.999  -6.098  1.00  0.00           H   new
ATOM      0  HD3 LYS A  44      -7.212  15.474  -7.016  1.00  0.00           H   new
ATOM      0  HE2 LYS A  44      -6.391  14.075  -8.954  1.00  0.00           H   new
ATOM      0  HE3 LYS A  44      -6.785  12.637  -8.033  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  44      -8.563  13.223  -9.546  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  44      -9.098  13.363  -7.940  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  44      -8.716  14.756  -8.833  1.00  0.00           H   new
ATOM    651  N   LEU A  45      -5.450  10.372  -4.731  1.00  0.00           N
ATOM    652  CA  LEU A  45      -6.337   9.223  -4.545  1.00  0.00           C
ATOM    653  C   LEU A  45      -6.794   9.041  -3.094  1.00  0.00           C
ATOM    654  O   LEU A  45      -5.989   8.963  -2.166  1.00  0.00           O
ATOM    655  CB  LEU A  45      -5.663   7.950  -5.046  1.00  0.00           C
ATOM    656  CG  LEU A  45      -5.932   7.624  -6.513  1.00  0.00           C
ATOM    657  CD1 LEU A  45      -7.409   7.328  -6.718  1.00  0.00           C
ATOM    658  CD2 LEU A  45      -5.491   8.774  -7.407  1.00  0.00           C
ATOM      0  H   LEU A  45      -4.524  10.137  -5.089  1.00  0.00           H   new
ATOM      0  HA  LEU A  45      -7.233   9.424  -5.132  1.00  0.00           H   new
ATOM      0  HB2 LEU A  45      -4.587   8.042  -4.899  1.00  0.00           H   new
ATOM      0  HB3 LEU A  45      -5.997   7.112  -4.434  1.00  0.00           H   new
ATOM      0  HG  LEU A  45      -5.355   6.740  -6.785  1.00  0.00           H   new
ATOM      0 HD11 LEU A  45      -7.591   7.097  -7.767  1.00  0.00           H   new
ATOM      0 HD12 LEU A  45      -7.698   6.476  -6.103  1.00  0.00           H   new
ATOM      0 HD13 LEU A  45      -7.998   8.199  -6.431  1.00  0.00           H   new
ATOM      0 HD21 LEU A  45      -5.691   8.522  -8.449  1.00  0.00           H   new
ATOM      0 HD22 LEU A  45      -6.042   9.675  -7.139  1.00  0.00           H   new
ATOM      0 HD23 LEU A  45      -4.423   8.949  -7.275  1.00  0.00           H   new
ATOM    670  N   PRO A  46      -8.116   8.953  -2.899  1.00  0.00           N
ATOM    671  CA  PRO A  46      -8.726   8.768  -1.577  1.00  0.00           C
ATOM    672  C   PRO A  46      -8.592   7.336  -1.039  1.00  0.00           C
ATOM    673  O   PRO A  46      -8.379   6.386  -1.794  1.00  0.00           O
ATOM    674  CB  PRO A  46     -10.196   9.102  -1.830  1.00  0.00           C
ATOM    675  CG  PRO A  46     -10.421   8.735  -3.255  1.00  0.00           C
ATOM    676  CD  PRO A  46      -9.127   9.024  -3.968  1.00  0.00           C
ATOM      0  HA  PRO A  46      -8.242   9.388  -0.822  1.00  0.00           H   new
ATOM      0  HB2 PRO A  46     -10.851   8.538  -1.166  1.00  0.00           H   new
ATOM      0  HB3 PRO A  46     -10.399  10.159  -1.655  1.00  0.00           H   new
ATOM      0  HG2 PRO A  46     -10.692   7.683  -3.349  1.00  0.00           H   new
ATOM      0  HG3 PRO A  46     -11.240   9.314  -3.682  1.00  0.00           H   new
ATOM      0  HD2 PRO A  46      -8.931   8.294  -4.754  1.00  0.00           H   new
ATOM      0  HD3 PRO A  46      -9.141  10.006  -4.441  1.00  0.00           H   new
ATOM    684  N   ILE A  47      -8.729   7.198   0.276  1.00  0.00           N
ATOM    685  CA  ILE A  47      -8.633   5.896   0.947  1.00  0.00           C
ATOM    686  C   ILE A  47      -9.421   4.806   0.208  1.00  0.00           C
ATOM    687  O   ILE A  47      -9.046   3.633   0.223  1.00  0.00           O
ATOM    688  CB  ILE A  47      -9.176   5.957   2.390  1.00  0.00           C
ATOM    689  CG1 ILE A  47      -8.467   7.034   3.217  1.00  0.00           C
ATOM    690  CG2 ILE A  47      -9.040   4.597   3.056  1.00  0.00           C
ATOM    691  CD1 ILE A  47      -8.835   8.449   2.825  1.00  0.00           C
ATOM      0  H   ILE A  47      -8.909   7.978   0.908  1.00  0.00           H   new
ATOM      0  HA  ILE A  47      -7.571   5.649   0.951  1.00  0.00           H   new
ATOM      0  HB  ILE A  47     -10.231   6.226   2.340  1.00  0.00           H   new
ATOM      0 HG12 ILE A  47      -8.706   6.885   4.270  1.00  0.00           H   new
ATOM      0 HG13 ILE A  47      -7.389   6.907   3.113  1.00  0.00           H   new
ATOM      0 HG21 ILE A  47      -9.426   4.650   4.074  1.00  0.00           H   new
ATOM      0 HG22 ILE A  47      -9.607   3.857   2.491  1.00  0.00           H   new
ATOM      0 HG23 ILE A  47      -7.989   4.307   3.081  1.00  0.00           H   new
ATOM      0 HD11 ILE A  47      -8.293   9.154   3.455  1.00  0.00           H   new
ATOM      0 HD12 ILE A  47      -8.571   8.618   1.781  1.00  0.00           H   new
ATOM      0 HD13 ILE A  47      -9.907   8.596   2.956  1.00  0.00           H   new
ATOM    703  N   LEU A  48     -10.527   5.201  -0.416  1.00  0.00           N
ATOM    704  CA  LEU A  48     -11.391   4.269  -1.145  1.00  0.00           C
ATOM    705  C   LEU A  48     -10.561   3.355  -2.046  1.00  0.00           C
ATOM    706  O   LEU A  48     -10.208   2.234  -1.666  1.00  0.00           O
ATOM    707  CB  LEU A  48     -12.384   5.061  -1.994  1.00  0.00           C
ATOM    708  CG  LEU A  48     -13.866   4.849  -1.672  1.00  0.00           C
ATOM    709  CD1 LEU A  48     -14.244   3.381  -1.777  1.00  0.00           C
ATOM    710  CD2 LEU A  48     -14.200   5.395  -0.292  1.00  0.00           C
ATOM      0  H   LEU A  48     -10.851   6.168  -0.433  1.00  0.00           H   new
ATOM      0  HA  LEU A  48     -11.927   3.651  -0.425  1.00  0.00           H   new
ATOM      0  HB2 LEU A  48     -12.158   6.122  -1.886  1.00  0.00           H   new
ATOM      0  HB3 LEU A  48     -12.221   4.805  -3.041  1.00  0.00           H   new
ATOM      0  HG  LEU A  48     -14.452   5.399  -2.408  1.00  0.00           H   new
ATOM      0 HD11 LEU A  48     -15.302   3.260  -1.543  1.00  0.00           H   new
ATOM      0 HD12 LEU A  48     -14.054   3.028  -2.791  1.00  0.00           H   new
ATOM      0 HD13 LEU A  48     -13.648   2.801  -1.073  1.00  0.00           H   new
ATOM      0 HD21 LEU A  48     -15.258   5.234  -0.083  1.00  0.00           H   new
ATOM      0 HD22 LEU A  48     -13.600   4.880   0.458  1.00  0.00           H   new
ATOM      0 HD23 LEU A  48     -13.982   6.463  -0.261  1.00  0.00           H   new
ATOM    722  N   GLU A  49     -10.227   3.840  -3.234  1.00  0.00           N
ATOM    723  CA  GLU A  49      -9.416   3.062  -4.154  1.00  0.00           C
ATOM    724  C   GLU A  49      -8.212   2.486  -3.416  1.00  0.00           C
ATOM    725  O   GLU A  49      -7.916   1.302  -3.516  1.00  0.00           O
ATOM    726  CB  GLU A  49      -8.943   3.938  -5.314  1.00  0.00           C
ATOM    727  CG  GLU A  49      -9.627   3.654  -6.644  1.00  0.00           C
ATOM    728  CD  GLU A  49     -11.130   3.862  -6.615  1.00  0.00           C
ATOM    729  OE1 GLU A  49     -11.578   4.882  -6.053  1.00  0.00           O
ATOM    730  OE2 GLU A  49     -11.854   3.035  -7.211  1.00  0.00           O
ATOM      0  H   GLU A  49     -10.503   4.759  -3.579  1.00  0.00           H   new
ATOM      0  HA  GLU A  49     -10.019   2.247  -4.554  1.00  0.00           H   new
ATOM      0  HB2 GLU A  49      -9.107   4.983  -5.052  1.00  0.00           H   new
ATOM      0  HB3 GLU A  49      -7.868   3.805  -5.438  1.00  0.00           H   new
ATOM      0  HG2 GLU A  49      -9.195   4.299  -7.409  1.00  0.00           H   new
ATOM      0  HG3 GLU A  49      -9.417   2.626  -6.938  1.00  0.00           H   new
ATOM    737  N   LEU A  50      -7.537   3.328  -2.645  1.00  0.00           N
ATOM    738  CA  LEU A  50      -6.383   2.887  -1.870  1.00  0.00           C
ATOM    739  C   LEU A  50      -6.670   1.540  -1.197  1.00  0.00           C
ATOM    740  O   LEU A  50      -5.852   0.622  -1.235  1.00  0.00           O
ATOM    741  CB  LEU A  50      -6.023   3.939  -0.812  1.00  0.00           C
ATOM    742  CG  LEU A  50      -4.997   4.992  -1.247  1.00  0.00           C
ATOM    743  CD1 LEU A  50      -3.650   4.342  -1.524  1.00  0.00           C
ATOM    744  CD2 LEU A  50      -5.486   5.756  -2.469  1.00  0.00           C
ATOM      0  H   LEU A  50      -7.766   4.316  -2.539  1.00  0.00           H   new
ATOM      0  HA  LEU A  50      -5.538   2.763  -2.548  1.00  0.00           H   new
ATOM      0  HB2 LEU A  50      -6.936   4.451  -0.509  1.00  0.00           H   new
ATOM      0  HB3 LEU A  50      -5.638   3.425   0.069  1.00  0.00           H   new
ATOM      0  HG  LEU A  50      -4.875   5.704  -0.431  1.00  0.00           H   new
ATOM      0 HD11 LEU A  50      -2.934   5.105  -1.831  1.00  0.00           H   new
ATOM      0 HD12 LEU A  50      -3.290   3.850  -0.620  1.00  0.00           H   new
ATOM      0 HD13 LEU A  50      -3.759   3.605  -2.319  1.00  0.00           H   new
ATOM      0 HD21 LEU A  50      -4.740   6.497  -2.757  1.00  0.00           H   new
ATOM      0 HD22 LEU A  50      -5.645   5.061  -3.293  1.00  0.00           H   new
ATOM      0 HD23 LEU A  50      -6.424   6.258  -2.233  1.00  0.00           H   new
ATOM    756  N   SER A  51      -7.841   1.436  -0.583  1.00  0.00           N
ATOM    757  CA  SER A  51      -8.245   0.213   0.104  1.00  0.00           C
ATOM    758  C   SER A  51      -8.458  -0.943  -0.876  1.00  0.00           C
ATOM    759  O   SER A  51      -7.937  -2.038  -0.676  1.00  0.00           O
ATOM    760  CB  SER A  51      -9.524   0.459   0.908  1.00  0.00           C
ATOM    761  OG  SER A  51      -9.351   1.528   1.828  1.00  0.00           O
ATOM      0  H   SER A  51      -8.531   2.186  -0.546  1.00  0.00           H   new
ATOM      0  HA  SER A  51      -7.438  -0.068   0.781  1.00  0.00           H   new
ATOM      0  HB2 SER A  51     -10.346   0.688   0.229  1.00  0.00           H   new
ATOM      0  HB3 SER A  51      -9.799  -0.448   1.447  1.00  0.00           H   new
ATOM      0  HG  SER A  51      -9.116   2.345   1.340  1.00  0.00           H   new
ATOM    767  N   HIS A  52      -9.221  -0.706  -1.939  1.00  0.00           N
ATOM    768  CA  HIS A  52      -9.478  -1.760  -2.925  1.00  0.00           C
ATOM    769  C   HIS A  52      -8.179  -2.197  -3.605  1.00  0.00           C
ATOM    770  O   HIS A  52      -7.956  -3.385  -3.852  1.00  0.00           O
ATOM    771  CB  HIS A  52     -10.492  -1.303  -3.979  1.00  0.00           C
ATOM    772  CG  HIS A  52     -10.965  -2.421  -4.858  1.00  0.00           C
ATOM    773  ND1 HIS A  52     -11.579  -3.560  -4.382  1.00  0.00           N
ATOM    774  CD2 HIS A  52     -10.894  -2.571  -6.205  1.00  0.00           C
ATOM    775  CE1 HIS A  52     -11.847  -4.351  -5.428  1.00  0.00           C
ATOM    776  NE2 HIS A  52     -11.454  -3.798  -6.558  1.00  0.00           N
ATOM      0  H   HIS A  52      -9.667   0.189  -2.141  1.00  0.00           H   new
ATOM      0  HA  HIS A  52      -9.900  -2.611  -2.390  1.00  0.00           H   new
ATOM      0  HB2 HIS A  52     -11.350  -0.853  -3.479  1.00  0.00           H   new
ATOM      0  HB3 HIS A  52     -10.041  -0.527  -4.598  1.00  0.00           H   new
ATOM      0  HD2 HIS A  52     -10.471  -1.854  -6.893  1.00  0.00           H   new
ATOM      0  HE1 HIS A  52     -12.324  -5.317  -5.355  1.00  0.00           H   new
ATOM      0  HE2 HIS A  52     -11.541  -4.187  -7.497  1.00  0.00           H   new
ATOM    784  N   ILE A  53      -7.325  -1.227  -3.900  1.00  0.00           N
ATOM    785  CA  ILE A  53      -6.046  -1.494  -4.548  1.00  0.00           C
ATOM    786  C   ILE A  53      -5.088  -2.258  -3.634  1.00  0.00           C
ATOM    787  O   ILE A  53      -4.560  -3.300  -4.020  1.00  0.00           O
ATOM    788  CB  ILE A  53      -5.369  -0.188  -5.006  1.00  0.00           C
ATOM    789  CG1 ILE A  53      -6.237   0.515  -6.050  1.00  0.00           C
ATOM    790  CG2 ILE A  53      -3.981  -0.473  -5.567  1.00  0.00           C
ATOM    791  CD1 ILE A  53      -6.472  -0.316  -7.293  1.00  0.00           C
ATOM      0  H   ILE A  53      -7.495  -0.241  -3.700  1.00  0.00           H   new
ATOM      0  HA  ILE A  53      -6.267  -2.114  -5.417  1.00  0.00           H   new
ATOM      0  HB  ILE A  53      -5.259   0.470  -4.144  1.00  0.00           H   new
ATOM      0 HG12 ILE A  53      -7.199   0.766  -5.603  1.00  0.00           H   new
ATOM      0 HG13 ILE A  53      -5.762   1.454  -6.334  1.00  0.00           H   new
ATOM      0 HG21 ILE A  53      -3.518   0.461  -5.885  1.00  0.00           H   new
ATOM      0 HG22 ILE A  53      -3.366  -0.939  -4.797  1.00  0.00           H   new
ATOM      0 HG23 ILE A  53      -4.065  -1.146  -6.421  1.00  0.00           H   new
ATOM      0 HD11 ILE A  53      -7.095   0.242  -7.992  1.00  0.00           H   new
ATOM      0 HD12 ILE A  53      -5.516  -0.546  -7.763  1.00  0.00           H   new
ATOM      0 HD13 ILE A  53      -6.975  -1.244  -7.021  1.00  0.00           H   new
ATOM    803  N   TRP A  54      -4.861  -1.746  -2.422  1.00  0.00           N
ATOM    804  CA  TRP A  54      -3.953  -2.403  -1.482  1.00  0.00           C
ATOM    805  C   TRP A  54      -4.190  -3.903  -1.458  1.00  0.00           C
ATOM    806  O   TRP A  54      -3.279  -4.693  -1.700  1.00  0.00           O
ATOM    807  CB  TRP A  54      -4.143  -1.856  -0.069  1.00  0.00           C
ATOM    808  CG  TRP A  54      -3.257  -2.535   0.931  1.00  0.00           C
ATOM    809  CD1 TRP A  54      -3.544  -3.666   1.639  1.00  0.00           C
ATOM    810  CD2 TRP A  54      -1.946  -2.127   1.344  1.00  0.00           C
ATOM    811  NE1 TRP A  54      -2.487  -3.994   2.452  1.00  0.00           N
ATOM    812  CE2 TRP A  54      -1.497  -3.062   2.295  1.00  0.00           C
ATOM    813  CE3 TRP A  54      -1.106  -1.063   0.999  1.00  0.00           C
ATOM    814  CZ2 TRP A  54      -0.249  -2.966   2.905  1.00  0.00           C
ATOM    815  CZ3 TRP A  54       0.133  -0.967   1.607  1.00  0.00           C
ATOM    816  CH2 TRP A  54       0.551  -1.913   2.549  1.00  0.00           C
ATOM      0  H   TRP A  54      -5.288  -0.888  -2.072  1.00  0.00           H   new
ATOM      0  HA  TRP A  54      -2.936  -2.200  -1.819  1.00  0.00           H   new
ATOM      0  HB2 TRP A  54      -3.936  -0.786  -0.066  1.00  0.00           H   new
ATOM      0  HB3 TRP A  54      -5.184  -1.980   0.229  1.00  0.00           H   new
ATOM      0  HD1 TRP A  54      -4.467  -4.222   1.570  1.00  0.00           H   new
ATOM      0  HE1 TRP A  54      -2.446  -4.802   3.073  1.00  0.00           H   new
ATOM      0  HE3 TRP A  54      -1.419  -0.329   0.271  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  54       0.076  -3.695   3.632  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  54       0.788  -0.148   1.350  1.00  0.00           H   new
ATOM      0  HH2 TRP A  54       1.525  -1.811   3.005  1.00  0.00           H   new
ATOM    827  N   GLU A  55      -5.424  -4.295  -1.180  1.00  0.00           N
ATOM    828  CA  GLU A  55      -5.765  -5.711  -1.138  1.00  0.00           C
ATOM    829  C   GLU A  55      -5.278  -6.400  -2.413  1.00  0.00           C
ATOM    830  O   GLU A  55      -4.506  -7.359  -2.357  1.00  0.00           O
ATOM    831  CB  GLU A  55      -7.278  -5.893  -0.963  1.00  0.00           C
ATOM    832  CG  GLU A  55      -7.692  -6.456   0.393  1.00  0.00           C
ATOM    833  CD  GLU A  55      -7.131  -5.689   1.567  1.00  0.00           C
ATOM    834  OE1 GLU A  55      -7.437  -4.488   1.720  1.00  0.00           O
ATOM    835  OE2 GLU A  55      -6.400  -6.306   2.359  1.00  0.00           O
ATOM      0  H   GLU A  55      -6.199  -3.662  -0.982  1.00  0.00           H   new
ATOM      0  HA  GLU A  55      -5.270  -6.171  -0.283  1.00  0.00           H   new
ATOM      0  HB2 GLU A  55      -7.767  -4.929  -1.107  1.00  0.00           H   new
ATOM      0  HB3 GLU A  55      -7.645  -6.557  -1.746  1.00  0.00           H   new
ATOM      0  HG2 GLU A  55      -8.780  -6.458   0.459  1.00  0.00           H   new
ATOM      0  HG3 GLU A  55      -7.367  -7.494   0.460  1.00  0.00           H   new
ATOM    842  N   LEU A  56      -5.698  -5.881  -3.567  1.00  0.00           N
ATOM    843  CA  LEU A  56      -5.273  -6.432  -4.853  1.00  0.00           C
ATOM    844  C   LEU A  56      -3.754  -6.604  -4.891  1.00  0.00           C
ATOM    845  O   LEU A  56      -3.237  -7.631  -5.333  1.00  0.00           O
ATOM    846  CB  LEU A  56      -5.725  -5.508  -5.994  1.00  0.00           C
ATOM    847  CG  LEU A  56      -7.240  -5.377  -6.144  1.00  0.00           C
ATOM    848  CD1 LEU A  56      -7.600  -4.284  -7.141  1.00  0.00           C
ATOM    849  CD2 LEU A  56      -7.831  -6.705  -6.583  1.00  0.00           C
ATOM      0  H   LEU A  56      -6.330  -5.083  -3.637  1.00  0.00           H   new
ATOM      0  HA  LEU A  56      -5.735  -7.411  -4.980  1.00  0.00           H   new
ATOM      0  HB2 LEU A  56      -5.302  -4.517  -5.830  1.00  0.00           H   new
ATOM      0  HB3 LEU A  56      -5.311  -5.880  -6.931  1.00  0.00           H   new
ATOM      0  HG  LEU A  56      -7.658  -5.100  -5.177  1.00  0.00           H   new
ATOM      0 HD11 LEU A  56      -8.684  -4.213  -7.228  1.00  0.00           H   new
ATOM      0 HD12 LEU A  56      -7.201  -3.330  -6.796  1.00  0.00           H   new
ATOM      0 HD13 LEU A  56      -7.173  -4.525  -8.115  1.00  0.00           H   new
ATOM      0 HD21 LEU A  56      -8.911  -6.605  -6.688  1.00  0.00           H   new
ATOM      0 HD22 LEU A  56      -7.399  -6.997  -7.540  1.00  0.00           H   new
ATOM      0 HD23 LEU A  56      -7.608  -7.467  -5.836  1.00  0.00           H   new
ATOM    861  N   SER A  57      -3.045  -5.584  -4.430  1.00  0.00           N
ATOM    862  CA  SER A  57      -1.585  -5.601  -4.410  1.00  0.00           C
ATOM    863  C   SER A  57      -1.025  -6.521  -3.319  1.00  0.00           C
ATOM    864  O   SER A  57       0.118  -6.967  -3.412  1.00  0.00           O
ATOM    865  CB  SER A  57      -1.049  -4.183  -4.236  1.00  0.00           C
ATOM    866  OG  SER A  57      -1.303  -3.394  -5.391  1.00  0.00           O
ATOM      0  H   SER A  57      -3.458  -4.727  -4.062  1.00  0.00           H   new
ATOM      0  HA  SER A  57      -1.251  -6.003  -5.367  1.00  0.00           H   new
ATOM      0  HB2 SER A  57      -1.514  -3.720  -3.366  1.00  0.00           H   new
ATOM      0  HB3 SER A  57       0.023  -4.217  -4.044  1.00  0.00           H   new
ATOM      0  HG  SER A  57      -1.569  -2.491  -5.118  1.00  0.00           H   new
ATOM    872  N   ASP A  58      -1.823  -6.817  -2.295  1.00  0.00           N
ATOM    873  CA  ASP A  58      -1.366  -7.697  -1.214  1.00  0.00           C
ATOM    874  C   ASP A  58      -1.833  -9.125  -1.462  1.00  0.00           C
ATOM    875  O   ASP A  58      -2.477  -9.745  -0.615  1.00  0.00           O
ATOM    876  CB  ASP A  58      -1.871  -7.229   0.152  1.00  0.00           C
ATOM    877  CG  ASP A  58      -0.945  -7.673   1.268  1.00  0.00           C
ATOM    878  OD1 ASP A  58       0.161  -7.119   1.361  1.00  0.00           O
ATOM    879  OD2 ASP A  58      -1.297  -8.593   2.031  1.00  0.00           O
ATOM      0  H   ASP A  58      -2.776  -6.468  -2.188  1.00  0.00           H   new
ATOM      0  HA  ASP A  58      -0.277  -7.660  -1.206  1.00  0.00           H   new
ATOM      0  HB2 ASP A  58      -1.954  -6.142   0.158  1.00  0.00           H   new
ATOM      0  HB3 ASP A  58      -2.871  -7.626   0.327  1.00  0.00           H   new
ATOM    884  N   PHE A  59      -1.507  -9.648  -2.633  1.00  0.00           N
ATOM    885  CA  PHE A  59      -1.892 -11.006  -2.995  1.00  0.00           C
ATOM    886  C   PHE A  59      -1.500 -12.010  -1.907  1.00  0.00           C
ATOM    887  O   PHE A  59      -1.925 -13.164  -1.936  1.00  0.00           O
ATOM    888  CB  PHE A  59      -1.244 -11.411  -4.319  1.00  0.00           C
ATOM    889  CG  PHE A  59      -1.730 -10.624  -5.505  1.00  0.00           C
ATOM    890  CD1 PHE A  59      -3.048 -10.715  -5.922  1.00  0.00           C
ATOM    891  CD2 PHE A  59      -0.865  -9.800  -6.208  1.00  0.00           C
ATOM    892  CE1 PHE A  59      -3.495 -10.000  -7.016  1.00  0.00           C
ATOM    893  CE2 PHE A  59      -1.306  -9.084  -7.306  1.00  0.00           C
ATOM    894  CZ  PHE A  59      -2.622  -9.185  -7.710  1.00  0.00           C
ATOM      0  H   PHE A  59      -0.976  -9.154  -3.351  1.00  0.00           H   new
ATOM      0  HA  PHE A  59      -2.977 -11.019  -3.102  1.00  0.00           H   new
ATOM      0  HB2 PHE A  59      -0.164 -11.291  -4.235  1.00  0.00           H   new
ATOM      0  HB3 PHE A  59      -1.434 -12.470  -4.496  1.00  0.00           H   new
ATOM      0  HD1 PHE A  59      -3.734 -11.353  -5.385  1.00  0.00           H   new
ATOM      0  HD2 PHE A  59       0.165  -9.716  -5.895  1.00  0.00           H   new
ATOM      0  HE1 PHE A  59      -4.526 -10.078  -7.328  1.00  0.00           H   new
ATOM      0  HE2 PHE A  59      -0.622  -8.447  -7.847  1.00  0.00           H   new
ATOM      0  HZ  PHE A  59      -2.969  -8.628  -8.568  1.00  0.00           H   new
ATOM    904  N   ASP A  60      -0.685 -11.570  -0.961  1.00  0.00           N
ATOM    905  CA  ASP A  60      -0.220 -12.438   0.114  1.00  0.00           C
ATOM    906  C   ASP A  60      -1.048 -12.283   1.396  1.00  0.00           C
ATOM    907  O   ASP A  60      -1.252 -13.256   2.121  1.00  0.00           O
ATOM    908  CB  ASP A  60       1.240 -12.117   0.393  1.00  0.00           C
ATOM    909  CG  ASP A  60       1.421 -10.655   0.728  1.00  0.00           C
ATOM    910  OD1 ASP A  60       0.722  -9.814   0.130  1.00  0.00           O
ATOM    911  OD2 ASP A  60       2.271 -10.320   1.568  1.00  0.00           O
ATOM      0  H   ASP A  60      -0.330 -10.615  -0.914  1.00  0.00           H   new
ATOM      0  HA  ASP A  60      -0.336 -13.473  -0.207  1.00  0.00           H   new
ATOM      0  HB2 ASP A  60       1.599 -12.730   1.220  1.00  0.00           H   new
ATOM      0  HB3 ASP A  60       1.844 -12.371  -0.478  1.00  0.00           H   new
ATOM    916  N   LYS A  61      -1.512 -11.070   1.685  1.00  0.00           N
ATOM    917  CA  LYS A  61      -2.297 -10.826   2.897  1.00  0.00           C
ATOM    918  C   LYS A  61      -1.410 -10.839   4.133  1.00  0.00           C
ATOM    919  O   LYS A  61      -1.561 -11.685   5.013  1.00  0.00           O
ATOM    920  CB  LYS A  61      -3.418 -11.856   3.042  1.00  0.00           C
ATOM    921  CG  LYS A  61      -4.765 -11.335   2.586  1.00  0.00           C
ATOM    922  CD  LYS A  61      -4.713 -10.847   1.151  1.00  0.00           C
ATOM    923  CE  LYS A  61      -4.220 -11.931   0.205  1.00  0.00           C
ATOM    924  NZ  LYS A  61      -4.315 -11.505  -1.216  1.00  0.00           N
ATOM      0  H   LYS A  61      -1.361 -10.246   1.104  1.00  0.00           H   new
ATOM      0  HA  LYS A  61      -2.747  -9.837   2.804  1.00  0.00           H   new
ATOM      0  HB2 LYS A  61      -3.164 -12.745   2.464  1.00  0.00           H   new
ATOM      0  HB3 LYS A  61      -3.488 -12.164   4.085  1.00  0.00           H   new
ATOM      0  HG2 LYS A  61      -5.512 -12.124   2.677  1.00  0.00           H   new
ATOM      0  HG3 LYS A  61      -5.081 -10.520   3.238  1.00  0.00           H   new
ATOM      0  HD2 LYS A  61      -5.705 -10.519   0.842  1.00  0.00           H   new
ATOM      0  HD3 LYS A  61      -4.056  -9.980   1.085  1.00  0.00           H   new
ATOM      0  HE2 LYS A  61      -3.185 -12.178   0.442  1.00  0.00           H   new
ATOM      0  HE3 LYS A  61      -4.807 -12.838   0.353  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  61      -3.939 -12.256  -1.829  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  61      -5.310 -11.326  -1.459  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  61      -3.762 -10.635  -1.355  1.00  0.00           H   new
ATOM    938  N   ASP A  62      -0.476  -9.900   4.189  1.00  0.00           N
ATOM    939  CA  ASP A  62       0.439  -9.818   5.320  1.00  0.00           C
ATOM    940  C   ASP A  62       0.300  -8.489   6.050  1.00  0.00           C
ATOM    941  O   ASP A  62       0.067  -8.448   7.256  1.00  0.00           O
ATOM    942  CB  ASP A  62       1.875  -9.984   4.837  1.00  0.00           C
ATOM    943  CG  ASP A  62       2.427  -8.702   4.250  1.00  0.00           C
ATOM    944  OD1 ASP A  62       1.839  -8.198   3.264  1.00  0.00           O
ATOM    945  OD2 ASP A  62       3.416  -8.169   4.793  1.00  0.00           O
ATOM      0  H   ASP A  62      -0.332  -9.190   3.471  1.00  0.00           H   new
ATOM      0  HA  ASP A  62       0.187 -10.619   6.015  1.00  0.00           H   new
ATOM      0  HB2 ASP A  62       2.503 -10.302   5.669  1.00  0.00           H   new
ATOM      0  HB3 ASP A  62       1.916 -10.774   4.087  1.00  0.00           H   new
ATOM    950  N   GLY A  63       0.460  -7.399   5.315  1.00  0.00           N
ATOM    951  CA  GLY A  63       0.358  -6.090   5.926  1.00  0.00           C
ATOM    952  C   GLY A  63       1.308  -5.087   5.314  1.00  0.00           C
ATOM    953  O   GLY A  63       1.113  -3.872   5.435  1.00  0.00           O
ATOM      0  H   GLY A  63       0.657  -7.396   4.314  1.00  0.00           H   new
ATOM      0  HA2 GLY A  63      -0.664  -5.725   5.825  1.00  0.00           H   new
ATOM      0  HA3 GLY A  63       0.563  -6.174   6.993  1.00  0.00           H   new
ATOM    957  N   ALA A  64       2.350  -5.589   4.664  1.00  0.00           N
ATOM    958  CA  ALA A  64       3.334  -4.718   4.045  1.00  0.00           C
ATOM    959  C   ALA A  64       3.476  -4.987   2.543  1.00  0.00           C
ATOM    960  O   ALA A  64       3.316  -6.117   2.072  1.00  0.00           O
ATOM    961  CB  ALA A  64       4.676  -4.871   4.746  1.00  0.00           C
ATOM      0  H   ALA A  64       2.533  -6.586   4.553  1.00  0.00           H   new
ATOM      0  HA  ALA A  64       2.986  -3.691   4.154  1.00  0.00           H   new
ATOM      0  HB1 ALA A  64       5.409  -4.215   4.276  1.00  0.00           H   new
ATOM      0  HB2 ALA A  64       4.570  -4.603   5.797  1.00  0.00           H   new
ATOM      0  HB3 ALA A  64       5.012  -5.905   4.667  1.00  0.00           H   new
ATOM    967  N   LEU A  65       3.776  -3.930   1.802  1.00  0.00           N
ATOM    968  CA  LEU A  65       3.954  -4.024   0.360  1.00  0.00           C
ATOM    969  C   LEU A  65       5.429  -4.018  -0.022  1.00  0.00           C
ATOM    970  O   LEU A  65       6.144  -3.046   0.215  1.00  0.00           O
ATOM    971  CB  LEU A  65       3.252  -2.860  -0.343  1.00  0.00           C
ATOM    972  CG  LEU A  65       1.887  -3.193  -0.940  1.00  0.00           C
ATOM    973  CD1 LEU A  65       1.025  -3.900   0.080  1.00  0.00           C
ATOM    974  CD2 LEU A  65       1.200  -1.931  -1.433  1.00  0.00           C
ATOM      0  H   LEU A  65       3.902  -2.991   2.179  1.00  0.00           H   new
ATOM      0  HA  LEU A  65       3.513  -4.968   0.041  1.00  0.00           H   new
ATOM      0  HB2 LEU A  65       3.130  -2.045   0.371  1.00  0.00           H   new
ATOM      0  HB3 LEU A  65       3.900  -2.493  -1.139  1.00  0.00           H   new
ATOM      0  HG  LEU A  65       2.034  -3.859  -1.790  1.00  0.00           H   new
ATOM      0 HD11 LEU A  65       0.055  -4.131  -0.361  1.00  0.00           H   new
ATOM      0 HD12 LEU A  65       1.512  -4.825   0.390  1.00  0.00           H   new
ATOM      0 HD13 LEU A  65       0.885  -3.255   0.948  1.00  0.00           H   new
ATOM      0 HD21 LEU A  65       0.228  -2.187  -1.855  1.00  0.00           H   new
ATOM      0 HD22 LEU A  65       1.063  -1.242  -0.600  1.00  0.00           H   new
ATOM      0 HD23 LEU A  65       1.815  -1.457  -2.198  1.00  0.00           H   new
ATOM    986  N   THR A  66       5.864  -5.091  -0.648  1.00  0.00           N
ATOM    987  CA  THR A  66       7.235  -5.211  -1.108  1.00  0.00           C
ATOM    988  C   THR A  66       7.447  -4.345  -2.345  1.00  0.00           C
ATOM    989  O   THR A  66       6.493  -4.039  -3.056  1.00  0.00           O
ATOM    990  CB  THR A  66       7.570  -6.666  -1.461  1.00  0.00           C
ATOM    991  OG1 THR A  66       8.867  -6.736  -2.058  1.00  0.00           O
ATOM    992  CG2 THR A  66       6.531  -7.236  -2.413  1.00  0.00           C
ATOM      0  H   THR A  66       5.281  -5.903  -0.853  1.00  0.00           H   new
ATOM      0  HA  THR A  66       7.889  -4.880  -0.302  1.00  0.00           H   new
ATOM      0  HB  THR A  66       7.564  -7.256  -0.545  1.00  0.00           H   new
ATOM      0  HG1 THR A  66       9.075  -7.668  -2.279  1.00  0.00           H   new
ATOM      0 HG21 THR A  66       6.785  -8.269  -2.653  1.00  0.00           H   new
ATOM      0 HG22 THR A  66       5.549  -7.204  -1.941  1.00  0.00           H   new
ATOM      0 HG23 THR A  66       6.513  -6.645  -3.329  1.00  0.00           H   new
ATOM   1000  N   LEU A  67       8.682  -3.951  -2.618  1.00  0.00           N
ATOM   1001  CA  LEU A  67       8.954  -3.121  -3.788  1.00  0.00           C
ATOM   1002  C   LEU A  67       8.129  -3.611  -4.984  1.00  0.00           C
ATOM   1003  O   LEU A  67       7.605  -2.812  -5.764  1.00  0.00           O
ATOM   1004  CB  LEU A  67      10.443  -3.145  -4.122  1.00  0.00           C
ATOM   1005  CG  LEU A  67      11.083  -1.771  -4.337  1.00  0.00           C
ATOM   1006  CD1 LEU A  67      12.576  -1.906  -4.580  1.00  0.00           C
ATOM   1007  CD2 LEU A  67      10.430  -1.051  -5.505  1.00  0.00           C
ATOM      0  H   LEU A  67       9.501  -4.186  -2.058  1.00  0.00           H   new
ATOM      0  HA  LEU A  67       8.668  -2.093  -3.563  1.00  0.00           H   new
ATOM      0  HB2 LEU A  67      10.972  -3.653  -3.316  1.00  0.00           H   new
ATOM      0  HB3 LEU A  67      10.588  -3.741  -5.023  1.00  0.00           H   new
ATOM      0  HG  LEU A  67      10.928  -1.183  -3.433  1.00  0.00           H   new
ATOM      0 HD11 LEU A  67      13.011  -0.918  -4.730  1.00  0.00           H   new
ATOM      0 HD12 LEU A  67      13.044  -2.381  -3.717  1.00  0.00           H   new
ATOM      0 HD13 LEU A  67      12.747  -2.516  -5.467  1.00  0.00           H   new
ATOM      0 HD21 LEU A  67      10.900  -0.077  -5.640  1.00  0.00           H   new
ATOM      0 HD22 LEU A  67      10.554  -1.643  -6.412  1.00  0.00           H   new
ATOM      0 HD23 LEU A  67       9.368  -0.916  -5.301  1.00  0.00           H   new
ATOM   1019  N   ASP A  68       7.973  -4.932  -5.098  1.00  0.00           N
ATOM   1020  CA  ASP A  68       7.175  -5.518  -6.171  1.00  0.00           C
ATOM   1021  C   ASP A  68       5.717  -5.086  -6.037  1.00  0.00           C
ATOM   1022  O   ASP A  68       5.140  -4.490  -6.950  1.00  0.00           O
ATOM   1023  CB  ASP A  68       7.255  -7.042  -6.112  1.00  0.00           C
ATOM   1024  CG  ASP A  68       7.777  -7.659  -7.392  1.00  0.00           C
ATOM   1025  OD1 ASP A  68       8.258  -6.903  -8.262  1.00  0.00           O
ATOM   1026  OD2 ASP A  68       7.707  -8.903  -7.520  1.00  0.00           O
ATOM      0  H   ASP A  68       8.388  -5.612  -4.461  1.00  0.00           H   new
ATOM      0  HA  ASP A  68       7.570  -5.170  -7.126  1.00  0.00           H   new
ATOM      0  HB2 ASP A  68       7.902  -7.334  -5.285  1.00  0.00           H   new
ATOM      0  HB3 ASP A  68       6.264  -7.444  -5.900  1.00  0.00           H   new
ATOM   1031  N   GLU A  69       5.142  -5.353  -4.866  1.00  0.00           N
ATOM   1032  CA  GLU A  69       3.772  -4.960  -4.582  1.00  0.00           C
ATOM   1033  C   GLU A  69       3.633  -3.467  -4.854  1.00  0.00           C
ATOM   1034  O   GLU A  69       2.644  -2.999  -5.421  1.00  0.00           O
ATOM   1035  CB  GLU A  69       3.416  -5.281  -3.123  1.00  0.00           C
ATOM   1036  CG  GLU A  69       3.275  -6.773  -2.835  1.00  0.00           C
ATOM   1037  CD  GLU A  69       3.126  -7.079  -1.345  1.00  0.00           C
ATOM   1038  OE1 GLU A  69       4.104  -6.888  -0.606  1.00  0.00           O
ATOM   1039  OE2 GLU A  69       2.038  -7.511  -0.903  1.00  0.00           O
ATOM      0  H   GLU A  69       5.608  -5.841  -4.101  1.00  0.00           H   new
ATOM      0  HA  GLU A  69       3.085  -5.515  -5.221  1.00  0.00           H   new
ATOM      0  HB2 GLU A  69       4.186  -4.866  -2.472  1.00  0.00           H   new
ATOM      0  HB3 GLU A  69       2.481  -4.782  -2.869  1.00  0.00           H   new
ATOM      0  HG2 GLU A  69       2.407  -7.161  -3.369  1.00  0.00           H   new
ATOM      0  HG3 GLU A  69       4.148  -7.297  -3.223  1.00  0.00           H   new
ATOM   1046  N   PHE A  70       4.668  -2.733  -4.473  1.00  0.00           N
ATOM   1047  CA  PHE A  70       4.724  -1.298  -4.686  1.00  0.00           C
ATOM   1048  C   PHE A  70       4.591  -0.983  -6.173  1.00  0.00           C
ATOM   1049  O   PHE A  70       3.720  -0.219  -6.590  1.00  0.00           O
ATOM   1050  CB  PHE A  70       6.053  -0.761  -4.145  1.00  0.00           C
ATOM   1051  CG  PHE A  70       6.407   0.606  -4.639  1.00  0.00           C
ATOM   1052  CD1 PHE A  70       5.420   1.524  -4.948  1.00  0.00           C
ATOM   1053  CD2 PHE A  70       7.734   0.968  -4.802  1.00  0.00           C
ATOM   1054  CE1 PHE A  70       5.748   2.782  -5.409  1.00  0.00           C
ATOM   1055  CE2 PHE A  70       8.069   2.224  -5.262  1.00  0.00           C
ATOM   1056  CZ  PHE A  70       7.075   3.132  -5.567  1.00  0.00           C
ATOM      0  H   PHE A  70       5.491  -3.117  -4.008  1.00  0.00           H   new
ATOM      0  HA  PHE A  70       3.900  -0.818  -4.158  1.00  0.00           H   new
ATOM      0  HB2 PHE A  70       6.008  -0.742  -3.056  1.00  0.00           H   new
ATOM      0  HB3 PHE A  70       6.850  -1.452  -4.419  1.00  0.00           H   new
ATOM      0  HD1 PHE A  70       4.382   1.253  -4.827  1.00  0.00           H   new
ATOM      0  HD2 PHE A  70       8.514   0.259  -4.566  1.00  0.00           H   new
ATOM      0  HE1 PHE A  70       4.969   3.492  -5.646  1.00  0.00           H   new
ATOM      0  HE2 PHE A  70       9.107   2.497  -5.383  1.00  0.00           H   new
ATOM      0  HZ  PHE A  70       7.335   4.116  -5.929  1.00  0.00           H   new
ATOM   1066  N   CYS A  71       5.448  -1.592  -6.973  1.00  0.00           N
ATOM   1067  CA  CYS A  71       5.409  -1.386  -8.413  1.00  0.00           C
ATOM   1068  C   CYS A  71       3.995  -1.597  -8.942  1.00  0.00           C
ATOM   1069  O   CYS A  71       3.424  -0.723  -9.600  1.00  0.00           O
ATOM   1070  CB  CYS A  71       6.371  -2.341  -9.122  1.00  0.00           C
ATOM   1071  SG  CYS A  71       7.661  -1.509 -10.085  1.00  0.00           S
ATOM      0  H   CYS A  71       6.177  -2.230  -6.654  1.00  0.00           H   new
ATOM      0  HA  CYS A  71       5.717  -0.360  -8.616  1.00  0.00           H   new
ATOM      0  HB2 CYS A  71       6.844  -2.982  -8.378  1.00  0.00           H   new
ATOM      0  HB3 CYS A  71       5.799  -2.990  -9.785  1.00  0.00           H   new
ATOM      0  HG  CYS A  71       7.897  -0.337  -9.574  1.00  0.00           H   new
ATOM   1077  N   ALA A  72       3.426  -2.754  -8.646  1.00  0.00           N
ATOM   1078  CA  ALA A  72       2.079  -3.064  -9.097  1.00  0.00           C
ATOM   1079  C   ALA A  72       1.085  -2.025  -8.588  1.00  0.00           C
ATOM   1080  O   ALA A  72       0.285  -1.491  -9.350  1.00  0.00           O
ATOM   1081  CB  ALA A  72       1.678  -4.458  -8.645  1.00  0.00           C
ATOM      0  H   ALA A  72       3.872  -3.490  -8.099  1.00  0.00           H   new
ATOM      0  HA  ALA A  72       2.066  -3.037 -10.187  1.00  0.00           H   new
ATOM      0  HB1 ALA A  72       0.667  -4.676  -8.990  1.00  0.00           H   new
ATOM      0  HB2 ALA A  72       2.370  -5.189  -9.063  1.00  0.00           H   new
ATOM      0  HB3 ALA A  72       1.709  -4.511  -7.557  1.00  0.00           H   new
ATOM   1087  N   ALA A  73       1.152  -1.731  -7.299  1.00  0.00           N
ATOM   1088  CA  ALA A  73       0.260  -0.750  -6.699  1.00  0.00           C
ATOM   1089  C   ALA A  73       0.383   0.608  -7.389  1.00  0.00           C
ATOM   1090  O   ALA A  73      -0.603   1.178  -7.842  1.00  0.00           O
ATOM   1091  CB  ALA A  73       0.557  -0.614  -5.216  1.00  0.00           C
ATOM      0  H   ALA A  73       1.813  -2.156  -6.649  1.00  0.00           H   new
ATOM      0  HA  ALA A  73      -0.764  -1.100  -6.829  1.00  0.00           H   new
ATOM      0  HB1 ALA A  73      -0.116   0.122  -4.776  1.00  0.00           H   new
ATOM      0  HB2 ALA A  73       0.411  -1.577  -4.726  1.00  0.00           H   new
ATOM      0  HB3 ALA A  73       1.589  -0.290  -5.080  1.00  0.00           H   new
ATOM   1097  N   PHE A  74       1.598   1.125  -7.463  1.00  0.00           N
ATOM   1098  CA  PHE A  74       1.830   2.419  -8.091  1.00  0.00           C
ATOM   1099  C   PHE A  74       1.302   2.445  -9.523  1.00  0.00           C
ATOM   1100  O   PHE A  74       0.483   3.293  -9.883  1.00  0.00           O
ATOM   1101  CB  PHE A  74       3.325   2.737  -8.102  1.00  0.00           C
ATOM   1102  CG  PHE A  74       3.632   4.111  -8.615  1.00  0.00           C
ATOM   1103  CD1 PHE A  74       3.448   5.219  -7.807  1.00  0.00           C
ATOM   1104  CD2 PHE A  74       4.111   4.294  -9.901  1.00  0.00           C
ATOM   1105  CE1 PHE A  74       3.733   6.487  -8.272  1.00  0.00           C
ATOM   1106  CE2 PHE A  74       4.398   5.560 -10.374  1.00  0.00           C
ATOM   1107  CZ  PHE A  74       4.207   6.659  -9.559  1.00  0.00           C
ATOM      0  H   PHE A  74       2.437   0.673  -7.099  1.00  0.00           H   new
ATOM      0  HA  PHE A  74       1.295   3.169  -7.509  1.00  0.00           H   new
ATOM      0  HB2 PHE A  74       3.719   2.637  -7.090  1.00  0.00           H   new
ATOM      0  HB3 PHE A  74       3.842   2.002  -8.719  1.00  0.00           H   new
ATOM      0  HD1 PHE A  74       3.077   5.090  -6.801  1.00  0.00           H   new
ATOM      0  HD2 PHE A  74       4.262   3.438 -10.542  1.00  0.00           H   new
ATOM      0  HE1 PHE A  74       3.586   7.344  -7.631  1.00  0.00           H   new
ATOM      0  HE2 PHE A  74       4.771   5.690 -11.379  1.00  0.00           H   new
ATOM      0  HZ  PHE A  74       4.428   7.650  -9.927  1.00  0.00           H   new
ATOM   1117  N   HIS A  75       1.765   1.509 -10.345  1.00  0.00           N
ATOM   1118  CA  HIS A  75       1.330   1.445 -11.733  1.00  0.00           C
ATOM   1119  C   HIS A  75      -0.182   1.298 -11.810  1.00  0.00           C
ATOM   1120  O   HIS A  75      -0.872   2.079 -12.472  1.00  0.00           O
ATOM   1121  CB  HIS A  75       2.001   0.266 -12.422  1.00  0.00           C
ATOM   1122  CG  HIS A  75       2.550   0.596 -13.775  1.00  0.00           C
ATOM   1123  ND1 HIS A  75       1.770   0.893 -14.870  1.00  0.00           N
ATOM   1124  CD2 HIS A  75       3.836   0.682 -14.198  1.00  0.00           C
ATOM   1125  CE1 HIS A  75       2.588   1.142 -15.900  1.00  0.00           C
ATOM   1126  NE2 HIS A  75       3.852   1.029 -15.544  1.00  0.00           N
ATOM      0  H   HIS A  75       2.436   0.790 -10.076  1.00  0.00           H   new
ATOM      0  HA  HIS A  75       1.614   2.370 -12.236  1.00  0.00           H   new
ATOM      0  HB2 HIS A  75       2.810  -0.101 -11.790  1.00  0.00           H   new
ATOM      0  HB3 HIS A  75       1.280  -0.546 -12.520  1.00  0.00           H   new
ATOM      0  HD1 HIS A  75       0.751   0.919 -14.892  1.00  0.00           H   new
ATOM      0  HD2 HIS A  75       4.709   0.508 -13.586  1.00  0.00           H   new
ATOM      0  HE1 HIS A  75       2.255   1.402 -16.894  1.00  0.00           H   new
ATOM   1134  N   LEU A  76      -0.692   0.294 -11.120  1.00  0.00           N
ATOM   1135  CA  LEU A  76      -2.117   0.035 -11.088  1.00  0.00           C
ATOM   1136  C   LEU A  76      -2.889   1.282 -10.651  1.00  0.00           C
ATOM   1137  O   LEU A  76      -3.834   1.716 -11.316  1.00  0.00           O
ATOM   1138  CB  LEU A  76      -2.373  -1.106 -10.112  1.00  0.00           C
ATOM   1139  CG  LEU A  76      -3.435  -2.101 -10.540  1.00  0.00           C
ATOM   1140  CD1 LEU A  76      -4.792  -1.424 -10.638  1.00  0.00           C
ATOM   1141  CD2 LEU A  76      -3.051  -2.748 -11.862  1.00  0.00           C
ATOM      0  H   LEU A  76      -0.134  -0.359 -10.571  1.00  0.00           H   new
ATOM      0  HA  LEU A  76      -2.461  -0.235 -12.087  1.00  0.00           H   new
ATOM      0  HB2 LEU A  76      -1.438  -1.643  -9.954  1.00  0.00           H   new
ATOM      0  HB3 LEU A  76      -2.663  -0.682  -9.151  1.00  0.00           H   new
ATOM      0  HG  LEU A  76      -3.504  -2.884  -9.785  1.00  0.00           H   new
ATOM      0 HD11 LEU A  76      -5.541  -2.153 -10.946  1.00  0.00           H   new
ATOM      0 HD12 LEU A  76      -5.064  -1.013  -9.666  1.00  0.00           H   new
ATOM      0 HD13 LEU A  76      -4.745  -0.620 -11.372  1.00  0.00           H   new
ATOM      0 HD21 LEU A  76      -3.822  -3.460 -12.156  1.00  0.00           H   new
ATOM      0 HD22 LEU A  76      -2.955  -1.979 -12.629  1.00  0.00           H   new
ATOM      0 HD23 LEU A  76      -2.100  -3.269 -11.749  1.00  0.00           H   new
ATOM   1153  N   VAL A  77      -2.469   1.865  -9.532  1.00  0.00           N
ATOM   1154  CA  VAL A  77      -3.114   3.066  -9.015  1.00  0.00           C
ATOM   1155  C   VAL A  77      -3.195   4.130 -10.092  1.00  0.00           C
ATOM   1156  O   VAL A  77      -4.241   4.746 -10.305  1.00  0.00           O
ATOM   1157  CB  VAL A  77      -2.377   3.633  -7.785  1.00  0.00           C
ATOM   1158  CG1 VAL A  77      -2.931   4.998  -7.412  1.00  0.00           C
ATOM   1159  CG2 VAL A  77      -2.493   2.677  -6.608  1.00  0.00           C
ATOM      0  H   VAL A  77      -1.689   1.527  -8.969  1.00  0.00           H   new
ATOM      0  HA  VAL A  77      -4.119   2.781  -8.705  1.00  0.00           H   new
ATOM      0  HB  VAL A  77      -1.323   3.746  -8.039  1.00  0.00           H   new
ATOM      0 HG11 VAL A  77      -2.398   5.382  -6.542  1.00  0.00           H   new
ATOM      0 HG12 VAL A  77      -2.801   5.684  -8.249  1.00  0.00           H   new
ATOM      0 HG13 VAL A  77      -3.992   4.908  -7.178  1.00  0.00           H   new
ATOM      0 HG21 VAL A  77      -1.967   3.093  -5.748  1.00  0.00           H   new
ATOM      0 HG22 VAL A  77      -3.544   2.535  -6.357  1.00  0.00           H   new
ATOM      0 HG23 VAL A  77      -2.051   1.717  -6.874  1.00  0.00           H   new
ATOM   1169  N   VAL A  78      -2.092   4.329 -10.791  1.00  0.00           N
ATOM   1170  CA  VAL A  78      -2.049   5.299 -11.868  1.00  0.00           C
ATOM   1171  C   VAL A  78      -3.151   5.017 -12.886  1.00  0.00           C
ATOM   1172  O   VAL A  78      -3.963   5.886 -13.199  1.00  0.00           O
ATOM   1173  CB  VAL A  78      -0.688   5.261 -12.578  1.00  0.00           C
ATOM   1174  CG1 VAL A  78      -0.701   6.157 -13.804  1.00  0.00           C
ATOM   1175  CG2 VAL A  78       0.423   5.669 -11.626  1.00  0.00           C
ATOM      0  H   VAL A  78      -1.216   3.832 -10.632  1.00  0.00           H   new
ATOM      0  HA  VAL A  78      -2.201   6.287 -11.433  1.00  0.00           H   new
ATOM      0  HB  VAL A  78      -0.499   4.238 -12.904  1.00  0.00           H   new
ATOM      0 HG11 VAL A  78       0.272   6.117 -14.294  1.00  0.00           H   new
ATOM      0 HG12 VAL A  78      -1.470   5.815 -14.496  1.00  0.00           H   new
ATOM      0 HG13 VAL A  78      -0.914   7.183 -13.503  1.00  0.00           H   new
ATOM      0 HG21 VAL A  78       1.380   5.636 -12.148  1.00  0.00           H   new
ATOM      0 HG22 VAL A  78       0.241   6.682 -11.267  1.00  0.00           H   new
ATOM      0 HG23 VAL A  78       0.447   4.983 -10.780  1.00  0.00           H   new
ATOM   1185  N   ALA A  79      -3.178   3.794 -13.389  1.00  0.00           N
ATOM   1186  CA  ALA A  79      -4.181   3.394 -14.370  1.00  0.00           C
ATOM   1187  C   ALA A  79      -5.600   3.771 -13.926  1.00  0.00           C
ATOM   1188  O   ALA A  79      -6.379   4.316 -14.709  1.00  0.00           O
ATOM   1189  CB  ALA A  79      -4.096   1.900 -14.626  1.00  0.00           C
ATOM      0  H   ALA A  79      -2.518   3.059 -13.136  1.00  0.00           H   new
ATOM      0  HA  ALA A  79      -3.970   3.934 -15.293  1.00  0.00           H   new
ATOM      0  HB1 ALA A  79      -4.849   1.613 -15.360  1.00  0.00           H   new
ATOM      0  HB2 ALA A  79      -3.105   1.652 -15.007  1.00  0.00           H   new
ATOM      0  HB3 ALA A  79      -4.272   1.361 -13.695  1.00  0.00           H   new
ATOM   1195  N   ARG A  80      -5.931   3.482 -12.672  1.00  0.00           N
ATOM   1196  CA  ARG A  80      -7.256   3.783 -12.130  1.00  0.00           C
ATOM   1197  C   ARG A  80      -7.710   5.180 -12.537  1.00  0.00           C
ATOM   1198  O   ARG A  80      -8.906   5.448 -12.671  1.00  0.00           O
ATOM   1199  CB  ARG A  80      -7.221   3.668 -10.610  1.00  0.00           C
ATOM   1200  CG  ARG A  80      -8.381   2.879 -10.017  1.00  0.00           C
ATOM   1201  CD  ARG A  80      -9.523   3.775  -9.552  1.00  0.00           C
ATOM   1202  NE  ARG A  80     -10.362   4.256 -10.646  1.00  0.00           N
ATOM   1203  CZ  ARG A  80     -11.581   4.703 -10.478  1.00  0.00           C
ATOM   1204  NH1 ARG A  80     -12.213   4.478  -9.353  1.00  0.00           N
ATOM   1205  NH2 ARG A  80     -12.189   5.326 -11.452  1.00  0.00           N
ATOM      0  H   ARG A  80      -5.298   3.037 -12.007  1.00  0.00           H   new
ATOM      0  HA  ARG A  80      -7.969   3.065 -12.536  1.00  0.00           H   new
ATOM      0  HB2 ARG A  80      -6.285   3.194 -10.314  1.00  0.00           H   new
ATOM      0  HB3 ARG A  80      -7.221   4.670 -10.181  1.00  0.00           H   new
ATOM      0  HG2 ARG A  80      -8.756   2.176 -10.761  1.00  0.00           H   new
ATOM      0  HG3 ARG A  80      -8.021   2.289  -9.174  1.00  0.00           H   new
ATOM      0  HD2 ARG A  80     -10.142   3.225  -8.844  1.00  0.00           H   new
ATOM      0  HD3 ARG A  80      -9.110   4.630  -9.017  1.00  0.00           H   new
ATOM      0  HE  ARG A  80      -9.978   4.243 -11.591  1.00  0.00           H   new
ATOM      0 HH11 ARG A  80     -11.755   3.954  -8.607  1.00  0.00           H   new
ATOM      0 HH12 ARG A  80     -13.163   4.827  -9.223  1.00  0.00           H   new
ATOM      0 HH21 ARG A  80     -11.714   5.464 -12.344  1.00  0.00           H   new
ATOM      0 HH22 ARG A  80     -13.139   5.674 -11.321  1.00  0.00           H   new
ATOM   1219  N   LYS A  81      -6.751   6.065 -12.738  1.00  0.00           N
ATOM   1220  CA  LYS A  81      -7.054   7.427 -13.141  1.00  0.00           C
ATOM   1221  C   LYS A  81      -7.875   7.443 -14.433  1.00  0.00           C
ATOM   1222  O   LYS A  81      -8.878   8.144 -14.535  1.00  0.00           O
ATOM   1223  CB  LYS A  81      -5.759   8.215 -13.338  1.00  0.00           C
ATOM   1224  CG  LYS A  81      -5.528   9.295 -12.297  1.00  0.00           C
ATOM   1225  CD  LYS A  81      -4.281  10.107 -12.617  1.00  0.00           C
ATOM   1226  CE  LYS A  81      -3.017   9.278 -12.475  1.00  0.00           C
ATOM   1227  NZ  LYS A  81      -2.805   8.851 -11.068  1.00  0.00           N
ATOM      0  H   LYS A  81      -5.757   5.866 -12.629  1.00  0.00           H   new
ATOM      0  HA  LYS A  81      -7.643   7.894 -12.352  1.00  0.00           H   new
ATOM      0  HB2 LYS A  81      -4.918   7.522 -13.320  1.00  0.00           H   new
ATOM      0  HB3 LYS A  81      -5.772   8.675 -14.326  1.00  0.00           H   new
ATOM      0  HG2 LYS A  81      -6.394   9.955 -12.255  1.00  0.00           H   new
ATOM      0  HG3 LYS A  81      -5.426   8.839 -11.312  1.00  0.00           H   new
ATOM      0  HD2 LYS A  81      -4.350  10.494 -13.634  1.00  0.00           H   new
ATOM      0  HD3 LYS A  81      -4.227  10.969 -11.951  1.00  0.00           H   new
ATOM      0  HE2 LYS A  81      -3.082   8.400 -13.118  1.00  0.00           H   new
ATOM      0  HE3 LYS A  81      -2.159   9.859 -12.814  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  81      -1.823   8.530 -10.947  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  81      -2.988   9.652 -10.431  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  81      -3.455   8.072 -10.840  1.00  0.00           H   new