USER  MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=21
USER  MOD reduce.3.24.130724 removed 406 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   6 CYS SG  :   rot -134:sc=   0.179
USER  MOD Set 1.2: A   9 CYS SG  :   rot  151:sc=   0.697
USER  MOD Set 1.3: A  24 HIS     :     no HE2:sc= -0.0977  K(o=0.79,f=-1.4)
USER  MOD Set 1.4: A  30 HIS     :     no HD1:sc= 0.00785  X(o=0.79,f=0.45)
USER  MOD Single : A   3 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   8 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  11 THR OG1 :   rot  180:sc=-0.00578
USER  MOD Single : A  12 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  15 HIS     :FLIP no HD1:sc=   -1.82  F(o=-2.6!,f=-1.8)
USER  MOD Single : A  17 SER OG  :   rot  180:sc=-0.00802
USER  MOD Single : A  19 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  23 THR OG1 :   rot   72:sc=    1.28
USER  MOD Single : A  25 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  26 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  33 ASN     :      amide:sc=   -0.75  K(o=-0.75,f=-2.3!)
USER  MOD Single : A  35 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  37 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  38 TYR OH  :   rot  180:sc=  -0.848
USER  MOD Single : A  39 GLN     :      amide:sc=  -0.333  X(o=-0.33,f=-0.29)
USER  MOD Single : A  40 LYS NZ  :NH3+    163:sc=       0   (180deg=-0.169)
USER  MOD Single : A  42 MET CE  :methyl -157:sc=   -6.16!  (180deg=-9.26!)
USER  MOD Single : A  45 GLN     :      amide:sc=  -0.115  X(o=-0.12,f=-0.12)
USER  MOD Single : A  47 GLN     :      amide:sc=       0  X(o=0,f=-0.012)
USER  MOD Single : A  48 SER OG  :   rot  180:sc=  0.0473
USER  MOD Single : A  52 LYS NZ  :NH3+   -151:sc=   0.996   (180deg=-0.396)
USER  MOD Single : A  53 THR OG1 :   rot  108:sc=    1.29
USER  MOD -----------------------------------------------------------------
ATOM     34  N   LYS A   3      -5.899  10.555 -11.902  1.00  0.00           N
ATOM     35  CA  LYS A   3      -6.373   9.652 -10.810  1.00  0.00           C
ATOM     36  C   LYS A   3      -5.201   8.813 -10.271  1.00  0.00           C
ATOM     37  O   LYS A   3      -4.265   8.521 -10.991  1.00  0.00           O
ATOM     38  CB  LYS A   3      -7.421   8.752 -11.465  1.00  0.00           C
ATOM     39  CG  LYS A   3      -8.577   9.608 -11.988  1.00  0.00           C
ATOM     40  CD  LYS A   3      -9.862   8.778 -12.007  1.00  0.00           C
ATOM     41  CE  LYS A   3     -11.044   9.673 -12.387  1.00  0.00           C
ATOM     42  NZ  LYS A   3     -11.089   9.639 -13.875  1.00  0.00           N
ATOM      0  HA  LYS A   3      -6.784  10.205  -9.965  1.00  0.00           H   new
ATOM      0  HB2 LYS A   3      -6.972   8.190 -12.284  1.00  0.00           H   new
ATOM      0  HB3 LYS A   3      -7.792   8.024 -10.744  1.00  0.00           H   new
ATOM      0  HG2 LYS A   3      -8.708  10.486 -11.355  1.00  0.00           H   new
ATOM      0  HG3 LYS A   3      -8.351   9.969 -12.991  1.00  0.00           H   new
ATOM      0  HD2 LYS A   3      -9.768   7.960 -12.721  1.00  0.00           H   new
ATOM      0  HD3 LYS A   3     -10.032   8.329 -11.028  1.00  0.00           H   new
ATOM      0  HE2 LYS A   3     -11.974   9.303 -11.955  1.00  0.00           H   new
ATOM      0  HE3 LYS A   3     -10.904  10.689 -12.019  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   3     -11.875  10.230 -14.212  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   3     -10.193  10.003 -14.258  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   3     -11.230   8.660 -14.196  1.00  0.00           H   new
ATOM     56  N   PHE A   4      -5.243   8.422  -9.012  1.00  0.00           N
ATOM     57  CA  PHE A   4      -4.125   7.604  -8.445  1.00  0.00           C
ATOM     58  C   PHE A   4      -4.600   6.162  -8.191  1.00  0.00           C
ATOM     59  O   PHE A   4      -5.787   5.899  -8.136  1.00  0.00           O
ATOM     60  CB  PHE A   4      -3.745   8.299  -7.131  1.00  0.00           C
ATOM     61  CG  PHE A   4      -2.618   7.547  -6.460  1.00  0.00           C
ATOM     62  CD1 PHE A   4      -1.304   7.695  -6.919  1.00  0.00           C
ATOM     63  CD2 PHE A   4      -2.889   6.703  -5.378  1.00  0.00           C
ATOM     64  CE1 PHE A   4      -0.262   6.997  -6.297  1.00  0.00           C
ATOM     65  CE2 PHE A   4      -1.850   6.004  -4.756  1.00  0.00           C
ATOM     66  CZ  PHE A   4      -0.535   6.150  -5.215  1.00  0.00           C
ATOM      0  H   PHE A   4      -5.999   8.635  -8.361  1.00  0.00           H   new
ATOM      0  HA  PHE A   4      -3.274   7.538  -9.122  1.00  0.00           H   new
ATOM      0  HB2 PHE A   4      -3.442   9.327  -7.328  1.00  0.00           H   new
ATOM      0  HB3 PHE A   4      -4.610   8.343  -6.469  1.00  0.00           H   new
ATOM      0  HD1 PHE A   4      -1.094   8.348  -7.753  1.00  0.00           H   new
ATOM      0  HD2 PHE A   4      -3.903   6.591  -5.022  1.00  0.00           H   new
ATOM      0  HE1 PHE A   4       0.752   7.111  -6.651  1.00  0.00           H   new
ATOM      0  HE2 PHE A   4      -2.062   5.352  -3.922  1.00  0.00           H   new
ATOM      0  HZ  PHE A   4       0.268   5.610  -4.735  1.00  0.00           H   new
ATOM     76  N   TYR A   5      -3.685   5.222  -8.044  1.00  0.00           N
ATOM     77  CA  TYR A   5      -4.094   3.804  -7.804  1.00  0.00           C
ATOM     78  C   TYR A   5      -3.221   3.177  -6.700  1.00  0.00           C
ATOM     79  O   TYR A   5      -2.015   3.333  -6.698  1.00  0.00           O
ATOM     80  CB  TYR A   5      -3.854   3.105  -9.149  1.00  0.00           C
ATOM     81  CG  TYR A   5      -4.176   1.632  -9.038  1.00  0.00           C
ATOM     82  CD1 TYR A   5      -5.419   1.221  -8.545  1.00  0.00           C
ATOM     83  CD2 TYR A   5      -3.228   0.677  -9.427  1.00  0.00           C
ATOM     84  CE1 TYR A   5      -5.717  -0.143  -8.442  1.00  0.00           C
ATOM     85  CE2 TYR A   5      -3.524  -0.686  -9.324  1.00  0.00           C
ATOM     86  CZ  TYR A   5      -4.769  -1.097  -8.831  1.00  0.00           C
ATOM     87  OH  TYR A   5      -5.061  -2.442  -8.729  1.00  0.00           O
ATOM      0  H   TYR A   5      -2.678   5.381  -8.081  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -5.128   3.715  -7.471  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -4.473   3.563  -9.920  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -2.816   3.236  -9.455  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -6.150   1.957  -8.243  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -2.268   0.993  -9.807  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -6.678  -0.459  -8.063  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -2.793  -1.422  -9.625  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -4.295  -2.968  -9.042  1.00  0.00           H   new
ATOM     97  N   CYS A   6      -3.818   2.462  -5.766  1.00  0.00           N
ATOM     98  CA  CYS A   6      -3.011   1.824  -4.681  1.00  0.00           C
ATOM     99  C   CYS A   6      -3.136   0.295  -4.763  1.00  0.00           C
ATOM    100  O   CYS A   6      -4.045  -0.282  -4.196  1.00  0.00           O
ATOM    101  CB  CYS A   6      -3.612   2.333  -3.367  1.00  0.00           C
ATOM    102  SG  CYS A   6      -2.577   1.789  -1.984  1.00  0.00           S
ATOM      0  H   CYS A   6      -4.823   2.297  -5.713  1.00  0.00           H   new
ATOM      0  HA  CYS A   6      -1.952   2.071  -4.763  1.00  0.00           H   new
ATOM      0  HB2 CYS A   6      -3.677   3.421  -3.381  1.00  0.00           H   new
ATOM      0  HB3 CYS A   6      -4.627   1.954  -3.247  1.00  0.00           H   new
ATOM      0  HG  CYS A   6      -3.332   1.320  -1.035  1.00  0.00           H   new
ATOM    107  N   ASP A   7      -2.233  -0.375  -5.460  1.00  0.00           N
ATOM    108  CA  ASP A   7      -2.325  -1.883  -5.557  1.00  0.00           C
ATOM    109  C   ASP A   7      -2.448  -2.506  -4.151  1.00  0.00           C
ATOM    110  O   ASP A   7      -3.153  -3.480  -3.965  1.00  0.00           O
ATOM    111  CB  ASP A   7      -1.035  -2.365  -6.243  1.00  0.00           C
ATOM    112  CG  ASP A   7       0.184  -1.901  -5.444  1.00  0.00           C
ATOM    113  OD1 ASP A   7       0.673  -2.678  -4.640  1.00  0.00           O
ATOM    114  OD2 ASP A   7       0.609  -0.775  -5.649  1.00  0.00           O
ATOM      0  H   ASP A   7      -1.449   0.047  -5.958  1.00  0.00           H   new
ATOM      0  HA  ASP A   7      -3.205  -2.183  -6.126  1.00  0.00           H   new
ATOM      0  HB2 ASP A   7      -1.038  -3.452  -6.320  1.00  0.00           H   new
ATOM      0  HB3 ASP A   7      -0.985  -1.974  -7.259  1.00  0.00           H   new
ATOM    119  N   TYR A   8      -1.787  -1.941  -3.156  1.00  0.00           N
ATOM    120  CA  TYR A   8      -1.904  -2.512  -1.766  1.00  0.00           C
ATOM    121  C   TYR A   8      -3.373  -2.473  -1.302  1.00  0.00           C
ATOM    122  O   TYR A   8      -3.814  -3.339  -0.569  1.00  0.00           O
ATOM    123  CB  TYR A   8      -1.044  -1.626  -0.848  1.00  0.00           C
ATOM    124  CG  TYR A   8       0.414  -1.785  -1.206  1.00  0.00           C
ATOM    125  CD1 TYR A   8       1.127  -2.896  -0.745  1.00  0.00           C
ATOM    126  CD2 TYR A   8       1.052  -0.824  -2.000  1.00  0.00           C
ATOM    127  CE1 TYR A   8       2.480  -3.047  -1.075  1.00  0.00           C
ATOM    128  CE2 TYR A   8       2.404  -0.974  -2.330  1.00  0.00           C
ATOM    129  CZ  TYR A   8       3.118  -2.086  -1.867  1.00  0.00           C
ATOM    130  OH  TYR A   8       4.450  -2.235  -2.194  1.00  0.00           O
ATOM      0  H   TYR A   8      -1.182  -1.124  -3.244  1.00  0.00           H   new
ATOM      0  HA  TYR A   8      -1.569  -3.549  -1.740  1.00  0.00           H   new
ATOM      0  HB2 TYR A   8      -1.342  -0.583  -0.951  1.00  0.00           H   new
ATOM      0  HB3 TYR A   8      -1.205  -1.902   0.194  1.00  0.00           H   new
ATOM      0  HD1 TYR A   8       0.634  -3.638  -0.134  1.00  0.00           H   new
ATOM      0  HD2 TYR A   8       0.501   0.033  -2.358  1.00  0.00           H   new
ATOM      0  HE1 TYR A   8       3.031  -3.905  -0.718  1.00  0.00           H   new
ATOM      0  HE2 TYR A   8       2.896  -0.232  -2.942  1.00  0.00           H   new
ATOM      0  HH  TYR A   8       4.737  -1.481  -2.750  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -4.137  -1.479  -1.719  1.00  0.00           N
ATOM    141  CA  CYS A   9      -5.576  -1.407  -1.290  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.529  -2.030  -2.333  1.00  0.00           C
ATOM    143  O   CYS A   9      -7.724  -2.087  -2.106  1.00  0.00           O
ATOM    144  CB  CYS A   9      -5.881   0.089  -1.135  1.00  0.00           C
ATOM    145  SG  CYS A   9      -5.254   0.670   0.457  1.00  0.00           S
ATOM      0  H   CYS A   9      -3.828  -0.724  -2.331  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -5.727  -1.968  -0.368  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -5.419   0.651  -1.947  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -6.955   0.261  -1.199  1.00  0.00           H   new
ATOM      0  HG  CYS A   9      -4.936   1.927   0.366  1.00  0.00           H   new
ATOM    150  N   ASP A  10      -6.041  -2.495  -3.477  1.00  0.00           N
ATOM    151  CA  ASP A  10      -6.958  -3.096  -4.503  1.00  0.00           C
ATOM    152  C   ASP A  10      -8.104  -2.121  -4.836  1.00  0.00           C
ATOM    153  O   ASP A  10      -9.237  -2.528  -5.007  1.00  0.00           O
ATOM    154  CB  ASP A  10      -7.507  -4.376  -3.864  1.00  0.00           C
ATOM    155  CG  ASP A  10      -7.846  -5.388  -4.960  1.00  0.00           C
ATOM    156  OD1 ASP A  10      -7.055  -6.293  -5.168  1.00  0.00           O
ATOM    157  OD2 ASP A  10      -8.892  -5.242  -5.571  1.00  0.00           O
ATOM      0  H   ASP A  10      -5.054  -2.481  -3.735  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      -6.438  -3.305  -5.438  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10      -6.771  -4.798  -3.179  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10      -8.396  -4.149  -3.276  1.00  0.00           H   new
ATOM    162  N   THR A  11      -7.814  -0.838  -4.931  1.00  0.00           N
ATOM    163  CA  THR A  11      -8.888   0.151  -5.253  1.00  0.00           C
ATOM    164  C   THR A  11      -8.318   1.293  -6.113  1.00  0.00           C
ATOM    165  O   THR A  11      -7.120   1.382  -6.310  1.00  0.00           O
ATOM    166  CB  THR A  11      -9.394   0.669  -3.896  1.00  0.00           C
ATOM    167  OG1 THR A  11     -10.507   1.524  -4.108  1.00  0.00           O
ATOM    168  CG2 THR A  11      -8.293   1.445  -3.162  1.00  0.00           C
ATOM      0  H   THR A  11      -6.884  -0.441  -4.799  1.00  0.00           H   new
ATOM      0  HA  THR A  11      -9.699  -0.295  -5.828  1.00  0.00           H   new
ATOM      0  HB  THR A  11      -9.685  -0.185  -3.284  1.00  0.00           H   new
ATOM      0  HG1 THR A  11     -10.834   1.855  -3.246  1.00  0.00           H   new
ATOM      0 HG21 THR A  11      -8.675   1.801  -2.205  1.00  0.00           H   new
ATOM      0 HG22 THR A  11      -7.439   0.790  -2.991  1.00  0.00           H   new
ATOM      0 HG23 THR A  11      -7.982   2.296  -3.768  1.00  0.00           H   new
ATOM    176  N   TYR A  12      -9.161   2.160  -6.631  1.00  0.00           N
ATOM    177  CA  TYR A  12      -8.653   3.278  -7.481  1.00  0.00           C
ATOM    178  C   TYR A  12      -8.993   4.637  -6.846  1.00  0.00           C
ATOM    179  O   TYR A  12     -10.073   4.821  -6.315  1.00  0.00           O
ATOM    180  CB  TYR A  12      -9.379   3.107  -8.813  1.00  0.00           C
ATOM    181  CG  TYR A  12      -8.602   3.792  -9.910  1.00  0.00           C
ATOM    182  CD1 TYR A  12      -9.033   5.025 -10.411  1.00  0.00           C
ATOM    183  CD2 TYR A  12      -7.453   3.189 -10.430  1.00  0.00           C
ATOM    184  CE1 TYR A  12      -8.313   5.656 -11.432  1.00  0.00           C
ATOM    185  CE2 TYR A  12      -6.731   3.818 -11.450  1.00  0.00           C
ATOM    186  CZ  TYR A  12      -7.161   5.053 -11.952  1.00  0.00           C
ATOM    187  OH  TYR A  12      -6.450   5.674 -12.958  1.00  0.00           O
ATOM      0  H   TYR A  12     -10.172   2.138  -6.500  1.00  0.00           H   new
ATOM      0  HA  TYR A  12      -7.569   3.254  -7.595  1.00  0.00           H   new
ATOM      0  HB2 TYR A  12      -9.493   2.047  -9.042  1.00  0.00           H   new
ATOM      0  HB3 TYR A  12     -10.382   3.528  -8.748  1.00  0.00           H   new
ATOM      0  HD1 TYR A  12      -9.921   5.490 -10.010  1.00  0.00           H   new
ATOM      0  HD2 TYR A  12      -7.122   2.236 -10.044  1.00  0.00           H   new
ATOM      0  HE1 TYR A  12      -8.646   6.608 -11.819  1.00  0.00           H   new
ATOM      0  HE2 TYR A  12      -5.843   3.352 -11.850  1.00  0.00           H   new
ATOM      0  HH  TYR A  12      -5.678   5.122 -13.202  1.00  0.00           H   new
ATOM    197  N   LEU A  13      -8.088   5.594  -6.903  1.00  0.00           N
ATOM    198  CA  LEU A  13      -8.384   6.939  -6.305  1.00  0.00           C
ATOM    199  C   LEU A  13      -8.876   7.895  -7.403  1.00  0.00           C
ATOM    200  O   LEU A  13      -8.767   7.597  -8.577  1.00  0.00           O
ATOM    201  CB  LEU A  13      -7.062   7.437  -5.701  1.00  0.00           C
ATOM    202  CG  LEU A  13      -6.810   6.728  -4.367  1.00  0.00           C
ATOM    203  CD1 LEU A  13      -6.067   5.414  -4.619  1.00  0.00           C
ATOM    204  CD2 LEU A  13      -5.959   7.626  -3.462  1.00  0.00           C
ATOM      0  H   LEU A  13      -7.168   5.502  -7.333  1.00  0.00           H   new
ATOM      0  HA  LEU A  13      -9.163   6.886  -5.545  1.00  0.00           H   new
ATOM      0  HB2 LEU A  13      -6.239   7.243  -6.389  1.00  0.00           H   new
ATOM      0  HB3 LEU A  13      -7.103   8.516  -5.550  1.00  0.00           H   new
ATOM      0  HG  LEU A  13      -7.764   6.521  -3.882  1.00  0.00           H   new
ATOM      0 HD11 LEU A  13      -5.888   4.910  -3.670  1.00  0.00           H   new
ATOM      0 HD12 LEU A  13      -6.670   4.773  -5.262  1.00  0.00           H   new
ATOM      0 HD13 LEU A  13      -5.114   5.622  -5.105  1.00  0.00           H   new
ATOM      0 HD21 LEU A  13      -5.780   7.121  -2.513  1.00  0.00           H   new
ATOM      0 HD22 LEU A  13      -5.006   7.833  -3.948  1.00  0.00           H   new
ATOM      0 HD23 LEU A  13      -6.485   8.563  -3.281  1.00  0.00           H   new
ATOM    216  N   THR A  14      -9.427   9.037  -7.037  1.00  0.00           N
ATOM    217  CA  THR A  14      -9.929   9.989  -8.087  1.00  0.00           C
ATOM    218  C   THR A  14      -8.929  11.134  -8.349  1.00  0.00           C
ATOM    219  O   THR A  14      -8.871  11.655  -9.448  1.00  0.00           O
ATOM    220  CB  THR A  14     -11.277  10.530  -7.567  1.00  0.00           C
ATOM    221  OG1 THR A  14     -11.884  11.318  -8.580  1.00  0.00           O
ATOM    222  CG2 THR A  14     -11.080  11.390  -6.310  1.00  0.00           C
ATOM      0  H   THR A  14      -9.549   9.346  -6.072  1.00  0.00           H   new
ATOM      0  HA  THR A  14     -10.049   9.481  -9.044  1.00  0.00           H   new
ATOM      0  HB  THR A  14     -11.913   9.683  -7.310  1.00  0.00           H   new
ATOM      0  HG1 THR A  14     -12.742  11.663  -8.256  1.00  0.00           H   new
ATOM      0 HG21 THR A  14     -12.047  11.758  -5.966  1.00  0.00           H   new
ATOM      0 HG22 THR A  14     -10.620  10.788  -5.526  1.00  0.00           H   new
ATOM      0 HG23 THR A  14     -10.433  12.235  -6.545  1.00  0.00           H   new
ATOM    230  N   HIS A  15      -8.146  11.541  -7.367  1.00  0.00           N
ATOM    231  CA  HIS A  15      -7.175  12.655  -7.603  1.00  0.00           C
ATOM    232  C   HIS A  15      -5.732  12.133  -7.523  1.00  0.00           C
ATOM    233  O   HIS A  15      -5.441  11.220  -6.774  1.00  0.00           O
ATOM    234  CB  HIS A  15      -7.440  13.669  -6.486  1.00  0.00           C
ATOM    235  CG  HIS A  15      -8.851  14.181  -6.591  1.00  0.00           C
ATOM    236  ND1 HIS A  15      -9.830  14.371  -5.646  1.00  0.00           N   flip
ATOM    237  CD2 HIS A  15      -9.409  14.572  -7.798  1.00  0.00           C   flip
ATOM    238  CE1 HIS A  15     -10.977  14.872  -6.254  1.00  0.00           C   flip
ATOM    239  NE2 HIS A  15     -10.670  14.973  -7.550  1.00  0.00           N   flip
ATOM      0  H   HIS A  15      -8.141  11.151  -6.425  1.00  0.00           H   new
ATOM      0  HA  HIS A  15      -7.298  13.099  -8.591  1.00  0.00           H   new
ATOM      0  HB2 HIS A  15      -7.283  13.202  -5.513  1.00  0.00           H   new
ATOM      0  HB3 HIS A  15      -6.736  14.498  -6.559  1.00  0.00           H   new
ATOM      0  HD2 HIS A  15      -8.921  14.558  -8.761  1.00  0.00           H   new
ATOM      0  HE1 HIS A  15     -11.914  15.125  -5.780  1.00  0.00           H   new
ATOM      0  HE2 HIS A  15     -11.313  15.313  -8.265  1.00  0.00           H   new
ATOM    247  N   ASP A  16      -4.824  12.706  -8.287  1.00  0.00           N
ATOM    248  CA  ASP A  16      -3.406  12.242  -8.246  1.00  0.00           C
ATOM    249  C   ASP A  16      -2.476  13.435  -7.980  1.00  0.00           C
ATOM    250  O   ASP A  16      -2.079  14.130  -8.897  1.00  0.00           O
ATOM    251  CB  ASP A  16      -3.149  11.652  -9.634  1.00  0.00           C
ATOM    252  CG  ASP A  16      -1.710  11.133  -9.717  1.00  0.00           C
ATOM    253  OD1 ASP A  16      -1.337  10.339  -8.870  1.00  0.00           O
ATOM    254  OD2 ASP A  16      -1.008  11.539 -10.628  1.00  0.00           O
ATOM      0  H   ASP A  16      -5.010  13.473  -8.934  1.00  0.00           H   new
ATOM      0  HA  ASP A  16      -3.223  11.514  -7.456  1.00  0.00           H   new
ATOM      0  HB2 ASP A  16      -3.850  10.841  -9.830  1.00  0.00           H   new
ATOM      0  HB3 ASP A  16      -3.317  12.410 -10.399  1.00  0.00           H   new
ATOM    259  N   SER A  17      -2.130  13.686  -6.735  1.00  0.00           N
ATOM    260  CA  SER A  17      -1.234  14.841  -6.422  1.00  0.00           C
ATOM    261  C   SER A  17      -0.334  14.507  -5.221  1.00  0.00           C
ATOM    262  O   SER A  17      -0.450  13.441  -4.650  1.00  0.00           O
ATOM    263  CB  SER A  17      -2.186  15.993  -6.086  1.00  0.00           C
ATOM    264  OG  SER A  17      -2.113  16.975  -7.111  1.00  0.00           O
ATOM      0  H   SER A  17      -2.431  13.140  -5.927  1.00  0.00           H   new
ATOM      0  HA  SER A  17      -0.569  15.090  -7.249  1.00  0.00           H   new
ATOM      0  HB2 SER A  17      -3.207  15.622  -5.994  1.00  0.00           H   new
ATOM      0  HB3 SER A  17      -1.919  16.433  -5.125  1.00  0.00           H   new
ATOM      0  HG  SER A  17      -2.722  17.713  -6.901  1.00  0.00           H   new
ATOM    270  N   PRO A  18       0.538  15.427  -4.867  1.00  0.00           N
ATOM    271  CA  PRO A  18       1.446  15.193  -3.716  1.00  0.00           C
ATOM    272  C   PRO A  18       0.670  15.207  -2.383  1.00  0.00           C
ATOM    273  O   PRO A  18       1.076  14.566  -1.432  1.00  0.00           O
ATOM    274  CB  PRO A  18       2.436  16.354  -3.792  1.00  0.00           C
ATOM    275  CG  PRO A  18       1.712  17.432  -4.532  1.00  0.00           C
ATOM    276  CD  PRO A  18       0.763  16.749  -5.480  1.00  0.00           C
ATOM      0  HA  PRO A  18       1.936  14.220  -3.757  1.00  0.00           H   new
ATOM      0  HB2 PRO A  18       2.730  16.688  -2.797  1.00  0.00           H   new
ATOM      0  HB3 PRO A  18       3.348  16.062  -4.313  1.00  0.00           H   new
ATOM      0  HG2 PRO A  18       1.170  18.078  -3.841  1.00  0.00           H   new
ATOM      0  HG3 PRO A  18       2.413  18.065  -5.076  1.00  0.00           H   new
ATOM      0  HD2 PRO A  18      -0.169  17.305  -5.582  1.00  0.00           H   new
ATOM      0  HD3 PRO A  18       1.192  16.659  -6.478  1.00  0.00           H   new
ATOM    284  N   SER A  19      -0.441  15.919  -2.298  1.00  0.00           N
ATOM    285  CA  SER A  19      -1.214  15.937  -1.009  1.00  0.00           C
ATOM    286  C   SER A  19      -2.281  14.829  -1.017  1.00  0.00           C
ATOM    287  O   SER A  19      -2.513  14.188  -0.008  1.00  0.00           O
ATOM    288  CB  SER A  19      -1.876  17.319  -0.923  1.00  0.00           C
ATOM    289  OG  SER A  19      -1.831  17.778   0.422  1.00  0.00           O
ATOM      0  H   SER A  19      -0.837  16.478  -3.054  1.00  0.00           H   new
ATOM      0  HA  SER A  19      -0.565  15.758  -0.152  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -1.361  18.023  -1.577  1.00  0.00           H   new
ATOM      0  HB3 SER A  19      -2.909  17.262  -1.266  1.00  0.00           H   new
ATOM      0  HG  SER A  19      -2.251  18.661   0.480  1.00  0.00           H   new
ATOM    295  N   VAL A  20      -2.934  14.590  -2.140  1.00  0.00           N
ATOM    296  CA  VAL A  20      -3.983  13.504  -2.173  1.00  0.00           C
ATOM    297  C   VAL A  20      -3.325  12.144  -1.889  1.00  0.00           C
ATOM    298  O   VAL A  20      -3.797  11.391  -1.057  1.00  0.00           O
ATOM    299  CB  VAL A  20      -4.597  13.520  -3.587  1.00  0.00           C
ATOM    300  CG1 VAL A  20      -5.665  12.422  -3.711  1.00  0.00           C
ATOM    301  CG2 VAL A  20      -5.237  14.890  -3.851  1.00  0.00           C
ATOM      0  H   VAL A  20      -2.791  15.088  -3.019  1.00  0.00           H   new
ATOM      0  HA  VAL A  20      -4.752  13.669  -1.418  1.00  0.00           H   new
ATOM      0  HB  VAL A  20      -3.811  13.335  -4.319  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20      -6.093  12.442  -4.713  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20      -5.209  11.449  -3.530  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20      -6.452  12.596  -2.977  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20      -5.671  14.902  -4.851  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20      -6.018  15.075  -3.114  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20      -4.477  15.667  -3.776  1.00  0.00           H   new
ATOM    311  N   ARG A  21      -2.239  11.818  -2.568  1.00  0.00           N
ATOM    312  CA  ARG A  21      -1.568  10.490  -2.308  1.00  0.00           C
ATOM    313  C   ARG A  21      -1.183  10.388  -0.825  1.00  0.00           C
ATOM    314  O   ARG A  21      -1.474   9.402  -0.175  1.00  0.00           O
ATOM    315  CB  ARG A  21      -0.310  10.444  -3.189  1.00  0.00           C
ATOM    316  CG  ARG A  21      -0.701  10.073  -4.621  1.00  0.00           C
ATOM    317  CD  ARG A  21       0.449  10.418  -5.571  1.00  0.00           C
ATOM    318  NE  ARG A  21       1.589   9.571  -5.122  1.00  0.00           N
ATOM    319  CZ  ARG A  21       2.730  10.124  -4.811  1.00  0.00           C
ATOM    320  NH1 ARG A  21       3.655  10.265  -5.719  1.00  0.00           N
ATOM    321  NH2 ARG A  21       2.945  10.536  -3.591  1.00  0.00           N
ATOM      0  H   ARG A  21      -1.795  12.401  -3.278  1.00  0.00           H   new
ATOM      0  HA  ARG A  21      -2.232   9.658  -2.542  1.00  0.00           H   new
ATOM      0  HB2 ARG A  21       0.191  11.412  -3.177  1.00  0.00           H   new
ATOM      0  HB3 ARG A  21       0.397   9.715  -2.794  1.00  0.00           H   new
ATOM      0  HG2 ARG A  21      -0.931   9.009  -4.682  1.00  0.00           H   new
ATOM      0  HG3 ARG A  21      -1.603  10.611  -4.914  1.00  0.00           H   new
ATOM      0  HD2 ARG A  21       0.183  10.205  -6.606  1.00  0.00           H   new
ATOM      0  HD3 ARG A  21       0.700  11.477  -5.518  1.00  0.00           H   new
ATOM      0  HE  ARG A  21       1.478   8.559  -5.058  1.00  0.00           H   new
ATOM      0 HH11 ARG A  21       3.487   9.943  -6.672  1.00  0.00           H   new
ATOM      0 HH12 ARG A  21       4.546  10.697  -5.476  1.00  0.00           H   new
ATOM      0 HH21 ARG A  21       2.221  10.426  -2.881  1.00  0.00           H   new
ATOM      0 HH22 ARG A  21       3.837  10.968  -3.348  1.00  0.00           H   new
ATOM    335  N   LYS A  22      -0.547  11.407  -0.275  1.00  0.00           N
ATOM    336  CA  LYS A  22      -0.178  11.347   1.186  1.00  0.00           C
ATOM    337  C   LYS A  22      -1.466  11.245   2.016  1.00  0.00           C
ATOM    338  O   LYS A  22      -1.538  10.480   2.958  1.00  0.00           O
ATOM    339  CB  LYS A  22       0.571  12.648   1.519  1.00  0.00           C
ATOM    340  CG  LYS A  22       1.623  12.370   2.595  1.00  0.00           C
ATOM    341  CD  LYS A  22       2.080  13.692   3.215  1.00  0.00           C
ATOM    342  CE  LYS A  22       1.037  14.173   4.225  1.00  0.00           C
ATOM    343  NZ  LYS A  22       1.555  13.735   5.551  1.00  0.00           N
ATOM      0  H   LYS A  22      -0.273  12.260  -0.763  1.00  0.00           H   new
ATOM      0  HA  LYS A  22       0.450  10.484   1.409  1.00  0.00           H   new
ATOM      0  HB2 LYS A  22       1.048  13.045   0.623  1.00  0.00           H   new
ATOM      0  HB3 LYS A  22      -0.131  13.405   1.869  1.00  0.00           H   new
ATOM      0  HG2 LYS A  22       1.208  11.719   3.365  1.00  0.00           H   new
ATOM      0  HG3 LYS A  22       2.474  11.847   2.160  1.00  0.00           H   new
ATOM      0  HD2 LYS A  22       3.044  13.561   3.707  1.00  0.00           H   new
ATOM      0  HD3 LYS A  22       2.219  14.442   2.436  1.00  0.00           H   new
ATOM      0  HE2 LYS A  22       0.919  15.256   4.185  1.00  0.00           H   new
ATOM      0  HE3 LYS A  22       0.059  13.738   4.020  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  22       0.893  14.029   6.297  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  22       1.651  12.699   5.562  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  22       2.484  14.170   5.722  1.00  0.00           H   new
ATOM    357  N   THR A  23      -2.502  11.990   1.656  1.00  0.00           N
ATOM    358  CA  THR A  23      -3.801  11.891   2.424  1.00  0.00           C
ATOM    359  C   THR A  23      -4.236  10.412   2.458  1.00  0.00           C
ATOM    360  O   THR A  23      -4.631   9.900   3.489  1.00  0.00           O
ATOM    361  CB  THR A  23      -4.829  12.757   1.660  1.00  0.00           C
ATOM    362  OG1 THR A  23      -4.461  14.128   1.774  1.00  0.00           O
ATOM    363  CG2 THR A  23      -6.233  12.570   2.243  1.00  0.00           C
ATOM      0  H   THR A  23      -2.504  12.650   0.878  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -3.709  12.241   3.452  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -4.836  12.450   0.614  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -3.663  14.299   1.231  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.941  13.188   1.691  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -6.524  11.523   2.161  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -6.234  12.866   3.292  1.00  0.00           H   new
ATOM    371  N   HIS A  24      -4.127   9.717   1.342  1.00  0.00           N
ATOM    372  CA  HIS A  24      -4.495   8.260   1.335  1.00  0.00           C
ATOM    373  C   HIS A  24      -3.547   7.502   2.284  1.00  0.00           C
ATOM    374  O   HIS A  24      -3.963   6.606   2.996  1.00  0.00           O
ATOM    375  CB  HIS A  24      -4.306   7.764  -0.114  1.00  0.00           C
ATOM    376  CG  HIS A  24      -4.593   6.287  -0.184  1.00  0.00           C
ATOM    377  ND1 HIS A  24      -5.869   5.781  -0.363  1.00  0.00           N
ATOM    378  CD2 HIS A  24      -3.772   5.195  -0.060  1.00  0.00           C
ATOM    379  CE1 HIS A  24      -5.779   4.438  -0.335  1.00  0.00           C
ATOM    380  NE2 HIS A  24      -4.519   4.029  -0.152  1.00  0.00           N
ATOM      0  H   HIS A  24      -3.804  10.091   0.450  1.00  0.00           H   new
ATOM      0  HA  HIS A  24      -5.520   8.097   1.667  1.00  0.00           H   new
ATOM      0  HB2 HIS A  24      -4.973   8.306  -0.785  1.00  0.00           H   new
ATOM      0  HB3 HIS A  24      -3.287   7.963  -0.447  1.00  0.00           H   new
ATOM      0  HD1 HIS A  24      -6.721   6.326  -0.492  1.00  0.00           H   new
ATOM      0  HD2 HIS A  24      -2.703   5.237   0.087  1.00  0.00           H   new
ATOM      0  HE1 HIS A  24      -6.622   3.772  -0.447  1.00  0.00           H   new
ATOM    388  N   CYS A  25      -2.275   7.853   2.299  1.00  0.00           N
ATOM    389  CA  CYS A  25      -1.311   7.147   3.201  1.00  0.00           C
ATOM    390  C   CYS A  25      -1.143   7.924   4.517  1.00  0.00           C
ATOM    391  O   CYS A  25      -0.037   8.244   4.914  1.00  0.00           O
ATOM    392  CB  CYS A  25       0.011   7.115   2.428  1.00  0.00           C
ATOM    393  SG  CYS A  25       1.051   5.774   3.058  1.00  0.00           S
ATOM      0  H   CYS A  25      -1.870   8.594   1.727  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -1.655   6.147   3.464  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -0.181   6.971   1.365  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25       0.528   8.069   2.532  1.00  0.00           H   new
ATOM      0  HG  CYS A  25       2.171   5.748   2.399  1.00  0.00           H   new
ATOM    399  N   SER A  26      -2.226   8.230   5.201  1.00  0.00           N
ATOM    400  CA  SER A  26      -2.110   8.981   6.486  1.00  0.00           C
ATOM    401  C   SER A  26      -2.641   8.131   7.651  1.00  0.00           C
ATOM    402  O   SER A  26      -3.270   8.647   8.556  1.00  0.00           O
ATOM    403  CB  SER A  26      -2.974  10.227   6.295  1.00  0.00           C
ATOM    404  OG  SER A  26      -2.325  11.343   6.889  1.00  0.00           O
ATOM      0  H   SER A  26      -3.178   7.991   4.922  1.00  0.00           H   new
ATOM      0  HA  SER A  26      -1.077   9.233   6.724  1.00  0.00           H   new
ATOM      0  HB2 SER A  26      -3.139  10.410   5.233  1.00  0.00           H   new
ATOM      0  HB3 SER A  26      -3.954  10.077   6.749  1.00  0.00           H   new
ATOM      0  HG  SER A  26      -2.876  12.145   6.767  1.00  0.00           H   new
ATOM    410  N   GLY A  27      -2.400   6.833   7.642  1.00  0.00           N
ATOM    411  CA  GLY A  27      -2.902   5.977   8.754  1.00  0.00           C
ATOM    412  C   GLY A  27      -1.947   4.800   8.984  1.00  0.00           C
ATOM    413  O   GLY A  27      -1.648   4.057   8.069  1.00  0.00           O
ATOM      0  H   GLY A  27      -1.881   6.341   6.915  1.00  0.00           H   new
ATOM      0  HA2 GLY A  27      -2.991   6.567   9.666  1.00  0.00           H   new
ATOM      0  HA3 GLY A  27      -3.899   5.606   8.516  1.00  0.00           H   new
ATOM    417  N   ARG A  28      -1.481   4.603  10.203  1.00  0.00           N
ATOM    418  CA  ARG A  28      -0.562   3.434  10.467  1.00  0.00           C
ATOM    419  C   ARG A  28      -1.226   2.120   9.998  1.00  0.00           C
ATOM    420  O   ARG A  28      -0.546   1.183   9.624  1.00  0.00           O
ATOM    421  CB  ARG A  28      -0.326   3.399  11.987  1.00  0.00           C
ATOM    422  CG  ARG A  28       0.624   2.249  12.339  1.00  0.00           C
ATOM    423  CD  ARG A  28      -0.187   1.031  12.790  1.00  0.00           C
ATOM    424  NE  ARG A  28       0.714  -0.134  12.568  1.00  0.00           N
ATOM    425  CZ  ARG A  28       1.459  -0.578  13.543  1.00  0.00           C
ATOM    426  NH1 ARG A  28       0.951  -1.378  14.440  1.00  0.00           N
ATOM    427  NH2 ARG A  28       2.712  -0.221  13.622  1.00  0.00           N
ATOM      0  H   ARG A  28      -1.691   5.187  11.012  1.00  0.00           H   new
ATOM      0  HA  ARG A  28       0.378   3.539   9.926  1.00  0.00           H   new
ATOM      0  HB2 ARG A  28       0.097   4.347  12.320  1.00  0.00           H   new
ATOM      0  HB3 ARG A  28      -1.275   3.272  12.509  1.00  0.00           H   new
ATOM      0  HG2 ARG A  28       1.235   1.991  11.474  1.00  0.00           H   new
ATOM      0  HG3 ARG A  28       1.306   2.557  13.131  1.00  0.00           H   new
ATOM      0  HD2 ARG A  28      -0.474   1.114  13.838  1.00  0.00           H   new
ATOM      0  HD3 ARG A  28      -1.107   0.934  12.214  1.00  0.00           H   new
ATOM      0  HE  ARG A  28       0.749  -0.585  11.654  1.00  0.00           H   new
ATOM      0 HH11 ARG A  28      -0.028  -1.656  14.379  1.00  0.00           H   new
ATOM      0 HH12 ARG A  28       1.533  -1.725  15.202  1.00  0.00           H   new
ATOM      0 HH21 ARG A  28       3.109   0.405  12.922  1.00  0.00           H   new
ATOM      0 HH22 ARG A  28       3.294  -0.568  14.384  1.00  0.00           H   new
ATOM    441  N   LYS A  29      -2.549   2.043  10.006  1.00  0.00           N
ATOM    442  CA  LYS A  29      -3.228   0.777   9.545  1.00  0.00           C
ATOM    443  C   LYS A  29      -2.805   0.430   8.106  1.00  0.00           C
ATOM    444  O   LYS A  29      -2.721  -0.732   7.756  1.00  0.00           O
ATOM    445  CB  LYS A  29      -4.742   1.042   9.598  1.00  0.00           C
ATOM    446  CG  LYS A  29      -5.500  -0.239   9.244  1.00  0.00           C
ATOM    447  CD  LYS A  29      -6.995   0.064   9.139  1.00  0.00           C
ATOM    448  CE  LYS A  29      -7.597   0.164  10.543  1.00  0.00           C
ATOM    449  NZ  LYS A  29      -9.028  -0.216  10.376  1.00  0.00           N
ATOM      0  H   LYS A  29      -3.176   2.789  10.307  1.00  0.00           H   new
ATOM      0  HA  LYS A  29      -2.950  -0.064  10.181  1.00  0.00           H   new
ATOM      0  HB2 LYS A  29      -5.027   1.382  10.594  1.00  0.00           H   new
ATOM      0  HB3 LYS A  29      -5.007   1.838   8.901  1.00  0.00           H   new
ATOM      0  HG2 LYS A  29      -5.133  -0.642   8.300  1.00  0.00           H   new
ATOM      0  HG3 LYS A  29      -5.325  -1.000  10.005  1.00  0.00           H   new
ATOM      0  HD2 LYS A  29      -7.150   0.998   8.598  1.00  0.00           H   new
ATOM      0  HD3 LYS A  29      -7.497  -0.720   8.572  1.00  0.00           H   new
ATOM      0  HE2 LYS A  29      -7.090  -0.504  11.239  1.00  0.00           H   new
ATOM      0  HE3 LYS A  29      -7.501   1.173  10.943  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  29      -9.509  -0.171  11.297  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  29      -9.487   0.442   9.714  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  29      -9.089  -1.184  10.000  1.00  0.00           H   new
ATOM    463  N   HIS A  30      -2.545   1.419   7.260  1.00  0.00           N
ATOM    464  CA  HIS A  30      -2.133   1.106   5.836  1.00  0.00           C
ATOM    465  C   HIS A  30      -1.001   0.062   5.808  1.00  0.00           C
ATOM    466  O   HIS A  30      -0.980  -0.804   4.955  1.00  0.00           O
ATOM    467  CB  HIS A  30      -1.639   2.423   5.217  1.00  0.00           C
ATOM    468  CG  HIS A  30      -1.727   2.337   3.717  1.00  0.00           C
ATOM    469  ND1 HIS A  30      -0.607   2.211   2.910  1.00  0.00           N
ATOM    470  CD2 HIS A  30      -2.800   2.356   2.865  1.00  0.00           C
ATOM    471  CE1 HIS A  30      -1.031   2.161   1.633  1.00  0.00           C
ATOM    472  NE2 HIS A  30      -2.364   2.247   1.549  1.00  0.00           N
ATOM      0  H   HIS A  30      -2.599   2.411   7.489  1.00  0.00           H   new
ATOM      0  HA  HIS A  30      -2.974   0.692   5.280  1.00  0.00           H   new
ATOM      0  HB2 HIS A  30      -2.241   3.256   5.580  1.00  0.00           H   new
ATOM      0  HB3 HIS A  30      -0.610   2.617   5.521  1.00  0.00           H   new
ATOM      0  HD2 HIS A  30      -3.832   2.443   3.171  1.00  0.00           H   new
ATOM      0  HE1 HIS A  30      -0.375   2.063   0.780  1.00  0.00           H   new
ATOM      0  HE2 HIS A  30      -2.935   2.235   0.704  1.00  0.00           H   new
ATOM    480  N   LYS A  31      -0.065   0.126   6.739  1.00  0.00           N
ATOM    481  CA  LYS A  31       1.050  -0.892   6.743  1.00  0.00           C
ATOM    482  C   LYS A  31       0.457  -2.300   6.890  1.00  0.00           C
ATOM    483  O   LYS A  31       0.678  -3.154   6.053  1.00  0.00           O
ATOM    484  CB  LYS A  31       1.952  -0.565   7.944  1.00  0.00           C
ATOM    485  CG  LYS A  31       3.379  -1.036   7.656  1.00  0.00           C
ATOM    486  CD  LYS A  31       4.376  -0.094   8.335  1.00  0.00           C
ATOM    487  CE  LYS A  31       4.658  -0.581   9.760  1.00  0.00           C
ATOM    488  NZ  LYS A  31       5.985  -1.253   9.681  1.00  0.00           N
ATOM      0  H   LYS A  31      -0.024   0.824   7.482  1.00  0.00           H   new
ATOM      0  HA  LYS A  31       1.621  -0.860   5.815  1.00  0.00           H   new
ATOM      0  HB2 LYS A  31       1.944   0.508   8.136  1.00  0.00           H   new
ATOM      0  HB3 LYS A  31       1.571  -1.053   8.841  1.00  0.00           H   new
ATOM      0  HG2 LYS A  31       3.518  -2.054   8.021  1.00  0.00           H   new
ATOM      0  HG3 LYS A  31       3.556  -1.056   6.581  1.00  0.00           H   new
ATOM      0  HD2 LYS A  31       5.303  -0.056   7.763  1.00  0.00           H   new
ATOM      0  HD3 LYS A  31       3.975   0.919   8.359  1.00  0.00           H   new
ATOM      0  HE2 LYS A  31       4.678   0.250  10.465  1.00  0.00           H   new
ATOM      0  HE3 LYS A  31       3.886  -1.270  10.102  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  31       6.248  -1.614  10.620  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  31       5.934  -2.044   9.008  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  31       6.701  -0.571   9.360  1.00  0.00           H   new
ATOM    502  N   GLU A  32      -0.313  -2.547   7.934  1.00  0.00           N
ATOM    503  CA  GLU A  32      -0.932  -3.914   8.091  1.00  0.00           C
ATOM    504  C   GLU A  32      -1.813  -4.215   6.866  1.00  0.00           C
ATOM    505  O   GLU A  32      -1.834  -5.326   6.374  1.00  0.00           O
ATOM    506  CB  GLU A  32      -1.789  -3.874   9.367  1.00  0.00           C
ATOM    507  CG  GLU A  32      -0.883  -3.996  10.594  1.00  0.00           C
ATOM    508  CD  GLU A  32      -1.663  -4.637  11.742  1.00  0.00           C
ATOM    509  OE1 GLU A  32      -2.494  -3.957  12.322  1.00  0.00           O
ATOM    510  OE2 GLU A  32      -1.415  -5.798  12.024  1.00  0.00           O
ATOM      0  H   GLU A  32      -0.536  -1.877   8.670  1.00  0.00           H   new
ATOM      0  HA  GLU A  32      -0.172  -4.692   8.165  1.00  0.00           H   new
ATOM      0  HB2 GLU A  32      -2.354  -2.943   9.410  1.00  0.00           H   new
ATOM      0  HB3 GLU A  32      -2.515  -4.687   9.356  1.00  0.00           H   new
ATOM      0  HG2 GLU A  32      -0.007  -4.599  10.354  1.00  0.00           H   new
ATOM      0  HG3 GLU A  32      -0.521  -3.012  10.891  1.00  0.00           H   new
ATOM    517  N   ASN A  33      -2.531  -3.228   6.359  1.00  0.00           N
ATOM    518  CA  ASN A  33      -3.393  -3.474   5.146  1.00  0.00           C
ATOM    519  C   ASN A  33      -2.536  -4.019   3.987  1.00  0.00           C
ATOM    520  O   ASN A  33      -2.981  -4.862   3.232  1.00  0.00           O
ATOM    521  CB  ASN A  33      -4.003  -2.116   4.759  1.00  0.00           C
ATOM    522  CG  ASN A  33      -5.216  -1.827   5.653  1.00  0.00           C
ATOM    523  OD1 ASN A  33      -5.844  -2.740   6.150  1.00  0.00           O
ATOM    524  ND2 ASN A  33      -5.578  -0.588   5.884  1.00  0.00           N
ATOM      0  H   ASN A  33      -2.557  -2.277   6.727  1.00  0.00           H   new
ATOM      0  HA  ASN A  33      -4.169  -4.209   5.358  1.00  0.00           H   new
ATOM      0  HB2 ASN A  33      -3.260  -1.327   4.870  1.00  0.00           H   new
ATOM      0  HB3 ASN A  33      -4.304  -2.126   3.711  1.00  0.00           H   new
ATOM      0 HD21 ASN A  33      -6.384  -0.395   6.479  1.00  0.00           H   new
ATOM      0 HD22 ASN A  33      -5.054   0.182   5.469  1.00  0.00           H   new
ATOM    531  N   VAL A  34      -1.306  -3.550   3.839  1.00  0.00           N
ATOM    532  CA  VAL A  34      -0.438  -4.067   2.715  1.00  0.00           C
ATOM    533  C   VAL A  34      -0.321  -5.606   2.792  1.00  0.00           C
ATOM    534  O   VAL A  34      -0.269  -6.268   1.772  1.00  0.00           O
ATOM    535  CB  VAL A  34       0.941  -3.385   2.881  1.00  0.00           C
ATOM    536  CG1 VAL A  34       1.993  -4.041   1.968  1.00  0.00           C
ATOM    537  CG2 VAL A  34       0.802  -1.904   2.510  1.00  0.00           C
ATOM      0  H   VAL A  34      -0.873  -2.845   4.436  1.00  0.00           H   new
ATOM      0  HA  VAL A  34      -0.864  -3.836   1.738  1.00  0.00           H   new
ATOM      0  HB  VAL A  34       1.269  -3.494   3.915  1.00  0.00           H   new
ATOM      0 HG11 VAL A  34       2.953  -3.544   2.103  1.00  0.00           H   new
ATOM      0 HG12 VAL A  34       2.091  -5.096   2.225  1.00  0.00           H   new
ATOM      0 HG13 VAL A  34       1.680  -3.949   0.928  1.00  0.00           H   new
ATOM      0 HG21 VAL A  34       1.767  -1.409   2.622  1.00  0.00           H   new
ATOM      0 HG22 VAL A  34       0.468  -1.818   1.476  1.00  0.00           H   new
ATOM      0 HG23 VAL A  34       0.073  -1.431   3.168  1.00  0.00           H   new
ATOM    547  N   LYS A  35      -0.281  -6.186   3.981  1.00  0.00           N
ATOM    548  CA  LYS A  35      -0.168  -7.693   4.074  1.00  0.00           C
ATOM    549  C   LYS A  35      -1.271  -8.359   3.234  1.00  0.00           C
ATOM    550  O   LYS A  35      -1.027  -9.340   2.557  1.00  0.00           O
ATOM    551  CB  LYS A  35      -0.336  -8.065   5.555  1.00  0.00           C
ATOM    552  CG  LYS A  35       1.023  -8.002   6.255  1.00  0.00           C
ATOM    553  CD  LYS A  35       1.038  -8.984   7.430  1.00  0.00           C
ATOM    554  CE  LYS A  35       1.415 -10.378   6.926  1.00  0.00           C
ATOM    555  NZ  LYS A  35       1.769 -11.147   8.153  1.00  0.00           N
ATOM      0  H   LYS A  35      -0.321  -5.694   4.874  1.00  0.00           H   new
ATOM      0  HA  LYS A  35       0.794  -8.035   3.693  1.00  0.00           H   new
ATOM      0  HB2 LYS A  35      -1.036  -7.382   6.035  1.00  0.00           H   new
ATOM      0  HB3 LYS A  35      -0.757  -9.067   5.644  1.00  0.00           H   new
ATOM      0  HG2 LYS A  35       1.818  -8.248   5.551  1.00  0.00           H   new
ATOM      0  HG3 LYS A  35       1.214  -6.990   6.611  1.00  0.00           H   new
ATOM      0  HD2 LYS A  35       1.752  -8.653   8.185  1.00  0.00           H   new
ATOM      0  HD3 LYS A  35       0.059  -9.011   7.908  1.00  0.00           H   new
ATOM      0  HE2 LYS A  35       0.585 -10.843   6.394  1.00  0.00           H   new
ATOM      0  HE3 LYS A  35       2.254 -10.334   6.232  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  35       2.039 -12.116   7.889  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  35       2.566 -10.684   8.635  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  35       0.949 -11.178   8.792  1.00  0.00           H   new
ATOM    569  N   ASP A  36      -2.477  -7.827   3.258  1.00  0.00           N
ATOM    570  CA  ASP A  36      -3.579  -8.441   2.431  1.00  0.00           C
ATOM    571  C   ASP A  36      -3.176  -8.492   0.944  1.00  0.00           C
ATOM    572  O   ASP A  36      -3.605  -9.373   0.221  1.00  0.00           O
ATOM    573  CB  ASP A  36      -4.817  -7.547   2.609  1.00  0.00           C
ATOM    574  CG  ASP A  36      -6.009  -8.173   1.881  1.00  0.00           C
ATOM    575  OD1 ASP A  36      -6.911  -8.641   2.555  1.00  0.00           O
ATOM    576  OD2 ASP A  36      -5.998  -8.173   0.661  1.00  0.00           O
ATOM      0  H   ASP A  36      -2.745  -7.008   3.804  1.00  0.00           H   new
ATOM      0  HA  ASP A  36      -3.779  -9.463   2.753  1.00  0.00           H   new
ATOM      0  HB2 ASP A  36      -5.045  -7.430   3.668  1.00  0.00           H   new
ATOM      0  HB3 ASP A  36      -4.619  -6.551   2.214  1.00  0.00           H   new
ATOM    581  N   TYR A  37      -2.358  -7.564   0.473  1.00  0.00           N
ATOM    582  CA  TYR A  37      -1.953  -7.599  -0.979  1.00  0.00           C
ATOM    583  C   TYR A  37      -1.050  -8.813  -1.246  1.00  0.00           C
ATOM    584  O   TYR A  37      -1.322  -9.606  -2.129  1.00  0.00           O
ATOM    585  CB  TYR A  37      -1.186  -6.295  -1.256  1.00  0.00           C
ATOM    586  CG  TYR A  37      -0.834  -6.216  -2.722  1.00  0.00           C
ATOM    587  CD1 TYR A  37       0.470  -6.505  -3.146  1.00  0.00           C
ATOM    588  CD2 TYR A  37      -1.810  -5.854  -3.658  1.00  0.00           C
ATOM    589  CE1 TYR A  37       0.796  -6.432  -4.505  1.00  0.00           C
ATOM    590  CE2 TYR A  37      -1.483  -5.781  -5.018  1.00  0.00           C
ATOM    591  CZ  TYR A  37      -0.180  -6.070  -5.441  1.00  0.00           C
ATOM    592  OH  TYR A  37       0.142  -5.999  -6.781  1.00  0.00           O
ATOM      0  H   TYR A  37      -1.962  -6.800   1.020  1.00  0.00           H   new
ATOM      0  HA  TYR A  37      -2.824  -7.685  -1.628  1.00  0.00           H   new
ATOM      0  HB2 TYR A  37      -1.794  -5.436  -0.971  1.00  0.00           H   new
ATOM      0  HB3 TYR A  37      -0.280  -6.259  -0.652  1.00  0.00           H   new
ATOM      0  HD1 TYR A  37       1.223  -6.784  -2.424  1.00  0.00           H   new
ATOM      0  HD2 TYR A  37      -2.815  -5.631  -3.331  1.00  0.00           H   new
ATOM      0  HE1 TYR A  37       1.801  -6.655  -4.832  1.00  0.00           H   new
ATOM      0  HE2 TYR A  37      -2.236  -5.502  -5.740  1.00  0.00           H   new
ATOM      0  HH  TYR A  37      -0.650  -5.735  -7.294  1.00  0.00           H   new
ATOM    602  N   TYR A  38       0.020  -8.975  -0.489  1.00  0.00           N
ATOM    603  CA  TYR A  38       0.921 -10.155  -0.716  1.00  0.00           C
ATOM    604  C   TYR A  38       0.640 -11.273   0.308  1.00  0.00           C
ATOM    605  O   TYR A  38       1.542 -11.972   0.728  1.00  0.00           O
ATOM    606  CB  TYR A  38       2.374  -9.624  -0.628  1.00  0.00           C
ATOM    607  CG  TYR A  38       2.763  -9.235   0.790  1.00  0.00           C
ATOM    608  CD1 TYR A  38       2.551  -7.926   1.245  1.00  0.00           C
ATOM    609  CD2 TYR A  38       3.360 -10.176   1.640  1.00  0.00           C
ATOM    610  CE1 TYR A  38       2.927  -7.564   2.542  1.00  0.00           C
ATOM    611  CE2 TYR A  38       3.734  -9.812   2.939  1.00  0.00           C
ATOM    612  CZ  TYR A  38       3.517  -8.506   3.390  1.00  0.00           C
ATOM    613  OH  TYR A  38       3.888  -8.147   4.670  1.00  0.00           O
ATOM      0  H   TYR A  38       0.303  -8.349   0.265  1.00  0.00           H   new
ATOM      0  HA  TYR A  38       0.747 -10.607  -1.693  1.00  0.00           H   new
ATOM      0  HB2 TYR A  38       3.060 -10.388  -0.994  1.00  0.00           H   new
ATOM      0  HB3 TYR A  38       2.482  -8.759  -1.282  1.00  0.00           H   new
ATOM      0  HD1 TYR A  38       2.096  -7.196   0.592  1.00  0.00           H   new
ATOM      0  HD2 TYR A  38       3.532 -11.184   1.292  1.00  0.00           H   new
ATOM      0  HE1 TYR A  38       2.761  -6.555   2.889  1.00  0.00           H   new
ATOM      0  HE2 TYR A  38       4.190 -10.540   3.593  1.00  0.00           H   new
ATOM      0  HH  TYR A  38       4.282  -8.920   5.126  1.00  0.00           H   new
ATOM    623  N   GLN A  39      -0.606 -11.474   0.697  1.00  0.00           N
ATOM    624  CA  GLN A  39      -0.913 -12.571   1.681  1.00  0.00           C
ATOM    625  C   GLN A  39      -1.059 -13.917   0.953  1.00  0.00           C
ATOM    626  O   GLN A  39      -0.650 -14.943   1.462  1.00  0.00           O
ATOM    627  CB  GLN A  39      -2.235 -12.189   2.367  1.00  0.00           C
ATOM    628  CG  GLN A  39      -2.203 -12.646   3.826  1.00  0.00           C
ATOM    629  CD  GLN A  39      -2.336 -14.172   3.889  1.00  0.00           C
ATOM    630  OE1 GLN A  39      -1.465 -14.844   4.405  1.00  0.00           O
ATOM    631  NE2 GLN A  39      -3.393 -14.758   3.381  1.00  0.00           N
ATOM      0  H   GLN A  39      -1.411 -10.934   0.380  1.00  0.00           H   new
ATOM      0  HA  GLN A  39      -0.110 -12.680   2.410  1.00  0.00           H   new
ATOM      0  HB2 GLN A  39      -2.385 -11.111   2.316  1.00  0.00           H   new
ATOM      0  HB3 GLN A  39      -3.074 -12.653   1.848  1.00  0.00           H   new
ATOM      0  HG2 GLN A  39      -1.271 -12.332   4.296  1.00  0.00           H   new
ATOM      0  HG3 GLN A  39      -3.014 -12.177   4.383  1.00  0.00           H   new
ATOM      0 HE21 GLN A  39      -4.127 -14.199   2.947  1.00  0.00           H   new
ATOM      0 HE22 GLN A  39      -3.481 -15.773   3.420  1.00  0.00           H   new
ATOM    640  N   LYS A  40      -1.628 -13.924  -0.234  1.00  0.00           N
ATOM    641  CA  LYS A  40      -1.781 -15.217  -0.983  1.00  0.00           C
ATOM    642  C   LYS A  40      -0.760 -15.320  -2.133  1.00  0.00           C
ATOM    643  O   LYS A  40      -0.981 -16.041  -3.087  1.00  0.00           O
ATOM    644  CB  LYS A  40      -3.194 -15.185  -1.553  1.00  0.00           C
ATOM    645  CG  LYS A  40      -4.194 -15.627  -0.483  1.00  0.00           C
ATOM    646  CD  LYS A  40      -5.579 -15.064  -0.812  1.00  0.00           C
ATOM    647  CE  LYS A  40      -6.654 -16.064  -0.378  1.00  0.00           C
ATOM    648  NZ  LYS A  40      -6.616 -16.046   1.110  1.00  0.00           N
ATOM      0  H   LYS A  40      -1.990 -13.099  -0.712  1.00  0.00           H   new
ATOM      0  HA  LYS A  40      -1.610 -16.073  -0.330  1.00  0.00           H   new
ATOM      0  HB2 LYS A  40      -3.435 -14.179  -1.896  1.00  0.00           H   new
ATOM      0  HB3 LYS A  40      -3.261 -15.842  -2.420  1.00  0.00           H   new
ATOM      0  HG2 LYS A  40      -4.234 -16.715  -0.436  1.00  0.00           H   new
ATOM      0  HG3 LYS A  40      -3.871 -15.277   0.498  1.00  0.00           H   new
ATOM      0  HD2 LYS A  40      -5.726 -14.112  -0.303  1.00  0.00           H   new
ATOM      0  HD3 LYS A  40      -5.659 -14.869  -1.881  1.00  0.00           H   new
ATOM      0  HE2 LYS A  40      -7.636 -15.775  -0.752  1.00  0.00           H   new
ATOM      0  HE3 LYS A  40      -6.446 -17.061  -0.766  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  40      -7.489 -16.468   1.485  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  40      -5.797 -16.593   1.443  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  40      -6.535 -15.064   1.443  1.00  0.00           H   new
ATOM    662  N   TRP A  41       0.352 -14.614  -2.061  1.00  0.00           N
ATOM    663  CA  TRP A  41       1.362 -14.696  -3.167  1.00  0.00           C
ATOM    664  C   TRP A  41       2.572 -15.536  -2.727  1.00  0.00           C
ATOM    665  O   TRP A  41       2.987 -16.439  -3.430  1.00  0.00           O
ATOM    666  CB  TRP A  41       1.781 -13.248  -3.448  1.00  0.00           C
ATOM    667  CG  TRP A  41       2.568 -13.178  -4.724  1.00  0.00           C
ATOM    668  CD1 TRP A  41       2.300 -13.881  -5.852  1.00  0.00           C
ATOM    669  CD2 TRP A  41       3.744 -12.370  -5.020  1.00  0.00           C
ATOM    670  NE1 TRP A  41       3.237 -13.557  -6.815  1.00  0.00           N
ATOM    671  CE2 TRP A  41       4.147 -12.629  -6.352  1.00  0.00           C
ATOM    672  CE3 TRP A  41       4.493 -11.446  -4.270  1.00  0.00           C
ATOM    673  CZ2 TRP A  41       5.253 -11.996  -6.918  1.00  0.00           C
ATOM    674  CZ3 TRP A  41       5.607 -10.807  -4.835  1.00  0.00           C
ATOM    675  CH2 TRP A  41       5.987 -11.081  -6.158  1.00  0.00           C
ATOM      0  H   TRP A  41       0.599 -13.992  -1.291  1.00  0.00           H   new
ATOM      0  HA  TRP A  41       0.952 -15.175  -4.056  1.00  0.00           H   new
ATOM      0  HB2 TRP A  41       0.898 -12.613  -3.521  1.00  0.00           H   new
ATOM      0  HB3 TRP A  41       2.380 -12.867  -2.621  1.00  0.00           H   new
ATOM      0  HD1 TRP A  41       1.487 -14.580  -5.978  1.00  0.00           H   new
ATOM      0  HE1 TRP A  41       3.254 -13.955  -7.754  1.00  0.00           H   new
ATOM      0  HE3 TRP A  41       4.209 -11.227  -3.251  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  41       5.540 -12.211  -7.937  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  41       6.175 -10.100  -4.249  1.00  0.00           H   new
ATOM      0  HH2 TRP A  41       6.845 -10.586  -6.588  1.00  0.00           H   new
ATOM    686  N   MET A  42       3.142 -15.254  -1.572  1.00  0.00           N
ATOM    687  CA  MET A  42       4.324 -16.053  -1.109  1.00  0.00           C
ATOM    688  C   MET A  42       3.908 -17.028   0.007  1.00  0.00           C
ATOM    689  O   MET A  42       4.242 -18.197  -0.034  1.00  0.00           O
ATOM    690  CB  MET A  42       5.337 -15.027  -0.578  1.00  0.00           C
ATOM    691  CG  MET A  42       6.519 -14.911  -1.550  1.00  0.00           C
ATOM    692  SD  MET A  42       6.304 -13.456  -2.607  1.00  0.00           S
ATOM    693  CE  MET A  42       5.781 -14.331  -4.103  1.00  0.00           C
ATOM      0  H   MET A  42       2.842 -14.513  -0.939  1.00  0.00           H   new
ATOM      0  HA  MET A  42       4.746 -16.653  -1.915  1.00  0.00           H   new
ATOM      0  HB2 MET A  42       4.856 -14.056  -0.459  1.00  0.00           H   new
ATOM      0  HB3 MET A  42       5.693 -15.330   0.407  1.00  0.00           H   new
ATOM      0  HG2 MET A  42       7.453 -14.833  -0.993  1.00  0.00           H   new
ATOM      0  HG3 MET A  42       6.587 -15.810  -2.163  1.00  0.00           H   new
ATOM      0  HE1 MET A  42       5.981 -13.710  -4.976  1.00  0.00           H   new
ATOM      0  HE2 MET A  42       6.333 -15.267  -4.189  1.00  0.00           H   new
ATOM      0  HE3 MET A  42       4.713 -14.543  -4.046  1.00  0.00           H   new
ATOM    703  N   GLU A  43       3.181 -16.564   1.009  1.00  0.00           N
ATOM    704  CA  GLU A  43       2.751 -17.471   2.125  1.00  0.00           C
ATOM    705  C   GLU A  43       3.968 -18.175   2.751  1.00  0.00           C
ATOM    706  O   GLU A  43       3.897 -19.338   3.105  1.00  0.00           O
ATOM    707  CB  GLU A  43       1.808 -18.495   1.483  1.00  0.00           C
ATOM    708  CG  GLU A  43       0.698 -18.858   2.472  1.00  0.00           C
ATOM    709  CD  GLU A  43      -0.491 -19.446   1.710  1.00  0.00           C
ATOM    710  OE1 GLU A  43      -1.613 -19.182   2.108  1.00  0.00           O
ATOM    711  OE2 GLU A  43      -0.259 -20.152   0.742  1.00  0.00           O
ATOM      0  H   GLU A  43       2.870 -15.597   1.097  1.00  0.00           H   new
ATOM      0  HA  GLU A  43       2.261 -16.918   2.926  1.00  0.00           H   new
ATOM      0  HB2 GLU A  43       1.376 -18.085   0.570  1.00  0.00           H   new
ATOM      0  HB3 GLU A  43       2.364 -19.389   1.199  1.00  0.00           H   new
ATOM      0  HG2 GLU A  43       1.068 -19.578   3.202  1.00  0.00           H   new
ATOM      0  HG3 GLU A  43       0.387 -17.973   3.027  1.00  0.00           H   new
ATOM    718  N   GLU A  44       5.082 -17.484   2.894  1.00  0.00           N
ATOM    719  CA  GLU A  44       6.290 -18.128   3.500  1.00  0.00           C
ATOM    720  C   GLU A  44       7.168 -17.076   4.199  1.00  0.00           C
ATOM    721  O   GLU A  44       7.316 -17.096   5.407  1.00  0.00           O
ATOM    722  CB  GLU A  44       7.037 -18.753   2.320  1.00  0.00           C
ATOM    723  CG  GLU A  44       6.339 -20.047   1.899  1.00  0.00           C
ATOM    724  CD  GLU A  44       7.334 -20.953   1.173  1.00  0.00           C
ATOM    725  OE1 GLU A  44       7.599 -22.032   1.675  1.00  0.00           O
ATOM    726  OE2 GLU A  44       7.816 -20.551   0.127  1.00  0.00           O
ATOM      0  H   GLU A  44       5.202 -16.509   2.618  1.00  0.00           H   new
ATOM      0  HA  GLU A  44       6.026 -18.867   4.256  1.00  0.00           H   new
ATOM      0  HB2 GLU A  44       7.066 -18.055   1.484  1.00  0.00           H   new
ATOM      0  HB3 GLU A  44       8.070 -18.959   2.599  1.00  0.00           H   new
ATOM      0  HG2 GLU A  44       5.939 -20.558   2.775  1.00  0.00           H   new
ATOM      0  HG3 GLU A  44       5.495 -19.821   1.248  1.00  0.00           H   new
ATOM    733  N   GLN A  45       7.752 -16.157   3.455  1.00  0.00           N
ATOM    734  CA  GLN A  45       8.616 -15.112   4.096  1.00  0.00           C
ATOM    735  C   GLN A  45       8.870 -13.942   3.128  1.00  0.00           C
ATOM    736  O   GLN A  45       9.895 -13.888   2.475  1.00  0.00           O
ATOM    737  CB  GLN A  45       9.926 -15.830   4.419  1.00  0.00           C
ATOM    738  CG  GLN A  45      10.548 -15.219   5.676  1.00  0.00           C
ATOM    739  CD  GLN A  45      11.349 -13.968   5.296  1.00  0.00           C
ATOM    740  OE1 GLN A  45      12.461 -14.072   4.817  1.00  0.00           O
ATOM    741  NE2 GLN A  45      10.833 -12.777   5.487  1.00  0.00           N
ATOM      0  H   GLN A  45       7.667 -16.088   2.441  1.00  0.00           H   new
ATOM      0  HA  GLN A  45       8.148 -14.685   4.983  1.00  0.00           H   new
ATOM      0  HB2 GLN A  45       9.742 -16.893   4.572  1.00  0.00           H   new
ATOM      0  HB3 GLN A  45      10.617 -15.744   3.580  1.00  0.00           H   new
ATOM      0  HG2 GLN A  45       9.767 -14.960   6.392  1.00  0.00           H   new
ATOM      0  HG3 GLN A  45      11.198 -15.946   6.163  1.00  0.00           H   new
ATOM      0 HE21 GLN A  45       9.900 -12.684   5.889  1.00  0.00           H   new
ATOM      0 HE22 GLN A  45      11.365 -11.944   5.234  1.00  0.00           H   new
ATOM    750  N   ALA A  46       7.947 -13.006   3.028  1.00  0.00           N
ATOM    751  CA  ALA A  46       8.148 -11.852   2.100  1.00  0.00           C
ATOM    752  C   ALA A  46       7.895 -10.526   2.833  1.00  0.00           C
ATOM    753  O   ALA A  46       6.892  -9.871   2.608  1.00  0.00           O
ATOM    754  CB  ALA A  46       7.124 -12.059   0.983  1.00  0.00           C
ATOM      0  H   ALA A  46       7.070 -12.996   3.548  1.00  0.00           H   new
ATOM      0  HA  ALA A  46       9.166 -11.805   1.713  1.00  0.00           H   new
ATOM      0  HB1 ALA A  46       7.208 -11.250   0.258  1.00  0.00           H   new
ATOM      0  HB2 ALA A  46       7.314 -13.011   0.487  1.00  0.00           H   new
ATOM      0  HB3 ALA A  46       6.120 -12.064   1.406  1.00  0.00           H   new
ATOM    760  N   GLN A  47       8.796 -10.116   3.702  1.00  0.00           N
ATOM    761  CA  GLN A  47       8.597  -8.828   4.432  1.00  0.00           C
ATOM    762  C   GLN A  47       9.764  -7.862   4.155  1.00  0.00           C
ATOM    763  O   GLN A  47      10.140  -7.084   5.012  1.00  0.00           O
ATOM    764  CB  GLN A  47       8.555  -9.210   5.912  1.00  0.00           C
ATOM    765  CG  GLN A  47       7.473  -8.390   6.621  1.00  0.00           C
ATOM    766  CD  GLN A  47       7.003  -9.138   7.874  1.00  0.00           C
ATOM    767  OE1 GLN A  47       7.812  -9.597   8.657  1.00  0.00           O
ATOM    768  NE2 GLN A  47       5.720  -9.286   8.107  1.00  0.00           N
ATOM      0  H   GLN A  47       9.654 -10.618   3.932  1.00  0.00           H   new
ATOM      0  HA  GLN A  47       7.687  -8.317   4.117  1.00  0.00           H   new
ATOM      0  HB2 GLN A  47       8.347 -10.275   6.018  1.00  0.00           H   new
ATOM      0  HB3 GLN A  47       9.526  -9.027   6.373  1.00  0.00           H   new
ATOM      0  HG2 GLN A  47       7.865  -7.411   6.895  1.00  0.00           H   new
ATOM      0  HG3 GLN A  47       6.632  -8.220   5.949  1.00  0.00           H   new
ATOM      0 HE21 GLN A  47       5.036  -8.904   7.454  1.00  0.00           H   new
ATOM      0 HE22 GLN A  47       5.407  -9.783   8.941  1.00  0.00           H   new
ATOM    777  N   SER A  48      10.335  -7.892   2.966  1.00  0.00           N
ATOM    778  CA  SER A  48      11.468  -6.960   2.653  1.00  0.00           C
ATOM    779  C   SER A  48      10.993  -5.871   1.674  1.00  0.00           C
ATOM    780  O   SER A  48      11.193  -4.694   1.913  1.00  0.00           O
ATOM    781  CB  SER A  48      12.559  -7.825   2.011  1.00  0.00           C
ATOM    782  OG  SER A  48      11.994  -9.052   1.557  1.00  0.00           O
ATOM      0  H   SER A  48      10.065  -8.518   2.207  1.00  0.00           H   new
ATOM      0  HA  SER A  48      11.839  -6.456   3.545  1.00  0.00           H   new
ATOM      0  HB2 SER A  48      13.015  -7.292   1.176  1.00  0.00           H   new
ATOM      0  HB3 SER A  48      13.351  -8.023   2.733  1.00  0.00           H   new
ATOM      0  HG  SER A  48      12.693  -9.602   1.146  1.00  0.00           H   new
ATOM    788  N   LEU A  49      10.359  -6.248   0.579  1.00  0.00           N
ATOM    789  CA  LEU A  49       9.870  -5.207  -0.398  1.00  0.00           C
ATOM    790  C   LEU A  49       8.842  -4.254   0.257  1.00  0.00           C
ATOM    791  O   LEU A  49       8.638  -3.156  -0.227  1.00  0.00           O
ATOM    792  CB  LEU A  49       9.223  -5.968  -1.576  1.00  0.00           C
ATOM    793  CG  LEU A  49       8.012  -6.786  -1.087  1.00  0.00           C
ATOM    794  CD1 LEU A  49       6.800  -6.497  -1.977  1.00  0.00           C
ATOM    795  CD2 LEU A  49       8.337  -8.286  -1.147  1.00  0.00           C
ATOM      0  H   LEU A  49      10.161  -7.215   0.322  1.00  0.00           H   new
ATOM      0  HA  LEU A  49      10.701  -4.587  -0.735  1.00  0.00           H   new
ATOM      0  HB2 LEU A  49       8.907  -5.262  -2.344  1.00  0.00           H   new
ATOM      0  HB3 LEU A  49       9.956  -6.631  -2.035  1.00  0.00           H   new
ATOM      0  HG  LEU A  49       7.786  -6.504  -0.059  1.00  0.00           H   new
ATOM      0 HD11 LEU A  49       5.946  -7.077  -1.628  1.00  0.00           H   new
ATOM      0 HD12 LEU A  49       6.560  -5.435  -1.931  1.00  0.00           H   new
ATOM      0 HD13 LEU A  49       7.030  -6.773  -3.006  1.00  0.00           H   new
ATOM      0 HD21 LEU A  49       7.477  -8.859  -0.800  1.00  0.00           H   new
ATOM      0 HD22 LEU A  49       8.570  -8.567  -2.174  1.00  0.00           H   new
ATOM      0 HD23 LEU A  49       9.195  -8.498  -0.509  1.00  0.00           H   new
ATOM    807  N   ILE A  50       8.196  -4.643   1.344  1.00  0.00           N
ATOM    808  CA  ILE A  50       7.198  -3.716   1.989  1.00  0.00           C
ATOM    809  C   ILE A  50       7.934  -2.588   2.733  1.00  0.00           C
ATOM    810  O   ILE A  50       7.500  -1.451   2.714  1.00  0.00           O
ATOM    811  CB  ILE A  50       6.378  -4.570   2.976  1.00  0.00           C
ATOM    812  CG1 ILE A  50       5.663  -5.701   2.214  1.00  0.00           C
ATOM    813  CG2 ILE A  50       5.342  -3.695   3.688  1.00  0.00           C
ATOM    814  CD1 ILE A  50       4.713  -5.120   1.159  1.00  0.00           C
ATOM      0  H   ILE A  50       8.315  -5.546   1.804  1.00  0.00           H   new
ATOM      0  HA  ILE A  50       6.549  -3.251   1.247  1.00  0.00           H   new
ATOM      0  HB  ILE A  50       7.051  -5.002   3.717  1.00  0.00           H   new
ATOM      0 HG12 ILE A  50       6.399  -6.346   1.734  1.00  0.00           H   new
ATOM      0 HG13 ILE A  50       5.103  -6.322   2.914  1.00  0.00           H   new
ATOM      0 HG21 ILE A  50       4.767  -4.306   4.384  1.00  0.00           H   new
ATOM      0 HG22 ILE A  50       5.851  -2.902   4.236  1.00  0.00           H   new
ATOM      0 HG23 ILE A  50       4.671  -3.254   2.951  1.00  0.00           H   new
ATOM      0 HD11 ILE A  50       4.216  -5.933   0.630  1.00  0.00           H   new
ATOM      0 HD12 ILE A  50       3.966  -4.495   1.647  1.00  0.00           H   new
ATOM      0 HD13 ILE A  50       5.281  -4.519   0.449  1.00  0.00           H   new
ATOM    826  N   ASP A  51       9.041  -2.884   3.385  1.00  0.00           N
ATOM    827  CA  ASP A  51       9.785  -1.800   4.117  1.00  0.00           C
ATOM    828  C   ASP A  51      10.703  -1.041   3.145  1.00  0.00           C
ATOM    829  O   ASP A  51      10.827   0.167   3.227  1.00  0.00           O
ATOM    830  CB  ASP A  51      10.615  -2.499   5.205  1.00  0.00           C
ATOM    831  CG  ASP A  51      11.203  -1.452   6.154  1.00  0.00           C
ATOM    832  OD1 ASP A  51      11.562  -0.388   5.679  1.00  0.00           O
ATOM    833  OD2 ASP A  51      11.283  -1.734   7.338  1.00  0.00           O
ATOM      0  H   ASP A  51       9.456  -3.814   3.442  1.00  0.00           H   new
ATOM      0  HA  ASP A  51       9.100  -1.074   4.555  1.00  0.00           H   new
ATOM      0  HB2 ASP A  51       9.990  -3.198   5.761  1.00  0.00           H   new
ATOM      0  HB3 ASP A  51      11.416  -3.081   4.748  1.00  0.00           H   new
ATOM    838  N   LYS A  52      11.343  -1.731   2.221  1.00  0.00           N
ATOM    839  CA  LYS A  52      12.244  -1.012   1.247  1.00  0.00           C
ATOM    840  C   LYS A  52      11.418  -0.047   0.380  1.00  0.00           C
ATOM    841  O   LYS A  52      11.864   1.041   0.069  1.00  0.00           O
ATOM    842  CB  LYS A  52      12.897  -2.089   0.365  1.00  0.00           C
ATOM    843  CG  LYS A  52      14.281  -1.615  -0.086  1.00  0.00           C
ATOM    844  CD  LYS A  52      14.173  -0.916  -1.448  1.00  0.00           C
ATOM    845  CE  LYS A  52      14.267   0.603  -1.261  1.00  0.00           C
ATOM    846  NZ  LYS A  52      13.208   1.166  -2.146  1.00  0.00           N
ATOM      0  H   LYS A  52      11.284  -2.742   2.099  1.00  0.00           H   new
ATOM      0  HA  LYS A  52      13.000  -0.427   1.771  1.00  0.00           H   new
ATOM      0  HB2 LYS A  52      12.985  -3.023   0.920  1.00  0.00           H   new
ATOM      0  HB3 LYS A  52      12.270  -2.291  -0.503  1.00  0.00           H   new
ATOM      0  HG2 LYS A  52      14.699  -0.931   0.652  1.00  0.00           H   new
ATOM      0  HG3 LYS A  52      14.961  -2.464  -0.156  1.00  0.00           H   new
ATOM      0  HD2 LYS A  52      14.969  -1.260  -2.108  1.00  0.00           H   new
ATOM      0  HD3 LYS A  52      13.228  -1.175  -1.926  1.00  0.00           H   new
ATOM      0  HE2 LYS A  52      14.103   0.884  -0.221  1.00  0.00           H   new
ATOM      0  HE3 LYS A  52      15.253   0.975  -1.539  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  52      13.491   2.114  -2.466  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  52      13.080   0.546  -2.971  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  52      12.314   1.230  -1.619  1.00  0.00           H   new
ATOM    860  N   THR A  53      10.215  -0.428  -0.011  1.00  0.00           N
ATOM    861  CA  THR A  53       9.378   0.497  -0.857  1.00  0.00           C
ATOM    862  C   THR A  53       8.759   1.604   0.015  1.00  0.00           C
ATOM    863  O   THR A  53       8.630   2.732  -0.422  1.00  0.00           O
ATOM    864  CB  THR A  53       8.271  -0.366  -1.492  1.00  0.00           C
ATOM    865  OG1 THR A  53       8.850  -1.464  -2.206  1.00  0.00           O
ATOM    866  CG2 THR A  53       7.431   0.498  -2.443  1.00  0.00           C
ATOM      0  H   THR A  53       9.783  -1.324   0.215  1.00  0.00           H   new
ATOM      0  HA  THR A  53       9.983   0.983  -1.622  1.00  0.00           H   new
ATOM      0  HB  THR A  53       7.629  -0.763  -0.705  1.00  0.00           H   new
ATOM      0  HG1 THR A  53       8.690  -2.296  -1.713  1.00  0.00           H   new
ATOM      0 HG21 THR A  53       6.648  -0.112  -2.893  1.00  0.00           H   new
ATOM      0 HG22 THR A  53       6.978   1.318  -1.885  1.00  0.00           H   new
ATOM      0 HG23 THR A  53       8.071   0.903  -3.227  1.00  0.00           H   new