USER  MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=5
USER  MOD reduce.3.24.130724 removed 221 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A   4 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   6 MET CE  :methyl -106:sc=   -5.33!  (180deg=-10.5!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 ASN     :      amide:sc=  -0.339  K(o=-0.34,f=-3.2!)
USER  MOD Single : A  12 SER OG  :   rot   68:sc=    0.95
USER  MOD Single : A  13 ASN     :      amide:sc=  -0.486  K(o=-0.49,f=-1.2)
USER  MOD Single : A  16 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot -115:sc=   -4.37!
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     35  N   LYS A   4      -5.216   1.758   4.389  1.00  0.00           N
ATOM     36  CA  LYS A   4      -4.073   1.707   5.339  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.268   0.427   5.104  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.712  -0.480   4.428  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.713   1.700   6.726  1.00  0.00           C
ATOM     40  CG  LYS A   4      -4.057   2.771   7.598  1.00  0.00           C
ATOM     41  CD  LYS A   4      -2.972   2.127   8.462  1.00  0.00           C
ATOM     42  CE  LYS A   4      -3.535   1.829   9.855  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -2.946   2.869  10.744  1.00  0.00           N
ATOM      0  HA  LYS A   4      -3.386   2.545   5.219  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -5.784   1.888   6.645  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.596   0.719   7.187  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -3.624   3.551   6.972  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -4.805   3.249   8.230  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -2.620   1.206   7.996  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -2.113   2.793   8.541  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -4.624   1.878   9.859  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -3.260   0.827  10.185  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -3.287   2.728  11.716  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -1.909   2.794  10.727  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -3.230   3.812  10.411  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -2.083   0.349   5.641  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.251  -0.866   5.430  1.00  0.00           C
ATOM     59  C   PHE A   5      -2.049  -2.135   5.725  1.00  0.00           C
ATOM     60  O   PHE A   5      -2.923  -2.152   6.567  1.00  0.00           O
ATOM     61  CB  PHE A   5      -0.089  -0.737   6.415  1.00  0.00           C
ATOM     62  CG  PHE A   5       0.912  -1.848   6.177  1.00  0.00           C
ATOM     63  CD1 PHE A   5       1.105  -2.367   4.888  1.00  0.00           C
ATOM     64  CD2 PHE A   5       1.657  -2.355   7.248  1.00  0.00           C
ATOM     65  CE1 PHE A   5       2.040  -3.388   4.677  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.589  -3.377   7.035  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.781  -3.892   5.748  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.655   1.074   6.217  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.912  -0.940   4.397  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.395   0.232   6.296  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.461  -0.784   7.438  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5       0.533  -1.979   4.058  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       1.512  -1.956   8.241  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       2.188  -3.786   3.684  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       3.160  -3.768   7.864  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.502  -4.679   5.583  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.732  -3.196   5.036  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.424  -4.500   5.247  1.00  0.00           C
ATOM     79  C   MET A   6      -3.813  -4.500   4.607  1.00  0.00           C
ATOM     80  O   MET A   6      -4.501  -5.503   4.604  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.521  -4.696   6.764  1.00  0.00           C
ATOM     82  CG  MET A   6      -1.176  -4.365   7.416  1.00  0.00           C
ATOM     83  SD  MET A   6      -0.435  -5.884   8.064  1.00  0.00           S
ATOM     84  CE  MET A   6       1.004  -5.119   8.847  1.00  0.00           C
ATOM      0  H   MET A   6      -1.006  -3.215   4.320  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -1.871  -5.314   4.778  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -3.302  -4.055   7.174  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -2.802  -5.725   6.990  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -0.509  -3.904   6.687  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -1.317  -3.643   8.221  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       1.894  -5.327   8.254  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       0.854  -4.041   8.910  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       1.133  -5.527   9.850  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.236  -3.397   4.058  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.582  -3.367   3.418  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.570  -4.201   2.135  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.685  -4.071   1.309  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.846  -1.898   3.100  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.559  -1.263   4.247  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -6.340  -1.544   5.552  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.598  -0.248   4.216  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -7.184  -0.762   6.322  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.974   0.050   5.543  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.244   0.437   3.173  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.954   0.991   5.833  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.236   1.392   3.459  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.589   1.670   4.788  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.714  -2.521   4.024  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.355  -3.783   4.065  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.905  -1.381   2.911  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.445  -1.813   2.193  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.625  -2.260   5.930  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -7.216  -0.785   7.341  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.978   0.229   2.147  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -9.224   1.197   6.858  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.728   1.914   2.652  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.349   2.406   5.004  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.541  -5.059   1.965  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.582  -5.901   0.736  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.938  -5.042  -0.479  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.844  -4.234  -0.443  1.00  0.00           O
ATOM    122  CB  LYS A   8      -7.660  -6.953   0.999  1.00  0.00           C
ATOM    123  CG  LYS A   8      -9.019  -6.275   1.176  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.991  -6.793   0.114  1.00  0.00           C
ATOM    125  CE  LYS A   8      -9.924  -8.322   0.062  1.00  0.00           C
ATOM    126  NZ  LYS A   8     -11.232  -8.754  -0.510  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.305  -5.212   2.623  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.619  -6.365   0.522  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -7.702  -7.659   0.169  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -7.411  -7.526   1.892  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -9.411  -6.478   2.173  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -8.912  -5.194   1.089  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8     -11.006  -6.471   0.347  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -9.739  -6.374  -0.860  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      -9.093  -8.658  -0.558  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -9.771  -8.743   1.056  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8     -11.257  -9.792  -0.575  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8     -12.005  -8.427   0.105  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8     -11.348  -8.345  -1.459  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.210  -5.197  -1.547  1.00  0.00           N
ATOM    141  CA  CYS A   9      -6.470  -4.381  -2.764  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.394  -5.253  -4.017  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.442  -6.466  -3.948  1.00  0.00           O
ATOM    144  CB  CYS A   9      -5.361  -3.320  -2.784  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.857  -3.952  -1.993  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.439  -5.860  -1.630  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -7.463  -3.932  -2.748  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -5.144  -3.033  -3.813  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -5.700  -2.422  -2.267  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.282  -4.641  -5.162  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.211  -5.427  -6.427  1.00  0.00           C
ATOM    152  C   LYS A  10      -4.813  -5.334  -7.047  1.00  0.00           C
ATOM    153  O   LYS A  10      -4.308  -6.289  -7.602  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.245  -4.783  -7.349  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.722  -3.431  -7.840  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.842  -2.683  -8.565  1.00  0.00           C
ATOM    157  CE  LYS A  10      -8.826  -2.116  -7.540  1.00  0.00           C
ATOM    158  NZ  LYS A  10     -10.175  -2.419  -8.095  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.236  -3.629  -5.278  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.408  -6.486  -6.259  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -7.447  -5.436  -8.198  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.187  -4.649  -6.818  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -6.362  -2.841  -6.997  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -5.875  -3.578  -8.511  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -7.424  -1.877  -9.168  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -8.360  -3.356  -9.248  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -8.688  -2.578  -6.562  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -8.685  -1.043  -7.408  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10     -10.905  -2.060  -7.447  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10     -10.280  -1.961  -9.023  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10     -10.283  -3.448  -8.203  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.189  -4.194  -6.967  1.00  0.00           N
ATOM    173  CA  ASN A  11      -2.829  -4.052  -7.565  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.175  -2.744  -7.119  1.00  0.00           C
ATOM    175  O   ASN A  11      -0.997  -2.696  -6.823  1.00  0.00           O
ATOM    176  CB  ASN A  11      -3.067  -4.038  -9.073  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.232  -5.136  -9.730  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.704  -5.998  -9.057  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -2.087  -5.141 -11.027  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.557  -3.356  -6.516  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.161  -4.856  -7.256  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -4.125  -4.193  -9.287  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -2.798  -3.066  -9.486  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -1.530  -5.869 -11.475  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -2.530  -4.417 -11.593  1.00  0.00           H   new
ATOM    186  N   SER A  12      -2.928  -1.685  -7.074  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.353  -0.381  -6.652  1.00  0.00           C
ATOM    188  C   SER A  12      -3.371   0.743  -6.862  1.00  0.00           C
ATOM    189  O   SER A  12      -3.015   1.870  -7.145  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.133  -0.176  -7.547  1.00  0.00           C
ATOM    191  OG  SER A  12       0.049  -0.342  -6.776  1.00  0.00           O
ATOM      0  H   SER A  12      -3.920  -1.666  -7.312  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -2.088  -0.372  -5.595  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -1.147  -0.891  -8.370  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.155   0.820  -7.989  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.133  -1.280  -6.503  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.634   0.447  -6.719  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.672   1.501  -6.903  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.379   1.775  -5.573  1.00  0.00           C
ATOM    200  O   ASN A  13      -7.346   2.508  -5.510  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.651   0.923  -7.926  1.00  0.00           C
ATOM    202  CG  ASN A  13      -7.669   1.994  -8.320  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -8.693   2.139  -7.683  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -7.428   2.757  -9.351  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.992  -0.478  -6.483  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -5.249   2.447  -7.241  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -6.111   0.578  -8.808  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -7.163   0.057  -7.506  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -8.100   3.475  -9.622  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -6.568   2.635  -9.886  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.902   1.188  -4.507  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.545   1.411  -3.179  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.493   1.777  -2.126  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.820   2.145  -1.016  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.206   0.076  -2.832  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.232  -0.283  -3.907  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -9.290   0.322  -3.916  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -7.940  -1.160  -4.705  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.095   0.564  -4.499  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.262   2.231  -3.204  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.451  -0.707  -2.759  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -7.692   0.141  -1.859  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.233   1.672  -2.457  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.170   2.005  -1.469  1.00  0.00           C
ATOM    225  C   CYS A  15      -2.968   3.520  -1.379  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.261   4.253  -2.302  1.00  0.00           O
ATOM    227  CB  CYS A  15      -1.911   1.338  -2.019  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.276  -0.384  -2.439  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.896   1.369  -3.371  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.422   1.663  -0.465  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.559   1.872  -2.902  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.111   1.382  -1.280  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.451   3.989  -0.274  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.210   5.457  -0.126  1.00  0.00           C
ATOM    235  C   CYS A  16      -0.834   5.824  -0.680  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.044   4.967  -1.024  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.260   5.737   1.372  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.538   6.973   1.723  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.185   3.422   0.531  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -2.950   6.042  -0.672  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -2.472   4.817   1.916  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.290   6.095   1.717  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -3.577   7.206   3.001  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.535   7.090  -0.760  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.791   7.505  -1.283  1.00  0.00           C
ATOM    245  C   LYS A  17       1.889   6.718  -0.571  1.00  0.00           C
ATOM    246  O   LYS A  17       1.725   6.289   0.554  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.901   8.995  -0.968  1.00  0.00           C
ATOM    248  CG  LYS A  17       2.133   9.570  -1.668  1.00  0.00           C
ATOM    249  CD  LYS A  17       2.538  10.884  -0.996  1.00  0.00           C
ATOM    250  CE  LYS A  17       4.019  11.158  -1.269  1.00  0.00           C
ATOM    251  NZ  LYS A  17       4.296  12.460  -0.602  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.153   7.854  -0.485  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.897   7.316  -2.351  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17       0.003   9.516  -1.301  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.977   9.146   0.109  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       2.956   8.857  -1.621  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       1.918   9.740  -2.723  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       1.929  11.703  -1.377  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       2.359  10.827   0.078  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       4.649  10.365  -0.865  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       4.220  11.211  -2.339  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       5.294  12.718  -0.744  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       3.687  13.196  -1.012  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       4.102  12.377   0.416  1.00  0.00           H   new
ATOM    265  N   ASP A  18       3.003   6.511  -1.214  1.00  0.00           N
ATOM    266  CA  ASP A  18       4.096   5.738  -0.564  1.00  0.00           C
ATOM    267  C   ASP A  18       3.574   4.358  -0.155  1.00  0.00           C
ATOM    268  O   ASP A  18       4.173   3.662   0.641  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.488   6.558   0.667  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.537   7.600   0.275  1.00  0.00           C
ATOM    271  OD1 ASP A  18       5.485   8.071  -0.850  1.00  0.00           O
ATOM    272  OD2 ASP A  18       6.374   7.911   1.106  1.00  0.00           O
ATOM      0  H   ASP A  18       3.204   6.842  -2.158  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.948   5.578  -1.224  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.609   7.050   1.084  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.884   5.902   1.443  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.457   3.959  -0.706  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.880   2.626  -0.370  1.00  0.00           C
ATOM    279  C   LEU A  19       1.411   1.941  -1.655  1.00  0.00           C
ATOM    280  O   LEU A  19       0.856   2.569  -2.535  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.692   2.920   0.550  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.460   1.728   1.480  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.681   1.539   2.382  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.769   1.988   2.353  1.00  0.00           C
ATOM      0  H   LEU A  19       1.917   4.504  -1.378  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.601   1.965   0.111  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.885   3.819   1.135  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.202   3.112  -0.043  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.301   0.832   0.880  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.516   0.690   3.045  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.562   1.354   1.768  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.836   2.439   2.977  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.932   1.137   3.015  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.608   2.886   2.950  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.644   2.126   1.718  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.636   0.664  -1.780  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.208  -0.042  -3.022  1.00  0.00           C
ATOM    298  C   VAL A  20       0.761  -1.468  -2.706  1.00  0.00           C
ATOM    299  O   VAL A  20       1.254  -2.094  -1.791  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.446  -0.064  -3.913  1.00  0.00           C
ATOM    301  CG1 VAL A  20       2.700   1.336  -4.471  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.659  -0.516  -3.094  1.00  0.00           C
ATOM      0  H   VAL A  20       2.095   0.080  -1.081  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.364   0.455  -3.499  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.286  -0.759  -4.737  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.585   1.319  -5.107  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       1.838   1.656  -5.056  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       2.859   2.033  -3.648  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.543  -0.531  -3.731  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.819   0.177  -2.268  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.479  -1.516  -2.699  1.00  0.00           H   new
ATOM    312  N   CYS A  21      -0.163  -1.986  -3.462  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.639  -3.372  -3.209  1.00  0.00           C
ATOM    314  C   CYS A  21       0.461  -4.385  -3.532  1.00  0.00           C
ATOM    315  O   CYS A  21       1.234  -4.204  -4.451  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.831  -3.556  -4.145  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.884  -4.867  -3.497  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.610  -1.509  -4.245  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.910  -3.529  -2.165  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.394  -2.626  -4.226  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.487  -3.809  -5.148  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.537  -5.450  -2.781  1.00  0.00           N
ATOM    323  CA  SER A  22       1.589  -6.471  -3.047  1.00  0.00           C
ATOM    324  C   SER A  22       1.037  -7.879  -2.818  1.00  0.00           C
ATOM    325  O   SER A  22       0.518  -8.192  -1.761  1.00  0.00           O
ATOM    326  CB  SER A  22       2.696  -6.167  -2.044  1.00  0.00           C
ATOM    327  OG  SER A  22       3.349  -4.961  -2.417  1.00  0.00           O
ATOM      0  H   SER A  22      -0.082  -5.657  -1.997  1.00  0.00           H   new
ATOM      0  HA  SER A  22       1.945  -6.434  -4.077  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.279  -6.073  -1.042  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       3.412  -6.988  -2.015  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.279  -5.154  -2.659  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.147  -8.728  -3.805  1.00  0.00           N
ATOM    334  CA  SER A  23       0.638 -10.115  -3.664  1.00  0.00           C
ATOM    335  C   SER A  23       1.512 -10.902  -2.683  1.00  0.00           C
ATOM    336  O   SER A  23       1.080 -11.872  -2.093  1.00  0.00           O
ATOM    337  CB  SER A  23       0.733 -10.713  -5.067  1.00  0.00           C
ATOM    338  OG  SER A  23       2.040 -11.237  -5.266  1.00  0.00           O
ATOM      0  H   SER A  23       1.571  -8.514  -4.708  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.380 -10.146  -3.275  1.00  0.00           H   new
ATOM      0  HB2 SER A  23      -0.010 -11.501  -5.190  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       0.516  -9.951  -5.815  1.00  0.00           H   new
ATOM      0  HG  SER A  23       2.104 -11.623  -6.164  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.736 -10.486  -2.501  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.636 -11.204  -1.555  1.00  0.00           C
ATOM    346  C   ARG A  24       3.308 -10.790  -0.124  1.00  0.00           C
ATOM    347  O   ARG A  24       3.229 -11.605   0.774  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.046 -10.753  -1.934  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.028 -11.904  -1.722  1.00  0.00           C
ATOM    350  CD  ARG A  24       7.416 -11.484  -2.205  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.996 -10.702  -1.078  1.00  0.00           N
ATOM    352  CZ  ARG A  24       8.928 -11.228  -0.332  1.00  0.00           C
ATOM    353  NH1 ARG A  24       8.846 -12.481   0.024  1.00  0.00           N
ATOM    354  NH2 ARG A  24       9.941 -10.504   0.056  1.00  0.00           N
ATOM      0  H   ARG A  24       3.151  -9.679  -2.967  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.529 -12.287  -1.612  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.068 -10.430  -2.975  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.339  -9.895  -1.328  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       6.065 -12.175  -0.667  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       5.693 -12.787  -2.267  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       8.031 -12.352  -2.441  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       7.353 -10.882  -3.112  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       7.665  -9.756  -0.890  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       8.054 -13.047  -0.281  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       9.574 -12.894   0.607  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24      10.005  -9.525  -0.224  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      10.669 -10.917   0.639  1.00  0.00           H   new
ATOM    368  N   TRP A  25       3.105  -9.524   0.088  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.765  -9.037   1.452  1.00  0.00           C
ATOM    370  C   TRP A  25       1.257  -9.170   1.678  1.00  0.00           C
ATOM    371  O   TRP A  25       0.777  -9.103   2.790  1.00  0.00           O
ATOM    372  CB  TRP A  25       3.199  -7.577   1.458  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.672  -7.502   1.198  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.240  -7.005   0.075  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.771  -7.933   2.051  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.613  -7.100   0.188  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.988  -7.663   1.383  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.836  -8.525   3.326  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       8.218  -7.963   1.948  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       7.081  -8.831   3.904  1.00  0.00           C
ATOM    381  CH2 TRP A  25       8.271  -8.552   3.214  1.00  0.00           C
ATOM      0  H   TRP A  25       3.160  -8.800  -0.628  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       3.254  -9.602   2.246  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.654  -7.020   0.696  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.963  -7.119   2.418  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.706  -6.600  -0.772  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.269  -6.790  -0.529  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.925  -8.745   3.863  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       9.130  -7.743   1.413  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       7.122  -9.283   4.884  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       9.225  -8.792   3.660  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.514  -9.386   0.620  1.00  0.00           N
ATOM    393  CA  LYS A  26      -0.963  -9.559   0.743  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.666  -8.232   1.075  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.725  -8.229   1.668  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.131 -10.609   1.866  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.594  -9.959   3.181  1.00  0.00           C
ATOM    398  CD  LYS A  26      -0.881 -10.596   4.376  1.00  0.00           C
ATOM    399  CE  LYS A  26      -0.835 -12.118   4.214  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -0.108 -12.611   5.417  1.00  0.00           N
ATOM      0  H   LYS A  26       0.874  -9.450  -0.332  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.423  -9.884  -0.190  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -1.856 -11.362   1.556  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.185 -11.125   2.028  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.389  -8.889   3.156  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.672 -10.074   3.290  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26       0.132 -10.201   4.458  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.400 -10.337   5.299  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -1.839 -12.540   4.159  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      -0.319 -12.402   3.297  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -0.036 -13.648   5.378  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26       0.846 -12.198   5.439  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -0.626 -12.332   6.274  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.107  -7.110   0.702  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.792  -5.825   1.022  1.00  0.00           C
ATOM    416  C   TRP A  27      -0.994  -4.615   0.520  1.00  0.00           C
ATOM    417  O   TRP A  27       0.105  -4.743   0.020  1.00  0.00           O
ATOM    418  CB  TRP A  27      -1.909  -5.798   2.556  1.00  0.00           C
ATOM    419  CG  TRP A  27      -0.569  -6.041   3.194  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.577  -5.432   2.841  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.232  -6.909   4.322  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.605  -5.899   3.641  1.00  0.00           N
ATOM    423  CE2 TRP A  27       1.156  -6.802   4.568  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -0.979  -7.777   5.136  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.780  -7.523   5.578  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -0.352  -8.505   6.163  1.00  0.00           C
ATOM    427  CH2 TRP A  27       1.026  -8.380   6.382  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.223  -7.028   0.199  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.764  -5.765   0.532  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.302  -4.834   2.879  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -2.618  -6.558   2.885  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.679  -4.696   2.058  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.578  -5.607   3.551  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.041  -7.886   4.972  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.843  -7.421   5.741  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -0.937  -9.165   6.787  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       1.503  -8.944   7.170  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.548  -3.434   0.664  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.833  -2.200   0.212  1.00  0.00           C
ATOM    440  C   CYS A  28       0.444  -2.006   1.034  1.00  0.00           C
ATOM    441  O   CYS A  28       0.427  -1.405   2.088  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.823  -1.059   0.470  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.140  -1.120  -0.769  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.467  -3.272   1.076  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.532  -2.248  -0.834  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.245  -1.148   1.471  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.309  -0.099   0.425  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.551  -2.518   0.566  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.824  -2.376   1.335  1.00  0.00           C
ATOM    450  C   VAL A  29       3.445  -1.000   1.137  1.00  0.00           C
ATOM    451  O   VAL A  29       3.341  -0.397   0.087  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.760  -3.438   0.780  1.00  0.00           C
ATOM    453  CG1 VAL A  29       3.122  -4.812   0.942  1.00  0.00           C
ATOM    454  CG2 VAL A  29       4.025  -3.168  -0.704  1.00  0.00           C
ATOM      0  H   VAL A  29       1.630  -3.028  -0.314  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.643  -2.493   2.403  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.703  -3.408   1.325  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.793  -5.574   0.544  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       2.939  -5.006   1.999  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       2.177  -4.841   0.399  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.696  -3.931  -1.098  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       3.083  -3.194  -1.252  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.484  -2.186  -0.819  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.100  -0.505   2.149  1.00  0.00           N
ATOM    465  CA  LEU A  30       4.749   0.829   2.042  1.00  0.00           C
ATOM    466  C   LEU A  30       5.776   0.824   0.910  1.00  0.00           C
ATOM    467  O   LEU A  30       6.675   0.006   0.880  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.437   1.050   3.392  1.00  0.00           C
ATOM    469  CG  LEU A  30       6.313  -0.160   3.733  1.00  0.00           C
ATOM    470  CD1 LEU A  30       7.768   0.145   3.373  1.00  0.00           C
ATOM    471  CD2 LEU A  30       6.210  -0.454   5.231  1.00  0.00           C
ATOM      0  H   LEU A  30       4.214  -0.970   3.050  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.033   1.620   1.819  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.046   1.953   3.356  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       4.690   1.200   4.171  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       5.973  -1.027   3.166  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       8.391  -0.716   3.616  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       7.842   0.357   2.306  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       8.109   1.011   3.940  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       6.832  -1.315   5.477  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       6.551   0.413   5.796  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       5.173  -0.671   5.489  1.00  0.00           H   new