USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18
USER  MOD reduce.3.24.130724 removed 586 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 LYS NZ  :NH3+   -162:sc=   0.147   (180deg=0)
USER  MOD Set 1.2: A  12 THR OG1 :   rot  180:sc=    0.14
USER  MOD Set 2.1: A   7 THR OG1 :   rot  170:sc=   0.353
USER  MOD Set 2.2: A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   1 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A   1 MET N   :NH3+    149:sc=    1.22   (180deg=1.04)
USER  MOD Single : A   2 GLN     :      amide:sc=-0.00135  X(o=-0.0013,f=-0.42)
USER  MOD Single : A  11 LYS NZ  :NH3+    163:sc=    1.18   (180deg=0.947)
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=   -1.14  K(o=-1.1,f=-1.7!)
USER  MOD Single : A  27 LYS NZ  :NH3+   -166:sc=    1.52   (180deg=1.18)
USER  MOD Single : A  29 LYS NZ  :NH3+   -172:sc=       0   (180deg=-0.037)
USER  MOD Single : A  31 GLN     :      amide:sc= -0.0615  K(o=-0.061,f=-2.4!)
USER  MOD Single : A  33 LYS NZ  :NH3+   -169:sc= -0.0478   (180deg=-0.176)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.224  X(o=-0.22,f=-0.22)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.198  K(o=0.2,f=-0.84)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  X(o=0,f=-0.21)
USER  MOD Single : A  55 THR OG1 :   rot  -63:sc=   0.652
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  120:sc=   0.709
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=-0.00051)
USER  MOD Single : A  62 GLN     :      amide:sc=-0.000312  K(o=-0.00031,f=-0.63)
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot   77:sc=    1.21
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HE2:sc=  -0.176  K(o=-0.18,f=-1.6)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.469   0.808  -4.329  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.515   1.680  -3.134  1.00 10.38           C
ATOM      3  C   MET A   1     -11.271   2.479  -2.956  1.00  9.62           C
ATOM      4  O   MET A   1     -10.235   2.174  -3.544  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.971   0.830  -1.936  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.262  -0.457  -1.511  1.00 16.29           C
ATOM      7  SD  MET A   1     -10.512  -0.256  -1.064  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.144  -2.031  -1.181  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.032  -0.049  -4.155  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.859   1.319  -5.147  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.483   0.541  -4.526  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.258   2.469  -3.253  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -12.963   1.489  -1.068  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -14.011   0.563  -2.124  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -12.793  -0.882  -0.659  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -12.333  -1.179  -2.324  1.00 16.29           H   new
ATOM      0  HE1 MET A   1      -9.093  -2.201  -0.946  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.767  -2.579  -0.474  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.351  -2.380  -2.193  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.366   3.587  -2.199  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.293   4.508  -1.987  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.661   4.109  -0.698  1.00  8.72           C
ATOM     23  O   GLN A   2     -10.345   3.935   0.310  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.906   5.911  -1.847  1.00 14.46           C
ATOM     25  CG  GLN A   2     -11.122   6.597  -3.198  1.00 17.01           C
ATOM     26  CD  GLN A   2     -11.900   7.894  -3.021  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -12.830   8.021  -2.226  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -11.501   8.982  -3.732  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.224   3.851  -1.716  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.565   4.507  -2.798  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.860   5.836  -1.325  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2     -10.253   6.529  -1.230  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -10.159   6.805  -3.665  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.664   5.930  -3.868  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -10.732   8.902  -4.397  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -11.971   9.878  -3.600  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.354   3.793  -0.715  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.652   3.600   0.516  1.00  5.07           C
ATOM     39  C   ILE A   3      -6.719   4.750   0.678  1.00  4.01           C
ATOM     40  O   ILE A   3      -6.468   5.478  -0.281  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.874   2.324   0.648  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.831   2.222  -0.477  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.849   1.145   0.805  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.282   0.801  -0.604  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.794   3.673  -1.559  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -8.415   3.534   1.291  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -6.273   2.302   1.557  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.282   2.525  -1.422  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.012   2.913  -0.279  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.285   0.217   0.901  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.459   1.293   1.696  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.495   1.088  -0.071  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.547   0.765  -1.409  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.808   0.509   0.333  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -6.098   0.114  -0.827  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -6.179   4.957   1.892  1.00  4.55           N
ATOM     57  CA  PHE A   4      -5.283   6.060   2.053  1.00  4.68           C
ATOM     58  C   PHE A   4      -3.969   5.429   2.362  1.00  5.30           C
ATOM     59  O   PHE A   4      -3.735   5.148   3.537  1.00  5.58           O
ATOM     60  CB  PHE A   4      -5.875   6.836   3.241  1.00  4.83           C
ATOM     61  CG  PHE A   4      -7.260   7.311   2.968  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -7.640   7.845   1.758  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -8.250   7.053   3.887  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -8.944   8.134   1.434  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -9.561   7.372   3.623  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -9.897   7.896   2.396  1.00  8.90           C
ATOM      0  H   PHE A   4      -6.350   4.393   2.724  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -5.156   6.734   1.206  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -5.879   6.197   4.124  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -5.238   7.691   3.469  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -6.873   8.048   1.025  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -7.994   6.593   4.830  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -9.209   8.531   0.465  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4     -10.321   7.212   4.373  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4     -10.931   8.125   2.184  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -2.984   5.381   1.447  1.00  4.44           N
ATOM     77  CA  VAL A   5      -1.629   5.043   1.756  1.00  3.87           C
ATOM     78  C   VAL A   5      -0.895   6.269   2.179  1.00  4.93           C
ATOM     79  O   VAL A   5      -0.751   7.305   1.531  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.801   4.485   0.637  1.00  2.99           C
ATOM     81  CG1 VAL A   5       0.545   3.976   1.181  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.505   3.288  -0.023  1.00  9.13           C
ATOM      0  H   VAL A   5      -3.136   5.584   0.459  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -1.738   4.271   2.518  1.00  3.87           H   new
ATOM      0  HB  VAL A   5      -0.655   5.284  -0.090  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.140   3.573   0.361  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.084   4.800   1.649  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.367   3.194   1.919  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.884   2.901  -0.831  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.664   2.505   0.719  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.466   3.608  -0.425  1.00  9.13           H   new
ATOM     92  N   LYS A   6      -0.300   6.178   3.381  1.00  6.04           N
ATOM     93  CA  LYS A   6       0.342   7.286   4.018  1.00  6.12           C
ATOM     94  C   LYS A   6       1.814   7.071   3.925  1.00  6.57           C
ATOM     95  O   LYS A   6       2.317   5.978   4.176  1.00  5.76           O
ATOM     96  CB  LYS A   6       0.088   7.391   5.531  1.00  7.45           C
ATOM     97  CG  LYS A   6      -1.251   7.986   5.971  1.00 11.12           C
ATOM     98  CD  LYS A   6      -1.704   9.311   5.354  1.00 14.54           C
ATOM     99  CE  LYS A   6      -1.132  10.633   5.870  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -2.106  11.746   5.837  1.00 20.55           N
ATOM      0  H   LYS A   6      -0.264   5.315   3.923  1.00  6.04           H   new
ATOM      0  HA  LYS A   6      -0.048   8.174   3.521  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.172   6.392   5.959  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       0.886   7.992   5.967  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6      -2.025   7.245   5.768  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6      -1.214   8.120   7.052  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -1.490   9.261   4.286  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6      -2.788   9.364   5.460  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -0.783  10.495   6.894  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -0.262  10.903   5.271  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -1.600  12.652   5.900  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -2.643  11.711   4.947  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6      -2.761  11.658   6.640  1.00 20.55           H   new
ATOM    114  N   THR A   7       2.522   8.152   3.551  1.00  7.41           N
ATOM    115  CA  THR A   7       3.946   8.289   3.562  1.00  7.48           C
ATOM    116  C   THR A   7       4.477   8.496   4.938  1.00  8.75           C
ATOM    117  O   THR A   7       3.775   8.872   5.876  1.00  8.58           O
ATOM    118  CB  THR A   7       4.354   9.273   2.507  1.00  9.61           C
ATOM    119  OG1 THR A   7       3.944  10.618   2.706  1.00 11.78           O
ATOM    120  CG2 THR A   7       3.638   8.880   1.204  1.00  9.17           C
ATOM      0  H   THR A   7       2.060   8.997   3.214  1.00  7.41           H   new
ATOM      0  HA  THR A   7       4.435   7.357   3.279  1.00  7.48           H   new
ATOM      0  HB  THR A   7       5.443   9.236   2.511  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       4.393  11.197   2.055  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       3.913   9.578   0.413  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       3.933   7.871   0.917  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       2.559   8.913   1.357  1.00  9.17           H   new
ATOM    128  N   LEU A   8       5.778   8.267   5.192  1.00  9.84           N
ATOM    129  CA  LEU A   8       6.439   8.485   6.441  1.00 14.15           C
ATOM    130  C   LEU A   8       6.400   9.883   6.955  1.00 17.37           C
ATOM    131  O   LEU A   8       6.181  10.104   8.145  1.00 17.01           O
ATOM    132  CB  LEU A   8       7.852   7.918   6.221  1.00 16.63           C
ATOM    133  CG  LEU A   8       8.607   7.772   7.553  1.00 18.88           C
ATOM    134  CD1 LEU A   8       7.981   6.720   8.484  1.00 18.59           C
ATOM    135  CD2 LEU A   8      10.077   7.348   7.400  1.00 19.31           C
ATOM      0  H   LEU A   8       6.409   7.906   4.477  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       5.918   7.980   7.254  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       7.785   6.947   5.730  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       8.410   8.575   5.554  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       8.539   8.776   7.971  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       8.557   6.662   9.407  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       6.954   7.003   8.714  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       7.987   5.748   7.991  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      10.537   7.268   8.385  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      10.127   6.382   6.897  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      10.611   8.093   6.810  1.00 19.31           H   new
ATOM    147  N   THR A   9       6.515  10.862   6.040  1.00 18.33           N
ATOM    148  CA  THR A   9       6.263  12.227   6.386  1.00 19.24           C
ATOM    149  C   THR A   9       4.843  12.546   6.705  1.00 19.48           C
ATOM    150  O   THR A   9       4.426  12.835   7.825  1.00 23.14           O
ATOM    151  CB  THR A   9       6.837  13.101   5.311  1.00 18.97           C
ATOM    152  OG1 THR A   9       6.530  12.902   3.939  1.00 20.24           O
ATOM    153  CG2 THR A   9       8.363  12.966   5.444  1.00 19.70           C
ATOM      0  H   THR A   9       6.781  10.711   5.067  1.00 18.33           H   new
ATOM      0  HA  THR A   9       6.764  12.427   7.333  1.00 19.24           H   new
ATOM      0  HB  THR A   9       6.369  14.066   5.505  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       6.999  13.572   3.398  1.00 20.24           H   new
ATOM      0 HG21 THR A   9       8.850  13.580   4.687  1.00 19.70           H   new
ATOM      0 HG22 THR A   9       8.673  13.298   6.435  1.00 19.70           H   new
ATOM      0 HG23 THR A   9       8.650  11.924   5.305  1.00 19.70           H   new
ATOM    161  N   GLY A  10       3.931  12.424   5.724  1.00 19.43           N
ATOM    162  CA  GLY A  10       2.515  12.575   5.853  1.00 18.74           C
ATOM    163  C   GLY A  10       2.021  13.294   4.645  1.00 17.62           C
ATOM    164  O   GLY A  10       1.494  14.394   4.800  1.00 19.74           O
ATOM      0  H   GLY A  10       4.207  12.203   4.767  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       2.034  11.601   5.941  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       2.271  13.134   6.756  1.00 18.74           H   new
ATOM    168  N   LYS A  11       2.005  12.640   3.469  1.00 13.56           N
ATOM    169  CA  LYS A  11       0.987  12.924   2.506  1.00 11.91           C
ATOM    170  C   LYS A  11      -0.076  11.883   2.427  1.00 10.18           C
ATOM    171  O   LYS A  11       0.152  10.726   2.777  1.00  9.10           O
ATOM    172  CB  LYS A  11       1.569  13.074   1.091  1.00 13.43           C
ATOM    173  CG  LYS A  11       1.903  11.814   0.289  1.00 16.69           C
ATOM    174  CD  LYS A  11       2.595  12.101  -1.045  1.00 17.92           C
ATOM    175  CE  LYS A  11       1.707  12.607  -2.184  1.00 20.81           C
ATOM    176  NZ  LYS A  11       2.489  12.823  -3.422  1.00 21.93           N
ATOM      0  H   LYS A  11       2.681  11.930   3.189  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       0.547  13.858   2.856  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       0.861  13.660   0.504  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       2.482  13.665   1.171  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       2.545  11.170   0.890  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       0.984  11.260   0.100  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       3.378  12.839  -0.870  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       3.087  11.187  -1.377  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       0.912  11.887  -2.375  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       1.228  13.540  -1.887  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       1.843  12.883  -4.235  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       3.028  13.709  -3.342  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       3.147  12.029  -3.560  1.00 21.93           H   new
ATOM    190  N   THR A  12      -1.294  12.107   1.901  1.00  9.63           N
ATOM    191  CA  THR A  12      -2.294  11.136   1.583  1.00  9.85           C
ATOM    192  C   THR A  12      -2.049  10.746   0.166  1.00 11.66           C
ATOM    193  O   THR A  12      -2.264  11.549  -0.741  1.00 12.33           O
ATOM    194  CB  THR A  12      -3.711  11.582   1.792  1.00 10.85           C
ATOM    195  OG1 THR A  12      -3.940  11.739   3.184  1.00 10.91           O
ATOM    196  CG2 THR A  12      -4.767  10.597   1.262  1.00  9.63           C
ATOM      0  H   THR A  12      -1.604  13.053   1.679  1.00  9.63           H   new
ATOM      0  HA  THR A  12      -2.199  10.298   2.274  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -3.820  12.512   1.233  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -4.863  12.032   3.333  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -5.764  10.995   1.453  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -4.630  10.459   0.189  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -4.656   9.638   1.768  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -1.756   9.458  -0.089  1.00 10.42           N
ATOM    205  CA  ILE A  13      -1.992   8.896  -1.382  1.00 11.84           C
ATOM    206  C   ILE A  13      -3.296   8.176  -1.333  1.00 10.55           C
ATOM    207  O   ILE A  13      -3.501   7.173  -0.651  1.00 11.92           O
ATOM    208  CB  ILE A  13      -0.932   7.963  -1.887  1.00 14.86           C
ATOM    209  CG1 ILE A  13       0.452   8.486  -1.467  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -1.161   7.824  -3.401  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.567   7.495  -1.800  1.00 16.46           C
ATOM      0  H   ILE A  13      -1.360   8.811   0.593  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -1.988   9.729  -2.085  1.00 11.84           H   new
ATOM      0  HB  ILE A  13      -0.983   6.963  -1.457  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       0.648   9.434  -1.968  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       0.454   8.686  -0.396  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13      -0.413   7.152  -3.822  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -2.156   7.419  -3.583  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -1.076   8.803  -3.873  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       2.526   7.907  -1.485  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       1.387   6.555  -1.278  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       1.585   7.315  -2.875  1.00 16.46           H   new
ATOM    223  N   THR A  14      -4.180   8.693  -2.205  1.00  9.39           N
ATOM    224  CA  THR A  14      -5.493   8.158  -2.394  1.00  9.63           C
ATOM    225  C   THR A  14      -5.435   7.299  -3.610  1.00 11.20           C
ATOM    226  O   THR A  14      -5.516   7.753  -4.750  1.00 11.63           O
ATOM    227  CB  THR A  14      -6.542   9.188  -2.689  1.00 10.38           C
ATOM    228  OG1 THR A  14      -6.627  10.177  -1.674  1.00 16.30           O
ATOM    229  CG2 THR A  14      -7.897   8.466  -2.788  1.00 11.66           C
ATOM      0  H   THR A  14      -3.978   9.502  -2.793  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -5.763   7.649  -1.469  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -6.278   9.692  -3.619  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -7.321  10.828  -1.909  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -8.681   9.192  -3.002  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.858   7.727  -3.588  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -8.113   7.967  -1.843  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.518   5.986  -3.331  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.548   4.897  -4.258  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.866   4.220  -4.418  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.343   3.509  -3.535  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.555   3.764  -3.946  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.062   4.131  -3.929  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.231   2.879  -3.598  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.633   4.665  -5.306  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.569   5.658  -2.366  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -5.280   5.425  -5.173  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.812   3.346  -2.973  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.701   2.973  -4.681  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.896   4.900  -3.175  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.172   3.138  -3.586  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.523   2.497  -2.620  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.409   2.114  -4.354  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.574   4.922  -5.283  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.804   3.899  -6.063  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -3.216   5.553  -5.550  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -7.376   4.324  -5.658  1.00 11.04           N
ATOM    257  CA  GLU A  16      -8.494   3.509  -6.019  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.043   2.122  -6.323  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.458   1.921  -7.385  1.00  9.83           O
ATOM    260  CB  GLU A  16      -9.284   4.027  -7.232  1.00 17.22           C
ATOM    261  CG  GLU A  16     -10.269   5.110  -6.787  1.00 23.33           C
ATOM    262  CD  GLU A  16     -10.855   5.979  -7.891  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -10.887   5.498  -9.055  1.00 28.90           O
ATOM    264  OE2 GLU A  16     -11.329   7.129  -7.691  1.00 28.86           O
ATOM      0  H   GLU A  16      -7.030   4.948  -6.387  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -9.159   3.537  -5.156  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.599   4.430  -7.978  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.822   3.205  -7.704  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16     -11.091   4.629  -6.257  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -9.764   5.759  -6.071  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.416   1.134  -5.489  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.271  -0.254  -5.802  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.532  -0.982  -5.482  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.262  -0.597  -4.570  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.157  -0.957  -5.084  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.820  -0.594  -5.751  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.132  -0.551  -3.600  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.830   1.305  -4.572  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.032  -0.270  -6.865  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.316  -2.034  -5.142  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.006  -1.102  -5.234  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.838  -0.907  -6.795  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.668   0.484  -5.697  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.318  -1.070  -3.094  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -6.981   0.526  -3.520  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.079  -0.820  -3.133  1.00 10.54           H   new
ATOM    287  N   GLU A  18      -9.749  -2.157  -6.099  1.00  7.29           N
ATOM    288  CA  GLU A  18     -10.919  -2.954  -5.901  1.00  7.08           C
ATOM    289  C   GLU A  18     -10.374  -4.193  -5.279  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.292  -4.584  -5.716  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.678  -3.165  -7.221  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.506  -1.973  -7.705  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.518  -2.244  -8.809  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.351  -3.162  -9.655  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -14.513  -1.470  -8.810  1.00 18.17           O
ATOM      0  H   GLU A  18      -9.087  -2.566  -6.758  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.679  -2.501  -5.263  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -10.957  -3.423  -7.997  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.341  -4.022  -7.105  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -13.039  -1.560  -6.849  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.819  -1.202  -8.055  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.146  -4.871  -4.483  1.00  7.24           N
ATOM    303  CA  PRO A  19     -10.491  -5.761  -3.570  1.00  7.07           C
ATOM    304  C   PRO A  19      -9.998  -7.012  -4.212  1.00  6.65           C
ATOM    305  O   PRO A  19      -9.196  -7.658  -3.539  1.00  6.37           O
ATOM    306  CB  PRO A  19     -11.506  -5.968  -2.447  1.00  7.61           C
ATOM    307  CG  PRO A  19     -12.564  -4.860  -2.570  1.00  8.16           C
ATOM    308  CD  PRO A  19     -12.476  -4.466  -4.053  1.00  7.49           C
ATOM      0  HA  PRO A  19      -9.562  -5.345  -3.179  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -11.970  -6.951  -2.526  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -11.016  -5.924  -1.474  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -13.558  -5.220  -2.306  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -12.345  -4.017  -1.914  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.247  -4.966  -4.639  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -12.622  -3.394  -4.184  1.00  7.49           H   new
ATOM    316  N   SER A  20     -10.357  -7.509  -5.409  1.00  6.80           N
ATOM    317  CA  SER A  20      -9.770  -8.588  -6.141  1.00  6.28           C
ATOM    318  C   SER A  20      -8.425  -8.254  -6.689  1.00  8.45           C
ATOM    319  O   SER A  20      -7.644  -9.068  -7.181  1.00  7.26           O
ATOM    320  CB  SER A  20     -10.768  -9.059  -7.212  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.082  -9.154  -6.680  1.00 11.13           O
ATOM      0  H   SER A  20     -11.146  -7.108  -5.917  1.00  6.80           H   new
ATOM      0  HA  SER A  20      -9.577  -9.417  -5.460  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -10.761  -8.363  -8.051  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -10.458 -10.029  -7.600  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -12.698  -9.454  -7.381  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -8.051  -6.963  -6.720  1.00  7.50           N
ATOM    328  CA  ASP A  21      -6.804  -6.528  -7.270  1.00  7.70           C
ATOM    329  C   ASP A  21      -5.770  -6.821  -6.238  1.00  7.08           C
ATOM    330  O   ASP A  21      -6.005  -6.888  -5.032  1.00  8.11           O
ATOM    331  CB  ASP A  21      -6.889  -5.014  -7.526  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.605  -4.775  -8.847  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -7.225  -5.449  -9.842  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -8.590  -3.996  -8.956  1.00 14.36           O
ATOM      0  H   ASP A  21      -8.627  -6.204  -6.355  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -6.564  -7.027  -8.209  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.425  -4.524  -6.713  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -5.889  -4.580  -7.556  1.00 11.00           H   new
ATOM    339  N   THR A  22      -4.529  -7.166  -6.624  1.00  5.37           N
ATOM    340  CA  THR A  22      -3.461  -7.499  -5.733  1.00  6.01           C
ATOM    341  C   THR A  22      -2.761  -6.358  -5.079  1.00  8.01           C
ATOM    342  O   THR A  22      -2.941  -5.190  -5.423  1.00  8.11           O
ATOM    343  CB  THR A  22      -2.506  -8.417  -6.437  1.00  8.92           C
ATOM    344  OG1 THR A  22      -1.849  -7.794  -7.531  1.00 10.22           O
ATOM    345  CG2 THR A  22      -3.141  -9.719  -6.953  1.00  9.65           C
ATOM      0  H   THR A  22      -4.257  -7.215  -7.606  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -3.928  -8.001  -4.885  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -1.787  -8.667  -5.657  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -1.238  -8.434  -7.953  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -2.381 -10.323  -7.448  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -3.559 -10.277  -6.115  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -3.934  -9.481  -7.662  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -1.946  -6.705  -4.067  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.081  -5.795  -3.383  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.052  -5.261  -4.318  1.00 10.01           C
ATOM    356  O   ILE A  23       0.250  -4.073  -4.210  1.00  8.71           O
ATOM    357  CB  ILE A  23      -0.493  -6.496  -2.194  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -1.666  -6.729  -1.226  1.00 11.38           C
ATOM    359  CG2 ILE A  23       0.707  -5.835  -1.495  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -2.462  -5.571  -0.627  1.00 12.30           C
ATOM      0  H   ILE A  23      -1.887  -7.659  -3.711  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -1.636  -4.930  -3.019  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.031  -7.416  -2.553  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -2.381  -7.366  -1.746  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -1.273  -7.307  -0.389  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23       1.025  -6.453  -0.655  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       1.530  -5.734  -2.203  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23       0.418  -4.849  -1.131  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.241  -5.964   0.026  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -1.795  -4.930  -0.051  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -2.919  -4.991  -1.428  1.00 12.30           H   new
ATOM    372  N   GLU A  24       0.562  -6.011  -5.251  1.00  9.54           N
ATOM    373  CA  GLU A  24       1.395  -5.470  -6.279  1.00 11.81           C
ATOM    374  C   GLU A  24       0.751  -4.359  -7.033  1.00 11.14           C
ATOM    375  O   GLU A  24       1.385  -3.360  -7.369  1.00 10.62           O
ATOM    376  CB  GLU A  24       1.786  -6.523  -7.330  1.00 19.24           C
ATOM    377  CG  GLU A  24       3.025  -6.272  -8.192  1.00 27.76           C
ATOM    378  CD  GLU A  24       3.083  -7.417  -9.193  1.00 32.92           C
ATOM    379  OE1 GLU A  24       2.043  -7.915  -9.702  1.00 34.80           O
ATOM    380  OE2 GLU A  24       4.230  -7.897  -9.395  1.00 36.51           O
ATOM      0  H   GLU A  24       0.476  -7.027  -5.291  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       2.269  -5.106  -5.739  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       1.930  -7.471  -6.811  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24       0.937  -6.653  -8.001  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       2.956  -5.311  -8.703  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       3.926  -6.244  -7.580  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -0.557  -4.470  -7.327  1.00  9.43           N
ATOM    388  CA  ASN A  25      -1.334  -3.472  -7.994  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.324  -2.162  -7.284  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.095  -1.121  -7.899  1.00  9.33           O
ATOM    391  CB  ASN A  25      -2.786  -3.928  -8.211  1.00 16.78           C
ATOM    392  CG  ASN A  25      -3.227  -3.420  -9.577  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -2.522  -3.124 -10.540  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.578  -3.347  -9.715  1.00 24.70           N
ATOM      0  H   ASN A  25      -1.100  -5.299  -7.087  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -0.857  -3.332  -8.964  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -2.857  -5.015  -8.165  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.433  -3.533  -7.428  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -4.985  -3.052 -10.603  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -5.184  -3.587  -8.931  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -1.369  -2.193  -5.940  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.307  -1.069  -5.058  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.070  -0.272  -5.288  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.021   0.937  -5.507  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.474  -1.434  -3.613  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.411  -0.159  -2.756  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -2.771  -2.239  -3.429  1.00  8.12           C
ATOM      0  H   VAL A  26      -1.455  -3.073  -5.432  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.165  -0.442  -5.302  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -0.662  -2.079  -3.277  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -1.532  -0.421  -1.705  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -0.447   0.329  -2.900  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.209   0.520  -3.055  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -2.890  -2.503  -2.378  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.621  -1.637  -3.750  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -2.723  -3.148  -4.028  1.00  8.12           H   new
ATOM    417  N   LYS A  27       1.035  -1.034  -5.203  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.372  -0.643  -5.526  1.00  4.14           C
ATOM    419  C   LYS A  27       2.687  -0.120  -6.885  1.00  5.58           C
ATOM    420  O   LYS A  27       3.444   0.841  -7.019  1.00  4.11           O
ATOM    421  CB  LYS A  27       3.297  -1.823  -5.182  1.00  3.97           C
ATOM    422  CG  LYS A  27       3.155  -2.418  -3.780  1.00  7.45           C
ATOM    423  CD  LYS A  27       4.187  -3.524  -3.552  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.525  -4.128  -2.188  1.00 12.90           C
ATOM    425  NZ  LYS A  27       5.724  -4.977  -2.365  1.00 15.47           N
ATOM      0  H   LYS A  27       0.988  -2.001  -4.882  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.531   0.252  -4.925  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       3.121  -2.617  -5.908  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       4.329  -1.496  -5.310  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.284  -1.635  -3.033  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       2.150  -2.820  -3.651  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       3.880  -4.358  -4.183  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       5.127  -3.148  -3.956  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.716  -3.342  -1.457  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.689  -4.718  -1.812  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.845  -5.585  -1.530  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.608  -5.570  -3.211  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       6.563  -4.373  -2.478  1.00 15.47           H   new
ATOM    439  N   ALA A  28       2.051  -0.685  -7.927  1.00  6.61           N
ATOM    440  CA  ALA A  28       2.230  -0.185  -9.255  1.00  7.74           C
ATOM    441  C   ALA A  28       1.595   1.149  -9.452  1.00  9.17           C
ATOM    442  O   ALA A  28       2.060   2.014 -10.192  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.616  -1.160 -10.273  1.00  7.68           C
ATOM      0  H   ALA A  28       1.418  -1.481  -7.852  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       3.305  -0.085  -9.407  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.757  -0.770 -11.281  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       2.104  -2.131 -10.187  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       0.550  -1.271 -10.073  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.482   1.350  -8.724  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.218   2.588  -8.872  1.00  7.90           C
ATOM    451  C   LYS A  29       0.481   3.625  -8.062  1.00  6.92           C
ATOM    452  O   LYS A  29       0.309   4.802  -8.373  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.643   2.355  -8.344  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.524   1.737  -9.432  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.975   1.584  -8.971  1.00 19.69           C
ATOM    456  CE  LYS A  29      -4.827   0.556  -9.718  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -4.803   0.867 -11.165  1.00 24.98           N
ATOM      0  H   LYS A  29       0.080   0.688  -8.061  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.251   2.924  -9.908  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.612   1.697  -7.476  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -2.073   3.300  -8.013  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.490   2.361 -10.325  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.126   0.761  -9.710  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -3.970   1.319  -7.914  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.463   2.555  -9.054  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -4.443  -0.449  -9.543  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -5.851   0.575  -9.346  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -5.485   0.259 -11.662  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.059   1.865 -11.310  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -3.848   0.696 -11.541  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.179   3.273  -6.967  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.201   4.091  -6.393  1.00  5.58           C
ATOM    473  C   ILE A  30       3.329   4.416  -7.311  1.00  7.26           C
ATOM    474  O   ILE A  30       3.811   5.547  -7.347  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.672   3.475  -5.109  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.460   3.611  -4.171  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.827   4.258  -4.462  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.544   2.975  -2.785  1.00  2.00           C
ATOM      0  H   ILE A  30       1.028   2.396  -6.468  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.749   5.062  -6.188  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.026   2.459  -5.285  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.260   4.674  -4.038  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.595   3.186  -4.681  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.126   3.766  -3.536  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.674   4.289  -5.147  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.500   5.275  -4.243  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.615   3.156  -2.245  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.701   1.901  -2.886  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.376   3.413  -2.234  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.841   3.466  -8.114  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.830   3.640  -9.132  1.00  8.67           C
ATOM    492  C   GLN A  31       4.431   4.487 -10.291  1.00 10.90           C
ATOM    493  O   GLN A  31       5.228   5.186 -10.916  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.333   2.279  -9.642  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.457   2.414 -10.671  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.824   1.067 -11.276  1.00 13.78           C
ATOM    497  OE1 GLN A  31       7.460   0.239 -10.626  1.00 14.48           O
ATOM    498  NE2 GLN A  31       6.281   0.856 -12.505  1.00 14.76           N
ATOM      0  H   GLN A  31       3.536   2.495  -8.044  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.626   4.191  -8.632  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.688   1.688  -8.798  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.502   1.732 -10.087  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.147   3.097 -11.462  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.335   2.852 -10.197  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       5.768   1.604 -12.971  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       6.387  -0.050 -12.961  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.127   4.610 -10.596  1.00 10.93           N
ATOM    508  CA  ASP A  32       2.483   5.549 -11.461  1.00 14.01           C
ATOM    509  C   ASP A  32       2.626   6.921 -10.898  1.00 14.04           C
ATOM    510  O   ASP A  32       3.100   7.819 -11.591  1.00 13.39           O
ATOM    511  CB  ASP A  32       0.994   5.215 -11.653  1.00 18.01           C
ATOM    512  CG  ASP A  32       0.343   6.102 -12.705  1.00 24.33           C
ATOM    513  OD1 ASP A  32       0.847   6.282 -13.845  1.00 26.29           O
ATOM    514  OD2 ASP A  32      -0.602   6.816 -12.275  1.00 25.17           O
ATOM      0  H   ASP A  32       2.446   3.972 -10.184  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       2.963   5.495 -12.438  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       0.891   4.170 -11.946  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       0.470   5.333 -10.704  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.109   7.140  -9.675  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.063   8.401  -9.003  1.00 14.00           C
ATOM    521  C   LYS A  33       3.332   8.956  -8.453  1.00 12.37           C
ATOM    522  O   LYS A  33       3.713  10.069  -8.813  1.00 12.17           O
ATOM    523  CB  LYS A  33       1.099   8.158  -7.829  1.00 18.62           C
ATOM    524  CG  LYS A  33      -0.365   8.159  -8.274  1.00 24.00           C
ATOM    525  CD  LYS A  33      -1.303   8.101  -7.067  1.00 27.61           C
ATOM    526  CE  LYS A  33      -2.766   8.381  -7.418  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -3.023   9.661  -8.115  1.00 30.06           N
ATOM      0  H   LYS A  33       1.698   6.388  -9.122  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       1.776   9.147  -9.743  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.334   7.202  -7.360  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.248   8.929  -7.073  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33      -0.571   9.057  -8.857  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33      -0.552   7.306  -8.926  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -1.230   7.116  -6.607  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -0.971   8.825  -6.323  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -3.133   7.567  -8.044  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -3.351   8.365  -6.498  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -4.047   9.843  -8.141  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -2.547  10.434  -7.608  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -2.656   9.607  -9.087  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.056   8.242  -7.573  1.00 10.11           N
ATOM    542  CA  GLU A  34       5.280   8.661  -6.963  1.00 10.07           C
ATOM    543  C   GLU A  34       6.518   8.218  -7.662  1.00  9.32           C
ATOM    544  O   GLU A  34       7.319   9.065  -8.056  1.00 11.61           O
ATOM    545  CB  GLU A  34       5.313   7.995  -5.576  1.00 14.77           C
ATOM    546  CG  GLU A  34       4.418   8.664  -4.531  1.00 18.75           C
ATOM    547  CD  GLU A  34       4.781  10.115  -4.249  1.00 22.28           C
ATOM    548  OE1 GLU A  34       5.915  10.317  -3.739  1.00 21.95           O
ATOM    549  OE2 GLU A  34       3.967  11.046  -4.489  1.00 25.19           O
ATOM      0  H   GLU A  34       3.767   7.312  -7.268  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.283   9.751  -6.969  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.012   6.952  -5.680  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       6.340   7.996  -5.211  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       3.383   8.617  -4.870  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.475   8.098  -3.601  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.689   6.913  -7.939  1.00  7.22           N
ATOM    557  CA  GLY A  35       7.763   6.388  -8.724  1.00  6.29           C
ATOM    558  C   GLY A  35       8.548   5.285  -8.102  1.00  6.93           C
ATOM    559  O   GLY A  35       9.593   4.818  -8.552  1.00  7.41           O
ATOM      0  H   GLY A  35       6.051   6.192  -7.601  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       7.355   6.029  -9.669  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       8.446   7.204  -8.962  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.090   4.894  -6.899  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.626   3.876  -6.050  1.00  6.07           C
ATOM    565  C   ILE A  36       8.462   2.508  -6.616  1.00  6.36           C
ATOM    566  O   ILE A  36       7.307   2.246  -6.949  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.072   3.940  -4.657  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.177   5.401  -4.187  1.00  8.52           C
ATOM    569  CG2 ILE A  36       8.882   3.020  -3.728  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.387   5.577  -2.892  1.00  9.49           C
ATOM      0  H   ILE A  36       7.268   5.333  -6.484  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.695   4.081  -5.993  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.034   3.607  -4.637  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.222   5.669  -4.028  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       7.790   6.070  -4.955  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.474   3.072  -2.719  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.824   1.994  -4.091  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36       9.923   3.341  -3.715  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.461   6.612  -2.558  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.341   5.326  -3.067  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       7.795   4.919  -2.125  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.391   1.614  -6.782  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.149   0.307  -7.319  1.00  9.18           C
ATOM    584  C   PRO A  37       8.392  -0.618  -6.429  1.00  9.85           C
ATOM    585  O   PRO A  37       8.493  -0.340  -5.236  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.508  -0.276  -7.702  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.363   0.968  -7.993  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.799   1.943  -6.947  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.491   0.415  -8.181  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.931  -0.873  -6.894  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.435  -0.926  -8.574  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      12.428   0.781  -7.855  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      11.233   1.332  -9.012  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.332   1.846  -6.001  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      10.919   2.975  -7.276  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.689  -1.630  -6.844  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.032  -2.535  -5.946  1.00  9.08           C
ATOM    598  C   PRO A  38       8.027  -3.242  -5.092  1.00  9.28           C
ATOM    599  O   PRO A  38       7.699  -3.422  -3.920  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.265  -3.517  -6.829  1.00 10.31           C
ATOM    601  CG  PRO A  38       5.877  -2.667  -8.049  1.00 10.81           C
ATOM    602  CD  PRO A  38       6.903  -1.523  -8.064  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.360  -2.011  -5.266  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.882  -4.370  -7.113  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.387  -3.914  -6.320  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       5.920  -3.250  -8.969  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       4.860  -2.286  -7.960  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.545  -1.594  -8.942  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.401  -0.557  -8.114  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.195  -3.655  -5.617  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.332  -4.177  -4.925  1.00 14.96           C
ATOM    612  C   ASP A  39      11.054  -3.292  -3.967  1.00 13.99           C
ATOM    613  O   ASP A  39      11.922  -3.774  -3.241  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.342  -4.752  -5.933  1.00 24.16           C
ATOM    615  CG  ASP A  39      10.698  -5.985  -6.551  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.301  -6.993  -5.908  1.00 34.22           O
ATOM    617  OD2 ASP A  39      10.760  -6.031  -7.809  1.00 35.55           O
ATOM      0  H   ASP A  39       9.356  -3.619  -6.624  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.884  -4.935  -4.282  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      11.583  -4.016  -6.701  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      12.277  -5.012  -5.437  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.778  -1.980  -3.863  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.376  -1.106  -2.903  1.00 10.76           C
ATOM    624  C   GLN A  40      10.509  -0.988  -1.697  1.00  8.01           C
ATOM    625  O   GLN A  40      11.021  -0.889  -0.583  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.579   0.242  -3.616  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.463   1.233  -2.856  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.788   0.617  -2.432  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.980   0.382  -1.240  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.608   0.178  -3.425  1.00 18.16           N
ATOM      0  H   GLN A  40      10.110  -1.509  -4.473  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.333  -1.485  -2.544  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.020   0.058  -4.596  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      10.604   0.700  -3.786  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.654   2.103  -3.485  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      11.931   1.588  -1.973  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.398   0.404  -4.397  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.433  -0.377  -3.197  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.173  -1.066  -1.832  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.233  -0.817  -0.784  1.00  3.87           C
ATOM    641  C   GLN A  41       7.548  -2.032  -0.259  1.00  4.79           C
ATOM    642  O   GLN A  41       7.502  -3.054  -0.942  1.00  6.34           O
ATOM    643  CB  GLN A  41       7.103   0.087  -1.305  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.399  -0.534  -2.512  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.511   0.451  -3.258  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.525   0.932  -2.701  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.839   0.722  -4.550  1.00  7.13           N
ATOM      0  H   GLN A  41       8.727  -1.315  -2.715  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.828  -0.372   0.013  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.378   0.260  -0.509  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       7.512   1.059  -1.581  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.148  -0.930  -3.198  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       5.795  -1.378  -2.178  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.668   0.297  -4.966  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.256   1.350  -5.103  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.092  -1.974   1.005  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.037  -2.853   1.403  1.00  6.97           C
ATOM    658  C   ARG A  42       5.035  -2.061   2.169  1.00  7.15           C
ATOM    659  O   ARG A  42       5.371  -0.950   2.576  1.00  7.33           O
ATOM    660  CB  ARG A  42       6.570  -3.980   2.304  1.00 13.23           C
ATOM    661  CG  ARG A  42       7.532  -5.009   1.706  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.485  -6.450   2.218  1.00 26.14           C
ATOM    663  NE  ARG A  42       8.440  -7.257   1.407  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.776  -7.400   1.646  1.00 34.32           C
ATOM    665  NH1 ARG A  42      10.357  -7.001   2.816  1.00 35.30           N
ATOM    666  NH2 ARG A  42      10.570  -8.261   0.945  1.00 36.39           N
ATOM      0  H   ARG A  42       7.438  -1.343   1.728  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.592  -3.301   0.514  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.070  -3.515   3.153  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       5.710  -4.522   2.698  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       7.359  -5.036   0.630  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       8.546  -4.639   1.857  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       7.754  -6.489   3.274  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       6.476  -6.853   2.131  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       8.060  -7.748   0.598  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       9.788  -6.579   3.550  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      11.360  -7.125   2.956  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42      10.169  -8.835   0.203  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42      11.564  -8.330   1.163  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.800  -2.542   2.399  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.666  -1.915   3.004  1.00  3.51           C
ATOM    682  C   LEU A  43       2.404  -2.625   4.287  1.00  5.56           C
ATOM    683  O   LEU A  43       2.501  -3.845   4.409  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.366  -2.092   2.201  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.394  -1.554   0.761  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.218  -1.912  -0.164  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.590  -0.030   0.690  1.00  9.55           C
ATOM      0  H   LEU A  43       3.572  -3.497   2.122  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.901  -0.854   3.090  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.123  -3.154   2.168  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.558  -1.596   2.739  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.260  -2.094   0.379  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.377  -1.463  -1.145  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.153  -2.995  -0.267  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.710  -1.532   0.263  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       1.601   0.287  -0.353  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.772   0.467   1.212  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.536   0.237   1.160  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.124  -1.828   5.334  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.851  -2.316   6.650  1.00  5.55           C
ATOM    701  C   ILE A  44       0.442  -1.951   6.970  1.00  5.46           C
ATOM    702  O   ILE A  44       0.060  -0.786   6.865  1.00  6.04           O
ATOM    703  CB  ILE A  44       2.750  -1.729   7.698  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.198  -1.485   7.242  1.00 10.31           C
ATOM    705  CG2 ILE A  44       2.623  -2.663   8.913  1.00  7.39           C
ATOM    706  CD1 ILE A  44       4.971  -0.741   8.329  1.00 13.90           C
ATOM      0  H   ILE A  44       2.086  -0.811   5.262  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       2.022  -3.392   6.658  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       2.436  -0.715   7.945  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       4.684  -2.436   7.025  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.204  -0.906   6.319  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       3.255  -2.296   9.722  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       1.585  -2.688   9.246  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       2.939  -3.668   8.634  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       5.995  -0.573   7.997  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       4.491   0.218   8.525  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       4.979  -1.336   9.242  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -0.435  -2.915   7.299  1.00  6.75           N
ATOM    719  CA  PHE A  45      -1.805  -2.622   7.589  1.00  4.70           C
ATOM    720  C   PHE A  45      -1.920  -2.959   9.036  1.00  6.34           C
ATOM    721  O   PHE A  45      -1.819  -4.117   9.440  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.690  -3.453   6.645  1.00  5.51           C
ATOM    723  CG  PHE A  45      -4.128  -3.097   6.804  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -4.696  -1.869   7.051  1.00  5.87           C
ATOM    725  CD2 PHE A  45      -5.041  -4.116   6.670  1.00  6.86           C
ATOM    726  CE1 PHE A  45      -6.041  -1.739   7.305  1.00  6.64           C
ATOM    727  CE2 PHE A  45      -6.395  -4.030   6.893  1.00  6.68           C
ATOM    728  CZ  PHE A  45      -6.899  -2.813   7.286  1.00  6.84           C
ATOM      0  H   PHE A  45      -0.194  -3.904   7.365  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -2.128  -1.594   7.425  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.383  -3.286   5.613  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.550  -4.514   6.851  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -4.072  -0.988   7.045  1.00  5.87           H   new
ATOM      0  HD2 PHE A  45      -4.658  -5.077   6.360  1.00  6.86           H   new
ATOM      0  HE1 PHE A  45      -6.437  -0.759   7.527  1.00  6.64           H   new
ATOM      0  HE2 PHE A  45      -7.039  -4.887   6.764  1.00  6.68           H   new
ATOM      0  HZ  PHE A  45      -7.935  -2.704   7.571  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -2.104  -1.964   9.921  1.00  6.53           N
ATOM    739  CA  ALA A  46      -1.937  -2.045  11.339  1.00  7.15           C
ATOM    740  C   ALA A  46      -0.611  -2.554  11.788  1.00  9.00           C
ATOM    741  O   ALA A  46       0.243  -1.723  12.092  1.00 11.15           O
ATOM    742  CB  ALA A  46      -3.089  -2.819  12.002  1.00  8.99           C
ATOM      0  H   ALA A  46      -2.391  -1.032   9.621  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -1.969  -1.010  11.679  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -2.927  -2.860  13.079  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -4.033  -2.314  11.795  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -3.124  -3.832  11.602  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -0.310  -3.863  11.715  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.019  -4.340  11.934  1.00 11.68           C
ATOM    750  C   GLY A  47       1.475  -5.459  11.062  1.00 11.14           C
ATOM    751  O   GLY A  47       2.538  -6.030  11.302  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.990  -4.593  11.503  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       1.707  -3.505  11.805  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.099  -4.662  12.972  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.667  -5.781  10.036  1.00 10.47           N
ATOM    756  CA  LYS A  48       0.937  -6.855   9.131  1.00  8.82           C
ATOM    757  C   LYS A  48       1.344  -6.271   7.822  1.00  7.68           C
ATOM    758  O   LYS A  48       0.624  -5.569   7.114  1.00  6.47           O
ATOM    759  CB  LYS A  48      -0.361  -7.645   8.898  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.211  -8.880   8.008  1.00 14.14           C
ATOM    761  CD  LYS A  48      -1.398  -9.845   7.974  1.00 16.32           C
ATOM    762  CE  LYS A  48      -1.508 -10.807   9.159  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -2.551 -11.856   9.124  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.198  -5.281   9.830  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       1.716  -7.500   9.538  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -0.758  -7.957   9.864  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -1.099  -6.980   8.450  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -0.014  -8.545   6.990  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48       0.669  -9.433   8.337  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -2.316  -9.260   7.919  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -1.338 -10.432   7.058  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -0.544 -11.302   9.274  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -1.669 -10.210  10.057  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -2.500 -12.426   9.993  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -3.489 -11.411   9.056  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -2.399 -12.470   8.298  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.550  -6.740   7.455  1.00  8.89           N
ATOM    778  CA  GLN A  49       3.128  -6.453   6.179  1.00  7.18           C
ATOM    779  C   GLN A  49       2.605  -7.361   5.120  1.00  8.23           C
ATOM    780  O   GLN A  49       2.630  -8.585   5.229  1.00  9.70           O
ATOM    781  CB  GLN A  49       4.658  -6.417   6.338  1.00 11.67           C
ATOM    782  CG  GLN A  49       5.111  -5.465   7.446  1.00 15.82           C
ATOM    783  CD  GLN A  49       6.558  -5.059   7.208  1.00 20.21           C
ATOM    784  OE1 GLN A  49       7.365  -5.723   6.558  1.00 23.23           O
ATOM    785  NE2 GLN A  49       6.945  -3.849   7.695  1.00 20.67           N
ATOM      0  H   GLN A  49       3.132  -7.327   8.052  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.829  -5.468   5.822  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       5.021  -7.421   6.556  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       5.111  -6.112   5.394  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.473  -4.582   7.464  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       5.013  -5.949   8.418  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       6.290  -3.284   8.236  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.890  -3.507   7.519  1.00 20.67           H   new
ATOM    794  N   LEU A  50       2.005  -6.722   4.100  1.00  6.51           N
ATOM    795  CA  LEU A  50       1.187  -7.444   3.176  1.00  7.41           C
ATOM    796  C   LEU A  50       2.018  -8.020   2.081  1.00  8.27           C
ATOM    797  O   LEU A  50       3.099  -7.467   1.883  1.00  8.34           O
ATOM    798  CB  LEU A  50       0.150  -6.540   2.490  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.682  -5.698   3.472  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.754  -4.931   2.681  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.228  -6.627   4.570  1.00  8.14           C
ATOM      0  H   LEU A  50       2.084  -5.722   3.916  1.00  6.51           H   new
ATOM      0  HA  LEU A  50       0.689  -8.217   3.761  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.664  -5.873   1.798  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -0.522  -7.159   1.896  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -0.088  -4.940   3.982  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.351  -4.330   3.366  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.272  -4.279   1.952  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.400  -5.639   2.163  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -1.821  -6.046   5.276  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -1.853  -7.397   4.118  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -0.397  -7.097   5.095  1.00  8.14           H   new
ATOM    813  N   GLU A  51       1.640  -9.090   1.359  1.00  9.43           N
ATOM    814  CA  GLU A  51       2.422  -9.785   0.384  1.00 11.90           C
ATOM    815  C   GLU A  51       1.909  -9.542  -0.993  1.00 11.49           C
ATOM    816  O   GLU A  51       0.702  -9.513  -1.232  1.00  9.88           O
ATOM    817  CB  GLU A  51       2.567 -11.273   0.748  1.00 16.56           C
ATOM    818  CG  GLU A  51       3.033 -11.629   2.162  1.00 26.06           C
ATOM    819  CD  GLU A  51       3.255 -13.135   2.190  1.00 29.86           C
ATOM    820  OE1 GLU A  51       2.239 -13.880   2.150  1.00 32.13           O
ATOM    821  OE2 GLU A  51       4.398 -13.609   2.427  1.00 33.44           O
ATOM      0  H   GLU A  51       0.713  -9.501   1.467  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       3.434  -9.381   0.392  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       1.601 -11.751   0.585  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       3.268 -11.721   0.044  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       3.952 -11.099   2.410  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       2.286 -11.335   2.900  1.00 26.06           H   new
ATOM    828  N   ASP A  52       2.798  -9.413  -1.993  1.00 12.71           N
ATOM    829  CA  ASP A  52       2.593  -8.865  -3.298  1.00 16.56           C
ATOM    830  C   ASP A  52       1.542  -9.531  -4.117  1.00 15.83           C
ATOM    831  O   ASP A  52       0.678  -8.918  -4.744  1.00 17.21           O
ATOM    832  CB  ASP A  52       3.931  -8.816  -4.056  1.00 21.05           C
ATOM    833  CG  ASP A  52       5.013  -7.925  -3.463  1.00 25.12           C
ATOM    834  OD1 ASP A  52       5.581  -8.361  -2.426  1.00 25.82           O
ATOM    835  OD2 ASP A  52       5.374  -6.862  -4.034  1.00 28.37           O
ATOM      0  H   ASP A  52       3.761  -9.726  -1.872  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       2.206  -7.859  -3.134  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       4.323  -9.831  -4.123  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       3.734  -8.482  -5.075  1.00 21.05           H   new
ATOM    840  N   GLY A  53       1.635 -10.872  -4.161  1.00 15.00           N
ATOM    841  CA  GLY A  53       0.715 -11.670  -4.912  1.00 11.77           C
ATOM    842  C   GLY A  53      -0.654 -11.872  -4.360  1.00 11.10           C
ATOM    843  O   GLY A  53      -1.498 -12.458  -5.036  1.00 11.25           O
ATOM      0  H   GLY A  53       2.353 -11.407  -3.673  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53       0.613 -11.220  -5.900  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53       1.165 -12.652  -5.054  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -0.944 -11.362  -3.149  1.00  8.53           N
ATOM    848  CA  ARG A  54      -2.215 -11.540  -2.519  1.00  9.05           C
ATOM    849  C   ARG A  54      -3.072 -10.341  -2.737  1.00  8.96           C
ATOM    850  O   ARG A  54      -2.652  -9.304  -3.246  1.00 11.60           O
ATOM    851  CB  ARG A  54      -2.143 -11.787  -1.003  1.00  7.97           C
ATOM    852  CG  ARG A  54      -1.107 -12.842  -0.610  1.00  9.62           C
ATOM    853  CD  ARG A  54      -1.295 -13.688   0.651  1.00 12.20           C
ATOM    854  NE  ARG A  54      -0.119 -14.590   0.805  1.00 18.23           N
ATOM    855  CZ  ARG A  54       0.042 -15.792   0.179  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -0.989 -16.521  -0.339  1.00 23.38           N
ATOM    857  NH2 ARG A  54       1.278 -16.370   0.134  1.00 25.50           N
ATOM      0  H   ARG A  54      -0.283 -10.816  -2.597  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -2.634 -12.433  -2.983  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -1.905 -10.850  -0.500  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -3.124 -12.101  -0.646  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -1.017 -13.532  -1.449  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -0.149 -12.331  -0.514  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -1.394 -13.045   1.525  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -2.212 -14.273   0.580  1.00 12.20           H   new
ATOM      0  HE  ARG A  54       0.627 -14.284   1.430  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -1.945 -16.173  -0.269  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -0.803 -17.414  -0.796  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54       2.075 -15.904   0.567  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54       1.404 -17.268  -0.332  1.00 25.50           H   new
ATOM    871  N   THR A  55      -4.365 -10.437  -2.379  1.00  9.05           N
ATOM    872  CA  THR A  55      -5.385  -9.482  -2.684  1.00  9.03           C
ATOM    873  C   THR A  55      -5.790  -8.680  -1.495  1.00  8.15           C
ATOM    874  O   THR A  55      -5.717  -9.168  -0.369  1.00  5.91           O
ATOM    875  CB  THR A  55      -6.672  -9.959  -3.287  1.00 11.15           C
ATOM    876  OG1 THR A  55      -7.374 -10.883  -2.469  1.00 11.95           O
ATOM    877  CG2 THR A  55      -6.392 -10.772  -4.562  1.00 11.71           C
ATOM      0  H   THR A  55      -4.719 -11.230  -1.844  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -4.858  -8.917  -3.453  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -7.250  -9.048  -3.445  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -6.834 -11.692  -2.352  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -7.335 -11.113  -4.991  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -5.870 -10.146  -5.285  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -5.773 -11.634  -4.315  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -6.452  -7.520  -1.659  1.00  6.91           N
ATOM    886  CA  LEU A  56      -6.967  -6.734  -0.581  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.028  -7.403   0.223  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.236  -7.122   1.402  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.342  -5.345  -1.122  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.226  -4.571  -1.842  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -6.710  -4.243  -3.265  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.825  -3.335  -1.018  1.00  9.85           C
ATOM      0  H   LEU A  56      -6.635  -7.115  -2.577  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -6.182  -6.609   0.165  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.178  -5.461  -1.812  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -7.697  -4.738  -0.289  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -5.319  -5.168  -1.934  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -5.933  -3.693  -3.796  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -6.928  -5.169  -3.798  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.613  -3.635  -3.211  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.034  -2.793  -1.536  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.690  -2.684  -0.895  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.467  -3.651  -0.038  1.00  9.85           H   new
ATOM    904  N   SER A  57      -8.748  -8.362  -0.387  1.00  8.92           N
ATOM    905  CA  SER A  57      -9.808  -9.145   0.168  1.00  9.00           C
ATOM    906  C   SER A  57      -9.309 -10.230   1.059  1.00  9.44           C
ATOM    907  O   SER A  57      -9.930 -10.632   2.041  1.00 10.91           O
ATOM    908  CB  SER A  57     -10.752  -9.811  -0.848  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.056  -9.792  -0.286  1.00 13.59           O
ATOM      0  H   SER A  57      -8.569  -8.610  -1.360  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -10.374  -8.394   0.719  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -10.735  -9.276  -1.797  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -10.436 -10.834  -1.053  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.687 -10.209  -0.909  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -8.106 -10.780   0.816  1.00  9.11           N
ATOM    916  CA  ASP A  58      -7.461 -11.764   1.630  1.00  7.91           C
ATOM    917  C   ASP A  58      -7.149 -11.225   2.983  1.00  9.12           C
ATOM    918  O   ASP A  58      -7.252 -11.921   3.992  1.00  8.61           O
ATOM    919  CB  ASP A  58      -6.190 -12.214   0.889  1.00  8.41           C
ATOM    920  CG  ASP A  58      -6.438 -12.984  -0.400  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -7.193 -13.993  -0.399  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -5.698 -12.654  -1.364  1.00 10.05           O
ATOM      0  H   ASP A  58      -7.550 -10.522   0.001  1.00  9.11           H   new
ATOM      0  HA  ASP A  58      -8.120 -12.617   1.790  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -5.590 -11.333   0.659  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -5.598 -12.837   1.559  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -6.661  -9.973   3.032  1.00  7.97           N
ATOM    928  CA  TYR A  59      -6.521  -9.278   4.274  1.00  8.45           C
ATOM    929  C   TYR A  59      -7.664  -8.470   4.783  1.00 10.98           C
ATOM    930  O   TYR A  59      -7.491  -7.748   5.764  1.00 12.95           O
ATOM    931  CB  TYR A  59      -5.339  -8.304   4.131  1.00  7.94           C
ATOM    932  CG  TYR A  59      -4.153  -8.977   3.530  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -3.663 -10.084   4.182  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -3.585  -8.541   2.356  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -2.465 -10.611   3.763  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -2.444  -9.116   1.847  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -1.883 -10.098   2.628  1.00  6.76           C
ATOM    938  OH  TYR A  59      -0.635 -10.619   2.224  1.00  7.63           O
ATOM      0  H   TYR A  59      -6.364  -9.442   2.213  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -6.408 -10.084   4.999  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -5.634  -7.459   3.509  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.075  -7.903   5.109  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.206 -10.528   5.003  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -4.047  -7.726   1.819  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -1.991 -11.410   4.313  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -2.019  -8.817   0.900  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -0.717 -11.006   1.328  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -8.828  -8.519   4.110  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.056  -7.862   4.433  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.880  -6.390   4.577  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.302  -5.801   5.571  1.00 14.26           O
ATOM    952  CB  ASN A  60     -10.758  -8.603   5.583  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.348  -9.929   5.123  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -12.405  -9.877   4.496  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -10.699 -11.038   5.567  1.00 24.09           N
ATOM      0  H   ASN A  60      -8.914  -9.073   3.258  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -10.757  -7.925   3.600  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.046  -8.782   6.389  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.550  -7.975   5.991  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -11.089 -11.963   5.387  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60      -9.822 -10.945   6.080  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.417  -5.729   3.501  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.229  -4.312   3.462  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.455  -3.749   2.828  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.859  -4.169   1.744  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.012  -3.907   2.685  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.735  -4.554   3.248  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.872  -2.389   2.480  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.369  -4.305   2.611  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.165  -6.196   2.630  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.072  -3.934   4.472  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.159  -4.303   1.680  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.659  -4.249   4.292  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.896  -5.632   3.242  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.967  -2.181   1.909  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.739  -2.014   1.935  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.811  -1.895   3.450  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.605  -4.854   3.162  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.384  -4.643   1.575  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.142  -3.239   2.641  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.150  -2.835   3.527  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.283  -2.183   2.948  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.960  -0.800   2.496  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.842  -0.296   2.590  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.550  -2.290   3.813  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.341  -1.770   5.237  1.00 26.38           C
ATOM    987  CD  GLN A  62     -14.441  -2.157   6.215  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.916  -3.290   6.159  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -14.770  -1.150   7.067  1.00 32.71           N
ATOM      0  H   GLN A  62     -10.932  -2.550   4.482  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.536  -2.732   2.041  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -14.356  -1.728   3.340  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.869  -3.331   3.854  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.389  -2.146   5.612  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.265  -0.683   5.206  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -14.292  -0.251   7.003  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -15.495  -1.293   7.770  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.948  -0.018   2.027  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.814   1.371   1.715  1.00 11.97           C
ATOM   1000  C   LYS A  63     -12.320   2.242   2.819  1.00 10.41           C
ATOM   1001  O   LYS A  63     -12.488   1.894   3.987  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -14.156   2.000   1.303  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -15.197   2.070   2.422  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -16.626   2.201   1.890  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -16.944   3.649   1.510  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -17.920   3.685   0.397  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.889  -0.373   1.857  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -12.077   1.346   0.912  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -13.971   3.009   0.933  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -14.571   1.427   0.474  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -15.123   1.174   3.038  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.974   2.920   3.068  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -16.753   1.557   1.020  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -17.332   1.857   2.646  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -17.347   4.179   2.373  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.029   4.165   1.218  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -18.127   4.673   0.149  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -17.521   3.197  -0.430  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -18.798   3.210   0.690  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -11.592   3.347   2.580  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -11.265   4.278   3.616  1.00 10.94           C
ATOM   1022  C   GLU A  64     -10.340   3.721   4.643  1.00  9.74           C
ATOM   1023  O   GLU A  64     -10.462   4.012   5.831  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -12.489   5.010   4.193  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -13.230   5.701   3.047  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -14.395   6.580   3.479  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -15.480   6.003   3.755  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -14.151   7.766   3.828  1.00 32.61           O
ATOM      0  H   GLU A  64     -11.227   3.598   1.661  1.00 10.04           H   new
ATOM      0  HA  GLU A  64     -10.687   5.064   3.129  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -13.148   4.304   4.698  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -12.176   5.742   4.937  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -12.520   6.311   2.489  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -13.602   4.939   2.362  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -9.494   2.804   4.140  1.00  6.85           N
ATOM   1036  CA  SER A  65      -8.539   2.152   4.982  1.00  6.90           C
ATOM   1037  C   SER A  65      -7.210   2.826   5.001  1.00  4.72           C
ATOM   1038  O   SER A  65      -6.676   3.100   3.928  1.00  3.91           O
ATOM   1039  CB  SER A  65      -8.278   0.656   4.737  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.507  -0.055   4.752  1.00 10.56           O
ATOM      0  H   SER A  65      -9.470   2.516   3.162  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -9.052   2.236   5.940  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.778   0.517   3.778  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.611   0.263   5.504  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -9.979   0.090   3.905  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -6.545   3.103   6.137  1.00  4.48           N
ATOM   1047  CA  THR A  66      -5.268   3.746   6.147  1.00  3.80           C
ATOM   1048  C   THR A  66      -4.218   2.690   6.104  1.00  4.60           C
ATOM   1049  O   THR A  66      -4.236   1.752   6.900  1.00  5.33           O
ATOM   1050  CB  THR A  66      -5.037   4.588   7.367  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -6.112   5.514   7.417  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -3.708   5.330   7.149  1.00  3.40           C
ATOM      0  H   THR A  66      -6.901   2.876   7.066  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -5.230   4.410   5.283  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -4.990   4.012   8.291  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -6.010   6.092   8.202  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -3.496   5.958   8.014  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -2.904   4.606   7.021  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -3.781   5.953   6.257  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -3.333   2.805   5.098  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -2.221   1.940   4.854  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.922   2.614   5.136  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.845   3.826   4.943  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -2.130   1.163   3.530  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.906  -0.164   3.484  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.410   0.099   3.670  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.595  -0.773   2.107  1.00  8.12           C
ATOM      0  H   LEU A  67      -3.400   3.554   4.409  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -2.440   1.149   5.572  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -2.494   1.804   2.727  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -1.080   0.957   3.322  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.616  -0.847   4.282  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.952  -0.846   3.636  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.579   0.580   4.634  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.767   0.750   2.872  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.117  -1.724   2.004  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.926  -0.091   1.324  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.521  -0.936   2.016  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.099   1.977   5.738  1.00  2.94           N
ATOM   1080  CA  HIS A  68       1.368   2.611   5.920  1.00  4.17           C
ATOM   1081  C   HIS A  68       2.409   2.264   4.912  1.00  5.32           C
ATOM   1082  O   HIS A  68       2.546   1.090   4.569  1.00  7.70           O
ATOM   1083  CB  HIS A  68       1.826   2.473   7.382  1.00  5.57           C
ATOM   1084  CG  HIS A  68       0.779   2.619   8.446  1.00  9.95           C
ATOM   1085  ND1 HIS A  68      -0.323   1.805   8.613  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       0.558   3.716   9.220  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -1.181   2.472   9.431  1.00 14.75           C
ATOM   1088  NE2 HIS A  68      -0.671   3.619   9.840  1.00 16.30           N
ATOM      0  H   HIS A  68       0.046   1.024   6.098  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.217   3.671   5.717  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       2.292   1.495   7.499  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       2.600   3.219   7.565  1.00  5.57           H   new
ATOM      0  HD1 HIS A  68      -0.466   0.882   8.203  1.00 13.74           H   new
ATOM      0  HD2 HIS A  68       1.244   4.542   9.333  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -2.159   2.108   9.711  1.00 14.75           H   new
ATOM   1096  N   LEU A  69       3.147   3.266   4.402  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.145   3.047   3.402  1.00  3.97           C
ATOM   1098  C   LEU A  69       5.493   2.967   4.030  1.00  5.07           C
ATOM   1099  O   LEU A  69       5.940   3.827   4.788  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.315   4.079   2.274  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.017   3.634   0.980  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       4.343   2.476   0.224  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       5.398   4.863   0.137  1.00  6.87           C
ATOM      0  H   LEU A  69       3.050   4.241   4.687  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       3.768   2.133   2.942  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.324   4.445   2.006  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       4.869   4.926   2.679  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       5.951   3.150   1.266  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       4.919   2.242  -0.672  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       4.300   1.597   0.868  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       3.332   2.767  -0.060  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       5.895   4.537  -0.777  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       4.498   5.422  -0.118  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.072   5.501   0.708  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.199   1.857   3.747  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.540   1.654   4.198  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.391   1.165   3.077  1.00  9.22           C
ATOM   1118  O   VAL A  70       7.869   0.531   2.161  1.00  9.36           O
ATOM   1119  CB  VAL A  70       7.795   0.722   5.345  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       7.338   1.428   6.633  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.173  -0.673   5.161  1.00  8.54           C
ATOM      0  H   VAL A  70       5.830   1.084   3.193  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       7.783   2.649   4.571  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.862   0.509   5.403  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       7.511   0.774   7.488  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       7.903   2.351   6.762  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       6.275   1.660   6.563  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.400  -1.290   6.030  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       6.092  -0.578   5.055  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       7.586  -1.140   4.267  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.692   1.504   3.042  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.552   1.269   1.924  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.783   0.660   2.503  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.139   0.945   3.645  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.028   2.475   1.098  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.051   3.198   0.155  1.00 19.37           C
ATOM   1137  CD1 LEU A  71       8.800   3.812   0.806  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.772   4.322  -0.608  1.00 17.51           C
ATOM      0  H   LEU A  71      10.163   1.960   3.823  1.00 12.71           H   new
ATOM      0  HA  LEU A  71       9.963   0.674   1.226  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      11.410   3.217   1.799  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      11.873   2.141   0.495  1.00 17.10           H   new
ATOM      0  HG  LEU A  71       9.699   2.400  -0.498  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       8.190   4.293   0.041  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71       8.220   3.027   1.292  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71       9.102   4.552   1.547  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.066   4.823  -1.270  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.177   5.043   0.103  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      11.585   3.898  -1.198  1.00 17.51           H   new