USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16
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  60 ASN     :      amide:sc=  -0.625  K(o=-0.63,f=-1.2)
USER  MOD Set 1.2: A  62 GLN     :      amide:sc=       0  X(o=-0.63,f=-0.97)
USER  MOD Single : A   1 MET CE  :methyl  176:sc=       0   (180deg=-0.0146)
USER  MOD Single : A   1 MET N   :NH3+   -179:sc=    1.08   (180deg=1.08)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=-0.23)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   7 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=  0.0294
USER  MOD Single : A  11 LYS NZ  :NH3+    148:sc=    1.28   (180deg=1.05)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
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=  0.0564
USER  MOD Single : A  25 ASN     :      amide:sc=   0.721  K(o=0.72,f=-0.88)
USER  MOD Single : A  27 LYS NZ  :NH3+   -149:sc=    1.15   (180deg=0.896)
USER  MOD Single : A  29 LYS NZ  :NH3+   -118:sc=   0.978   (180deg=-0.0533)
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.349  K(o=-0.35,f=-2.9!)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.178  K(o=-0.18,f=-1.8)
USER  MOD Single : A  41 GLN     :      amide:sc= 0.00985  K(o=0.0099,f=-5.4!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc= -0.0237  X(o=-0.024,f=-0.2)
USER  MOD Single : A  55 THR OG1 :   rot -130:sc=   0.196
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  120:sc=   0.535
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot  150:sc=       0
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.577   5.400  -4.172  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.299   5.629  -2.737  1.00 10.38           C
ATOM      3  C   MET A   1     -10.898   6.108  -2.564  1.00  9.62           C
ATOM      4  O   MET A   1      -9.999   5.816  -3.351  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.810   4.498  -1.827  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.729   3.462  -1.511  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.431   1.926  -0.837  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.850   1.279  -0.222  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.560   5.082  -4.289  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.434   6.285  -4.699  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.932   4.671  -4.539  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.906   6.451  -2.357  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.181   4.926  -0.896  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.653   4.002  -2.308  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.167   3.236  -2.418  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -11.023   3.882  -0.795  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -11.023   0.346   0.314  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.180   1.096  -1.062  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.397   2.006   0.452  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.660   6.876  -1.486  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.359   7.371  -1.158  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.947   6.719   0.117  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.697   6.592   1.083  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.315   8.893  -0.940  1.00 14.46           C
ATOM     25  CG  GLN A   2      -9.479   9.635  -2.268  1.00 17.01           C
ATOM     26  CD  GLN A   2      -9.354  11.134  -2.034  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -9.642  11.733  -0.999  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -8.961  11.881  -3.100  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.386   7.159  -0.828  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.699   7.146  -1.996  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -10.107   9.190  -0.252  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -8.369   9.172  -0.477  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -8.721   9.303  -2.978  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -10.450   9.405  -2.707  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -8.713  11.425  -3.978  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.914  12.897  -3.021  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.638   6.439   0.246  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.969   6.200   1.487  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.843   7.171   1.581  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.671   7.913   0.615  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.614   4.748   1.619  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.979   4.225   0.319  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.873   3.939   1.975  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.058   3.023   0.522  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.014   6.376  -0.558  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.604   6.380   2.355  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.882   4.632   2.418  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.772   3.950  -0.376  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.412   5.031  -0.147  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.613   2.885   2.070  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.282   4.299   2.919  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.617   4.059   1.188  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.649   2.712  -0.439  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.243   3.298   1.192  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.624   2.200   0.959  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.033   7.026   2.645  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.813   7.764   2.761  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.703   6.822   3.076  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.806   5.863   3.841  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.767   9.015   3.655  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.050   9.770   3.717  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.313  10.804   2.849  1.00  6.69           C
ATOM     63  CD2 PHE A   4      -5.895   9.538   4.777  1.00  8.34           C
ATOM     64  CE1 PHE A   4      -6.500  11.496   2.890  1.00  9.10           C
ATOM     65  CE2 PHE A   4      -7.097  10.205   4.808  1.00 10.61           C
ATOM     66  CZ  PHE A   4      -7.406  11.159   3.867  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.223   6.397   3.426  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.706   8.226   1.780  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -3.485   8.716   4.665  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -2.985   9.680   3.290  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.568  11.079   2.117  1.00  6.69           H   new
ATOM      0  HD2 PHE A   4      -5.622   8.850   5.564  1.00  8.34           H   new
ATOM      0  HE1 PHE A   4      -6.714  12.279   2.178  1.00  9.10           H   new
ATOM      0  HE2 PHE A   4      -7.811   9.976   5.585  1.00 10.61           H   new
ATOM      0  HZ  PHE A   4      -8.369  11.648   3.896  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.487   6.959   2.518  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.370   6.200   2.987  1.00  3.87           C
ATOM     78  C   VAL A   5       0.652   7.065   3.641  1.00  4.93           C
ATOM     79  O   VAL A   5       0.945   8.116   3.072  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.219   5.385   1.875  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.235   4.395   2.468  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.883   4.539   1.215  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.278   7.592   1.746  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.730   5.512   3.752  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.683   6.057   1.153  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.670   3.797   1.667  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.024   4.946   2.979  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.732   3.739   3.179  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.453   3.947   0.407  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.324   3.873   1.957  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.654   5.196   0.813  1.00  9.13           H   new
ATOM     92  N   LYS A   6       1.293   6.749   4.780  1.00  6.04           N
ATOM     93  CA  LYS A   6       2.503   7.342   5.259  1.00  6.12           C
ATOM     94  C   LYS A   6       3.656   6.447   4.960  1.00  6.57           C
ATOM     95  O   LYS A   6       3.692   5.292   5.383  1.00  5.76           O
ATOM     96  CB  LYS A   6       2.344   7.693   6.748  1.00  7.45           C
ATOM     97  CG  LYS A   6       3.473   8.440   7.461  1.00 11.12           C
ATOM     98  CD  LYS A   6       3.131   9.016   8.836  1.00 14.54           C
ATOM     99  CE  LYS A   6       2.143   8.184   9.656  1.00 18.84           C
ATOM    100  NZ  LYS A   6       2.041   8.698  11.041  1.00 20.55           N
ATOM      0  H   LYS A   6       0.940   6.028   5.410  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       2.712   8.280   4.744  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       1.439   8.291   6.850  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       2.173   6.762   7.289  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       4.318   7.760   7.574  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       3.804   9.256   6.819  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       4.053   9.126   9.407  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       2.718  10.016   8.702  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       1.162   8.207   9.182  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       2.465   7.143   9.673  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       1.365   8.118  11.578  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       2.974   8.654  11.497  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       1.712   9.684  11.022  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.504   7.027   4.093  1.00  7.41           N
ATOM    115  CA  THR A   7       5.599   6.402   3.417  1.00  7.48           C
ATOM    116  C   THR A   7       6.747   5.967   4.262  1.00  8.75           C
ATOM    117  O   THR A   7       6.609   5.888   5.481  1.00  8.58           O
ATOM    118  CB  THR A   7       6.034   7.265   2.270  1.00  9.61           C
ATOM    119  OG1 THR A   7       6.791   8.420   2.602  1.00 11.78           O
ATOM    120  CG2 THR A   7       4.856   7.749   1.408  1.00  9.17           C
ATOM      0  H   THR A   7       4.416   8.013   3.845  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.210   5.451   3.054  1.00  7.48           H   new
ATOM      0  HB  THR A   7       6.683   6.579   1.726  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       7.022   8.906   1.783  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       5.231   8.369   0.594  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       4.329   6.888   0.996  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.171   8.333   2.023  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.917   5.665   3.671  1.00  9.84           N
ATOM    129  CA  LEU A   8       9.168   5.219   4.201  1.00 14.15           C
ATOM    130  C   LEU A   8       9.736   6.248   5.116  1.00 17.37           C
ATOM    131  O   LEU A   8      10.126   6.001   6.256  1.00 17.01           O
ATOM    132  CB  LEU A   8      10.176   4.827   3.108  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.777   3.686   2.157  1.00 18.88           C
ATOM    134  CD1 LEU A   8      10.855   3.412   1.095  1.00 18.59           C
ATOM    135  CD2 LEU A   8       9.441   2.331   2.803  1.00 19.31           C
ATOM      0  H   LEU A   8       7.988   5.750   2.657  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.971   4.310   4.769  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.381   5.712   2.506  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      11.111   4.549   3.595  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       8.857   4.079   1.726  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      10.529   2.599   0.447  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.014   4.310   0.498  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.787   3.133   1.586  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       9.176   1.613   2.026  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      10.308   1.966   3.354  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       8.601   2.452   3.487  1.00 19.31           H   new
ATOM    147  N   THR A   9       9.923   7.480   4.610  1.00 18.33           N
ATOM    148  CA  THR A   9      10.517   8.589   5.291  1.00 19.24           C
ATOM    149  C   THR A   9       9.575   9.199   6.272  1.00 19.48           C
ATOM    150  O   THR A   9       9.896   9.629   7.379  1.00 23.14           O
ATOM    151  CB  THR A   9      11.073   9.624   4.359  1.00 18.97           C
ATOM    152  OG1 THR A   9      10.075   9.930   3.397  1.00 20.24           O
ATOM    153  CG2 THR A   9      12.141   8.927   3.500  1.00 19.70           C
ATOM      0  H   THR A   9       9.639   7.717   3.659  1.00 18.33           H   new
ATOM      0  HA  THR A   9      11.365   8.183   5.842  1.00 19.24           H   new
ATOM      0  HB  THR A   9      11.425  10.484   4.929  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      10.416  10.607   2.776  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      12.574   9.646   2.804  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.924   8.529   4.145  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.683   8.111   2.941  1.00 19.70           H   new
ATOM    161  N   GLY A  10       8.302   9.334   5.861  1.00 19.43           N
ATOM    162  CA  GLY A  10       7.230   9.981   6.552  1.00 18.74           C
ATOM    163  C   GLY A  10       6.636  11.137   5.823  1.00 17.62           C
ATOM    164  O   GLY A  10       6.780  12.278   6.259  1.00 19.74           O
ATOM      0  H   GLY A  10       7.997   8.956   4.964  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       6.446   9.249   6.748  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       7.594  10.326   7.520  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.869  10.868   4.751  1.00 13.56           N
ATOM    169  CA  LYS A  11       5.078  11.838   4.059  1.00 11.91           C
ATOM    170  C   LYS A  11       3.739  11.241   3.796  1.00 10.18           C
ATOM    171  O   LYS A  11       3.677  10.100   3.340  1.00  9.10           O
ATOM    172  CB  LYS A  11       5.670  11.972   2.646  1.00 13.43           C
ATOM    173  CG  LYS A  11       5.109  13.191   1.911  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.532  13.205   0.440  1.00 17.92           C
ATOM    175  CE  LYS A  11       5.146  14.435  -0.384  1.00 20.81           C
ATOM    176  NZ  LYS A  11       5.683  14.445  -1.763  1.00 21.93           N
ATOM      0  H   LYS A  11       5.797   9.933   4.349  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       5.041  12.765   4.631  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.755  12.054   2.712  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.453  11.070   2.073  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       4.021  13.188   1.977  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       5.456  14.102   2.399  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       6.616  13.096   0.399  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       5.105  12.326  -0.043  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       4.059  14.498  -0.431  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       5.495  15.328   0.135  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       5.015  14.934  -2.392  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       6.597  14.941  -1.776  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       5.815  13.467  -2.091  1.00 21.93           H   new
ATOM    190  N   THR A  12       2.594  11.823   4.197  1.00  9.63           N
ATOM    191  CA  THR A  12       1.322  11.220   3.946  1.00  9.85           C
ATOM    192  C   THR A  12       0.763  11.619   2.624  1.00 11.66           C
ATOM    193  O   THR A  12       0.404  12.752   2.310  1.00 12.33           O
ATOM    194  CB  THR A  12       0.428  11.508   5.116  1.00 10.85           C
ATOM    195  OG1 THR A  12       1.049  10.991   6.284  1.00 10.91           O
ATOM    196  CG2 THR A  12      -0.832  10.633   5.005  1.00  9.63           C
ATOM      0  H   THR A  12       2.550  12.712   4.695  1.00  9.63           H   new
ATOM      0  HA  THR A  12       1.422  10.138   3.863  1.00  9.85           H   new
ATOM      0  HB  THR A  12       0.224  12.578   5.144  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       0.482  11.170   7.063  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -1.490  10.834   5.851  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -1.354  10.863   4.076  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -0.546   9.581   5.009  1.00  9.63           H   new
ATOM    204  N   ILE A  13       0.547  10.661   1.705  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.137  10.845   0.348  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.248  10.324   0.171  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.654   9.348   0.800  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.062  10.192  -0.636  1.00 14.86           C
ATOM    209  CG1 ILE A  13       1.107   8.663  -0.472  1.00 14.87           C
ATOM    210  CG2 ILE A  13       2.466  10.808  -0.525  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.819   7.867  -1.565  1.00 16.46           C
ATOM      0  H   ILE A  13       0.670   9.674   1.933  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.167  11.915   0.144  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       0.672  10.381  -1.636  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.590   8.439   0.479  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       0.082   8.300  -0.402  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       3.132  10.328  -1.243  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       2.413  11.876  -0.737  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       2.851  10.657   0.484  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       1.778   6.804  -1.327  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       1.328   8.044  -2.522  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       2.860   8.185  -1.627  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.979  10.983  -0.746  1.00  9.39           N
ATOM    224  CA  THR A  14      -3.343  10.612  -0.965  1.00  9.63           C
ATOM    225  C   THR A  14      -3.362   9.724  -2.161  1.00 11.20           C
ATOM    226  O   THR A  14      -2.640   9.967  -3.126  1.00 11.63           O
ATOM    227  CB  THR A  14      -4.157  11.854  -1.180  1.00 10.38           C
ATOM    228  OG1 THR A  14      -3.830  12.744  -0.123  1.00 16.30           O
ATOM    229  CG2 THR A  14      -5.644  11.543  -1.420  1.00 11.66           C
ATOM      0  H   THR A  14      -1.638  11.753  -1.322  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -3.771  10.084  -0.113  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -3.910  12.366  -2.110  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -4.340  13.574  -0.225  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -6.191  12.474  -1.570  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -5.746  10.915  -2.305  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -6.050  11.019  -0.555  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -4.128   8.619  -2.163  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.284   7.670  -3.222  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.742   7.575  -3.517  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.635   7.797  -2.701  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.817   6.243  -2.888  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.352   6.120  -2.435  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.116   4.634  -2.118  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.432   6.671  -3.537  1.00 15.88           C
ATOM      0  H   LEU A  15      -4.689   8.368  -1.348  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.669   8.027  -4.048  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.458   5.843  -2.102  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -3.962   5.616  -3.768  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.130   6.705  -1.543  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.086   4.491  -1.790  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.796   4.318  -1.327  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.298   4.038  -3.012  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.393   6.586  -3.220  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.580   6.100  -4.454  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -1.671   7.719  -3.720  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.036   7.091  -4.737  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.398   6.833  -5.085  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.445   5.394  -5.471  1.00 10.13           C
ATOM    259  O   GLU A  16      -6.645   5.008  -6.322  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.906   7.842  -6.129  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.387   7.705  -6.485  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.737   8.606  -7.661  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -9.069   8.502  -8.725  1.00 28.90           O
ATOM    264  OE2 GLU A  16     -10.800   9.278  -7.598  1.00 28.86           O
ATOM      0  H   GLU A  16      -5.352   6.883  -5.464  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.098   6.986  -4.263  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.728   8.851  -5.756  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -7.316   7.730  -7.039  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.613   6.668  -6.734  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16     -10.000   7.967  -5.623  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.318   4.537  -4.911  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.286   3.135  -5.190  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.723   2.759  -5.318  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.614   3.429  -4.799  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.503   2.424  -4.127  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.006   2.746  -4.273  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.892   2.731  -2.671  1.00 10.54           C
ATOM      0  H   VAL A  17      -9.051   4.818  -4.260  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.767   2.851  -6.105  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.739   1.373  -4.297  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.445   2.226  -3.497  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.658   2.420  -5.253  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.853   3.821  -4.172  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.256   2.158  -1.996  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.762   3.796  -2.476  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.934   2.457  -2.507  1.00 10.54           H   new
ATOM    287  N   GLU A  18      -9.947   1.526  -5.806  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.192   0.825  -5.743  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.041  -0.292  -4.768  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.908  -0.729  -4.574  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.646   0.291  -7.113  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.144   1.291  -8.158  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.437   1.954  -7.704  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -14.489   1.260  -7.688  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -13.499   3.197  -7.506  1.00 18.17           O
ATOM      0  H   GLU A  18      -9.216   0.988  -6.271  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.968   1.520  -5.422  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -10.810  -0.256  -7.549  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.443  -0.432  -6.939  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -11.382   2.051  -8.331  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.306   0.780  -9.107  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.100  -0.784  -4.198  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.900  -1.901  -3.321  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.543  -3.167  -4.020  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.061  -4.091  -3.367  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.213  -2.047  -2.554  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.305  -1.422  -3.436  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.473  -0.312  -4.097  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.046  -1.714  -2.670  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.430  -3.096  -2.353  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.157  -1.542  -1.590  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.717  -2.126  -4.159  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.142  -1.033  -2.857  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.869  -0.075  -5.085  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.520   0.603  -3.507  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.747  -3.278  -5.345  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.438  -4.435  -6.126  1.00  6.28           C
ATOM    318  C   SER A  20      -9.955  -4.503  -6.256  1.00  8.45           C
ATOM    319  O   SER A  20      -9.382  -5.527  -6.628  1.00  7.26           O
ATOM    320  CB  SER A  20     -11.973  -4.380  -7.566  1.00  8.57           C
ATOM    321  OG  SER A  20     -13.387  -4.243  -7.567  1.00 11.13           O
ATOM      0  H   SER A  20     -12.148  -2.522  -5.899  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.896  -5.284  -5.619  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -11.520  -3.542  -8.097  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -11.689  -5.287  -8.100  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.712  -4.208  -8.491  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.208  -3.424  -5.962  1.00  7.50           N
ATOM    328  CA  ASP A  21      -7.812  -3.433  -6.273  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.954  -4.222  -5.345  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.193  -4.388  -4.150  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.391  -1.954  -6.249  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.749  -1.168  -7.502  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -7.245  -1.534  -8.597  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.461  -0.136  -7.382  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.555  -2.571  -5.523  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -7.670  -3.926  -7.235  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.857  -1.472  -5.389  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.313  -1.900  -6.099  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.947  -4.925  -5.892  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.932  -5.568  -5.116  1.00  6.01           C
ATOM    341  C   THR A  22      -3.893  -4.788  -4.387  1.00  8.01           C
ATOM    342  O   THR A  22      -3.747  -3.591  -4.629  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.175  -6.440  -6.074  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.928  -5.844  -7.339  1.00 10.22           O
ATOM    345  CG2 THR A  22      -4.896  -7.748  -6.440  1.00  9.65           C
ATOM      0  H   THR A  22      -5.835  -5.050  -6.898  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.506  -6.025  -4.310  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.258  -6.612  -5.511  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.431  -6.471  -7.905  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -4.282  -8.320  -7.136  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.064  -8.336  -5.537  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -5.854  -7.517  -6.906  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.103  -5.403  -3.489  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.007  -4.754  -2.839  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.964  -4.322  -3.811  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.400  -3.232  -3.718  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.486  -5.387  -1.583  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.657  -5.947  -0.757  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.524  -4.509  -0.765  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.822  -5.023  -0.406  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.229  -6.375  -3.208  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.442  -3.846  -2.421  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.849  -6.217  -1.888  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.065  -6.800  -1.300  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.247  -6.330   0.178  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.202  -5.052   0.123  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.346  -4.258  -1.373  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -1.033  -3.593  -0.465  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.560  -5.574   0.177  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -3.454  -4.179   0.178  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -4.284  -4.656  -1.322  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.710  -5.202  -4.795  1.00  9.54           N
ATOM    373  CA  GLU A  24       0.060  -4.909  -5.964  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.326  -3.687  -6.725  1.00 11.14           C
ATOM    375  O   GLU A  24       0.538  -2.951  -7.198  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.064  -6.131  -6.898  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.889  -5.942  -8.173  1.00 27.76           C
ATOM    378  CD  GLU A  24       1.302  -7.245  -8.843  1.00 32.92           C
ATOM    379  OE1 GLU A  24       0.338  -8.001  -9.138  1.00 34.80           O
ATOM    380  OE2 GLU A  24       2.481  -7.506  -9.202  1.00 36.51           O
ATOM      0  H   GLU A  24      -1.057  -6.161  -4.775  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       1.058  -4.684  -5.587  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       0.452  -6.991  -6.352  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -0.964  -6.366  -7.175  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       0.312  -5.348  -8.882  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.785  -5.370  -7.932  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.622  -3.327  -6.730  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.092  -2.137  -7.368  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.893  -0.946  -6.495  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.449   0.094  -6.979  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.541  -2.175  -7.883  1.00 16.78           C
ATOM    392  CG  ASN A  25      -3.799  -3.234  -8.945  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -2.879  -3.897  -9.420  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -5.058  -3.299  -9.455  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.358  -3.873  -6.282  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.476  -2.063  -8.264  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.210  -2.351  -7.040  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.795  -1.197  -8.292  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -5.256  -3.908 -10.249  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -5.805  -2.739  -9.043  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -1.919  -1.130  -5.163  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.637  -0.116  -4.194  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.233   0.355  -4.360  1.00  4.42           C
ATOM    404  O   VAL A  26       0.042   1.508  -4.689  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.865  -0.354  -2.731  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.858   1.005  -2.012  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.296  -0.911  -2.646  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.148  -2.030  -4.741  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.415   0.607  -4.439  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.116  -1.013  -2.293  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.023   0.853  -0.945  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -0.895   1.493  -2.165  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.651   1.634  -2.415  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.546  -1.114  -1.605  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.996  -0.180  -3.051  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.362  -1.834  -3.222  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.694  -0.619  -4.330  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.091  -0.398  -4.540  1.00  4.14           C
ATOM    419  C   LYS A  27       2.483   0.261  -5.818  1.00  5.58           C
ATOM    420  O   LYS A  27       3.351   1.127  -5.911  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.791  -1.764  -4.445  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.727  -2.337  -3.028  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.139  -3.809  -2.957  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.576  -4.090  -3.402  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.613  -5.456  -3.970  1.00 15.47           N
ATOM      0  H   LYS A  27       0.462  -1.596  -4.153  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.397   0.313  -3.772  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.324  -2.461  -5.141  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.833  -1.661  -4.749  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.376  -1.752  -2.376  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.712  -2.231  -2.645  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       3.015  -4.158  -1.932  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       2.459  -4.393  -3.577  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.896  -3.359  -4.144  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       5.261  -4.008  -2.558  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.548  -5.878  -3.800  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       3.882  -6.040  -3.517  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.435  -5.411  -4.994  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.741  -0.122  -6.872  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.834   0.417  -8.194  1.00  7.74           C
ATOM    441  C   ALA A  28       1.477   1.853  -8.361  1.00  9.17           C
ATOM    442  O   ALA A  28       2.183   2.593  -9.044  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.006  -0.413  -9.189  1.00  7.68           C
ATOM      0  H   ALA A  28       1.033  -0.852  -6.796  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.902   0.356  -8.403  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.095   0.019 -10.186  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.376  -1.438  -9.204  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.040  -0.409  -8.884  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.470   2.270  -7.572  1.00  8.96           N
ATOM    450  CA  LYS A  29       0.053   3.618  -7.344  1.00  7.90           C
ATOM    451  C   LYS A  29       0.950   4.475  -6.519  1.00  6.92           C
ATOM    452  O   LYS A  29       0.932   5.696  -6.665  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.415   3.570  -6.887  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.338   3.287  -8.074  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.770   3.734  -7.772  1.00 19.69           C
ATOM    456  CE  LYS A  29      -4.536   3.540  -9.082  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.947   3.951  -8.909  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.100   1.604  -7.050  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       0.135   4.161  -8.285  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.541   2.797  -6.129  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.689   4.518  -6.424  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -1.969   3.807  -8.958  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.326   2.221  -8.303  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.207   3.140  -6.969  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.798   4.775  -7.450  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -4.072   4.127  -9.874  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -4.488   2.495  -9.390  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -6.569   3.133  -9.068  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -6.088   4.311  -7.943  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -6.177   4.699  -9.594  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.711   3.875  -5.586  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.732   4.500  -4.803  1.00  5.58           C
ATOM    473  C   ILE A  30       3.880   4.729  -5.724  1.00  7.26           C
ATOM    474  O   ILE A  30       4.457   5.815  -5.763  1.00  9.46           O
ATOM    475  CB  ILE A  30       3.005   3.905  -3.453  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.737   3.736  -2.600  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.053   4.730  -2.686  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.978   2.942  -1.317  1.00  2.00           C
ATOM      0  H   ILE A  30       1.605   2.885  -5.364  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       2.393   5.465  -4.426  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.400   2.906  -3.639  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.346   4.720  -2.343  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.972   3.234  -3.192  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.231   4.276  -1.711  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.984   4.752  -3.252  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.687   5.748  -2.551  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.045   2.858  -0.760  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.341   1.946  -1.569  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.720   3.455  -0.706  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.203   3.729  -6.563  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.268   3.842  -7.511  1.00  8.67           C
ATOM    492  C   GLN A  31       5.071   4.807  -8.628  1.00 10.90           C
ATOM    493  O   GLN A  31       6.024   5.381  -9.154  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.429   2.489  -8.225  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.538   2.384  -9.274  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.529   0.994  -9.894  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.822   0.126  -9.383  1.00 14.48           O
ATOM    498  NE2 GLN A  31       7.234   0.915 -11.054  1.00 14.76           N
ATOM      0  H   GLN A  31       3.720   2.831  -6.584  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.111   4.181  -6.909  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.606   1.725  -7.468  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.482   2.246  -8.708  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.393   3.138 -10.047  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.506   2.581  -8.814  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       7.786   1.712 -11.371  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       7.211   0.059 -11.608  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.778   5.016  -8.934  1.00 10.93           N
ATOM    508  CA  ASP A  32       3.349   6.058  -9.814  1.00 14.01           C
ATOM    509  C   ASP A  32       3.480   7.429  -9.244  1.00 14.04           C
ATOM    510  O   ASP A  32       4.153   8.271  -9.835  1.00 13.39           O
ATOM    511  CB  ASP A  32       1.912   5.818 -10.308  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.612   6.656 -11.543  1.00 24.33           C
ATOM    513  OD1 ASP A  32       1.169   7.830 -11.429  1.00 26.29           O
ATOM    514  OD2 ASP A  32       1.761   6.054 -12.639  1.00 25.17           O
ATOM      0  H   ASP A  32       3.015   4.450  -8.563  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       4.033   6.014 -10.662  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       1.775   4.762 -10.539  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       1.205   6.065  -9.516  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.934   7.622  -8.030  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.863   8.777  -7.190  1.00 14.00           C
ATOM    521  C   LYS A  33       4.167   9.282  -6.677  1.00 12.37           C
ATOM    522  O   LYS A  33       4.573  10.373  -7.076  1.00 12.17           O
ATOM    523  CB  LYS A  33       2.029   8.606  -5.909  1.00 18.62           C
ATOM    524  CG  LYS A  33       1.627   9.856  -5.124  1.00 24.00           C
ATOM    525  CD  LYS A  33       0.466  10.639  -5.740  1.00 27.61           C
ATOM    526  CE  LYS A  33       0.036  11.752  -4.783  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -1.189  12.470  -5.200  1.00 30.06           N
ATOM      0  H   LYS A  33       2.470   6.838  -7.572  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.405   9.470  -7.895  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.115   8.076  -6.177  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       2.588   7.957  -5.235  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       1.355   9.562  -4.110  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       2.492  10.514  -5.044  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       0.768  11.064  -6.697  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -0.372   9.971  -5.938  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -0.126  11.323  -3.794  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33       0.851  12.470  -4.689  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -1.414  13.207  -4.502  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -1.034  12.910  -6.130  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -1.981  11.799  -5.262  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.866   8.515  -5.821  1.00 10.11           N
ATOM    542  CA  GLU A  34       6.044   9.021  -5.187  1.00 10.07           C
ATOM    543  C   GLU A  34       7.331   8.675  -5.854  1.00  9.32           C
ATOM    544  O   GLU A  34       8.322   9.400  -5.787  1.00 11.61           O
ATOM    545  CB  GLU A  34       6.150   8.628  -3.704  1.00 14.77           C
ATOM    546  CG  GLU A  34       5.497   9.625  -2.744  1.00 18.75           C
ATOM    547  CD  GLU A  34       6.250  10.933  -2.547  1.00 22.28           C
ATOM    548  OE1 GLU A  34       7.300  10.842  -1.858  1.00 21.95           O
ATOM    549  OE2 GLU A  34       5.826  12.020  -3.024  1.00 25.19           O
ATOM      0  H   GLU A  34       4.620   7.557  -5.570  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.905  10.098  -5.281  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.688   7.650  -3.565  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.203   8.524  -3.441  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       4.496   9.854  -3.110  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       5.379   9.144  -1.773  1.00 18.75           H   new
ATOM    556  N   GLY A  35       7.348   7.554  -6.597  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.539   7.121  -7.261  1.00  6.29           C
ATOM    558  C   GLY A  35       9.104   5.829  -6.781  1.00  6.93           C
ATOM    559  O   GLY A  35       9.724   5.105  -7.559  1.00  7.41           O
ATOM      0  H   GLY A  35       6.539   6.948  -6.738  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       8.329   7.033  -8.327  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       9.299   7.894  -7.149  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.880   5.448  -5.510  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.394   4.361  -4.736  1.00  6.07           C
ATOM    565  C   ILE A  36       9.194   3.088  -5.484  1.00  6.36           C
ATOM    566  O   ILE A  36       8.062   2.804  -5.873  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.780   4.304  -3.369  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.683   5.672  -2.674  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.627   3.285  -2.588  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.505   5.768  -1.706  1.00  9.49           C
ATOM      0  H   ILE A  36       8.234   5.996  -4.942  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.461   4.517  -4.580  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.736   3.995  -3.425  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.609   5.864  -2.131  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.589   6.452  -3.430  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.237   3.189  -1.575  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.583   2.317  -3.087  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.661   3.626  -2.548  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.491   6.757  -1.247  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.574   5.606  -2.249  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       7.609   5.010  -0.930  1.00  9.49           H   new
ATOM    582  N   PRO A  37      10.167   2.266  -5.746  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.879   1.082  -6.502  1.00  9.18           C
ATOM    584  C   PRO A  37       8.965   0.111  -5.836  1.00  9.85           C
ATOM    585  O   PRO A  37       8.779   0.302  -4.636  1.00  8.51           O
ATOM    586  CB  PRO A  37      11.262   0.495  -6.775  1.00 11.42           C
ATOM    587  CG  PRO A  37      12.120   1.757  -6.955  1.00  9.27           C
ATOM    588  CD  PRO A  37      11.511   2.773  -5.976  1.00  8.33           C
ATOM      0  HA  PRO A  37       9.318   1.321  -7.406  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      11.613  -0.122  -5.948  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      11.269  -0.133  -7.666  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      13.168   1.562  -6.725  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.081   2.121  -7.982  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      12.082   2.828  -5.049  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.493   3.777  -6.400  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.338  -0.872  -6.410  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.431  -1.721  -5.694  1.00  9.08           C
ATOM    598  C   PRO A  38       8.094  -2.797  -4.905  1.00  9.28           C
ATOM    599  O   PRO A  38       7.494  -3.310  -3.962  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.685  -2.461  -6.802  1.00 10.31           C
ATOM    601  CG  PRO A  38       7.488  -2.349  -8.107  1.00 10.81           C
ATOM    602  CD  PRO A  38       8.516  -1.248  -7.805  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.847  -1.111  -5.004  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.551  -3.508  -6.531  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.690  -2.036  -6.935  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       7.973  -3.291  -8.362  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       6.850  -2.081  -8.949  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       9.530  -1.608  -7.981  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       8.365  -0.389  -8.459  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.370  -3.155  -5.135  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.006  -4.247  -4.466  1.00 14.96           C
ATOM    612  C   ASP A  39      10.554  -3.711  -3.188  1.00 13.99           C
ATOM    613  O   ASP A  39      11.055  -4.449  -2.341  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.103  -4.828  -5.375  1.00 24.16           C
ATOM    615  CG  ASP A  39      12.102  -3.816  -5.915  1.00 31.06           C
ATOM    616  OD1 ASP A  39      11.662  -2.878  -6.632  1.00 34.22           O
ATOM    617  OD2 ASP A  39      13.323  -4.071  -5.735  1.00 35.55           O
ATOM      0  H   ASP A  39       9.974  -2.674  -5.802  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.313  -5.059  -4.247  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      11.648  -5.590  -4.818  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      10.626  -5.329  -6.218  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.473  -2.392  -2.939  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.791  -1.734  -1.710  1.00 10.76           C
ATOM    624  C   GLN A  40       9.629  -1.684  -0.779  1.00  8.01           C
ATOM    625  O   GLN A  40       9.843  -1.656   0.432  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.294  -0.285  -1.827  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.538  -0.302  -2.717  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.142   1.093  -2.786  1.00 16.11           C
ATOM    629  OE1 GLN A  40      12.548   2.099  -2.402  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.295   1.186  -3.502  1.00 18.16           N
ATOM      0  H   GLN A  40      10.160  -1.735  -3.654  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.605  -2.355  -1.336  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      10.523   0.355  -2.257  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.532   0.119  -0.843  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      13.270  -1.006  -2.321  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.276  -0.644  -3.718  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.773   0.340  -3.811  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      14.682   2.102  -3.729  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.380  -1.677  -1.278  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.261  -1.318  -0.463  1.00  3.87           C
ATOM    641  C   GLN A  41       6.663  -2.462   0.282  1.00  4.79           C
ATOM    642  O   GLN A  41       6.193  -3.423  -0.324  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.222  -0.670  -1.393  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.717   0.561  -2.155  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.609   1.036  -3.085  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.449   0.860  -2.716  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.931   1.646  -4.257  1.00  7.13           N
ATOM      0  H   GLN A  41       8.145  -1.919  -2.241  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       7.600  -0.631   0.313  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.887  -1.415  -2.114  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.352  -0.387  -0.800  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.991   1.353  -1.458  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.612   0.317  -2.727  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.910   1.767  -4.517  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.194   1.982  -4.876  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.566  -2.405   1.622  1.00  5.73           N
ATOM    657  CA  ARG A  42       5.712  -3.190   2.458  1.00  6.97           C
ATOM    658  C   ARG A  42       4.660  -2.429   3.190  1.00  7.15           C
ATOM    659  O   ARG A  42       4.984  -1.469   3.887  1.00  7.33           O
ATOM    660  CB  ARG A  42       6.627  -3.931   3.447  1.00 13.23           C
ATOM    661  CG  ARG A  42       5.852  -4.628   4.568  1.00 21.27           C
ATOM    662  CD  ARG A  42       6.573  -5.683   5.408  1.00 26.14           C
ATOM    663  NE  ARG A  42       6.689  -6.946   4.625  1.00 32.26           N
ATOM    664  CZ  ARG A  42       7.310  -8.076   5.072  1.00 34.32           C
ATOM    665  NH1 ARG A  42       7.763  -8.177   6.356  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.460  -9.179   4.281  1.00 36.39           N
ATOM      0  H   ARG A  42       7.134  -1.754   2.165  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.144  -3.864   1.817  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.216  -4.671   2.905  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.330  -3.222   3.885  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       5.486  -3.857   5.247  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       4.977  -5.101   4.122  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       7.563  -5.325   5.690  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       6.025  -5.864   6.332  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.276  -6.967   3.692  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       7.640  -7.398   7.003  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       8.224  -9.031   6.668  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       7.103  -9.174   3.326  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       7.929 -10.008   4.646  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.391  -2.747   2.877  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.248  -1.993   3.290  1.00  3.51           C
ATOM    682  C   LEU A  43       1.629  -2.647   4.477  1.00  5.56           C
ATOM    683  O   LEU A  43       1.144  -3.777   4.455  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.201  -1.942   2.164  1.00  3.74           C
ATOM    685  CG  LEU A  43       0.076  -0.908   2.335  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.654   0.428   2.829  1.00  6.41           C
ATOM    687  CD2 LEU A  43      -0.684  -0.846   0.999  1.00  9.55           C
ATOM      0  H   LEU A  43       3.152  -3.563   2.313  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.570  -0.980   3.533  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.716  -1.737   1.225  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.749  -2.929   2.071  1.00  3.74           H   new
ATOM      0  HG  LEU A  43      -0.643  -1.185   3.106  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43      -0.152   1.152   2.946  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.149   0.278   3.788  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       1.376   0.803   2.103  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43      -1.495  -0.122   1.075  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43      -0.001  -0.544   0.205  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43      -1.096  -1.829   0.769  1.00  9.55           H   new
ATOM    699  N   ILE A  44       1.648  -2.041   5.677  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.019  -2.523   6.868  1.00  5.55           C
ATOM    701  C   ILE A  44      -0.256  -1.769   7.032  1.00  5.46           C
ATOM    702  O   ILE A  44      -0.355  -0.571   6.770  1.00  6.04           O
ATOM    703  CB  ILE A  44       1.984  -2.252   7.983  1.00  6.80           C
ATOM    704  CG1 ILE A  44       3.448  -2.674   7.770  1.00 10.31           C
ATOM    705  CG2 ILE A  44       1.459  -2.915   9.268  1.00  7.39           C
ATOM    706  CD1 ILE A  44       3.705  -4.177   7.672  1.00 13.90           C
ATOM      0  H   ILE A  44       2.134  -1.157   5.825  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       0.782  -3.587   6.846  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       2.025  -1.164   8.040  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       3.812  -2.203   6.857  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.043  -2.277   8.592  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       2.154  -2.724  10.086  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       0.482  -2.501   9.518  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       1.369  -3.990   9.112  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       4.770  -4.355   7.523  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       3.382  -4.662   8.593  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       3.147  -4.587   6.830  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -1.296  -2.460   7.533  1.00  6.75           N
ATOM    719  CA  PHE A  45      -2.543  -1.910   7.966  1.00  4.70           C
ATOM    720  C   PHE A  45      -2.465  -1.343   9.342  1.00  6.34           C
ATOM    721  O   PHE A  45      -2.126  -0.170   9.485  1.00  5.45           O
ATOM    722  CB  PHE A  45      -3.711  -2.903   7.836  1.00  5.51           C
ATOM    723  CG  PHE A  45      -5.088  -2.402   8.108  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -5.420  -1.068   8.138  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -6.140  -3.284   8.028  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -6.711  -0.616   8.277  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -7.444  -2.880   8.193  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -7.725  -1.542   8.339  1.00  6.84           C
ATOM      0  H   PHE A  45      -1.262  -3.474   7.643  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -2.753  -1.085   7.285  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -3.696  -3.306   6.823  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -3.519  -3.735   8.513  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -4.628  -0.340   8.048  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -5.936  -4.326   7.830  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -6.923   0.441   8.336  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -8.241  -3.608   8.208  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -8.742  -1.219   8.502  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -2.767  -2.088  10.421  1.00  6.53           N
ATOM    739  CA  ALA A  46      -2.347  -1.707  11.734  1.00  7.15           C
ATOM    740  C   ALA A  46      -1.186  -2.545  12.148  1.00  9.00           C
ATOM    741  O   ALA A  46      -0.113  -2.080  12.526  1.00 11.15           O
ATOM    742  CB  ALA A  46      -3.524  -1.788  12.720  1.00  8.99           C
ATOM      0  H   ALA A  46      -3.303  -2.955  10.384  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -2.017  -0.668  11.733  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -3.187  -1.495  13.714  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -4.319  -1.117  12.394  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -3.902  -2.810  12.752  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -1.317  -3.873  11.981  1.00  9.35           N
ATOM    749  CA  GLY A  47      -0.285  -4.772  12.396  1.00 11.68           C
ATOM    750  C   GLY A  47      -0.184  -6.039  11.619  1.00 11.14           C
ATOM    751  O   GLY A  47       0.561  -6.964  11.942  1.00 13.93           O
ATOM      0  H   GLY A  47      -2.131  -4.322  11.562  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       0.671  -4.252  12.335  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47      -0.446  -5.022  13.445  1.00 11.68           H   new
ATOM    755  N   LYS A  48      -0.943  -6.097  10.511  1.00 10.47           N
ATOM    756  CA  LYS A  48      -0.853  -7.228   9.640  1.00  8.82           C
ATOM    757  C   LYS A  48      -0.241  -6.722   8.380  1.00  7.68           C
ATOM    758  O   LYS A  48      -0.586  -5.636   7.918  1.00  6.47           O
ATOM    759  CB  LYS A  48      -2.277  -7.659   9.252  1.00  9.74           C
ATOM    760  CG  LYS A  48      -2.331  -8.907   8.369  1.00 14.14           C
ATOM    761  CD  LYS A  48      -3.432  -9.884   8.787  1.00 16.32           C
ATOM    762  CE  LYS A  48      -3.507 -11.145   7.925  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -2.420 -12.138   8.079  1.00 23.92           N
ATOM      0  H   LYS A  48      -1.606  -5.378  10.221  1.00 10.47           H   new
ATOM      0  HA  LYS A  48      -0.300  -8.042  10.108  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -2.850  -7.844  10.161  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -2.765  -6.836   8.730  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -2.492  -8.607   7.334  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -1.367  -9.415   8.407  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -3.270 -10.175   9.825  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -4.393  -9.371   8.746  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -4.452 -11.644   8.138  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -3.538 -10.838   6.880  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -2.591 -12.941   7.441  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -1.509 -11.695   7.843  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -2.396 -12.476   9.062  1.00 23.92           H   new
ATOM    777  N   GLN A  49       0.745  -7.419   7.786  1.00  8.89           N
ATOM    778  CA  GLN A  49       1.148  -7.051   6.465  1.00  7.18           C
ATOM    779  C   GLN A  49       0.156  -7.475   5.437  1.00  8.23           C
ATOM    780  O   GLN A  49      -0.549  -8.477   5.540  1.00  9.70           O
ATOM    781  CB  GLN A  49       2.570  -7.592   6.241  1.00 11.67           C
ATOM    782  CG  GLN A  49       2.704  -9.115   6.185  1.00 15.82           C
ATOM    783  CD  GLN A  49       4.171  -9.451   6.415  1.00 20.21           C
ATOM    784  OE1 GLN A  49       4.821  -9.097   7.398  1.00 23.23           O
ATOM    785  NE2 GLN A  49       4.726 -10.217   5.438  1.00 20.67           N
ATOM      0  H   GLN A  49       1.245  -8.206   8.200  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       1.176  -5.967   6.357  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       2.953  -7.178   5.308  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.210  -7.219   7.041  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       2.079  -9.584   6.945  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       2.370  -9.495   5.219  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       4.168 -10.499   4.632  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       5.700 -10.510   5.511  1.00 20.67           H   new
ATOM    794  N   LEU A  50       0.033  -6.700   4.344  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.910  -6.947   3.298  1.00  7.41           C
ATOM    796  C   LEU A  50      -0.196  -7.788   2.296  1.00  8.27           C
ATOM    797  O   LEU A  50       0.818  -7.359   1.749  1.00  8.34           O
ATOM    798  CB  LEU A  50      -1.611  -5.681   2.778  1.00  7.13           C
ATOM    799  CG  LEU A  50      -2.173  -4.699   3.821  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.910  -3.508   3.186  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -3.199  -5.463   4.675  1.00  8.14           C
ATOM      0  H   LEU A  50       0.609  -5.874   4.183  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.781  -7.498   3.654  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.903  -5.138   2.152  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -2.433  -5.993   2.133  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -1.333  -4.311   4.397  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -3.284  -2.851   3.971  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -2.223  -2.954   2.546  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -3.746  -3.873   2.590  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -3.618  -4.793   5.426  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.999  -5.836   4.035  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -2.709  -6.302   5.169  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.768  -8.942   1.909  1.00  9.43           N
ATOM    814  CA  GLU A  51      -0.260  -9.856   0.933  1.00 11.90           C
ATOM    815  C   GLU A  51      -0.519  -9.437  -0.473  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.646  -9.065  -0.796  1.00  9.88           O
ATOM    817  CB  GLU A  51      -1.002 -11.196   1.067  1.00 16.56           C
ATOM    818  CG  GLU A  51      -0.306 -12.238   0.189  1.00 26.06           C
ATOM    819  CD  GLU A  51      -0.930 -13.570   0.580  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -0.566 -14.214   1.600  1.00 32.13           O
ATOM    821  OE2 GLU A  51      -1.851 -13.952  -0.191  1.00 33.44           O
ATOM      0  H   GLU A  51      -1.651  -9.259   2.309  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       0.813  -9.908   1.118  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.007 -11.522   2.107  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -2.043 -11.082   0.764  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51      -0.459 -12.027  -0.869  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       0.770 -12.242   0.361  1.00 26.06           H   new
ATOM    828  N   ASP A  52       0.493  -9.465  -1.358  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.561  -8.795  -2.619  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.640  -9.071  -3.457  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.254  -8.127  -3.952  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.853  -9.183  -3.358  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.064  -8.490  -2.749  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.198  -7.239  -2.817  1.00 25.82           O
ATOM    835  OD2 ASP A  52       3.952  -9.219  -2.232  1.00 28.37           O
ATOM      0  H   ASP A  52       1.338 -10.005  -1.172  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.577  -7.722  -2.429  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       1.989 -10.264  -3.315  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.768  -8.914  -4.411  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -1.049 -10.330  -3.693  1.00 15.00           N
ATOM    841  CA  GLY A  53      -2.121 -10.699  -4.564  1.00 11.77           C
ATOM    842  C   GLY A  53      -3.500 -10.629  -4.004  1.00 11.10           C
ATOM    843  O   GLY A  53      -4.423 -11.193  -4.590  1.00 11.25           O
ATOM      0  H   GLY A  53      -0.606 -11.135  -3.251  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -2.079 -10.057  -5.444  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -1.945 -11.719  -4.905  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.796 -10.072  -2.816  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.125  -9.955  -2.302  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.682  -8.582  -2.465  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.971  -7.619  -2.746  1.00 11.60           O
ATOM    851  CB  ARG A  54      -5.144 -10.332  -0.811  1.00  7.97           C
ATOM    852  CG  ARG A  54      -4.676 -11.719  -0.364  1.00  9.62           C
ATOM    853  CD  ARG A  54      -5.419 -12.869  -1.046  1.00 12.20           C
ATOM    854  NE  ARG A  54      -4.720 -14.144  -0.717  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -5.167 -15.335  -1.211  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -6.508 -15.486  -1.417  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -4.400 -16.461  -1.136  1.00 25.50           N
ATOM      0  H   ARG A  54      -3.085  -9.690  -2.192  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.750 -10.638  -2.877  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -4.533  -9.599  -0.284  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -6.168 -10.207  -0.458  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -3.610 -11.816  -0.568  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -4.803 -11.805   0.715  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -6.454 -12.906  -0.706  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -5.443 -12.718  -2.125  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -3.897 -14.126  -0.115  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -7.146 -14.720  -1.203  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -6.872 -16.365  -1.785  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -3.476 -16.421  -0.705  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -4.750 -17.343  -1.511  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.019  -8.439  -2.440  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.745  -7.219  -2.616  1.00  9.03           C
ATOM    873  C   THR A  55      -7.863  -6.441  -1.351  1.00  8.15           C
ATOM    874  O   THR A  55      -8.032  -6.965  -0.251  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.085  -7.345  -3.277  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.116  -7.931  -2.496  1.00 11.95           O
ATOM    877  CG2 THR A  55      -9.019  -8.257  -4.514  1.00 11.71           C
ATOM      0  H   THR A  55      -7.637  -9.235  -2.285  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.126  -6.667  -3.323  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.323  -6.303  -3.488  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.554  -8.640  -3.012  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -10.007  -8.326  -4.968  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -8.316  -7.841  -5.236  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.687  -9.251  -4.216  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.104  -5.119  -1.410  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.543  -4.309  -0.316  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.879  -4.746   0.179  1.00  8.05           C
ATOM    888  O   LEU A  56     -10.065  -4.572   1.382  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.617  -2.840  -0.766  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.292  -2.156  -1.144  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.568  -1.037  -2.163  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.448  -1.594   0.012  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.985  -4.585  -2.271  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.827  -4.416   0.499  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.285  -2.783  -1.626  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.079  -2.263   0.035  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.683  -2.959  -1.559  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.630  -0.551  -2.432  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.026  -1.463  -3.056  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.244  -0.303  -1.724  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.542  -1.139  -0.387  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -7.024  -0.842   0.551  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.179  -2.402   0.692  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.787  -5.269  -0.664  1.00  8.92           N
ATOM    905  CA  SER A  57     -12.058  -5.836  -0.335  1.00  9.00           C
ATOM    906  C   SER A  57     -12.052  -6.984   0.616  1.00  9.44           C
ATOM    907  O   SER A  57     -12.817  -7.099   1.572  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.840  -6.286  -1.581  1.00 10.32           C
ATOM    909  OG  SER A  57     -14.204  -6.486  -1.241  1.00 13.59           O
ATOM      0  H   SER A  57     -10.613  -5.296  -1.669  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.541  -4.999   0.170  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.757  -5.534  -2.366  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.414  -7.208  -1.976  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -14.701  -6.771  -2.036  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -11.119  -7.913   0.340  1.00  9.11           N
ATOM    916  CA  ASP A  58     -10.983  -9.102   1.122  1.00  7.91           C
ATOM    917  C   ASP A  58     -10.475  -8.876   2.505  1.00  9.12           C
ATOM    918  O   ASP A  58     -11.004  -9.413   3.477  1.00  8.61           O
ATOM    919  CB  ASP A  58     -10.030 -10.057   0.383  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.916 -11.441   1.006  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.997 -12.087   0.963  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -8.780 -11.911   1.281  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.455  -7.839  -0.430  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -11.983  -9.521   1.237  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58     -10.369 -10.163  -0.648  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -9.039  -9.605   0.348  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -9.563  -7.903   2.681  1.00  7.97           N
ATOM    928  CA  TYR A  59      -9.168  -7.454   3.980  1.00  8.45           C
ATOM    929  C   TYR A  59     -10.160  -6.508   4.565  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.882  -5.900   5.598  1.00 12.95           O
ATOM    931  CB  TYR A  59      -7.876  -6.634   3.834  1.00  7.94           C
ATOM    932  CG  TYR A  59      -6.665  -7.448   3.533  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -6.225  -8.239   4.568  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -6.051  -7.456   2.303  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -5.147  -9.069   4.367  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.877  -8.167   2.210  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -4.434  -9.021   3.192  1.00  6.76           C
ATOM    938  OH  TYR A  59      -3.348  -9.916   3.084  1.00  7.63           O
ATOM      0  H   TYR A  59      -9.094  -7.422   1.913  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -9.063  -8.337   4.611  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -8.013  -5.900   3.040  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -7.706  -6.078   4.756  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.720  -8.209   5.527  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -6.468  -6.932   1.455  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -4.857  -9.766   5.140  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -4.274  -8.048   1.322  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -3.491 -10.513   2.320  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -11.291  -6.228   3.893  1.00 12.38           N
ATOM    949  CA  ASN A  60     -12.241  -5.198   4.176  1.00 13.94           C
ATOM    950  C   ASN A  60     -11.675  -3.881   4.583  1.00 14.16           C
ATOM    951  O   ASN A  60     -12.252  -3.215   5.440  1.00 14.26           O
ATOM    952  CB  ASN A  60     -13.180  -5.829   5.218  1.00 19.23           C
ATOM    953  CG  ASN A  60     -14.394  -4.957   5.509  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -15.008  -4.477   4.557  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -14.760  -4.680   6.789  1.00 24.09           N
ATOM      0  H   ASN A  60     -11.563  -6.775   3.076  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.765  -4.900   3.268  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -13.513  -6.803   4.860  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -12.629  -6.001   6.143  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -15.554  -4.066   6.971  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -14.240  -5.086   7.567  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.587  -3.463   3.912  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.926  -2.204   4.059  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.826  -1.233   3.375  1.00 13.74           C
ATOM    965  O   ILE A  61     -11.197  -1.397   2.214  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.565  -2.176   3.428  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.648  -2.816   4.484  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -8.094  -0.724   3.239  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.183  -2.961   4.074  1.00 11.42           C
ATOM      0  H   ILE A  61     -10.136  -4.053   3.213  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.755  -1.978   5.112  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.560  -2.677   2.460  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -7.696  -2.218   5.394  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -8.039  -3.803   4.731  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -7.105  -0.719   2.780  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.796  -0.195   2.594  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -8.047  -0.228   4.208  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.622  -3.422   4.887  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.114  -3.587   3.184  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.766  -1.977   3.858  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.225  -0.158   4.078  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.064   0.953   3.755  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.362   2.267   3.750  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.224   2.320   4.215  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.305   1.077   4.656  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.877  -0.299   5.002  1.00 26.38           C
ATOM    987  CD  GLN A  62     -15.196  -0.277   5.762  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -15.675   0.749   6.242  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -15.854  -1.455   5.933  1.00 32.71           N
ATOM      0  H   GLN A  62     -10.896  -0.061   5.039  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.381   0.720   2.738  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -13.041   1.605   5.572  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -14.065   1.674   4.152  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -14.017  -0.860   4.078  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.142  -0.842   5.596  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -15.470  -2.315   5.541  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -16.731  -1.478   6.453  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.037   3.274   3.167  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.630   4.610   2.861  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.112   5.396   4.016  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.389   5.117   5.181  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.590   5.403   1.959  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.948   5.448   2.663  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -15.108   5.959   1.807  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -16.356   6.327   2.612  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -17.387   6.824   1.674  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.002   3.124   2.872  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.755   4.440   2.234  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.212   6.411   1.789  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -12.680   4.928   0.982  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.191   4.445   3.014  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.861   6.082   3.545  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.777   6.834   1.248  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.371   5.195   1.076  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.726   5.458   3.157  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.118   7.090   3.353  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -18.244   7.080   2.204  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -17.027   7.662   1.174  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -17.616   6.081   0.984  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.309   6.444   3.760  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -9.891   7.453   4.683  1.00 10.94           C
ATOM   1022  C   GLU A  64      -8.851   6.998   5.647  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.382   7.762   6.490  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.040   8.186   5.397  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -12.013   8.991   4.533  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.714  10.001   5.431  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.198  11.113   5.722  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -13.784   9.642   5.991  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.921   6.597   2.829  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -9.419   8.194   4.038  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.617   7.446   5.952  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -10.602   8.864   6.130  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -11.479   9.500   3.731  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -12.741   8.330   4.062  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.390   5.736   5.591  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.500   5.253   6.601  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.081   5.471   6.203  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.888   5.604   4.996  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.705   3.730   6.664  1.00  7.28           C
ATOM   1040  OG  SER A  65      -7.148   3.140   7.829  1.00 10.56           O
ATOM      0  H   SER A  65      -8.627   5.062   4.863  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.699   5.764   7.543  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -8.772   3.511   6.628  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.256   3.272   5.782  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -7.670   2.349   8.077  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.158   5.514   7.181  1.00  4.48           N
ATOM   1047  CA  THR A  66      -3.748   5.681   7.016  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.078   4.353   7.106  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.209   3.690   8.134  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.191   6.660   8.006  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -3.847   7.907   7.833  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -1.676   6.798   7.779  1.00  3.40           C
ATOM      0  H   THR A  66      -5.420   5.425   8.163  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -3.553   6.100   6.029  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.357   6.314   9.026  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -3.492   8.555   8.477  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.264   7.509   8.496  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.198   5.828   7.914  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -1.491   7.156   6.766  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.437   3.935   6.000  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.633   2.758   5.887  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.204   3.170   5.991  1.00  3.80           C
ATOM   1063  O   LEU A  67       0.113   4.298   5.617  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.914   1.954   4.606  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -3.403   1.631   4.392  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -3.533   0.810   3.098  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -4.037   0.926   5.602  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.485   4.456   5.125  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.886   2.074   6.697  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.546   2.516   3.747  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -1.351   1.022   4.642  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.963   2.561   4.291  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.582   0.568   2.924  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -3.151   1.391   2.259  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -2.959  -0.112   3.193  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -5.088   0.722   5.395  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -3.516  -0.013   5.790  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -3.958   1.568   6.480  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.684   2.278   6.465  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.009   2.635   6.868  1.00  4.17           C
ATOM   1081  C   HIS A  68       2.940   1.929   5.944  1.00  5.32           C
ATOM   1082  O   HIS A  68       2.728   0.771   5.588  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.293   2.145   8.298  1.00  5.57           C
ATOM   1084  CG  HIS A  68       1.670   2.988   9.371  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       2.188   4.152   9.899  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       0.432   2.876   9.922  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       1.269   4.642  10.773  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       0.150   3.943  10.750  1.00 16.30           N
ATOM      0  H   HIS A  68       0.476   1.285   6.571  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       2.130   3.718   6.839  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       1.930   1.122   8.398  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.372   2.117   8.453  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68      -0.245   2.056   9.735  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       1.435   5.499  11.409  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68      -0.725   4.145  11.234  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       4.082   2.480   5.496  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.972   1.895   4.541  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.265   1.505   5.171  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.052   2.315   5.659  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.169   2.831   3.337  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.326   2.167   1.959  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       4.050   1.438   1.506  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       5.633   3.250   0.911  1.00  6.87           C
ATOM      0  H   LEU A  69       4.404   3.392   5.822  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.518   0.977   4.168  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.317   3.510   3.292  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       6.053   3.441   3.522  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.132   1.438   2.047  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       4.216   0.988   0.527  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       3.801   0.659   2.226  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       3.227   2.150   1.443  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       5.746   2.786  -0.069  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       4.814   3.969   0.880  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.557   3.763   1.178  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.521   0.188   5.255  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.659  -0.327   5.952  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.626  -0.690   4.879  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.233  -1.154   3.810  1.00  9.36           O
ATOM   1119  CB  VAL A  70       7.264  -1.475   6.833  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.433  -2.429   7.128  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       6.567  -1.015   8.125  1.00  8.54           C
ATOM      0  H   VAL A  70       5.931  -0.530   4.834  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.111   0.390   6.637  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       6.531  -2.045   6.262  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       8.088  -3.240   7.770  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       8.811  -2.842   6.193  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       9.231  -1.882   7.631  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       6.303  -1.885   8.725  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.240  -0.373   8.693  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       5.663  -0.460   7.873  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.938  -0.428   5.023  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.903  -0.808   4.038  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.077  -2.280   3.889  1.00 18.09           C
ATOM   1134  O   LEU A  71      11.372  -2.980   4.856  1.00 19.26           O
ATOM   1135  CB  LEU A  71      12.223  -0.117   4.419  1.00 17.10           C
ATOM   1136  CG  LEU A  71      13.398  -0.249   3.435  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      13.229   0.574   2.147  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      14.765  -0.125   4.129  1.00 17.51           C
ATOM      0  H   LEU A  71      10.333   0.052   5.831  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.551  -0.488   3.057  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.019   0.944   4.561  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.544  -0.512   5.383  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      13.376  -1.274   3.065  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      14.098   0.428   1.505  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.331   0.248   1.622  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.138   1.630   2.400  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      15.559  -0.226   3.389  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      14.841   0.849   4.612  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      14.865  -0.911   4.878  1.00 17.51           H   new