USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17
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  22 THR OG1 :   rot  -52:sc=   0.466
USER  MOD Set 1.2: A  25 ASN     :      amide:sc=    1.32  K(o=1.8,f=-5!)
USER  MOD Set 2.1: A   7 THR OG1 :   rot  180:sc=   0.174
USER  MOD Set 2.2: A   9 THR OG1 :   rot  180:sc=  -0.153
USER  MOD Single : A   1 MET CE  :methyl -163:sc=  -0.667   (180deg=-1.42!)
USER  MOD Single : A   1 MET N   :NH3+   -157:sc=    1.24   (180deg=1.16)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  K(o=0,f=-0.62)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+    142:sc=    1.22   (180deg=0.843)
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  27 LYS NZ  :NH3+    176:sc=   0.327   (180deg=0.319)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.228  K(o=-0.23,f=-0.99)
USER  MOD Single : A  33 LYS NZ  :NH3+   -162:sc=    1.29   (180deg=1.2)
USER  MOD Single : A  40 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  41 GLN     :      amide:sc= -0.0793  K(o=-0.079,f=-4!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc= -0.0142  X(o=-0.014,f=0)
USER  MOD Single : A  55 THR OG1 :   rot  -64:sc=     1.2
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  141:sc=   0.261
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=0.011)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=-0.084)
USER  MOD Single : A  63 LYS NZ  :NH3+    161:sc=     1.1   (180deg=0.459)
USER  MOD Single : A  65 SER OG  :   rot  151: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     -12.701   4.075  -2.604  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.210   4.395  -1.245  1.00 10.38           C
ATOM      3  C   MET A   1     -10.867   5.022  -1.395  1.00  9.62           C
ATOM      4  O   MET A   1     -10.048   4.525  -2.166  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.170   3.131  -0.370  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.353   3.207   0.922  1.00 16.29           C
ATOM      7  SD  MET A   1     -11.319   1.591   1.754  1.00 17.17           S
ATOM      8  CE  MET A   1     -13.105   1.291   1.889  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.739   4.009  -2.591  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.410   4.824  -3.264  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -12.300   3.167  -2.913  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.880   5.090  -0.739  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.195   2.868  -0.108  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.775   2.314  -0.973  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -10.336   3.528   0.697  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -11.783   3.956   1.587  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -13.288   0.510   2.627  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -13.606   2.208   2.200  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -13.495   0.975   0.922  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.467   6.098  -0.693  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.123   6.585  -0.666  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.410   6.152   0.568  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.023   5.714   1.541  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.022   8.106  -0.876  1.00 14.46           C
ATOM     25  CG  GLN A   2      -9.826   9.012   0.058  1.00 17.01           C
ATOM     26  CD  GLN A   2      -9.490  10.495  -0.004  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -8.435  10.909  -0.480  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -10.331  11.345   0.645  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.106   6.651  -0.121  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.621   6.132  -1.521  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -7.972   8.386  -0.792  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.329   8.324  -1.899  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -10.885   8.889  -0.170  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2      -9.679   8.668   1.082  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -11.205  10.996   1.038  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -10.087  12.331   0.738  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.066   6.203   0.536  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.131   5.993   1.596  1.00  5.07           C
ATOM     39  C   ILE A   3      -4.871   6.745   1.334  1.00  4.01           C
ATOM     40  O   ILE A   3      -4.535   7.232   0.256  1.00  4.61           O
ATOM     41  CB  ILE A   3      -5.738   4.556   1.769  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.377   3.849   0.451  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -6.833   3.732   2.466  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.864   2.417   0.590  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.583   6.417  -0.337  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -6.640   6.337   2.497  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -4.846   4.601   2.394  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.259   3.839  -0.189  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -4.618   4.440  -0.061  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -6.501   2.699   2.568  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.029   4.149   3.454  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -7.746   3.763   1.871  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.640   2.013  -0.397  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -3.959   2.412   1.198  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.626   1.802   1.069  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -4.069   7.052   2.369  1.00  4.55           N
ATOM     57  CA  PHE A   4      -2.916   7.894   2.286  1.00  4.68           C
ATOM     58  C   PHE A   4      -1.643   7.174   2.572  1.00  5.30           C
ATOM     59  O   PHE A   4      -1.359   6.835   3.720  1.00  5.58           O
ATOM     60  CB  PHE A   4      -2.951   9.120   3.215  1.00  4.83           C
ATOM     61  CG  PHE A   4      -4.212   9.912   3.168  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -4.648  10.381   1.951  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -5.115  10.073   4.192  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -5.821  11.071   1.759  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -6.361  10.636   4.050  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -6.718  11.087   2.801  1.00  8.90           C
ATOM      0  H   PHE A   4      -4.233   6.695   3.310  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -2.947   8.228   1.249  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -2.788   8.785   4.239  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -2.119   9.775   2.958  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.027  10.194   1.088  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -4.826   9.734   5.176  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -6.029  11.579   0.829  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -7.035  10.721   4.889  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -7.718  11.459   2.636  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -0.767   6.908   1.587  1.00  4.44           N
ATOM     77  CA  VAL A   5       0.415   6.154   1.868  1.00  3.87           C
ATOM     78  C   VAL A   5       1.588   7.069   1.945  1.00  4.93           C
ATOM     79  O   VAL A   5       1.966   7.687   0.951  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.609   5.075   0.843  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.801   4.219   1.304  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.651   4.250   0.532  1.00  9.13           C
ATOM      0  H   VAL A   5      -0.872   7.207   0.617  1.00  4.44           H   new
ATOM      0  HA  VAL A   5       0.310   5.661   2.834  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.823   5.537  -0.121  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.976   3.420   0.583  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.691   4.844   1.376  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.582   3.786   2.280  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.416   3.495  -0.218  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.999   3.761   1.442  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.432   4.908   0.152  1.00  9.13           H   new
ATOM     92  N   LYS A   6       2.225   7.215   3.120  1.00  6.04           N
ATOM     93  CA  LYS A   6       3.279   8.155   3.348  1.00  6.12           C
ATOM     94  C   LYS A   6       4.647   7.573   3.250  1.00  6.57           C
ATOM     95  O   LYS A   6       4.915   6.410   3.546  1.00  5.76           O
ATOM     96  CB  LYS A   6       3.177   8.746   4.764  1.00  7.45           C
ATOM     97  CG  LYS A   6       1.990   9.706   4.874  1.00 11.12           C
ATOM     98  CD  LYS A   6       1.727  10.192   6.300  1.00 14.54           C
ATOM     99  CE  LYS A   6       0.331  10.810   6.401  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -0.119  11.233   7.746  1.00 20.55           N
ATOM      0  H   LYS A   6       1.998   6.657   3.943  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       3.149   8.902   2.565  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       3.067   7.941   5.491  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       4.099   9.273   5.009  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       2.170  10.569   4.232  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       1.096   9.210   4.497  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       1.815   9.359   6.997  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       2.479  10.927   6.586  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       0.296  11.678   5.743  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -0.388  10.088   6.014  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -1.076  11.634   7.682  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -0.130  10.411   8.383  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       0.533  11.952   8.120  1.00 20.55           H   new
ATOM    114  N   THR A   7       5.585   8.399   2.754  1.00  7.41           N
ATOM    115  CA  THR A   7       6.959   8.002   2.761  1.00  7.48           C
ATOM    116  C   THR A   7       7.574   8.370   4.067  1.00  8.75           C
ATOM    117  O   THR A   7       6.925   8.844   4.998  1.00  8.58           O
ATOM    118  CB  THR A   7       7.789   8.350   1.561  1.00  9.61           C
ATOM    119  OG1 THR A   7       7.772   9.766   1.458  1.00 11.78           O
ATOM    120  CG2 THR A   7       7.077   7.742   0.341  1.00  9.17           C
ATOM      0  H   THR A   7       5.400   9.320   2.357  1.00  7.41           H   new
ATOM      0  HA  THR A   7       6.951   6.917   2.658  1.00  7.48           H   new
ATOM      0  HB  THR A   7       8.813   7.982   1.627  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       8.306  10.044   0.684  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       7.644   7.969  -0.562  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       7.005   6.661   0.463  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       6.076   8.165   0.256  1.00  9.17           H   new
ATOM    128  N   LEU A   8       8.889   8.102   4.160  1.00  9.84           N
ATOM    129  CA  LEU A   8       9.820   8.529   5.158  1.00 14.15           C
ATOM    130  C   LEU A   8      10.048   9.999   5.064  1.00 17.37           C
ATOM    131  O   LEU A   8       9.585  10.789   5.885  1.00 17.01           O
ATOM    132  CB  LEU A   8      11.057   7.629   4.993  1.00 16.63           C
ATOM    133  CG  LEU A   8      12.180   7.829   6.024  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.682   7.590   7.460  1.00 18.59           C
ATOM    135  CD2 LEU A   8      13.420   6.968   5.731  1.00 19.31           C
ATOM      0  H   LEU A   8       9.347   7.522   3.457  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       9.460   8.408   6.180  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.733   6.589   5.036  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      11.471   7.793   3.998  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      12.485   8.872   5.935  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      12.504   7.741   8.160  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      10.878   8.290   7.688  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.310   6.569   7.551  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      14.179   7.152   6.492  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      13.142   5.914   5.743  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      13.819   7.227   4.750  1.00 19.31           H   new
ATOM    147  N   THR A   9      10.585  10.526   3.950  1.00 18.33           N
ATOM    148  CA  THR A   9      10.816  11.902   3.639  1.00 19.24           C
ATOM    149  C   THR A   9       9.661  12.842   3.576  1.00 19.48           C
ATOM    150  O   THR A   9       9.612  13.800   4.345  1.00 23.14           O
ATOM    151  CB  THR A   9      11.587  12.180   2.383  1.00 18.97           C
ATOM    152  OG1 THR A   9      10.901  11.592   1.288  1.00 20.24           O
ATOM    153  CG2 THR A   9      12.993  11.591   2.591  1.00 19.70           C
ATOM      0  H   THR A   9      10.889   9.921   3.187  1.00 18.33           H   new
ATOM      0  HA  THR A   9      11.392  12.102   4.542  1.00 19.24           H   new
ATOM      0  HB  THR A   9      11.677  13.244   2.165  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      11.395  11.768   0.460  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      13.597  11.768   1.701  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      13.464  12.069   3.450  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      12.915  10.519   2.770  1.00 19.70           H   new
ATOM    161  N   GLY A  10       8.719  12.792   2.617  1.00 19.43           N
ATOM    162  CA  GLY A  10       7.741  13.835   2.586  1.00 18.74           C
ATOM    163  C   GLY A  10       7.056  13.839   1.263  1.00 17.62           C
ATOM    164  O   GLY A  10       6.735  14.905   0.740  1.00 19.74           O
ATOM      0  H   GLY A  10       8.633  12.072   1.899  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       7.013  13.688   3.383  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       8.217  14.799   2.763  1.00 18.74           H   new
ATOM    168  N   LYS A  11       6.640  12.658   0.772  1.00 13.56           N
ATOM    169  CA  LYS A  11       5.608  12.520  -0.208  1.00 11.91           C
ATOM    170  C   LYS A  11       4.474  11.724   0.340  1.00 10.18           C
ATOM    171  O   LYS A  11       4.655  10.745   1.062  1.00  9.10           O
ATOM    172  CB  LYS A  11       6.101  11.685  -1.402  1.00 13.43           C
ATOM    173  CG  LYS A  11       6.874  12.607  -2.346  1.00 16.69           C
ATOM    174  CD  LYS A  11       7.249  11.935  -3.669  1.00 17.92           C
ATOM    175  CE  LYS A  11       6.039  11.441  -4.465  1.00 20.81           C
ATOM    176  NZ  LYS A  11       6.555  11.053  -5.797  1.00 21.93           N
ATOM      0  H   LYS A  11       7.037  11.766   1.068  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       5.318  13.531  -0.494  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.740  10.871  -1.058  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.258  11.230  -1.922  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       6.272  13.492  -2.553  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       7.782  12.948  -1.848  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       7.812  12.641  -4.279  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       7.909  11.092  -3.465  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       5.565  10.594  -3.969  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       5.284  12.222  -4.552  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       6.059  10.200  -6.126  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       6.394  11.829  -6.471  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       7.574  10.857  -5.731  1.00 21.93           H   new
ATOM    190  N   THR A  12       3.234  12.121   0.003  1.00  9.63           N
ATOM    191  CA  THR A  12       2.115  11.279   0.293  1.00  9.85           C
ATOM    192  C   THR A  12       1.611  10.775  -1.015  1.00 11.66           C
ATOM    193  O   THR A  12       1.263  11.539  -1.914  1.00 12.33           O
ATOM    194  CB  THR A  12       1.037  12.019   1.027  1.00 10.85           C
ATOM    195  OG1 THR A  12       1.488  12.555   2.262  1.00 10.91           O
ATOM    196  CG2 THR A  12       0.013  10.945   1.431  1.00  9.63           C
ATOM      0  H   THR A  12       3.008  13.002  -0.459  1.00  9.63           H   new
ATOM      0  HA  THR A  12       2.418  10.459   0.945  1.00  9.85           H   new
ATOM      0  HB  THR A  12       0.670  12.825   0.391  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       0.751  13.029   2.702  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -0.809  11.412   1.974  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -0.374  10.457   0.537  1.00  9.63           H   new
ATOM      0 HG23 THR A  12       0.495  10.204   2.069  1.00  9.63           H   new
ATOM    204  N   ILE A  13       1.514   9.441  -1.160  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.876   8.705  -2.206  1.00 11.84           C
ATOM    206  C   ILE A  13      -0.573   8.595  -1.874  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.046   7.915  -0.965  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.534   7.377  -2.437  1.00 14.86           C
ATOM    209  CG1 ILE A  13       3.067   7.489  -2.473  1.00 14.87           C
ATOM    210  CG2 ILE A  13       1.121   6.792  -3.798  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.789   6.170  -2.747  1.00 16.46           C
ATOM      0  H   ILE A  13       1.928   8.815  -0.469  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.979   9.231  -3.155  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.216   6.743  -1.609  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       3.349   8.210  -3.240  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       3.413   7.887  -1.519  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.610   5.829  -3.944  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       0.040   6.657  -3.823  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       1.420   7.475  -4.593  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       4.866   6.339  -2.755  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.541   5.450  -1.967  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.476   5.778  -3.715  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.417   9.325  -2.625  1.00  9.39           N
ATOM    224  CA  THR A  14      -2.816   9.341  -2.329  1.00  9.63           C
ATOM    225  C   THR A  14      -3.574   8.372  -3.169  1.00 11.20           C
ATOM    226  O   THR A  14      -3.957   8.637  -4.307  1.00 11.63           O
ATOM    227  CB  THR A  14      -3.408  10.701  -2.556  1.00 10.38           C
ATOM    228  OG1 THR A  14      -2.747  11.715  -1.814  1.00 16.30           O
ATOM    229  CG2 THR A  14      -4.845  10.682  -2.009  1.00 11.66           C
ATOM      0  H   THR A  14      -1.138   9.895  -3.424  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -2.901   9.062  -1.279  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -3.331  10.913  -3.622  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -3.168  12.581  -1.997  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -5.304  11.659  -2.159  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -5.425   9.924  -2.535  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -4.826  10.450  -0.944  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.884   7.167  -2.660  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.402   6.119  -3.484  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.884   6.008  -3.382  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.429   6.403  -2.352  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.832   4.715  -3.221  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.347   4.582  -3.597  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.748   3.201  -3.284  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.159   4.784  -5.110  1.00 15.88           C
ATOM      0  H   LEU A  15      -3.776   6.918  -1.677  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -4.082   6.430  -4.479  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.956   4.472  -2.166  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.410   3.984  -3.786  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.841   5.341  -3.000  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -0.698   3.185  -3.577  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.829   3.003  -2.215  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.291   2.435  -3.837  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.103   4.687  -5.362  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.732   4.031  -5.652  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.509   5.777  -5.391  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.549   5.616  -4.484  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.885   5.106  -4.502  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.925   3.659  -4.853  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.299   3.171  -5.793  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.816   5.886  -5.445  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.058   7.390  -5.303  1.00 23.33           C
ATOM    262  CD  GLU A  16     -10.107   7.879  -6.291  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -11.304   7.727  -5.927  1.00 28.90           O
ATOM    264  OE2 GLU A  16      -9.767   8.386  -7.394  1.00 28.86           O
ATOM      0  H   GLU A  16      -6.131   5.658  -5.413  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.252   5.237  -3.484  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.442   5.724  -6.456  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.793   5.406  -5.386  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.381   7.614  -4.286  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -8.124   7.927  -5.466  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.738   3.060  -3.964  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.789   1.636  -3.852  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.177   1.155  -3.601  1.00  8.04           C
ATOM    274  O   VAL A  17     -11.002   1.972  -3.194  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.915   1.067  -2.774  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.464   1.539  -2.964  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.294   1.608  -1.385  1.00 10.54           C
ATOM      0  H   VAL A  17      -9.357   3.560  -3.326  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.416   1.286  -4.815  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -8.034  -0.015  -2.837  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.839   1.120  -2.176  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.097   1.205  -3.934  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.426   2.627  -2.917  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.637   1.171  -0.633  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -8.186   2.693  -1.375  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.328   1.344  -1.161  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.473  -0.120  -3.911  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.588  -0.805  -3.334  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.192  -1.621  -2.152  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.018  -1.970  -2.040  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.285  -1.638  -4.424  1.00 10.28           C
ATOM    292  CG  GLU A  18     -13.089  -0.777  -5.400  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.821  -1.541  -6.494  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.127  -2.221  -7.296  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -15.079  -1.510  -6.569  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.933  -0.682  -4.569  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.299  -0.073  -2.952  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.536  -2.205  -4.977  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.949  -2.363  -3.953  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -13.819  -0.200  -4.833  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.413  -0.062  -5.869  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.017  -2.048  -1.242  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.518  -2.746  -0.094  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.429  -4.197  -0.419  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.856  -4.972   0.345  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.583  -2.489   0.970  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.889  -2.225   0.204  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.310  -1.433  -0.979  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.528  -2.426   0.230  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -12.686  -3.347   1.634  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.316  -1.635   1.592  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.389  -3.142  -0.107  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.610  -1.650   0.785  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.961  -1.493  -1.851  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.203  -0.377  -0.733  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.879  -4.468  -1.658  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.791  -5.680  -2.410  1.00  6.28           C
ATOM    318  C   SER A  20     -10.465  -5.821  -3.075  1.00  8.45           C
ATOM    319  O   SER A  20     -10.145  -6.938  -3.479  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.922  -5.748  -3.449  1.00  8.57           C
ATOM    321  OG  SER A  20     -14.146  -5.349  -2.849  1.00 11.13           O
ATOM      0  H   SER A  20     -12.362  -3.746  -2.193  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.899  -6.510  -1.712  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -12.692  -5.100  -4.295  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.010  -6.762  -3.839  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -14.865  -5.391  -3.513  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.671  -4.748  -3.246  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.373  -4.878  -3.831  1.00  7.70           C
ATOM    329  C   ASP A  21      -7.324  -5.423  -2.923  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.433  -5.213  -1.716  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.775  -3.528  -4.262  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.584  -2.877  -5.375  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -9.186  -3.573  -6.236  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.508  -1.622  -5.447  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.926  -3.797  -2.981  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -8.580  -5.555  -4.660  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.735  -2.858  -3.403  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.749  -3.677  -4.598  1.00 11.00           H   new
ATOM    339  N   THR A  22      -6.279  -6.082  -3.454  1.00  5.37           N
ATOM    340  CA  THR A  22      -5.274  -6.757  -2.692  1.00  6.01           C
ATOM    341  C   THR A  22      -4.153  -5.829  -2.370  1.00  8.01           C
ATOM    342  O   THR A  22      -4.063  -4.715  -2.884  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.787  -8.063  -3.247  1.00  8.92           C
ATOM    344  OG1 THR A  22      -4.341  -7.883  -4.583  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.951  -9.067  -3.204  1.00  9.65           C
ATOM      0  H   THR A  22      -6.128  -6.147  -4.461  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.775  -7.057  -1.772  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.951  -8.438  -2.656  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -5.041  -7.438  -5.104  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -5.620 -10.026  -3.603  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -6.281  -9.198  -2.173  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.779  -8.690  -3.805  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.235  -6.333  -1.527  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.030  -5.594  -1.308  1.00  9.92           C
ATOM    355  C   ILE A  23      -1.152  -5.608  -2.511  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.309  -4.733  -2.701  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.349  -5.999  -0.034  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.393  -5.882   1.090  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.130  -5.106   0.248  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.113  -4.535   1.112  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.317  -7.212  -1.017  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.294  -4.547  -1.161  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.975  -7.020  -0.105  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.130  -6.677   0.976  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -1.901  -6.038   2.050  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23       0.345  -5.421   1.177  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.583  -5.194  -0.572  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.452  -4.069   0.339  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.835  -4.521   1.929  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.386  -3.736   1.257  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.633  -4.385   0.166  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -1.326  -6.644  -3.351  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.713  -6.746  -4.639  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.217  -5.740  -5.616  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.479  -5.146  -6.400  1.00 10.62           O
ATOM    376  CB  GLU A  24      -0.775  -8.178  -5.197  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.005  -8.362  -6.500  1.00 27.76           C
ATOM    378  CD  GLU A  24      -0.018  -9.814  -6.956  1.00 32.92           C
ATOM    379  OE1 GLU A  24       0.516 -10.681  -6.213  1.00 36.51           O
ATOM    380  OE2 GLU A  24      -0.617 -10.048  -8.040  1.00 34.80           O
ATOM      0  H   GLU A  24      -1.918  -7.443  -3.123  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.339  -6.505  -4.486  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.384  -8.868  -4.449  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -1.817  -8.448  -5.366  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -0.424  -7.728  -7.276  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.036  -8.039  -6.358  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.522  -5.416  -5.662  1.00  9.43           N
ATOM    388  CA  ASN A  25      -3.031  -4.293  -6.386  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.583  -2.975  -5.855  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.500  -2.037  -6.647  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.560  -4.432  -6.477  1.00 16.78           C
ATOM    392  CG  ASN A  25      -5.122  -5.717  -7.067  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.952  -6.295  -6.367  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.798  -6.096  -8.333  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.245  -5.952  -5.181  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.609  -4.304  -7.391  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.967  -4.319  -5.472  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.937  -3.598  -7.069  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -5.254  -6.905  -8.756  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -4.099  -5.571  -8.859  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.439  -2.732  -4.540  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.178  -1.446  -3.972  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.760  -1.081  -4.245  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.453   0.096  -4.431  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.465  -1.378  -2.502  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.100  -0.086  -1.751  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.946  -1.694  -2.235  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.508  -3.469  -3.838  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.856  -0.732  -4.441  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.785  -2.127  -2.097  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.367  -0.189  -0.699  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.029   0.095  -1.837  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.645   0.753  -2.184  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.142  -1.641  -1.164  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.572  -0.969  -2.754  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.175  -2.696  -2.597  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.209  -2.013  -4.278  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.588  -1.924  -4.646  1.00  4.14           C
ATOM    419  C   LYS A  27       1.672  -1.657  -6.110  1.00  5.58           C
ATOM    420  O   LYS A  27       2.411  -0.796  -6.586  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.456  -3.164  -4.372  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.798  -3.387  -2.898  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.871  -4.453  -2.666  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.621  -5.844  -3.252  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.671  -6.756  -2.745  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.015  -2.970  -4.004  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.985  -1.129  -4.015  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       1.937  -4.045  -4.749  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.384  -3.074  -4.937  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.136  -2.445  -2.467  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.892  -3.675  -2.364  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.810  -4.080  -3.074  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       4.011  -4.561  -1.590  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       2.633  -6.205  -2.965  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.643  -5.807  -4.341  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.481  -7.723  -3.077  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.599  -6.446  -3.096  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.671  -6.741  -1.705  1.00 15.47           H   new
ATOM    439  N   ALA A  28       0.819  -2.331  -6.901  1.00  6.61           N
ATOM    440  CA  ALA A  28       0.730  -2.289  -8.328  1.00  7.74           C
ATOM    441  C   ALA A  28       0.147  -1.011  -8.823  1.00  9.17           C
ATOM    442  O   ALA A  28       0.573  -0.463  -9.839  1.00 11.45           O
ATOM    443  CB  ALA A  28      -0.028  -3.513  -8.870  1.00  7.68           C
ATOM      0  H   ALA A  28       0.127  -2.965  -6.502  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       1.748  -2.330  -8.716  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28      -0.081  -3.456  -9.957  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.496  -4.423  -8.580  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -1.037  -3.528  -8.458  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -0.797  -0.367  -8.114  1.00  8.96           N
ATOM    450  CA  LYS A  29      -1.191   0.979  -8.394  1.00  7.90           C
ATOM    451  C   LYS A  29      -0.105   1.987  -8.243  1.00  6.92           C
ATOM    452  O   LYS A  29       0.035   2.820  -9.137  1.00  6.87           O
ATOM    453  CB  LYS A  29      -2.253   1.345  -7.343  1.00 10.28           C
ATOM    454  CG  LYS A  29      -3.598   0.735  -7.742  1.00 14.94           C
ATOM    455  CD  LYS A  29      -4.579   1.083  -6.620  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.787   0.152  -6.741  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -6.694   0.448  -7.872  1.00 24.98           N
ATOM      0  H   LYS A  29      -1.296  -0.789  -7.331  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -1.524   1.007  -9.432  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.951   0.977  -6.362  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -2.342   2.428  -7.263  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -3.940   1.138  -8.696  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -3.514  -0.345  -7.864  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.102   0.964  -5.647  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.892   2.124  -6.697  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.429  -0.873  -6.841  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.359   0.201  -5.814  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -7.481  -0.232  -7.873  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -7.070   1.412  -7.772  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -6.169   0.372  -8.767  1.00 24.98           H   new
ATOM    471  N   ILE A  30       0.824   1.790  -7.290  1.00  4.57           N
ATOM    472  CA  ILE A  30       1.970   2.639  -7.187  1.00  5.58           C
ATOM    473  C   ILE A  30       2.927   2.354  -8.294  1.00  7.26           C
ATOM    474  O   ILE A  30       3.378   3.321  -8.906  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.614   2.498  -5.840  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.625   2.959  -4.756  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.061   3.020  -5.800  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.223   2.405  -3.464  1.00  2.00           C
ATOM      0  H   ILE A  30       0.782   1.046  -6.594  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.651   3.677  -7.286  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.803   1.451  -5.601  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.542   4.045  -4.725  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.624   2.567  -4.934  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.468   2.888  -4.797  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.668   2.464  -6.514  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.073   4.078  -6.060  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.588   2.680  -2.622  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.288   1.319  -3.530  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       3.220   2.820  -3.317  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.194   1.094  -8.679  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.058   0.669  -9.737  1.00  8.67           C
ATOM    492  C   GLN A  31       3.703   1.237 -11.068  1.00 10.90           C
ATOM    493  O   GLN A  31       4.507   1.764 -11.835  1.00  9.63           O
ATOM    494  CB  GLN A  31       4.097  -0.852  -9.962  1.00  9.12           C
ATOM    495  CG  GLN A  31       4.882  -1.443 -11.135  1.00 10.76           C
ATOM    496  CD  GLN A  31       4.689  -2.926 -11.419  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.607  -3.745 -11.428  1.00 14.48           O
ATOM    498  NE2 GLN A  31       3.411  -3.343 -11.621  1.00 14.76           N
ATOM      0  H   GLN A  31       2.764   0.300  -8.204  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.022   1.035  -9.383  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.492  -1.302  -9.051  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       3.065  -1.189 -10.063  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       4.615  -0.888 -12.035  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       5.943  -1.268 -10.955  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       2.647  -2.667 -11.614  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       3.216  -4.332 -11.779  1.00 14.76           H   new
ATOM    507  N   ASP A  32       2.400   1.285 -11.398  1.00 10.93           N
ATOM    508  CA  ASP A  32       1.828   1.787 -12.609  1.00 14.01           C
ATOM    509  C   ASP A  32       2.023   3.260 -12.716  1.00 14.04           C
ATOM    510  O   ASP A  32       2.471   3.607 -13.808  1.00 13.39           O
ATOM    511  CB  ASP A  32       0.343   1.414 -12.750  1.00 18.01           C
ATOM    512  CG  ASP A  32      -0.245   1.601 -14.141  1.00 24.33           C
ATOM    513  OD1 ASP A  32       0.172   0.820 -15.038  1.00 25.17           O
ATOM    514  OD2 ASP A  32      -1.208   2.407 -14.251  1.00 26.29           O
ATOM      0  H   ASP A  32       1.684   0.941 -10.758  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       2.354   1.309 -13.435  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       0.218   0.371 -12.458  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32      -0.234   2.014 -12.046  1.00 18.01           H   new
ATOM    519  N   LYS A  33       1.844   4.126 -11.702  1.00 14.22           N
ATOM    520  CA  LYS A  33       1.880   5.554 -11.756  1.00 14.00           C
ATOM    521  C   LYS A  33       3.117   6.248 -11.299  1.00 12.37           C
ATOM    522  O   LYS A  33       3.649   7.101 -12.008  1.00 12.17           O
ATOM    523  CB  LYS A  33       0.726   6.074 -10.883  1.00 18.62           C
ATOM    524  CG  LYS A  33      -0.688   5.646 -11.281  1.00 24.00           C
ATOM    525  CD  LYS A  33      -1.088   5.853 -12.743  1.00 27.61           C
ATOM    526  CE  LYS A  33      -2.551   5.607 -13.118  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -2.820   4.160 -12.960  1.00 30.06           N
ATOM      0  H   LYS A  33       1.657   3.792 -10.757  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       1.817   5.782 -12.820  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       0.903   5.749  -9.858  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       0.764   7.163 -10.884  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33      -0.801   4.588 -11.045  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33      -1.396   6.190 -10.655  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -0.838   6.878 -13.018  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -0.469   5.199 -13.357  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -3.213   6.191 -12.478  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -2.741   5.921 -14.144  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -3.683   3.908 -13.483  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -2.017   3.615 -13.334  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -2.949   3.939 -11.952  1.00 30.06           H   new
ATOM    541  N   GLU A  34       3.672   5.779 -10.166  1.00 10.11           N
ATOM    542  CA  GLU A  34       4.810   6.376  -9.540  1.00 10.07           C
ATOM    543  C   GLU A  34       6.052   5.729 -10.049  1.00  9.32           C
ATOM    544  O   GLU A  34       7.083   6.374 -10.233  1.00 11.61           O
ATOM    545  CB  GLU A  34       4.671   6.221  -8.016  1.00 14.77           C
ATOM    546  CG  GLU A  34       3.637   7.124  -7.341  1.00 18.75           C
ATOM    547  CD  GLU A  34       4.024   8.575  -7.594  1.00 22.28           C
ATOM    548  OE1 GLU A  34       5.022   9.088  -7.021  1.00 21.95           O
ATOM    549  OE2 GLU A  34       3.254   9.245  -8.332  1.00 25.19           O
ATOM      0  H   GLU A  34       3.318   4.960  -9.671  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       4.869   7.439  -9.776  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       4.416   5.184  -7.798  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       5.643   6.412  -7.561  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       2.642   6.923  -7.738  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       3.600   6.923  -6.270  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.030   4.403 -10.274  1.00  7.22           N
ATOM    557  CA  GLY A  35       7.126   3.774 -10.943  1.00  6.29           C
ATOM    558  C   GLY A  35       8.035   3.000 -10.052  1.00  6.93           C
ATOM    559  O   GLY A  35       9.160   2.717 -10.462  1.00  7.41           O
ATOM      0  H   GLY A  35       5.272   3.778 -10.000  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       6.732   3.105 -11.708  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       7.708   4.539 -11.458  1.00  6.29           H   new
ATOM    563  N   ILE A  36       7.550   2.583  -8.869  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.295   1.907  -7.852  1.00  6.07           C
ATOM    565  C   ILE A  36       8.178   0.436  -8.053  1.00  6.36           C
ATOM    566  O   ILE A  36       7.018   0.029  -8.017  1.00  6.18           O
ATOM    567  CB  ILE A  36       7.966   2.251  -6.430  1.00  7.47           C
ATOM    568  CG1 ILE A  36       7.972   3.776  -6.229  1.00  8.52           C
ATOM    569  CG2 ILE A  36       8.988   1.556  -5.513  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.556   4.251  -4.837  1.00  9.49           C
ATOM      0  H   ILE A  36       6.575   2.727  -8.606  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.317   2.264  -7.980  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       6.965   1.901  -6.180  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       8.974   4.150  -6.438  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       7.304   4.226  -6.964  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.765   1.795  -4.473  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.932   0.477  -5.658  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36       9.992   1.903  -5.758  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.593   5.340  -4.798  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.541   3.915  -4.626  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       8.237   3.838  -4.093  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.107  -0.456  -8.229  1.00  8.65           N
ATOM    583  CA  PRO A  37       8.815  -1.848  -8.410  1.00  9.18           C
ATOM    584  C   PRO A  37       8.213  -2.513  -7.220  1.00  9.85           C
ATOM    585  O   PRO A  37       8.441  -2.004  -6.124  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.164  -2.490  -8.726  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.264  -1.421  -8.822  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.543  -0.230  -8.171  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.068  -1.962  -9.195  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.419  -3.213  -7.951  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.100  -3.039  -9.666  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      12.168  -1.705  -8.283  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      11.557  -1.217  -9.852  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      10.865  -0.115  -7.136  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      10.800   0.694  -8.689  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.361  -3.486  -7.354  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.497  -3.903  -6.288  1.00  9.08           C
ATOM    598  C   PRO A  38       7.185  -4.775  -5.295  1.00  9.28           C
ATOM    599  O   PRO A  38       6.710  -5.063  -4.197  1.00  6.50           O
ATOM    600  CB  PRO A  38       5.525  -4.760  -7.097  1.00 10.31           C
ATOM    601  CG  PRO A  38       6.391  -5.529  -8.107  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.295  -4.356  -8.518  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.085  -3.080  -5.704  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       4.976  -5.445  -6.451  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       4.787  -4.140  -7.606  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       6.940  -6.357  -7.658  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       5.818  -5.940  -8.938  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       8.287  -4.707  -8.802  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.885  -3.828  -9.379  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.427  -5.218  -5.558  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.203  -6.042  -4.684  1.00 14.96           C
ATOM    612  C   ASP A  39       9.890  -5.178  -3.683  1.00 13.99           C
ATOM    613  O   ASP A  39      10.119  -5.553  -2.534  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.194  -6.843  -5.545  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.263  -6.078  -6.313  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.879  -5.216  -7.149  1.00 35.55           O
ATOM    617  OD2 ASP A  39      12.436  -6.529  -6.218  1.00 34.22           O
ATOM      0  H   ASP A  39       8.915  -4.990  -6.424  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.580  -6.745  -4.131  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.699  -7.557  -4.894  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39       9.616  -7.422  -6.266  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.276  -3.978  -4.151  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.144  -2.987  -3.594  1.00 10.76           C
ATOM    624  C   GLN A  40      10.433  -2.097  -2.634  1.00  8.01           C
ATOM    625  O   GLN A  40      11.070  -1.547  -1.736  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.800  -2.156  -4.710  1.00 11.14           C
ATOM    627  CG  GLN A  40      13.079  -1.504  -4.181  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.719  -0.611  -5.234  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.497   0.597  -5.297  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.615  -1.164  -6.095  1.00 18.16           N
ATOM      0  H   GLN A  40       9.923  -3.662  -5.054  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.921  -3.512  -3.038  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.031  -2.793  -5.564  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.108  -1.391  -5.062  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.850  -0.916  -3.293  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.785  -2.277  -3.878  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.810  -2.164  -6.055  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.092  -0.578  -6.780  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.116  -1.892  -2.810  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.298  -1.300  -1.797  1.00  3.87           C
ATOM    641  C   GLN A  41       7.666  -2.310  -0.902  1.00  4.79           C
ATOM    642  O   GLN A  41       7.418  -3.476  -1.202  1.00  6.34           O
ATOM    643  CB  GLN A  41       7.174  -0.512  -2.492  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.363  -1.363  -3.472  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.126  -0.662  -4.016  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.178  -0.391  -3.281  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.074  -0.474  -5.362  1.00  7.13           N
ATOM      0  H   GLN A  41       8.613  -2.139  -3.662  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.937  -0.665  -1.184  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.505  -0.102  -1.736  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       7.608   0.333  -3.026  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.003  -1.649  -4.306  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       6.058  -2.283  -2.974  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       5.880  -0.710  -5.941  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.229  -0.097  -5.792  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.331  -1.865   0.323  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.491  -2.647   1.175  1.00  6.97           C
ATOM    658  C   ARG A  42       5.562  -1.759   1.929  1.00  7.15           C
ATOM    659  O   ARG A  42       5.910  -0.637   2.296  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.298  -3.547   2.126  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.628  -4.822   2.643  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.673  -5.549   3.492  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.341  -6.995   3.624  1.00 32.26           N
ATOM    664  CZ  ARG A  42       8.254  -8.010   3.648  1.00 34.32           C
ATOM    665  NH1 ARG A  42       9.567  -7.849   3.311  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.761  -9.273   3.803  1.00 36.39           N
ATOM      0  H   ARG A  42       7.637  -0.976   0.719  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.906  -3.315   0.543  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.217  -3.835   1.615  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.588  -2.947   2.989  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       5.745  -4.583   3.236  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.296  -5.449   1.815  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.657  -5.438   3.037  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       7.725  -5.092   4.480  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.356  -7.246   3.703  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       9.911  -6.933   3.022  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.204  -8.645   3.348  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       6.756  -9.421   3.894  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       8.398 -10.069   3.828  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.328  -2.266   2.096  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.337  -1.568   2.854  1.00  3.51           C
ATOM    682  C   LEU A  43       3.106  -2.044   4.247  1.00  5.56           C
ATOM    683  O   LEU A  43       2.578  -3.143   4.402  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.960  -1.530   2.169  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.945  -0.716   0.865  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.605  -1.073   0.199  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.977   0.796   1.143  1.00  9.55           C
ATOM      0  H   LEU A  43       4.017  -3.156   1.708  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.789  -0.577   2.905  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.642  -2.550   1.955  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.231  -1.107   2.860  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.814  -0.945   0.249  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.512  -0.533  -0.743  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.568  -2.145   0.008  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.216  -0.794   0.860  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       1.965   1.340   0.198  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.105   1.076   1.734  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.884   1.045   1.694  1.00  9.55           H   new
ATOM    699  N   ILE A  44       3.503  -1.204   5.220  1.00  4.58           N
ATOM    700  CA  ILE A  44       3.237  -1.381   6.614  1.00  5.55           C
ATOM    701  C   ILE A  44       2.029  -0.623   7.045  1.00  5.46           C
ATOM    702  O   ILE A  44       1.902   0.581   6.830  1.00  6.04           O
ATOM    703  CB  ILE A  44       4.354  -0.883   7.482  1.00  6.80           C
ATOM    704  CG1 ILE A  44       5.772  -1.220   6.990  1.00 10.31           C
ATOM    705  CG2 ILE A  44       4.061  -1.426   8.891  1.00  7.39           C
ATOM    706  CD1 ILE A  44       6.040  -2.721   6.889  1.00 13.90           C
ATOM      0  H   ILE A  44       4.037  -0.358   5.023  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       3.103  -2.456   6.733  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       4.370   0.207   7.461  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.927  -0.764   6.012  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       6.499  -0.774   7.668  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       4.842  -1.098   9.577  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       3.097  -1.050   9.232  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       4.037  -2.515   8.863  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       7.058  -2.886   6.536  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.917  -3.179   7.870  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       5.336  -3.170   6.188  1.00 13.90           H   new
ATOM    718  N   PHE A  45       1.106  -1.262   7.787  1.00  6.75           N
ATOM    719  CA  PHE A  45       0.030  -0.568   8.425  1.00  4.70           C
ATOM    720  C   PHE A  45       0.294  -0.660   9.888  1.00  6.34           C
ATOM    721  O   PHE A  45       0.483  -1.698  10.522  1.00  5.45           O
ATOM    722  CB  PHE A  45      -1.343  -1.213   8.171  1.00  5.51           C
ATOM    723  CG  PHE A  45      -2.593  -0.690   8.791  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -2.756   0.675   8.801  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -3.486  -1.470   9.487  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -3.878   1.254   9.346  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -4.613  -0.915  10.047  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -4.819   0.440   9.930  1.00  6.84           C
ATOM      0  H   PHE A  45       1.106  -2.270   7.946  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.009   0.449   8.034  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -1.500  -1.202   7.092  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -1.258  -2.258   8.470  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -1.989   1.304   8.373  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -3.301  -2.529   9.595  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -4.017   2.325   9.316  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -5.326  -1.534  10.571  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -5.736   0.872  10.303  1.00  6.84           H   new
ATOM    738  N   ALA A  46       0.374   0.531  10.507  1.00  6.53           N
ATOM    739  CA  ALA A  46       0.824   0.616  11.861  1.00  7.15           C
ATOM    740  C   ALA A  46       2.197   0.099  12.118  1.00  9.00           C
ATOM    741  O   ALA A  46       3.125   0.860  11.846  1.00 11.15           O
ATOM    742  CB  ALA A  46      -0.272   0.296  12.892  1.00  8.99           C
ATOM      0  H   ALA A  46       0.131   1.424  10.077  1.00  6.53           H   new
ATOM      0  HA  ALA A  46       1.006   1.676  12.041  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46       0.139   0.380  13.898  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -1.096   1.000  12.777  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -0.637  -0.719  12.732  1.00  8.99           H   new
ATOM    748  N   GLY A  47       2.333  -1.138  12.627  1.00  9.35           N
ATOM    749  CA  GLY A  47       3.565  -1.797  12.930  1.00 11.68           C
ATOM    750  C   GLY A  47       3.461  -3.168  12.358  1.00 11.14           C
ATOM    751  O   GLY A  47       4.259  -4.003  12.781  1.00 13.93           O
ATOM      0  H   GLY A  47       1.522  -1.719  12.842  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       4.409  -1.259  12.498  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       3.729  -1.837  14.007  1.00 11.68           H   new
ATOM    755  N   LYS A  48       2.545  -3.446  11.414  1.00 10.47           N
ATOM    756  CA  LYS A  48       2.235  -4.727  10.860  1.00  8.82           C
ATOM    757  C   LYS A  48       2.377  -4.697   9.377  1.00  7.68           C
ATOM    758  O   LYS A  48       1.827  -3.844   8.682  1.00  6.47           O
ATOM    759  CB  LYS A  48       0.857  -5.277  11.262  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.351  -4.871  10.415  1.00 14.14           C
ATOM    761  CD  LYS A  48      -1.622  -5.366  11.109  1.00 16.32           C
ATOM    762  CE  LYS A  48      -2.143  -4.430  12.201  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.316  -5.021  12.882  1.00 23.92           N
ATOM      0  H   LYS A  48       1.972  -2.709  11.004  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       2.959  -5.419  11.289  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48       0.917  -6.365  11.258  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48       0.662  -4.972  12.290  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -0.382  -3.788  10.295  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -0.274  -5.300   9.416  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -2.402  -5.503  10.360  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -1.426  -6.345  11.547  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -1.354  -4.237  12.928  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -2.416  -3.470  11.764  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -3.654  -4.370  13.619  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.074  -5.183  12.189  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.045  -5.926  13.317  1.00 23.92           H   new
ATOM    777  N   GLN A  49       3.106  -5.685   8.827  1.00  8.89           N
ATOM    778  CA  GLN A  49       3.498  -5.664   7.452  1.00  7.18           C
ATOM    779  C   GLN A  49       2.414  -6.380   6.722  1.00  8.23           C
ATOM    780  O   GLN A  49       2.055  -7.501   7.078  1.00  9.70           O
ATOM    781  CB  GLN A  49       4.906  -6.275   7.347  1.00 11.67           C
ATOM    782  CG  GLN A  49       5.163  -7.653   7.959  1.00 15.82           C
ATOM    783  CD  GLN A  49       6.637  -8.016   7.853  1.00 20.21           C
ATOM    784  OE1 GLN A  49       7.448  -7.740   8.736  1.00 23.23           O
ATOM    785  NE2 GLN A  49       6.930  -8.655   6.689  1.00 20.67           N
ATOM      0  H   GLN A  49       3.426  -6.506   9.341  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       3.594  -4.675   7.005  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       5.162  -6.332   6.289  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       5.604  -5.575   7.807  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.856  -7.656   9.005  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.560  -8.403   7.447  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       6.192  -8.844   6.011  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.888  -8.946   6.494  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.840  -5.722   5.698  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.778  -6.251   4.900  1.00  7.41           C
ATOM    796  C   LEU A  50       1.281  -7.079   3.767  1.00  8.27           C
ATOM    797  O   LEU A  50       2.344  -6.815   3.208  1.00  8.34           O
ATOM    798  CB  LEU A  50       0.031  -5.031   4.333  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.680  -4.023   5.251  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.285  -2.951   4.329  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.793  -4.549   6.172  1.00  8.14           C
ATOM      0  H   LEU A  50       2.127  -4.785   5.415  1.00  6.51           H   new
ATOM      0  HA  LEU A  50       0.145  -6.898   5.507  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.751  -4.466   3.741  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -0.720  -5.413   3.642  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       0.083  -3.673   5.947  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -1.805  -2.205   4.930  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.490  -2.469   3.761  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -1.990  -3.418   3.641  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.200  -3.725   6.758  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.586  -4.991   5.569  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.383  -5.304   6.843  1.00  8.14           H   new
ATOM    813  N   GLU A  51       0.565  -8.121   3.310  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.959  -9.118   2.364  1.00 11.90           C
ATOM    815  C   GLU A  51       0.100  -9.278   1.157  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.126  -9.227   1.237  1.00  9.88           O
ATOM    817  CB  GLU A  51       1.062 -10.485   3.061  1.00 16.56           C
ATOM    818  CG  GLU A  51       1.625 -11.663   2.262  1.00 26.06           C
ATOM    819  CD  GLU A  51       1.401 -12.958   3.030  1.00 29.86           C
ATOM    820  OE1 GLU A  51       0.221 -13.392   3.118  1.00 33.44           O
ATOM    821  OE2 GLU A  51       2.385 -13.695   3.305  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.388  -8.279   3.639  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.917  -8.753   1.992  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       1.680 -10.360   3.950  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       0.064 -10.761   3.403  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.140 -11.719   1.287  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       2.690 -11.516   2.081  1.00 26.06           H   new
ATOM    828  N   ASP A  52       0.691  -9.667   0.013  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.203  -9.942  -1.303  1.00 16.56           C
ATOM    830  C   ASP A  52      -1.238 -10.231  -1.552  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.914  -9.417  -2.179  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.031 -11.126  -1.827  1.00 21.05           C
ATOM    833  CG  ASP A  52       2.517 -10.813  -1.727  1.00 25.12           C
ATOM    834  OD1 ASP A  52       2.952  -9.748  -2.241  1.00 28.37           O
ATOM    835  OD2 ASP A  52       3.309 -11.564  -1.096  1.00 25.82           O
ATOM      0  H   ASP A  52       1.700  -9.813   0.025  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.311  -8.985  -1.814  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       0.801 -12.023  -1.252  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       0.765 -11.335  -2.863  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -1.731 -11.440  -1.231  1.00 15.00           N
ATOM    841  CA  GLY A  53      -3.015 -11.934  -1.622  1.00 11.77           C
ATOM    842  C   GLY A  53      -4.147 -11.733  -0.673  1.00 11.10           C
ATOM    843  O   GLY A  53      -5.174 -12.407  -0.738  1.00 11.25           O
ATOM      0  H   GLY A  53      -1.205 -12.109  -0.668  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -3.282 -11.465  -2.569  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -2.921 -13.003  -1.812  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.017 -10.839   0.323  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.096 -10.365   1.133  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.565  -9.038   0.645  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.992  -8.429  -0.257  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.624 -10.264   2.594  1.00  7.97           C
ATOM    852  CG  ARG A  54      -5.146 -11.368   3.515  1.00  9.62           C
ATOM    853  CD  ARG A  54      -4.650 -11.164   4.948  1.00 12.20           C
ATOM    854  NE  ARG A  54      -5.215 -12.240   5.809  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -5.117 -12.156   7.168  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -4.008 -11.681   7.808  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -6.073 -12.701   7.975  1.00 25.50           N
ATOM      0  H   ARG A  54      -3.118 -10.428   0.575  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.930 -11.064   1.071  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.534 -10.281   2.611  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -4.934  -9.299   2.995  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -6.236 -11.374   3.501  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -4.817 -12.340   3.147  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.561 -11.190   4.978  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.956 -10.185   5.318  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -5.677 -13.043   5.382  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -3.202 -11.368   7.267  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -3.986 -11.639   8.827  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -6.875 -13.179   7.564  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -5.986 -12.630   8.989  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.795  -8.663   1.042  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.443  -7.444   0.670  1.00  9.03           C
ATOM    873  C   THR A  55      -7.335  -6.573   1.874  1.00  8.15           C
ATOM    874  O   THR A  55      -7.118  -6.997   3.008  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.869  -7.650   0.252  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.687  -8.303   1.212  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.836  -8.612  -0.947  1.00 11.71           C
ATOM      0  H   THR A  55      -7.367  -9.243   1.656  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.972  -6.995  -0.205  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.283  -6.658   0.069  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -9.359  -9.215   1.355  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.853  -8.797  -1.293  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -8.253  -8.168  -1.754  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.378  -9.554  -0.645  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.671  -5.295   1.620  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.903  -4.294   2.614  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.939  -4.616   3.636  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.838  -4.351   4.832  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.179  -2.988   1.849  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.006  -2.392   1.054  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.481  -1.534  -0.131  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.941  -1.701   1.922  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.787  -4.942   0.670  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.018  -4.210   3.244  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.003  -3.166   1.158  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.520  -2.240   2.565  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.483  -3.246   0.625  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.616  -1.135  -0.661  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.072  -2.148  -0.811  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.092  -0.710   0.238  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.150  -1.309   1.283  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.399  -0.882   2.477  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.518  -2.422   2.622  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.021  -5.303   3.228  1.00  8.92           N
ATOM    905  CA  SER A  57     -10.965  -5.909   4.114  1.00  9.00           C
ATOM    906  C   SER A  57     -10.456  -6.973   5.024  1.00  9.44           C
ATOM    907  O   SER A  57     -10.746  -6.925   6.218  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.205  -6.450   3.381  1.00 10.32           C
ATOM    909  OG  SER A  57     -13.274  -6.786   4.254  1.00 13.59           O
ATOM      0  H   SER A  57     -10.247  -5.441   2.243  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.223  -5.064   4.753  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.550  -5.703   2.666  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -11.923  -7.333   2.808  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -14.031  -7.121   3.730  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.620  -7.917   4.556  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.153  -8.991   5.377  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.295  -8.607   6.533  1.00  9.12           C
ATOM    918  O   ASP A  58      -8.228  -9.283   7.559  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.347  -9.950   4.484  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.208 -10.549   3.382  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.347 -11.013   3.659  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -8.729 -10.528   2.217  1.00 10.05           O
ATOM      0  H   ASP A  58      -9.265  -7.936   3.600  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.047  -9.436   5.815  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -7.508  -9.415   4.040  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.928 -10.750   5.094  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -7.563  -7.480   6.498  1.00  7.97           N
ATOM    928  CA  TYR A  59      -6.855  -6.913   7.604  1.00  8.45           C
ATOM    929  C   TYR A  59      -7.756  -6.073   8.442  1.00 10.98           C
ATOM    930  O   TYR A  59      -7.512  -5.954   9.642  1.00 12.95           O
ATOM    931  CB  TYR A  59      -5.625  -6.083   7.199  1.00  7.94           C
ATOM    932  CG  TYR A  59      -4.593  -7.005   6.647  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -3.928  -7.925   7.423  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.142  -6.778   5.368  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -2.929  -8.731   6.929  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.243  -7.649   4.800  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -2.569  -8.523   5.619  1.00  6.76           C
ATOM    938  OH  TYR A  59      -1.615  -9.351   4.989  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.459  -6.931   5.645  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -6.493  -7.767   8.176  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -5.901  -5.335   6.456  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.230  -5.545   8.061  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.202  -8.019   8.464  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -4.492  -5.920   4.813  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -2.453  -9.486   7.537  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.070  -7.647   3.734  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.893  -9.526   4.066  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -8.755  -5.422   7.820  1.00 12.38           N
ATOM    949  CA  ASN A  60      -9.673  -4.495   8.405  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.293  -3.064   8.237  1.00 14.16           C
ATOM    951  O   ASN A  60      -9.212  -2.349   9.234  1.00 14.26           O
ATOM    952  CB  ASN A  60     -10.129  -4.767   9.849  1.00 19.23           C
ATOM    953  CG  ASN A  60     -10.898  -6.077   9.945  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -10.369  -7.131  10.296  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.250  -6.073   9.802  1.00 24.09           N
ATOM      0  H   ASN A  60      -8.934  -5.557   6.825  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -10.554  -4.693   7.794  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60      -9.261  -4.803  10.507  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -10.758  -3.947  10.195  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -12.785  -6.922   9.984  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -12.730  -5.221   9.513  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.016  -2.672   6.980  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.683  -1.315   6.677  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.789  -0.549   6.038  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.251  -0.943   4.968  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.433  -1.345   5.849  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.239  -2.028   6.538  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.187   0.066   5.290  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.073  -2.455   5.647  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.023  -3.296   6.173  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.512  -0.767   7.604  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.571  -2.008   4.995  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -5.853  -1.349   7.298  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.609  -2.912   7.058  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.281   0.064   4.684  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.035   0.366   4.674  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.071   0.769   6.115  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.300  -2.922   6.258  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.427  -3.167   4.902  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -4.659  -1.580   5.145  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.172   0.609   6.606  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.255   1.425   6.150  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.876   2.725   5.530  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.686   3.038   5.550  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.178   1.612   7.366  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.720   0.301   7.938  1.00 26.38           C
ATOM    987  CD  GLN A  62     -13.874   0.582   8.890  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.875   1.252   8.643  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -13.860  -0.095  10.070  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.702   0.995   7.425  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -11.747   0.917   5.321  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -11.631   2.140   8.147  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.017   2.247   7.079  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -13.056  -0.346   7.128  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.927  -0.231   8.463  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -13.052  -0.665  10.321  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -14.657  -0.032  10.703  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.751   3.597   4.998  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.322   4.777   4.314  1.00 11.97           C
ATOM   1000  C   LYS A  63     -10.513   5.788   5.052  1.00 10.41           C
ATOM   1001  O   LYS A  63     -10.725   6.009   6.243  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.497   5.608   3.770  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.514   6.270   4.702  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.590   7.148   4.060  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.401   7.883   5.128  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -14.561   8.899   5.802  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.764   3.483   5.042  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.691   4.301   3.563  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.066   6.401   3.158  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.059   4.958   3.100  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.014   5.484   5.268  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -12.966   6.880   5.420  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.124   7.870   3.390  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.254   6.532   3.453  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.267   8.362   4.671  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.780   7.171   5.861  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -15.171   9.594   6.278  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -13.952   8.435   6.505  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -13.969   9.383   5.097  1.00 25.97           H   new
ATOM   1020  N   GLU A  64      -9.583   6.433   4.326  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -8.651   7.466   4.660  1.00 10.94           C
ATOM   1022  C   GLU A  64      -7.608   6.975   5.604  1.00  9.74           C
ATOM   1023  O   GLU A  64      -7.130   7.660   6.507  1.00  9.42           O
ATOM   1024  CB  GLU A  64      -9.408   8.727   5.108  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -10.572   9.148   4.209  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -11.571  10.066   4.899  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -11.306  10.428   6.077  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -12.671  10.333   4.347  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.473   6.183   3.343  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.084   7.761   3.777  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64      -9.790   8.562   6.115  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -8.700   9.553   5.167  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -10.176   9.652   3.328  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -11.092   8.256   3.859  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -7.221   5.690   5.523  1.00  6.85           N
ATOM   1036  CA  SER A  65      -6.306   5.102   6.452  1.00  6.90           C
ATOM   1037  C   SER A  65      -4.906   5.279   5.975  1.00  4.72           C
ATOM   1038  O   SER A  65      -4.619   5.369   4.782  1.00  3.91           O
ATOM   1039  CB  SER A  65      -6.605   3.594   6.415  1.00  7.28           C
ATOM   1040  OG  SER A  65      -5.864   2.905   7.411  1.00 10.56           O
ATOM      0  H   SER A  65      -7.548   5.048   4.801  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -6.411   5.550   7.440  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.671   3.427   6.569  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.358   3.194   5.431  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -6.356   2.105   7.690  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -3.981   5.331   6.950  1.00  4.48           N
ATOM   1047  CA  THR A  66      -2.594   5.644   6.801  1.00  3.80           C
ATOM   1048  C   THR A  66      -1.752   4.431   6.599  1.00  4.60           C
ATOM   1049  O   THR A  66      -1.806   3.526   7.431  1.00  5.33           O
ATOM   1050  CB  THR A  66      -2.029   6.284   8.034  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -2.714   7.498   8.303  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -0.585   6.749   7.780  1.00  3.40           C
ATOM      0  H   THR A  66      -4.225   5.138   7.921  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -2.563   6.307   5.936  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -2.109   5.550   8.836  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -2.342   7.911   9.110  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -0.188   7.212   8.683  1.00  3.40           H   new
ATOM      0 HG22 THR A  66       0.031   5.891   7.510  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -0.574   7.474   6.966  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -1.014   4.317   5.481  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.074   3.254   5.301  1.00  3.85           C
ATOM   1062  C   LEU A  67       1.256   3.913   5.175  1.00  3.80           C
ATOM   1063  O   LEU A  67       1.459   5.091   4.884  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.401   2.472   4.017  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -1.745   1.727   3.958  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -1.921   1.011   2.608  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -1.954   0.781   5.153  1.00  8.12           C
ATOM      0  H   LEU A  67      -1.069   4.966   4.696  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.098   2.546   6.130  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -0.367   3.171   3.181  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67       0.394   1.744   3.856  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.531   2.478   4.037  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -2.880   0.492   2.593  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -1.892   1.743   1.801  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -1.116   0.289   2.471  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -2.919   0.283   5.058  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -1.160   0.035   5.169  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.932   1.355   6.079  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       2.330   3.139   5.412  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.717   3.477   5.321  1.00  4.17           C
ATOM   1081  C   HIS A  68       4.454   2.696   4.289  1.00  5.32           C
ATOM   1082  O   HIS A  68       4.549   1.475   4.403  1.00  7.70           O
ATOM   1083  CB  HIS A  68       4.409   3.360   6.689  1.00  5.57           C
ATOM   1084  CG  HIS A  68       3.729   4.027   7.849  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       3.519   5.388   7.935  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       3.019   3.468   8.865  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       2.677   5.574   8.987  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       2.281   4.433   9.520  1.00 16.30           N
ATOM      0  H   HIS A  68       2.209   2.168   5.699  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       3.748   4.517   4.997  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       4.522   2.302   6.924  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       5.413   3.775   6.599  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       3.031   2.419   9.123  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       2.368   6.545   9.345  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       1.585   4.295  10.253  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       5.019   3.323   3.242  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.843   2.703   2.250  1.00  3.97           C
ATOM   1098  C   LEU A  69       7.283   2.774   2.625  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.872   3.842   2.783  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.589   3.309   0.859  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.342   2.560  -0.253  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.522   2.569  -1.554  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       7.778   3.003  -0.579  1.00  6.87           C
ATOM      0  H   LEU A  69       4.893   4.322   3.078  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.571   1.649   2.201  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.520   3.290   0.647  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.895   4.355   0.860  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.456   1.564   0.174  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.068   2.035  -2.332  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       4.563   2.080  -1.383  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.353   3.598  -1.871  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       8.177   2.383  -1.382  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       7.774   4.046  -0.894  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       8.403   2.894   0.308  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.940   1.621   2.849  1.00  4.29           N
ATOM   1116  CA  VAL A  70       9.318   1.449   3.189  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.956   0.787   2.016  1.00  9.22           C
ATOM   1118  O   VAL A  70       9.462  -0.139   1.374  1.00  9.36           O
ATOM   1119  CB  VAL A  70       9.586   0.630   4.416  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.129   1.505   5.595  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.901  -0.746   4.456  1.00  8.54           C
ATOM      0  H   VAL A  70       7.457   0.725   2.785  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.722   2.434   3.423  1.00  6.26           H   new
ATOM      0  HB  VAL A  70      10.646   0.377   4.445  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       9.295   0.971   6.530  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.700   2.434   5.602  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       8.068   1.732   5.490  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       9.161  -1.255   5.384  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.820  -0.616   4.404  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       9.236  -1.344   3.608  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      11.128   1.325   1.634  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.768   0.814   0.462  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.857  -0.088   0.934  1.00 18.09           C
ATOM   1134  O   LEU A  71      13.515   0.096   1.956  1.00 19.26           O
ATOM   1135  CB  LEU A  71      12.423   1.922  -0.381  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.515   2.960  -1.063  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      12.354   4.092  -1.680  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.714   2.371  -2.236  1.00 17.51           C
ATOM      0  H   LEU A  71      11.616   2.082   2.113  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      11.022   0.317  -0.158  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      13.118   2.461   0.263  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      13.017   1.440  -1.158  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.845   3.311  -0.278  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      11.693   4.816  -2.157  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.929   4.587  -0.897  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.035   3.677  -2.423  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.092   3.149  -2.678  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.402   1.985  -2.988  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      10.080   1.561  -1.874  1.00 17.51           H   new