USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  22 THR OG1 :   rot  180:sc=  -0.144
USER  MOD Set 1.2: A  25 ASN     :      amide:sc=  -0.169  K(o=-0.31,f=-1.7)
USER  MOD Single : A   1 MET CE  :methyl -175:sc=  -0.387   (180deg=-0.461)
USER  MOD Single : A   1 MET N   :NH3+    171:sc=    1.26   (180deg=1.12)
USER  MOD Single : A   2 GLN     :      amide:sc=   -0.54  K(o=-0.54,f=-1.2)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   7 THR OG1 :   rot  -58:sc=   0.285
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=  0.0272
USER  MOD Single : A  11 LYS NZ  :NH3+    164:sc=    1.13   (180deg=0.56)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  -64:sc=   0.281
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  27 LYS NZ  :NH3+    167:sc=    1.37   (180deg=1)
USER  MOD Single : A  29 LYS NZ  :NH3+   -176:sc=       0   (180deg=-0.00797)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  X(o=0,f=-0.24)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=       0  K(o=0,f=-0.8)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.397  K(o=0.4,f=-2.7)
USER  MOD Single : A  48 LYS NZ  :NH3+   -179:sc=       0   (180deg=-0.00299)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  K(o=0,f=-0.83)
USER  MOD Single : A  55 THR OG1 :   rot  -70:sc=    1.67
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=   0.295
USER  MOD Single : A  60 ASN     :      amide:sc=-0.00809  K(o=-0.0081,f=-0.54)
USER  MOD Single : A  62 GLN     :      amide:sc= -0.0443  X(o=-0.044,f=-0.27)
USER  MOD Single : A  63 LYS NZ  :NH3+    168:sc=    1.04   (180deg=0.39)
USER  MOD Single : A  65 SER OG  :   rot   99:sc=   0.679
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=-0.036)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.136   5.147  -4.526  1.00  9.67           N
ATOM      2  CA  MET A   1     -11.921   5.614  -3.138  1.00 10.38           C
ATOM      3  C   MET A   1     -10.557   6.183  -2.953  1.00  9.62           C
ATOM      4  O   MET A   1      -9.604   5.889  -3.673  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.275   4.432  -2.220  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.327   3.232  -2.273  1.00 16.29           C
ATOM      7  SD  MET A   1     -11.921   1.785  -1.347  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.631   0.709  -2.034  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.032   4.622  -4.581  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.175   5.966  -5.166  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.352   4.524  -4.808  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.567   6.453  -2.879  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -12.313   4.795  -1.193  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.278   4.089  -2.474  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.174   2.948  -3.314  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -10.356   3.531  -1.878  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.796  -0.315  -1.700  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.668   0.746  -3.123  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.653   1.049  -1.693  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.412   7.077  -1.959  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.114   7.478  -1.513  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.667   6.716  -0.313  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.392   6.295   0.587  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.062   8.990  -1.233  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.108   9.665  -0.344  1.00 17.01           C
ATOM     26  CD  GLN A   2      -9.604  11.060   0.000  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -9.374  11.399   1.160  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -9.371  11.811  -1.109  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.188   7.520  -1.467  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.424   7.248  -2.325  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -8.087   9.199  -0.793  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.091   9.494  -2.199  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -11.066   9.723  -0.860  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -10.269   9.083   0.564  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -9.596  11.441  -2.032  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.971  12.745  -1.018  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.386   6.305  -0.318  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.761   5.646   0.787  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.625   6.520   1.193  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.175   7.363   0.419  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.305   4.229   0.599  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.342   3.951  -0.567  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.540   3.313   0.605  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.680   2.574  -0.566  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.765   6.436  -1.117  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.529   5.520   1.550  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.658   4.003   1.446  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -5.889   4.070  -1.502  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -4.560   4.710  -0.557  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.226   2.278   0.469  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.062   3.412   1.557  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.209   3.599  -0.207  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.023   2.486  -1.431  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.097   2.451   0.347  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.447   1.801  -0.613  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.110   6.317   2.418  1.00  4.55           N
ATOM     57  CA  PHE A   4      -4.064   7.060   3.051  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.929   6.144   3.357  1.00  5.30           C
ATOM     59  O   PHE A   4      -3.188   5.052   3.860  1.00  5.58           O
ATOM     60  CB  PHE A   4      -4.567   7.629   4.388  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.636   8.626   4.098  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.259   9.866   3.639  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -6.971   8.365   4.296  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -6.171  10.822   3.258  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -7.912   9.263   3.849  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -7.499  10.481   3.362  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.456   5.567   3.017  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.752   7.864   2.385  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.954   6.829   5.020  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.748   8.098   4.934  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.206  10.098   3.575  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -7.279   7.461   4.799  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -5.860  11.791   2.896  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -8.963   9.015   3.880  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -8.245  11.196   3.050  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.656   6.506   3.122  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.526   5.639   3.253  1.00  3.87           C
ATOM     78  C   VAL A   5       0.388   6.429   4.125  1.00  4.93           C
ATOM     79  O   VAL A   5       0.961   7.439   3.719  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.054   5.172   1.950  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.437   4.512   2.069  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.981   4.213   1.339  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.402   7.449   2.826  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.772   4.672   3.692  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.240   6.036   1.312  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.780   4.205   1.081  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.145   5.224   2.494  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.369   3.638   2.717  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.612   3.839   0.384  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.146   3.376   2.017  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.920   4.743   1.182  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.484   6.092   5.424  1.00  6.04           N
ATOM     93  CA  LYS A   6       1.266   6.795   6.393  1.00  6.12           C
ATOM     94  C   LYS A   6       2.657   6.263   6.357  1.00  6.57           C
ATOM     95  O   LYS A   6       2.785   5.071   6.632  1.00  5.76           O
ATOM     96  CB  LYS A   6       0.644   6.586   7.784  1.00  7.45           C
ATOM     97  CG  LYS A   6       1.396   7.247   8.940  1.00 11.12           C
ATOM     98  CD  LYS A   6       0.796   6.827  10.283  1.00 14.54           C
ATOM     99  CE  LYS A   6       1.256   7.730  11.429  1.00 18.84           C
ATOM    100  NZ  LYS A   6       2.606   7.308  11.867  1.00 20.55           N
ATOM      0  H   LYS A   6      -0.008   5.290   5.817  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       1.285   7.862   6.173  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6      -0.376   6.969   7.769  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       0.580   5.515   7.978  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       2.449   6.968   8.903  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       1.350   8.331   8.838  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -0.292   6.852  10.217  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       1.078   5.797  10.499  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       1.274   8.770  11.104  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       0.554   7.668  12.261  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       2.925   7.918  12.646  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       2.573   6.321  12.192  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       3.270   7.388  11.071  1.00 20.55           H   new
ATOM    114  N   THR A   7       3.660   7.097   6.031  1.00  7.41           N
ATOM    115  CA  THR A   7       5.009   6.662   5.844  1.00  7.48           C
ATOM    116  C   THR A   7       5.692   6.595   7.167  1.00  8.75           C
ATOM    117  O   THR A   7       5.043   6.698   8.207  1.00  8.58           O
ATOM    118  CB  THR A   7       5.740   7.469   4.812  1.00  9.61           C
ATOM    119  OG1 THR A   7       6.031   8.766   5.310  1.00 11.78           O
ATOM    120  CG2 THR A   7       4.818   7.694   3.602  1.00  9.17           C
ATOM      0  H   THR A   7       3.530   8.099   5.894  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.007   5.655   5.427  1.00  7.48           H   new
ATOM      0  HB  THR A   7       6.651   6.930   4.552  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       5.197   9.212   5.568  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       5.344   8.280   2.848  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       4.532   6.731   3.179  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       3.924   8.230   3.920  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.012   6.390   7.320  1.00  9.84           N
ATOM    129  CA  LEU A   8       7.682   6.147   8.560  1.00 14.15           C
ATOM    130  C   LEU A   8       8.130   7.444   9.141  1.00 17.37           C
ATOM    131  O   LEU A   8       8.279   7.433  10.362  1.00 17.01           O
ATOM    132  CB  LEU A   8       8.893   5.199   8.577  1.00 16.63           C
ATOM    133  CG  LEU A   8       8.513   3.782   8.113  1.00 18.88           C
ATOM    134  CD1 LEU A   8       9.672   2.771   8.122  1.00 18.59           C
ATOM    135  CD2 LEU A   8       7.466   3.128   9.031  1.00 19.31           C
ATOM      0  H   LEU A   8       7.652   6.394   6.526  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       6.918   5.624   9.135  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       9.675   5.596   7.930  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       9.305   5.154   9.585  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       8.154   3.963   7.100  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       9.311   1.801   7.780  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      10.463   3.118   7.457  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      10.064   2.676   9.135  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       7.231   2.130   8.662  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8       7.864   3.056  10.043  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       6.560   3.734   9.040  1.00 19.31           H   new
ATOM    147  N   THR A   9       8.350   8.488   8.323  1.00 18.33           N
ATOM    148  CA  THR A   9       8.905   9.681   8.884  1.00 19.24           C
ATOM    149  C   THR A   9       7.919  10.681   9.379  1.00 19.48           C
ATOM    150  O   THR A   9       7.870  10.936  10.582  1.00 23.14           O
ATOM    151  CB  THR A   9       9.885  10.397   8.001  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.348  10.614   6.704  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.083   9.439   7.888  1.00 19.70           C
ATOM      0  H   THR A   9       8.156   8.512   7.322  1.00 18.33           H   new
ATOM      0  HA  THR A   9       9.431   9.264   9.743  1.00 19.24           H   new
ATOM      0  HB  THR A   9      10.145  11.373   8.411  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      10.007  11.083   6.151  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      11.849   9.888   7.256  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      11.494   9.252   8.880  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      10.755   8.497   7.448  1.00 19.70           H   new
ATOM    161  N   GLY A  10       7.202  11.382   8.483  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.195  12.316   8.881  1.00 18.74           C
ATOM    163  C   GLY A  10       5.380  12.781   7.723  1.00 17.62           C
ATOM    164  O   GLY A  10       4.996  13.950   7.742  1.00 19.74           O
ATOM      0  H   GLY A  10       7.322  11.301   7.473  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       5.543  11.853   9.622  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       6.665  13.174   9.362  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.083  11.932   6.724  1.00 13.56           N
ATOM    169  CA  LYS A  11       4.238  12.277   5.623  1.00 11.91           C
ATOM    170  C   LYS A  11       3.138  11.272   5.634  1.00 10.18           C
ATOM    171  O   LYS A  11       3.373  10.146   6.067  1.00  9.10           O
ATOM    172  CB  LYS A  11       5.063  12.257   4.325  1.00 13.43           C
ATOM    173  CG  LYS A  11       4.377  12.934   3.136  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.313  12.996   1.928  1.00 17.92           C
ATOM    175  CE  LYS A  11       4.712  13.734   0.730  1.00 20.81           C
ATOM    176  NZ  LYS A  11       5.826  13.763  -0.245  1.00 21.93           N
ATOM      0  H   LYS A  11       5.441  10.978   6.680  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       3.818  13.280   5.695  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.018  12.749   4.507  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.282  11.222   4.063  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       3.473  12.386   2.872  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       4.069  13.942   3.414  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       6.240  13.489   2.221  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       5.573  11.981   1.627  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       3.842  13.212   0.331  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       4.386  14.739   0.999  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       5.456  13.997  -1.188  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       6.520  14.482   0.043  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       6.285  12.830  -0.275  1.00 21.93           H   new
ATOM    190  N   THR A  12       1.936  11.626   5.143  1.00  9.63           N
ATOM    191  CA  THR A  12       0.853  10.729   4.883  1.00  9.85           C
ATOM    192  C   THR A  12       0.481  10.961   3.458  1.00 11.66           C
ATOM    193  O   THR A  12       0.212  12.094   3.064  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.413  10.947   5.657  1.00 10.85           C
ATOM    195  OG1 THR A  12      -0.138  10.768   7.039  1.00 10.91           O
ATOM    196  CG2 THR A  12      -1.569  10.031   5.223  1.00  9.63           C
ATOM      0  H   THR A  12       1.708  12.594   4.915  1.00  9.63           H   new
ATOM      0  HA  THR A  12       1.212   9.737   5.158  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.748  11.964   5.452  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.958  10.910   7.557  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.450  10.246   5.827  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -1.798  10.207   4.172  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.280   8.989   5.362  1.00  9.63           H   new
ATOM    204  N   ILE A  13       0.508   9.959   2.561  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.185  10.156   1.182  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.174   9.660   0.824  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.620   8.599   1.259  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.223   9.756   0.176  1.00 14.86           C
ATOM    209  CG1 ILE A  13       1.601   8.265   0.186  1.00 14.87           C
ATOM    210  CG2 ILE A  13       2.426  10.684   0.408  1.00 17.08           C
ATOM    211  CD1 ILE A  13       2.532   7.904  -0.971  1.00 16.46           C
ATOM      0  H   ILE A  13       0.758   8.998   2.796  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.176  11.243   1.103  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       0.815   9.876  -0.828  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       2.085   8.020   1.131  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       0.696   7.661   0.125  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       3.217  10.438  -0.300  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       2.119  11.720   0.264  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       2.796  10.553   1.425  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       2.774   6.842  -0.926  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       2.038   8.124  -1.918  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.449   8.488  -0.896  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.879  10.402  -0.048  1.00  9.39           N
ATOM    224  CA  THR A  14      -3.244  10.166  -0.403  1.00  9.63           C
ATOM    225  C   THR A  14      -3.188   9.547  -1.757  1.00 11.20           C
ATOM    226  O   THR A  14      -2.635  10.196  -2.642  1.00 11.63           O
ATOM    227  CB  THR A  14      -3.997  11.458  -0.279  1.00 10.38           C
ATOM    228  OG1 THR A  14      -4.013  12.121   0.977  1.00 16.30           O
ATOM    229  CG2 THR A  14      -5.476  11.199  -0.612  1.00 11.66           C
ATOM      0  H   THR A  14      -1.477  11.206  -0.529  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -3.793   9.482   0.244  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -3.450  12.111  -0.959  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -4.477  11.563   1.636  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -6.037  12.130  -0.526  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -5.558  10.818  -1.630  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -5.882  10.465   0.084  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.621   8.287  -1.945  1.00  8.29           N
ATOM    238  CA  LEU A  15      -3.704   7.630  -3.212  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.114   7.284  -3.550  1.00  8.59           C
ATOM    240  O   LEU A  15      -5.823   6.749  -2.699  1.00  7.79           O
ATOM    241  CB  LEU A  15      -2.913   6.312  -3.159  1.00 11.08           C
ATOM    242  CG  LEU A  15      -1.376   6.346  -3.216  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -0.791   7.602  -3.883  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -0.753   6.207  -1.816  1.00 15.88           C
ATOM      0  H   LEU A  15      -3.929   7.697  -1.172  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.300   8.310  -3.962  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.194   5.800  -2.239  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -3.257   5.692  -3.987  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.116   5.490  -3.839  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15       0.297   7.542  -3.880  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.148   7.668  -4.911  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.107   8.488  -3.332  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15       0.334   6.235  -1.897  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.091   7.028  -1.184  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -1.059   5.259  -1.374  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -5.608   7.557  -4.770  1.00 11.04           N
ATOM    257  CA  GLU A  16      -6.959   7.331  -5.182  1.00 11.50           C
ATOM    258  C   GLU A  16      -6.987   6.162  -6.106  1.00 10.13           C
ATOM    259  O   GLU A  16      -6.330   6.054  -7.140  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.476   8.616  -5.851  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.967   8.560  -6.187  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.414   9.826  -6.904  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -8.986  10.915  -6.437  1.00 28.90           O
ATOM    264  OE2 GLU A  16     -10.043   9.771  -7.995  1.00 28.86           O
ATOM      0  H   GLU A  16      -5.032   7.958  -5.511  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -7.608   7.101  -4.337  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.290   9.463  -5.190  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -6.910   8.795  -6.765  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.169   7.692  -6.815  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -9.545   8.433  -5.272  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -7.720   5.129  -5.653  1.00  8.99           N
ATOM    272  CA  VAL A  17      -7.629   3.724  -5.899  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.018   3.203  -6.041  1.00  8.04           C
ATOM    274  O   VAL A  17      -9.956   3.716  -5.434  1.00  8.99           O
ATOM    275  CB  VAL A  17      -6.804   2.942  -4.921  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.366   3.474  -4.806  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.506   3.068  -3.558  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.494   5.317  -5.016  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.065   3.582  -6.821  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -6.726   1.908  -5.257  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -4.812   2.873  -4.085  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -4.878   3.416  -5.779  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.387   4.511  -4.472  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.944   2.514  -2.806  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.558   4.118  -3.271  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.515   2.661  -3.629  1.00 10.54           H   new
ATOM    287  N   GLU A  18      -9.185   2.202  -6.924  1.00  7.29           N
ATOM    288  CA  GLU A  18     -10.350   1.379  -7.030  1.00  7.08           C
ATOM    289  C   GLU A  18     -10.130   0.164  -6.196  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.007  -0.224  -5.879  1.00  5.28           O
ATOM    291  CB  GLU A  18     -10.624   0.767  -8.415  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.256   1.852  -9.289  1.00 12.65           C
ATOM    293  CD  GLU A  18     -11.414   1.585 -10.779  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -10.445   1.077 -11.404  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -12.539   1.721 -11.330  1.00 18.17           O
ATOM      0  H   GLU A  18      -8.465   1.953  -7.603  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.168   2.044  -6.752  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18      -9.698   0.407  -8.863  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -11.291  -0.091  -8.328  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -12.245   2.069  -8.885  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -10.660   2.757  -9.176  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.124  -0.424  -5.600  1.00  7.24           N
ATOM    303  CA  PRO A  19     -10.976  -1.558  -4.735  1.00  7.07           C
ATOM    304  C   PRO A  19     -10.612  -2.825  -5.431  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.045  -3.729  -4.820  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.332  -1.680  -4.043  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.344  -0.815  -4.811  1.00  8.16           C
ATOM    308  CD  PRO A  19     -12.381   0.261  -5.337  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.144  -1.403  -4.048  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -12.657  -2.720  -4.026  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.260  -1.351  -3.006  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -13.844  -1.361  -5.611  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.123  -0.406  -4.168  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -12.770   0.725  -6.243  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -12.246   1.057  -4.604  1.00  7.49           H   new
ATOM    316  N   SER A  20     -10.974  -2.954  -6.720  1.00  6.80           N
ATOM    317  CA  SER A  20     -10.340  -3.919  -7.564  1.00  6.28           C
ATOM    318  C   SER A  20      -8.923  -3.670  -7.951  1.00  8.45           C
ATOM    319  O   SER A  20      -8.377  -4.433  -8.747  1.00  7.26           O
ATOM    320  CB  SER A  20     -11.165  -4.114  -8.847  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.519  -4.511  -8.692  1.00 11.13           O
ATOM      0  H   SER A  20     -11.698  -2.397  -7.174  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -10.304  -4.809  -6.936  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -11.149  -3.178  -9.405  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -10.662  -4.860  -9.462  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -12.937  -4.600  -9.574  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -8.229  -2.594  -7.540  1.00  7.50           N
ATOM    328  CA  ASP A  21      -6.803  -2.544  -7.634  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.018  -3.414  -6.714  1.00  7.08           C
ATOM    330  O   ASP A  21      -6.364  -3.585  -5.546  1.00  8.11           O
ATOM    331  CB  ASP A  21      -6.377  -1.068  -7.557  1.00 11.00           C
ATOM    332  CG  ASP A  21      -6.881  -0.139  -8.652  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -7.394  -0.605  -9.704  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -6.808   1.095  -8.408  1.00 18.03           O
ATOM      0  H   ASP A  21      -8.656  -1.757  -7.142  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -6.549  -2.991  -8.595  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -6.709  -0.671  -6.598  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -5.288  -1.031  -7.558  1.00 11.00           H   new
ATOM    339  N   THR A  22      -4.911  -3.965  -7.243  1.00  5.37           N
ATOM    340  CA  THR A  22      -3.947  -4.814  -6.613  1.00  6.01           C
ATOM    341  C   THR A  22      -3.094  -4.011  -5.692  1.00  8.01           C
ATOM    342  O   THR A  22      -2.912  -2.826  -5.968  1.00  8.11           O
ATOM    343  CB  THR A  22      -3.020  -5.676  -7.417  1.00  8.92           C
ATOM    344  OG1 THR A  22      -2.443  -5.055  -8.556  1.00 10.22           O
ATOM    345  CG2 THR A  22      -3.983  -6.762  -7.926  1.00  9.65           C
ATOM      0  H   THR A  22      -4.667  -3.795  -8.219  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -4.617  -5.537  -6.148  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -2.169  -5.987  -6.811  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -1.855  -5.692  -9.013  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -3.434  -7.476  -8.540  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -4.428  -7.281  -7.077  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -4.770  -6.300  -8.522  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.435  -4.631  -4.698  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.489  -3.973  -3.851  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.268  -3.560  -4.598  1.00 10.01           C
ATOM    356  O   ILE A  23       0.210  -2.445  -4.393  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.354  -4.851  -2.642  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.630  -5.009  -1.798  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.156  -4.381  -1.800  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.370  -3.748  -1.353  1.00 12.30           C
ATOM      0  H   ILE A  23      -2.563  -5.618  -4.477  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -1.805  -2.996  -3.485  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.174  -5.860  -3.014  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.330  -5.621  -2.367  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.368  -5.573  -0.903  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.057  -5.018  -0.921  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.754  -4.441  -2.397  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.315  -3.350  -1.485  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.246  -4.028  -0.768  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.708  -3.133  -0.743  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.685  -3.182  -2.230  1.00 12.30           H   new
ATOM    372  N   GLU A  24       0.225  -4.296  -5.609  1.00  9.54           N
ATOM    373  CA  GLU A  24       1.155  -3.871  -6.608  1.00 11.81           C
ATOM    374  C   GLU A  24       0.838  -2.569  -7.261  1.00 11.14           C
ATOM    375  O   GLU A  24       1.659  -1.679  -7.475  1.00 10.62           O
ATOM    376  CB  GLU A  24       1.241  -4.933  -7.717  1.00 19.24           C
ATOM    377  CG  GLU A  24       2.348  -4.822  -8.767  1.00 27.76           C
ATOM    378  CD  GLU A  24       2.211  -5.823  -9.906  1.00 32.92           C
ATOM    379  OE1 GLU A  24       2.630  -7.008  -9.816  1.00 36.51           O
ATOM    380  OE2 GLU A  24       1.549  -5.349 -10.867  1.00 34.80           O
ATOM      0  H   GLU A  24      -0.051  -5.270  -5.737  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       2.095  -3.738  -6.072  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       1.342  -5.905  -7.234  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24       0.287  -4.936  -8.244  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       2.346  -3.813  -9.179  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       3.313  -4.966  -8.282  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -0.434  -2.311  -7.614  1.00  9.43           N
ATOM    388  CA  ASN A  25      -0.851  -1.114  -8.276  1.00 10.96           C
ATOM    389  C   ASN A  25      -0.820   0.074  -7.377  1.00  9.68           C
ATOM    390  O   ASN A  25      -0.503   1.174  -7.829  1.00  9.33           O
ATOM    391  CB  ASN A  25      -2.241  -1.154  -8.933  1.00 16.78           C
ATOM    392  CG  ASN A  25      -2.438  -2.359  -9.842  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -3.583  -2.807  -9.848  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -1.420  -2.784 -10.637  1.00 24.70           N
ATOM      0  H   ASN A  25      -1.200  -2.960  -7.432  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -0.113  -1.032  -9.074  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.004  -1.165  -8.155  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -2.389  -0.242  -9.511  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -1.577  -3.535 -11.309  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -0.499  -2.351 -10.562  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -0.973  -0.040  -6.046  1.00  6.52           N
ATOM    402  CA  VAL A  26      -0.829   0.932  -5.007  1.00  5.53           C
ATOM    403  C   VAL A  26       0.598   1.334  -4.858  1.00  4.42           C
ATOM    404  O   VAL A  26       0.953   2.511  -4.820  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.391   0.455  -3.701  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.034   1.446  -2.580  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -2.924   0.342  -3.738  1.00  8.12           C
ATOM      0  H   VAL A  26      -1.234  -0.942  -5.649  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -1.409   1.807  -5.301  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -0.959  -0.529  -3.517  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -1.446   1.091  -1.636  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26       0.050   1.525  -2.496  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -1.452   2.425  -2.813  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.287  -0.007  -2.771  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.356   1.319  -3.957  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.218  -0.366  -4.513  1.00  8.12           H   new
ATOM    417  N   LYS A  27       1.486   0.327  -4.777  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.902   0.522  -4.772  1.00  4.14           C
ATOM    419  C   LYS A  27       3.473   1.290  -5.914  1.00  5.58           C
ATOM    420  O   LYS A  27       4.350   2.144  -5.796  1.00  4.11           O
ATOM    421  CB  LYS A  27       3.630  -0.833  -4.755  1.00  3.97           C
ATOM    422  CG  LYS A  27       3.477  -1.504  -3.388  1.00  7.45           C
ATOM    423  CD  LYS A  27       4.637  -2.470  -3.139  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.483  -3.477  -1.997  1.00 12.90           C
ATOM    425  NZ  LYS A  27       5.530  -4.516  -2.123  1.00 15.47           N
ATOM      0  H   LYS A  27       1.210  -0.653  -4.713  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       3.061   1.117  -3.873  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       3.225  -1.481  -5.532  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       4.687  -0.688  -4.980  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.451  -0.747  -2.604  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       2.530  -2.042  -3.343  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.814  -3.028  -4.058  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       5.533  -1.879  -2.948  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.569  -2.971  -1.035  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.494  -3.934  -2.029  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.575  -5.072  -1.245  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.301  -5.145  -2.919  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       6.450  -4.063  -2.294  1.00 15.47           H   new
ATOM    439  N   ALA A  28       2.922   1.050  -7.117  1.00  6.61           N
ATOM    440  CA  ALA A  28       3.240   1.788  -8.300  1.00  7.74           C
ATOM    441  C   ALA A  28       3.123   3.267  -8.169  1.00  9.17           C
ATOM    442  O   ALA A  28       3.993   3.978  -8.671  1.00 11.45           O
ATOM    443  CB  ALA A  28       2.432   1.292  -9.511  1.00  7.68           C
ATOM      0  H   ALA A  28       2.231   0.316  -7.272  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       4.299   1.590  -8.464  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       2.700   1.876 -10.391  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       2.655   0.240  -9.691  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       1.367   1.407  -9.310  1.00  7.68           H   new
ATOM    449  N   LYS A  29       2.139   3.755  -7.394  1.00  8.96           N
ATOM    450  CA  LYS A  29       1.970   5.153  -7.141  1.00  7.90           C
ATOM    451  C   LYS A  29       2.895   5.786  -6.159  1.00  6.92           C
ATOM    452  O   LYS A  29       3.178   6.969  -6.339  1.00  6.87           O
ATOM    453  CB  LYS A  29       0.516   5.485  -6.768  1.00 10.28           C
ATOM    454  CG  LYS A  29      -0.534   4.997  -7.768  1.00 14.94           C
ATOM    455  CD  LYS A  29      -1.984   5.449  -7.583  1.00 19.69           C
ATOM    456  CE  LYS A  29      -2.980   4.430  -8.140  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -2.849   4.332  -9.611  1.00 24.98           N
ATOM      0  H   LYS A  29       1.445   3.166  -6.933  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       2.243   5.597  -8.098  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29       0.298   5.049  -5.793  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29       0.421   6.566  -6.662  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -0.214   5.308  -8.763  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -0.522   3.907  -7.756  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -2.182   5.606  -6.523  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -2.131   6.408  -8.080  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -2.804   3.454  -7.687  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -3.996   4.724  -7.878  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -3.576   3.688  -9.982  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -2.972   5.274 -10.034  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -1.906   3.965  -9.852  1.00 24.98           H   new
ATOM    471  N   ILE A  30       3.351   5.035  -5.140  1.00  4.57           N
ATOM    472  CA  ILE A  30       4.357   5.427  -4.203  1.00  5.58           C
ATOM    473  C   ILE A  30       5.678   5.476  -4.891  1.00  7.26           C
ATOM    474  O   ILE A  30       6.517   6.297  -4.523  1.00  9.46           O
ATOM    475  CB  ILE A  30       4.449   4.665  -2.915  1.00  5.36           C
ATOM    476  CG1 ILE A  30       3.033   4.134  -2.631  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.990   5.551  -1.781  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.842   3.377  -1.318  1.00  2.00           C
ATOM      0  H   ILE A  30       2.994   4.096  -4.960  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       4.036   6.412  -3.864  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       5.154   3.837  -2.986  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       2.343   4.978  -2.642  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       2.744   3.475  -3.450  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       5.045   4.970  -0.860  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       5.985   5.911  -2.043  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.324   6.401  -1.634  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.805   3.054  -1.232  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       3.496   2.505  -1.302  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       3.089   4.031  -0.482  1.00  2.00           H   new
ATOM    490  N   GLN A  31       5.954   4.626  -5.895  1.00  7.06           N
ATOM    491  CA  GLN A  31       7.235   4.672  -6.530  1.00  8.67           C
ATOM    492  C   GLN A  31       7.319   5.871  -7.411  1.00 10.90           C
ATOM    493  O   GLN A  31       8.366   6.511  -7.503  1.00  9.63           O
ATOM    494  CB  GLN A  31       7.450   3.388  -7.349  1.00  9.12           C
ATOM    495  CG  GLN A  31       8.716   3.394  -8.209  1.00 10.76           C
ATOM    496  CD  GLN A  31       8.522   2.478  -9.409  1.00 13.78           C
ATOM    497  OE1 GLN A  31       7.895   1.426  -9.297  1.00 14.48           O
ATOM    498  NE2 GLN A  31       9.069   2.884 -10.585  1.00 14.76           N
ATOM      0  H   GLN A  31       5.310   3.924  -6.260  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       8.015   4.742  -5.772  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       7.492   2.539  -6.667  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       6.586   3.235  -7.996  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       8.935   4.408  -8.544  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       9.570   3.061  -7.619  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       9.581   3.765 -10.632  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       8.967   2.308 -11.421  1.00 14.76           H   new
ATOM    507  N   ASP A  32       6.168   6.184  -8.032  1.00 10.93           N
ATOM    508  CA  ASP A  32       6.052   7.334  -8.874  1.00 14.01           C
ATOM    509  C   ASP A  32       6.219   8.610  -8.122  1.00 14.04           C
ATOM    510  O   ASP A  32       7.108   9.423  -8.369  1.00 13.39           O
ATOM    511  CB  ASP A  32       4.672   7.209  -9.540  1.00 18.01           C
ATOM    512  CG  ASP A  32       4.646   7.996 -10.843  1.00 24.33           C
ATOM    513  OD1 ASP A  32       5.098   7.403 -11.858  1.00 26.29           O
ATOM    514  OD2 ASP A  32       4.307   9.210 -10.834  1.00 25.17           O
ATOM      0  H   ASP A  32       5.312   5.636  -7.950  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       6.847   7.367  -9.619  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       4.448   6.160  -9.735  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       3.900   7.580  -8.866  1.00 18.01           H   new
ATOM    519  N   LYS A  33       5.488   8.815  -7.012  1.00 14.22           N
ATOM    520  CA  LYS A  33       5.344  10.045  -6.297  1.00 14.00           C
ATOM    521  C   LYS A  33       6.501  10.309  -5.395  1.00 12.37           C
ATOM    522  O   LYS A  33       7.104  11.372  -5.535  1.00 12.17           O
ATOM    523  CB  LYS A  33       4.035  10.008  -5.490  1.00 18.62           C
ATOM    524  CG  LYS A  33       2.834  10.249  -6.406  1.00 24.00           C
ATOM    525  CD  LYS A  33       1.541  10.123  -5.599  1.00 27.61           C
ATOM    526  CE  LYS A  33       1.338  10.937  -4.319  1.00 27.64           C
ATOM    527  NZ  LYS A  33       1.173  12.373  -4.636  1.00 30.06           N
ATOM      0  H   LYS A  33       4.956   8.059  -6.581  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       5.314  10.859  -7.022  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       3.934   9.043  -4.994  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       4.061  10.767  -4.708  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       2.899  11.240  -6.855  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       2.836   9.528  -7.223  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       0.718  10.370  -6.270  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       1.430   9.072  -5.332  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33       0.460  10.573  -3.786  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33       2.192  10.801  -3.656  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33       1.036  12.909  -3.756  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       2.023  12.720  -5.125  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33       0.344  12.500  -5.251  1.00 30.06           H   new
ATOM    541  N   GLU A  34       6.845   9.387  -4.478  1.00 10.11           N
ATOM    542  CA  GLU A  34       7.764   9.680  -3.422  1.00 10.07           C
ATOM    543  C   GLU A  34       9.153   9.280  -3.781  1.00  9.32           C
ATOM    544  O   GLU A  34      10.118   9.996  -3.518  1.00 11.61           O
ATOM    545  CB  GLU A  34       7.249   8.908  -2.196  1.00 14.77           C
ATOM    546  CG  GLU A  34       5.802   9.265  -1.848  1.00 18.75           C
ATOM    547  CD  GLU A  34       5.696  10.753  -1.547  1.00 22.28           C
ATOM    548  OE1 GLU A  34       6.606  11.121  -0.757  1.00 25.19           O
ATOM    549  OE2 GLU A  34       4.848  11.507  -2.095  1.00 21.95           O
ATOM      0  H   GLU A  34       6.484   8.433  -4.468  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       7.813  10.750  -3.222  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       7.320   7.837  -2.388  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.889   9.122  -1.340  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       5.144   9.005  -2.677  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       5.472   8.686  -0.985  1.00 18.75           H   new
ATOM    556  N   GLY A  35       9.261   8.177  -4.543  1.00  7.22           N
ATOM    557  CA  GLY A  35      10.467   7.553  -4.992  1.00  6.29           C
ATOM    558  C   GLY A  35      10.959   6.491  -4.070  1.00  6.93           C
ATOM    559  O   GLY A  35      12.116   6.484  -3.655  1.00  7.41           O
ATOM      0  H   GLY A  35       8.433   7.681  -4.872  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35      10.298   7.119  -5.978  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35      11.240   8.313  -5.106  1.00  6.29           H   new
ATOM    563  N   ILE A  36      10.092   5.514  -3.748  1.00  5.86           N
ATOM    564  CA  ILE A  36      10.409   4.489  -2.803  1.00  6.07           C
ATOM    565  C   ILE A  36      10.456   3.243  -3.620  1.00  6.36           C
ATOM    566  O   ILE A  36       9.346   2.813  -3.929  1.00  6.18           O
ATOM    567  CB  ILE A  36       9.397   4.533  -1.698  1.00  7.47           C
ATOM    568  CG1 ILE A  36       9.110   5.930  -1.121  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.872   3.614  -0.560  1.00  7.36           C
ATOM    570  CD1 ILE A  36       8.139   5.777   0.049  1.00  9.49           C
ATOM      0  H   ILE A  36       9.158   5.435  -4.149  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      11.362   4.588  -2.283  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       8.458   4.202  -2.143  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36      10.035   6.400  -0.787  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.682   6.576  -1.887  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.145   3.635   0.252  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.970   2.594  -0.933  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.838   3.960  -0.192  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.922   6.758   0.473  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       7.214   5.322  -0.303  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       8.587   5.143   0.813  1.00  9.49           H   new
ATOM    582  N   PRO A  37      11.451   2.537  -4.069  1.00  8.65           N
ATOM    583  CA  PRO A  37      11.288   1.364  -4.878  1.00  9.18           C
ATOM    584  C   PRO A  37      10.471   0.261  -4.300  1.00  9.85           C
ATOM    585  O   PRO A  37      10.507   0.112  -3.079  1.00  8.51           O
ATOM    586  CB  PRO A  37      12.705   0.836  -5.095  1.00 11.42           C
ATOM    587  CG  PRO A  37      13.522   2.138  -5.082  1.00  9.27           C
ATOM    588  CD  PRO A  37      12.841   2.953  -3.970  1.00  8.33           C
ATOM      0  HA  PRO A  37      10.743   1.661  -5.774  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      13.013   0.151  -4.305  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      12.803   0.300  -6.039  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      14.574   1.954  -4.863  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      13.482   2.651  -6.043  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      13.261   2.729  -2.990  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      12.954   4.026  -4.128  1.00  8.33           H   new
ATOM    596  N   PRO A  38       9.647  -0.465  -4.995  1.00  8.71           N
ATOM    597  CA  PRO A  38       8.566  -1.232  -4.450  1.00  9.08           C
ATOM    598  C   PRO A  38       8.997  -2.430  -3.677  1.00  9.28           C
ATOM    599  O   PRO A  38       8.201  -2.887  -2.858  1.00  6.50           O
ATOM    600  CB  PRO A  38       7.562  -1.574  -5.549  1.00 10.31           C
ATOM    601  CG  PRO A  38       8.400  -1.322  -6.813  1.00 10.81           C
ATOM    602  CD  PRO A  38       9.407  -0.233  -6.411  1.00 12.00           C
ATOM      0  HA  PRO A  38       8.073  -0.603  -3.709  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       7.217  -2.606  -5.484  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       6.677  -0.939  -5.509  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       8.909  -2.230  -7.137  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       7.774  -0.994  -7.643  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38      10.328  -0.312  -6.988  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       9.005   0.765  -6.587  1.00 12.00           H   new
ATOM    610  N   ASP A  39      10.237  -2.922  -3.851  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.728  -4.085  -3.180  1.00 14.96           C
ATOM    612  C   ASP A  39      11.052  -3.719  -1.773  1.00 13.99           C
ATOM    613  O   ASP A  39      10.846  -4.411  -0.776  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.932  -4.694  -3.920  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.461  -5.552  -5.085  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.742  -6.556  -4.836  1.00 34.22           O
ATOM    617  OD2 ASP A  39      11.689  -5.217  -6.278  1.00 35.55           O
ATOM      0  H   ASP A  39      10.919  -2.497  -4.479  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.961  -4.860  -3.173  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      12.582  -3.899  -4.285  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      12.523  -5.298  -3.231  1.00 24.16           H   new
ATOM    622  N   GLN A  40      11.480  -2.456  -1.600  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.719  -1.764  -0.371  1.00 10.76           C
ATOM    624  C   GLN A  40      10.513  -1.346   0.397  1.00  8.01           C
ATOM    625  O   GLN A  40      10.636  -1.036   1.580  1.00  8.96           O
ATOM    626  CB  GLN A  40      12.495  -0.449  -0.550  1.00 11.14           C
ATOM    627  CG  GLN A  40      13.764  -0.794  -1.332  1.00 14.85           C
ATOM    628  CD  GLN A  40      14.781   0.338  -1.321  1.00 16.11           C
ATOM    629  OE1 GLN A  40      14.904   1.092  -0.357  1.00 20.52           O
ATOM    630  NE2 GLN A  40      15.574   0.371  -2.425  1.00 18.16           N
ATOM      0  H   GLN A  40      11.678  -1.861  -2.404  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.274  -2.531   0.170  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.895   0.285  -1.089  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      12.743  -0.010   0.417  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      14.217  -1.689  -0.906  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.499  -1.030  -2.363  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      15.413  -0.287  -3.188  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      16.329   1.053  -2.490  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.317  -1.548  -0.185  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.079  -1.152   0.411  1.00  3.87           C
ATOM    641  C   GLN A  41       7.387  -2.367   0.926  1.00  4.79           C
ATOM    642  O   GLN A  41       7.344  -3.424   0.298  1.00  6.34           O
ATOM    643  CB  GLN A  41       7.065  -0.483  -0.531  1.00  4.20           C
ATOM    644  CG  GLN A  41       7.408   0.842  -1.215  1.00  3.20           C
ATOM    645  CD  GLN A  41       6.386   1.254  -2.264  1.00  4.89           C
ATOM    646  OE1 GLN A  41       5.180   1.019  -2.200  1.00  5.21           O
ATOM    647  NE2 GLN A  41       6.864   1.586  -3.493  1.00  7.13           N
ATOM      0  H   GLN A  41       9.208  -1.998  -1.094  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.365  -0.423   1.169  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.831  -1.201  -1.317  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       6.150  -0.325   0.039  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.481   1.625  -0.460  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       8.388   0.759  -1.684  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       7.855   1.793  -3.616  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       6.231   1.628  -4.292  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.749  -2.316   2.108  1.00  5.73           N
ATOM    657  CA  ARG A  42       5.767  -3.250   2.564  1.00  6.97           C
ATOM    658  C   ARG A  42       4.661  -2.512   3.236  1.00  7.15           C
ATOM    659  O   ARG A  42       4.873  -1.863   4.259  1.00  7.33           O
ATOM    660  CB  ARG A  42       6.309  -4.327   3.520  1.00 13.23           C
ATOM    661  CG  ARG A  42       5.318  -5.190   4.304  1.00 21.27           C
ATOM    662  CD  ARG A  42       6.032  -6.071   5.331  1.00 26.14           C
ATOM    663  NE  ARG A  42       6.894  -7.103   4.690  1.00 32.26           N
ATOM    664  CZ  ARG A  42       7.538  -8.066   5.413  1.00 34.32           C
ATOM    665  NH1 ARG A  42       7.803  -7.959   6.747  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.969  -9.161   4.721  1.00 36.39           N
ATOM      0  H   ARG A  42       6.930  -1.577   2.787  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.418  -3.778   1.677  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       6.939  -4.998   2.936  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       6.956  -3.830   4.243  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       4.598  -4.549   4.812  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       4.755  -5.818   3.613  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       6.642  -5.445   5.982  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       5.291  -6.561   5.963  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       7.007  -7.090   3.676  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       7.516  -7.125   7.259  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       8.288  -8.713   7.233  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       7.804  -9.227   3.717  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       8.456  -9.913   5.208  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.455  -2.643   2.655  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.261  -2.031   3.150  1.00  3.51           C
ATOM    682  C   LEU A  43       1.553  -2.835   4.185  1.00  5.56           C
ATOM    683  O   LEU A  43       1.192  -3.986   3.941  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.203  -1.681   2.090  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.641  -0.595   1.093  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.837  -0.859  -0.191  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.526   0.777   1.779  1.00  9.55           C
ATOM      0  H   LEU A  43       3.306  -3.195   1.810  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.668  -1.113   3.573  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       0.948  -2.584   1.536  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.296  -1.350   2.595  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.687  -0.612   0.786  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.102  -0.118  -0.945  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.067  -1.856  -0.566  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.229  -0.790   0.026  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       1.834   1.558   1.084  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.493   0.947   2.082  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.170   0.799   2.658  1.00  9.55           H   new
ATOM    699  N   ILE A  44       1.203  -2.226   5.333  1.00  4.58           N
ATOM    700  CA  ILE A  44       0.473  -2.896   6.364  1.00  5.55           C
ATOM    701  C   ILE A  44      -0.836  -2.260   6.681  1.00  5.46           C
ATOM    702  O   ILE A  44      -0.872  -1.034   6.770  1.00  6.04           O
ATOM    703  CB  ILE A  44       1.409  -3.026   7.529  1.00  6.80           C
ATOM    704  CG1 ILE A  44       2.774  -3.560   7.061  1.00 10.31           C
ATOM    705  CG2 ILE A  44       0.709  -3.852   8.622  1.00  7.39           C
ATOM    706  CD1 ILE A  44       3.708  -4.005   8.186  1.00 13.90           C
ATOM      0  H   ILE A  44       1.430  -1.255   5.548  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       0.160  -3.887   6.035  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       1.641  -2.060   7.978  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       2.608  -4.403   6.391  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       3.272  -2.784   6.480  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       1.374  -3.958   9.479  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44      -0.205  -3.345   8.932  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       0.462  -4.839   8.230  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       4.644  -4.366   7.760  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       3.910  -3.161   8.846  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       3.236  -4.806   8.755  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -1.942  -3.008   6.844  1.00  6.75           N
ATOM    719  CA  PHE A  45      -3.189  -2.471   7.294  1.00  4.70           C
ATOM    720  C   PHE A  45      -3.324  -2.946   8.700  1.00  6.34           C
ATOM    721  O   PHE A  45      -3.527  -4.144   8.888  1.00  5.45           O
ATOM    722  CB  PHE A  45      -4.430  -2.966   6.532  1.00  5.51           C
ATOM    723  CG  PHE A  45      -5.807  -2.696   7.031  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -6.132  -1.451   7.516  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -6.802  -3.645   7.012  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -7.419  -1.091   7.840  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -8.106  -3.312   7.298  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -8.411  -2.033   7.699  1.00  6.84           C
ATOM      0  H   PHE A  45      -1.970  -4.011   6.658  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -3.162  -1.391   7.152  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -4.370  -2.551   5.526  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -4.333  -4.048   6.437  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -5.343  -0.725   7.648  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -6.556  -4.668   6.769  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -7.644  -0.096   8.195  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -8.887  -4.053   7.208  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -9.437  -1.766   7.905  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -3.081  -2.090   9.708  1.00  6.53           N
ATOM    739  CA  ALA A  46      -2.986  -2.423  11.096  1.00  7.15           C
ATOM    740  C   ALA A  46      -1.862  -3.348  11.413  1.00  9.00           C
ATOM    741  O   ALA A  46      -0.681  -3.032  11.270  1.00 11.15           O
ATOM    742  CB  ALA A  46      -4.358  -2.718  11.726  1.00  8.99           C
ATOM      0  H   ALA A  46      -2.941  -1.094   9.540  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -2.671  -1.528  11.633  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -4.229  -2.965  12.780  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -4.997  -1.839  11.635  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -4.822  -3.559  11.210  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -2.237  -4.584  11.786  1.00  9.35           N
ATOM    749  CA  GLY A  47      -1.299  -5.656  11.915  1.00 11.68           C
ATOM    750  C   GLY A  47      -0.918  -6.493  10.743  1.00 11.14           C
ATOM    751  O   GLY A  47       0.024  -7.280  10.814  1.00 13.93           O
ATOM      0  H   GLY A  47      -3.200  -4.843  12.000  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47      -0.379  -5.228  12.313  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47      -1.691  -6.332  12.675  1.00 11.68           H   new
ATOM    755  N   LYS A  48      -1.626  -6.298   9.616  1.00 10.47           N
ATOM    756  CA  LYS A  48      -1.616  -7.202   8.508  1.00  8.82           C
ATOM    757  C   LYS A  48      -1.023  -6.549   7.307  1.00  7.68           C
ATOM    758  O   LYS A  48      -1.553  -5.596   6.738  1.00  6.47           O
ATOM    759  CB  LYS A  48      -3.066  -7.655   8.272  1.00  9.74           C
ATOM    760  CG  LYS A  48      -3.234  -8.521   7.022  1.00 14.14           C
ATOM    761  CD  LYS A  48      -4.703  -8.894   6.815  1.00 16.32           C
ATOM    762  CE  LYS A  48      -5.322  -9.744   7.927  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -4.721 -11.097   7.944  1.00 23.92           N
ATOM      0  H   LYS A  48      -2.225  -5.485   9.471  1.00 10.47           H   new
ATOM      0  HA  LYS A  48      -0.995  -8.074   8.716  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -3.411  -8.214   9.142  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -3.704  -6.776   8.185  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -2.864  -7.984   6.149  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -2.634  -9.426   7.117  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -5.284  -7.977   6.715  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -4.795  -9.434   5.873  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -5.168  -9.259   8.891  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -6.399  -9.820   7.777  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -5.165 -11.665   8.694  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.875 -11.557   7.024  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.700 -11.021   8.126  1.00 23.92           H   new
ATOM    777  N   GLN A  49       0.123  -7.122   6.897  1.00  8.89           N
ATOM    778  CA  GLN A  49       0.843  -6.870   5.688  1.00  7.18           C
ATOM    779  C   GLN A  49       0.082  -7.446   4.544  1.00  8.23           C
ATOM    780  O   GLN A  49      -0.449  -8.547   4.685  1.00  9.70           O
ATOM    781  CB  GLN A  49       2.283  -7.411   5.667  1.00 11.67           C
ATOM    782  CG  GLN A  49       2.500  -8.909   5.890  1.00 15.82           C
ATOM    783  CD  GLN A  49       3.955  -9.223   6.209  1.00 20.21           C
ATOM    784  OE1 GLN A  49       4.768  -9.559   5.349  1.00 23.23           O
ATOM    785  NE2 GLN A  49       4.404  -9.032   7.478  1.00 20.67           N
ATOM      0  H   GLN A  49       0.587  -7.828   7.468  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       0.936  -5.787   5.612  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       2.721  -7.152   4.703  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       2.850  -6.876   6.429  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       1.866  -9.251   6.708  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       2.196  -9.458   4.999  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       3.754  -8.753   8.213  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       5.391  -9.168   7.695  1.00 20.67           H   new
ATOM    794  N   LEU A  50      -0.052  -6.654   3.465  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.793  -7.030   2.301  1.00  7.41           C
ATOM    796  C   LEU A  50       0.076  -7.615   1.241  1.00  8.27           C
ATOM    797  O   LEU A  50       1.095  -6.977   0.982  1.00  8.34           O
ATOM    798  CB  LEU A  50      -1.494  -5.802   1.697  1.00  7.13           C
ATOM    799  CG  LEU A  50      -2.541  -5.095   2.575  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -3.114  -6.012   3.668  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -2.143  -3.711   3.115  1.00  8.14           C
ATOM      0  H   LEU A  50       0.367  -5.726   3.400  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.515  -7.779   2.626  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.729  -5.073   1.428  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.980  -6.110   0.771  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -3.347  -4.873   1.876  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -3.847  -5.461   4.257  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -3.594  -6.874   3.205  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.307  -6.351   4.318  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.956  -3.309   3.719  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -1.247  -3.804   3.728  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.944  -3.038   2.281  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.261  -8.698   0.519  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.566  -9.138  -0.562  1.00 11.90           C
ATOM    815  C   GLU A  51       0.154  -8.436  -1.809  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.024  -8.388  -2.163  1.00  9.88           O
ATOM    817  CB  GLU A  51       0.450 -10.661  -0.748  1.00 16.56           C
ATOM    818  CG  GLU A  51       1.413 -11.270  -1.769  1.00 26.06           C
ATOM    819  CD  GLU A  51       1.456 -12.790  -1.829  1.00 29.86           C
ATOM    820  OE1 GLU A  51       0.409 -13.385  -2.200  1.00 33.44           O
ATOM    821  OE2 GLU A  51       2.520 -13.439  -1.641  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.095  -9.263   0.680  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.606  -8.902  -0.336  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       0.617 -11.142   0.216  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -0.570 -10.897  -1.050  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.146 -10.896  -2.757  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       2.418 -10.907  -1.551  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.170  -8.048  -2.600  1.00 12.71           N
ATOM    829  CA  ASP A  52       1.301  -7.485  -3.908  1.00 16.56           C
ATOM    830  C   ASP A  52       0.241  -7.933  -4.854  1.00 15.83           C
ATOM    831  O   ASP A  52      -0.592  -7.076  -5.145  1.00 17.21           O
ATOM    832  CB  ASP A  52       2.709  -7.777  -4.455  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.705  -6.988  -3.617  1.00 25.12           C
ATOM    834  OD1 ASP A  52       4.115  -7.554  -2.570  1.00 28.37           O
ATOM    835  OD2 ASP A  52       4.158  -5.900  -4.064  1.00 25.82           O
ATOM      0  H   ASP A  52       2.110  -8.162  -2.220  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       1.164  -6.408  -3.816  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       2.926  -8.844  -4.402  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       2.779  -7.489  -5.504  1.00 21.05           H   new
ATOM    840  N   GLY A  53       0.293  -9.179  -5.356  1.00 15.00           N
ATOM    841  CA  GLY A  53      -0.625  -9.518  -6.400  1.00 11.77           C
ATOM    842  C   GLY A  53      -1.966  -9.940  -5.906  1.00 11.10           C
ATOM    843  O   GLY A  53      -2.627 -10.736  -6.571  1.00 11.25           O
ATOM      0  H   GLY A  53       0.932  -9.917  -5.061  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -0.745  -8.658  -7.059  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -0.199 -10.323  -6.999  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -2.502  -9.216  -4.907  1.00  8.53           N
ATOM    848  CA  ARG A  54      -3.814  -9.355  -4.355  1.00  9.05           C
ATOM    849  C   ARG A  54      -4.434  -8.001  -4.309  1.00  8.96           C
ATOM    850  O   ARG A  54      -3.652  -7.052  -4.344  1.00 11.60           O
ATOM    851  CB  ARG A  54      -3.796 -10.053  -2.985  1.00  7.97           C
ATOM    852  CG  ARG A  54      -2.831 -11.231  -2.835  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.311 -12.337  -1.894  1.00 12.20           C
ATOM    854  NE  ARG A  54      -2.204 -13.290  -1.597  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -2.296 -14.521  -1.014  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -3.430 -15.138  -0.571  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -1.157 -15.273  -0.999  1.00 25.50           N
ATOM      0  H   ARG A  54      -1.973  -8.473  -4.449  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -4.419 -10.006  -4.987  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.549  -9.310  -2.226  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -4.804 -10.407  -2.769  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -2.652 -11.663  -3.819  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -1.874 -10.855  -2.473  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.679 -11.898  -0.967  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.146 -12.871  -2.348  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -1.267 -12.986  -1.861  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -4.333 -14.672  -0.662  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -3.375 -16.065  -0.149  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -0.298 -14.906  -1.410  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -1.164 -16.202  -0.577  1.00 25.50           H   new
ATOM    871  N   THR A  55      -5.760  -7.780  -4.275  1.00  9.05           N
ATOM    872  CA  THR A  55      -6.391  -6.497  -4.254  1.00  9.03           C
ATOM    873  C   THR A  55      -6.559  -5.947  -2.880  1.00  8.15           C
ATOM    874  O   THR A  55      -6.352  -6.642  -1.887  1.00  5.91           O
ATOM    875  CB  THR A  55      -7.685  -6.467  -5.012  1.00 11.15           C
ATOM    876  OG1 THR A  55      -8.586  -7.434  -4.492  1.00 11.95           O
ATOM    877  CG2 THR A  55      -7.433  -6.902  -6.466  1.00 11.71           C
ATOM      0  H   THR A  55      -6.433  -8.546  -4.261  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -5.698  -5.838  -4.776  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -8.088  -5.457  -4.936  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -8.265  -8.333  -4.715  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -8.372  -6.881  -7.020  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -6.722  -6.220  -6.932  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -7.027  -7.913  -6.478  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.076  -4.709  -2.786  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.685  -4.048  -1.674  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.940  -4.791  -1.364  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.180  -5.094  -0.197  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.894  -2.586  -2.103  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.632  -1.707  -2.113  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -6.905  -0.475  -2.993  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.065  -1.358  -0.727  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.063  -4.095  -3.600  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.091  -4.037  -0.760  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.328  -2.579  -3.103  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.626  -2.132  -1.435  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -5.822  -2.294  -2.545  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.020   0.161  -3.013  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.143  -0.797  -4.007  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.746   0.085  -2.584  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.177  -0.736  -0.843  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.816  -0.815  -0.153  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.799  -2.275  -0.201  1.00  9.85           H   new
ATOM    904  N   SER A  57      -9.754  -5.201  -2.353  1.00  8.92           N
ATOM    905  CA  SER A  57     -10.949  -5.953  -2.121  1.00  9.00           C
ATOM    906  C   SER A  57     -10.742  -7.311  -1.543  1.00  9.44           C
ATOM    907  O   SER A  57     -11.539  -7.768  -0.726  1.00 10.91           O
ATOM    908  CB  SER A  57     -11.730  -6.209  -3.421  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.975  -6.881  -3.302  1.00 13.59           O
ATOM      0  H   SER A  57      -9.578  -5.005  -3.338  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.483  -5.321  -1.412  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -11.908  -5.248  -3.904  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -11.094  -6.789  -4.090  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -13.377  -6.985  -4.190  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.637  -8.017  -1.841  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.257  -9.246  -1.215  1.00  7.91           C
ATOM    917  C   ASP A  58      -9.036  -9.108   0.252  1.00  9.12           C
ATOM    918  O   ASP A  58      -9.725  -9.823   0.979  1.00  8.61           O
ATOM    919  CB  ASP A  58      -7.936  -9.746  -1.822  1.00  8.41           C
ATOM    920  CG  ASP A  58      -8.187 -10.389  -3.179  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -8.915 -11.415  -3.252  1.00 10.05           O
ATOM    922  OD2 ASP A  58      -7.584  -9.884  -4.163  1.00 11.70           O
ATOM      0  H   ASP A  58      -8.974  -7.715  -2.555  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.080  -9.941  -1.384  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -7.240  -8.914  -1.929  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.470 -10.467  -1.151  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.160  -8.188   0.692  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.126  -7.827   2.076  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.268  -7.018   2.588  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.072  -6.496   3.684  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.774  -7.138   2.324  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.568  -7.955   2.012  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.427  -9.018   2.872  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.664  -7.724   1.003  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.491  -9.973   2.551  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.756  -8.719   0.726  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.598  -9.834   1.515  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.498 -10.690   1.294  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.486  -7.701   0.102  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.237  -8.746   2.651  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.737  -6.226   1.728  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.726  -6.837   3.371  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.028  -9.100   3.765  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -4.667  -6.797   0.449  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -4.456 -10.876   3.142  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.137  -8.620  -0.154  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -2.711 -11.588   1.624  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.426  -6.880   1.918  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.585  -6.137   2.305  1.00 13.94           C
ATOM    950  C   ASN A  60     -11.355  -4.801   2.923  1.00 14.16           C
ATOM    951  O   ASN A  60     -11.895  -4.390   3.949  1.00 14.26           O
ATOM    952  CB  ASN A  60     -12.390  -6.994   3.297  1.00 19.23           C
ATOM    953  CG  ASN A  60     -13.869  -6.639   3.336  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -14.376  -5.689   2.742  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -14.645  -7.428   4.127  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.561  -7.335   1.015  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.107  -5.924   1.372  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -12.283  -8.045   3.029  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.968  -6.875   4.295  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -15.641  -7.230   4.225  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -14.231  -8.218   4.623  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.366  -4.090   2.352  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.953  -2.793   2.790  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.908  -1.828   2.175  1.00 13.74           C
ATOM    965  O   ILE A  61     -11.083  -1.801   0.958  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.566  -2.494   2.303  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.630  -3.437   3.078  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -8.158  -1.020   2.457  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.133  -3.357   2.783  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.833  -4.433   1.553  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.948  -2.730   3.878  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.507  -2.664   1.228  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -7.772  -3.249   4.142  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -7.954  -4.460   2.889  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -7.143  -0.882   2.083  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.843  -0.392   1.888  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -8.198  -0.739   3.509  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.601  -4.079   3.403  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.957  -3.582   1.731  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.772  -2.353   3.004  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.708  -1.087   2.962  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.671  -0.238   2.333  1.00 15.52           C
ATOM    983  C   GLN A  62     -12.126   1.148   2.273  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.923   1.404   2.304  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.904  -0.420   3.235  1.00 19.53           C
ATOM    986  CG  GLN A  62     -14.795  -1.624   2.922  1.00 26.38           C
ATOM    987  CD  GLN A  62     -15.787  -1.825   4.060  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -15.385  -1.842   5.222  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -17.120  -1.736   3.805  1.00 32.71           N
ATOM      0  H   GLN A  62     -11.694  -1.072   3.982  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.921  -0.467   1.297  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -13.565  -0.504   4.267  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -14.512   0.482   3.171  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -15.327  -1.463   1.984  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -14.185  -2.518   2.793  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -17.455  -1.722   2.842  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -17.785  -1.683   4.577  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -13.068   2.107   2.306  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.720   3.457   1.987  1.00 11.97           C
ATOM   1000  C   LYS A  63     -12.003   4.108   3.120  1.00 10.41           C
ATOM   1001  O   LYS A  63     -12.173   3.672   4.257  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.872   4.421   1.657  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.941   4.555   2.744  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -16.244   5.207   2.275  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -17.339   5.291   3.339  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -16.668   5.606   4.620  1.00 25.97           N
ATOM      0  H   LYS A  63     -14.047   1.955   2.547  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -12.121   3.317   1.087  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -13.453   5.408   1.458  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -14.352   4.087   0.737  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -15.167   3.564   3.138  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.532   5.140   3.568  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -16.023   6.214   1.921  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -16.628   4.647   1.422  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -18.067   6.061   3.084  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -17.883   4.349   3.409  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.381   5.872   5.329  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -16.144   4.771   4.952  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -16.007   6.396   4.480  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -11.195   5.148   2.847  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -10.685   6.089   3.796  1.00 10.94           C
ATOM   1022  C   GLU A  64      -9.759   5.469   4.785  1.00  9.74           C
ATOM   1023  O   GLU A  64      -9.349   6.046   5.791  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.732   7.012   4.440  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -12.700   7.704   3.478  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -13.878   8.142   4.336  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -14.602   7.272   4.889  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -14.147   9.360   4.519  1.00 31.72           O
ATOM      0  H   GLU A  64     -10.877   5.344   1.898  1.00 10.04           H   new
ATOM      0  HA  GLU A  64     -10.086   6.771   3.192  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -12.315   6.427   5.151  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -11.209   7.779   5.011  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -12.228   8.558   2.993  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -13.021   7.025   2.687  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -9.353   4.200   4.597  1.00  6.85           N
ATOM   1036  CA  SER A  65      -8.432   3.462   5.405  1.00  6.90           C
ATOM   1037  C   SER A  65      -7.018   3.927   5.454  1.00  4.72           C
ATOM   1038  O   SER A  65      -6.471   4.382   4.450  1.00  3.91           O
ATOM   1039  CB  SER A  65      -8.381   2.031   4.844  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.614   1.330   4.920  1.00 10.56           O
ATOM      0  H   SER A  65      -9.699   3.646   3.814  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -8.815   3.578   6.419  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -8.064   2.073   3.802  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.622   1.467   5.386  1.00  7.28           H   new
ATOM      0  HG  SER A  65     -10.065   1.367   4.051  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -6.426   4.028   6.658  1.00  4.48           N
ATOM   1047  CA  THR A  66      -5.029   4.242   6.873  1.00  3.80           C
ATOM   1048  C   THR A  66      -4.164   3.030   6.822  1.00  4.60           C
ATOM   1049  O   THR A  66      -4.310   2.122   7.639  1.00  5.33           O
ATOM   1050  CB  THR A  66      -4.751   5.138   8.043  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -5.407   6.371   7.785  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -3.286   5.559   8.249  1.00  3.40           C
ATOM      0  H   THR A  66      -6.952   3.956   7.529  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -4.714   4.788   5.984  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -5.072   4.566   8.913  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -5.251   6.987   8.531  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -3.213   6.204   9.124  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -2.670   4.672   8.399  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.936   6.099   7.370  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -3.296   2.992   5.795  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -2.321   1.946   5.801  1.00  3.85           C
ATOM   1062  C   LEU A  67      -1.007   2.516   6.211  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.699   3.705   6.144  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -2.164   1.239   4.444  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -3.176   0.164   4.014  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.630   0.613   4.235  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.964  -0.149   2.523  1.00  8.12           C
ATOM      0  H   LEU A  67      -3.265   3.640   5.008  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -2.670   1.191   6.506  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -2.165   2.011   3.675  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -1.176   0.778   4.431  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.008  -0.721   4.628  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -5.308  -0.179   3.917  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.789   0.823   5.293  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.825   1.513   3.653  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.676  -0.911   2.206  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -3.116   0.757   1.936  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.949  -0.515   2.369  1.00  8.12           H   new
ATOM   1079  N   HIS A  68      -0.142   1.634   6.743  1.00  2.94           N
ATOM   1080  CA  HIS A  68       1.102   1.974   7.360  1.00  4.17           C
ATOM   1081  C   HIS A  68       2.134   1.531   6.381  1.00  5.32           C
ATOM   1082  O   HIS A  68       2.149   0.398   5.902  1.00  7.70           O
ATOM   1083  CB  HIS A  68       1.275   1.236   8.699  1.00  5.57           C
ATOM   1084  CG  HIS A  68       0.407   1.654   9.849  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       0.362   2.979  10.233  1.00 13.74           N
ATOM   1086  CD2 HIS A  68      -0.274   0.941  10.785  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -0.414   3.062  11.346  1.00 14.75           C
ATOM   1088  NE2 HIS A  68      -0.779   1.844  11.698  1.00 16.30           N
ATOM      0  H   HIS A  68      -0.321   0.630   6.742  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.170   3.038   7.589  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       1.104   0.174   8.520  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       2.315   1.344   9.008  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68      -0.397  -0.132  10.809  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -0.686   3.974  11.857  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68      -1.344   1.608  12.514  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.090   2.371   5.945  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.100   1.926   5.036  1.00  3.97           C
ATOM   1098  C   LEU A  69       5.388   1.718   5.757  1.00  5.07           C
ATOM   1099  O   LEU A  69       5.988   2.629   6.326  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.186   2.969   3.910  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.455   2.787   3.060  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.798   1.464   2.354  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       5.667   3.909   2.030  1.00  6.87           C
ATOM      0  H   LEU A  69       3.164   3.351   6.219  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       3.857   0.959   4.596  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.306   2.888   3.272  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       4.177   3.970   4.340  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.139   2.805   3.909  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.739   1.573   1.815  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       5.894   0.670   3.095  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.004   1.210   1.651  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.580   3.717   1.466  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       4.818   3.941   1.347  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       5.754   4.865   2.546  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       5.881   0.478   5.588  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.015   0.024   6.332  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.053  -0.097   5.270  1.00  9.22           C
ATOM   1118  O   VAL A  70       7.733  -0.426   4.129  1.00  9.36           O
ATOM   1119  CB  VAL A  70       6.803  -1.139   7.256  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.061  -1.489   8.068  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       5.610  -0.772   8.155  1.00  8.54           C
ATOM      0  H   VAL A  70       5.496  -0.208   4.939  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       7.318   0.713   7.121  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       6.592  -2.043   6.685  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       7.850  -2.337   8.719  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       8.873  -1.747   7.388  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       8.354  -0.631   8.673  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       5.413  -1.589   8.849  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       5.842   0.133   8.716  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       4.728  -0.600   7.537  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.328   0.145   5.624  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.419  -0.134   4.743  1.00 16.06           C
ATOM   1133  C   LEU A  71      10.922  -1.523   4.937  1.00 18.09           C
ATOM   1134  O   LEU A  71      11.186  -1.923   6.069  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.571   0.872   4.909  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.158   2.268   4.414  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      12.410   3.156   4.321  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.392   2.396   3.086  1.00 17.51           C
ATOM      0  H   LEU A  71       9.604   0.536   6.525  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.035  -0.035   3.728  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      11.864   0.926   5.958  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.443   0.528   4.352  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.429   2.576   5.164  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      12.127   4.149   3.971  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.873   3.237   5.305  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.119   2.713   3.622  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.180   3.447   2.888  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      10.997   1.989   2.276  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.455   1.843   3.152  1.00 17.51           H   new