USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  60 ASN     :      amide:sc=   0.575  K(o=1.6,f=-1.5!)
USER  MOD Set 1.2: A  62 GLN     :      amide:sc=    1.03  K(o=1.6,f=-0.35)
USER  MOD Set 2.1: A  22 THR OG1 :   rot  180:sc=  0.0969
USER  MOD Set 2.2: A  25 ASN     :      amide:sc=  0.0963  X(o=0.19,f=0)
USER  MOD Set 3.1: A   7 THR OG1 :   rot  180:sc=    0.46
USER  MOD Set 3.2: A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   1 MET CE  :methyl -171:sc=       0   (180deg=-0.00809)
USER  MOD Single : A   1 MET N   :NH3+    167:sc=    1.24   (180deg=1.16)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+    158:sc=    1.22   (180deg=0.742)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  27 LYS NZ  :NH3+    134:sc=     1.3   (180deg=0.261)
USER  MOD Single : A  29 LYS NZ  :NH3+   -136:sc=   0.257   (180deg=0)
USER  MOD Single : A  31 GLN     :FLIP  amide:sc= -0.0808  F(o=-0.85,f=-0.081)
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=-0.66)
USER  MOD Single : A  41 GLN     :      amide:sc=  -0.308  K(o=-0.31,f=-2.2)
USER  MOD Single : A  48 LYS NZ  :NH3+   -174:sc=       0   (180deg=-0.0527)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  X(o=0,f=-0.093)
USER  MOD Single : A  55 THR OG1 :   rot  -62:sc=   0.408
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  180:sc=   0.441
USER  MOD Single : A  63 LYS NZ  :NH3+    149:sc=    1.32   (180deg=0.972)
USER  MOD Single : A  65 SER OG  :   rot   96:sc=   0.851
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=-0.024)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.129   4.394  -4.656  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.028   4.369  -3.180  1.00 10.38           C
ATOM      3  C   MET A   1     -10.670   4.817  -2.761  1.00  9.62           C
ATOM      4  O   MET A   1      -9.659   4.391  -3.318  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.186   2.880  -2.826  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.338   2.582  -1.333  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.547   0.785  -1.151  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.795   0.510  -0.761  1.00 16.11           C
ATOM      0  H1  MET A   1     -12.983   3.880  -4.954  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.186   5.379  -4.983  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.290   3.940  -5.069  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.762   5.014  -2.698  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.058   2.488  -3.350  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.318   2.339  -3.203  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.461   2.923  -0.783  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -13.198   3.111  -0.922  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.588  -0.560  -0.751  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.174   0.992  -1.516  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.570   0.933   0.218  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.544   5.813  -1.867  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.282   6.327  -1.432  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.654   5.569  -0.314  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.328   5.379   0.698  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.314   7.811  -1.028  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.142   8.592  -2.050  1.00 17.01           C
ATOM     26  CD  GLN A   2      -9.942  10.073  -1.758  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -8.946  10.686  -2.140  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -10.908  10.717  -1.050  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.343   6.275  -1.433  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.674   6.205  -2.328  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -9.745   7.920  -0.033  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -8.301   8.210  -0.982  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.824   8.354  -3.065  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.196   8.325  -1.976  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -11.733  10.208  -0.734  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -10.807  11.709  -0.835  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.412   5.056  -0.355  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.746   4.569   0.813  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.602   5.503   1.004  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.068   6.103   0.073  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.515   3.093   0.674  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.806   2.741  -0.644  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.877   2.411   0.887  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.066   1.417  -0.457  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.862   4.978  -1.210  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.296   4.588   1.754  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.820   2.719   1.426  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.531   2.659  -1.454  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.107   3.530  -0.921  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.761   1.331   0.795  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.253   2.653   1.881  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.583   2.765   0.136  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.556   1.151  -1.383  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.334   1.520   0.344  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.780   0.635  -0.198  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.071   5.370   2.233  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.803   5.958   2.533  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.724   4.935   2.633  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.901   3.964   3.367  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.884   6.848   3.785  1.00  4.83           C
ATOM     61  CG  PHE A   4      -4.957   7.881   3.816  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -4.906   8.867   2.859  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -6.020   7.761   4.680  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -5.893   9.824   2.873  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -6.943   8.780   4.686  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -6.935   9.806   3.770  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.509   4.866   3.004  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.535   6.604   1.697  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.013   6.201   4.652  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -2.925   7.353   3.904  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.117   8.889   2.121  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -6.125   6.902   5.327  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -5.848  10.624   2.149  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -7.711   8.775   5.446  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -7.708  10.560   3.756  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.547   5.260   2.069  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.284   4.611   2.235  1.00  3.87           C
ATOM     78  C   VAL A   5       0.622   5.634   2.828  1.00  4.93           C
ATOM     79  O   VAL A   5       1.197   6.541   2.229  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.234   3.898   1.021  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.625   3.281   1.244  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.799   2.825   0.637  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.476   6.056   1.435  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.374   3.760   2.910  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.363   4.615   0.210  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.950   2.778   0.333  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.336   4.068   1.498  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.576   2.559   2.059  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.453   2.286  -0.245  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.922   2.126   1.464  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.755   3.302   0.419  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.854   5.485   4.144  1.00  6.04           N
ATOM     93  CA  LYS A   6       1.704   6.354   4.898  1.00  6.12           C
ATOM     94  C   LYS A   6       3.118   5.883   4.865  1.00  6.57           C
ATOM     95  O   LYS A   6       3.309   4.679   5.027  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.201   6.450   6.348  1.00  7.45           C
ATOM     97  CG  LYS A   6       1.712   7.784   6.897  1.00 11.12           C
ATOM     98  CD  LYS A   6       1.498   7.842   8.411  1.00 14.54           C
ATOM     99  CE  LYS A   6       2.343   8.885   9.145  1.00 18.84           C
ATOM    100  NZ  LYS A   6       1.667  10.200   9.080  1.00 20.55           N
ATOM      0  H   LYS A   6       0.438   4.738   4.700  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       1.673   7.345   4.445  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.112   6.407   6.385  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       1.574   5.617   6.944  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       2.771   7.900   6.666  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       1.188   8.610   6.415  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       0.445   8.047   8.606  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       1.715   6.860   8.831  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       2.485   8.588  10.184  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       3.333   8.950   8.694  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       2.240  10.910   9.579  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       1.553  10.483   8.086  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       0.732  10.132   9.530  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.171   6.692   4.653  1.00  7.41           N
ATOM    115  CA  THR A   7       5.530   6.282   4.828  1.00  7.48           C
ATOM    116  C   THR A   7       6.009   6.319   6.239  1.00  8.75           C
ATOM    117  O   THR A   7       5.145   6.479   7.100  1.00  8.58           O
ATOM    118  CB  THR A   7       6.447   6.970   3.861  1.00  9.61           C
ATOM    119  OG1 THR A   7       6.476   8.390   3.874  1.00 11.78           O
ATOM    120  CG2 THR A   7       5.971   6.656   2.433  1.00  9.17           C
ATOM      0  H   THR A   7       4.074   7.661   4.351  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.554   5.221   4.581  1.00  7.48           H   new
ATOM      0  HB  THR A   7       7.429   6.603   4.161  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       7.112   8.710   3.201  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       6.626   7.148   1.715  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       5.997   5.579   2.269  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.951   7.018   2.301  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.318   6.140   6.487  1.00  9.84           N
ATOM    129  CA  LEU A   8       7.816   5.988   7.819  1.00 14.15           C
ATOM    130  C   LEU A   8       8.421   7.238   8.358  1.00 17.37           C
ATOM    131  O   LEU A   8       8.293   7.628   9.517  1.00 17.01           O
ATOM    132  CB  LEU A   8       8.940   4.938   7.849  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.509   4.354   9.153  1.00 18.88           C
ATOM    134  CD1 LEU A   8       8.488   3.397   9.790  1.00 18.59           C
ATOM    135  CD2 LEU A   8      10.745   3.487   8.861  1.00 19.31           C
ATOM      0  H   LEU A   8       8.035   6.100   5.762  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       6.954   5.701   8.421  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       8.588   4.092   7.259  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       9.783   5.372   7.311  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       9.749   5.195   9.803  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       8.899   2.988  10.713  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       7.569   3.940  10.011  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       8.271   2.583   9.098  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      11.134   3.082   9.795  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      10.466   2.668   8.198  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      11.512   4.096   8.382  1.00 19.31           H   new
ATOM    147  N   THR A   9       8.947   8.098   7.467  1.00 18.33           N
ATOM    148  CA  THR A   9       9.230   9.487   7.656  1.00 19.24           C
ATOM    149  C   THR A   9       7.927  10.202   7.761  1.00 19.48           C
ATOM    150  O   THR A   9       7.749  11.125   8.554  1.00 23.14           O
ATOM    151  CB  THR A   9       9.955  10.145   6.520  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.424   9.786   5.253  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.454   9.829   6.661  1.00 19.70           C
ATOM      0  H   THR A   9       9.197   7.790   6.527  1.00 18.33           H   new
ATOM      0  HA  THR A   9       9.865   9.544   8.540  1.00 19.24           H   new
ATOM      0  HB  THR A   9       9.814  11.225   6.572  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       9.928  10.241   4.546  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      12.003  10.298   5.844  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      11.819  10.215   7.613  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.603   8.750   6.626  1.00 19.70           H   new
ATOM    161  N   GLY A  10       6.916   9.875   6.937  1.00 19.43           N
ATOM    162  CA  GLY A  10       5.597  10.413   7.062  1.00 18.74           C
ATOM    163  C   GLY A  10       5.168  11.350   5.986  1.00 17.62           C
ATOM    164  O   GLY A  10       5.047  12.554   6.207  1.00 19.74           O
ATOM      0  H   GLY A  10       7.018   9.219   6.163  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       4.890   9.584   7.097  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       5.527  10.933   8.018  1.00 18.74           H   new
ATOM    168  N   LYS A  11       4.913  10.779   4.795  1.00 13.56           N
ATOM    169  CA  LYS A  11       4.132  11.388   3.763  1.00 11.91           C
ATOM    170  C   LYS A  11       3.010  10.482   3.389  1.00 10.18           C
ATOM    171  O   LYS A  11       3.286   9.286   3.304  1.00  9.10           O
ATOM    172  CB  LYS A  11       5.058  11.689   2.573  1.00 13.43           C
ATOM    173  CG  LYS A  11       4.436  12.626   1.536  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.255  12.775   0.253  1.00 17.92           C
ATOM    175  CE  LYS A  11       5.248  11.465  -0.538  1.00 20.81           C
ATOM    176  NZ  LYS A  11       6.138  11.629  -1.708  1.00 21.93           N
ATOM      0  H   LYS A  11       5.265   9.856   4.541  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       3.690  12.325   4.102  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       5.981  12.133   2.945  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.329  10.751   2.087  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       3.443  12.257   1.279  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       4.304  13.610   1.985  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       4.843  13.578  -0.358  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       6.280  13.054   0.498  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       5.590  10.641   0.088  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       4.236  11.221  -0.861  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       6.447  10.694  -2.043  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       5.624  12.117  -2.469  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       6.969  12.192  -1.436  1.00 21.93           H   new
ATOM    190  N   THR A  12       1.795  11.047   3.280  1.00  9.63           N
ATOM    191  CA  THR A  12       0.574  10.317   3.132  1.00  9.85           C
ATOM    192  C   THR A  12       0.253  10.182   1.683  1.00 11.66           C
ATOM    193  O   THR A  12      -0.176  11.087   0.969  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.641  10.839   3.841  1.00 10.85           C
ATOM    195  OG1 THR A  12      -0.394  10.884   5.239  1.00 10.91           O
ATOM    196  CG2 THR A  12      -1.862   9.937   3.594  1.00  9.63           C
ATOM      0  H   THR A  12       1.657  12.058   3.296  1.00  9.63           H   new
ATOM      0  HA  THR A  12       0.786   9.367   3.622  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.851  11.836   3.453  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -1.188  11.227   5.701  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.726  10.342   4.121  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -2.075   9.897   2.526  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.652   8.932   3.960  1.00  9.63           H   new
ATOM    204  N   ILE A  13       0.455   8.985   1.104  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.154   8.756  -0.275  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.206   8.165  -0.415  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.697   7.189   0.150  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.216   7.880  -0.869  1.00 14.86           C
ATOM    209  CG1 ILE A  13       2.598   8.553  -0.933  1.00 14.87           C
ATOM    210  CG2 ILE A  13       0.824   7.470  -2.299  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.704   7.732  -0.273  1.00 16.46           C
ATOM      0  H   ILE A  13       0.829   8.172   1.594  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.147   9.700  -0.820  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.290   7.015  -0.210  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       2.860   8.729  -1.976  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       2.542   9.528  -0.449  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.602   6.834  -2.721  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -0.119   6.923  -2.275  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       0.710   8.362  -2.915  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       4.651   8.265  -0.355  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.464   7.578   0.779  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.787   6.766  -0.772  1.00 16.46           H   new
ATOM    223  N   THR A  14      -2.040   8.940  -1.131  1.00  9.39           N
ATOM    224  CA  THR A  14      -3.421   8.609  -1.301  1.00  9.63           C
ATOM    225  C   THR A  14      -3.689   7.915  -2.592  1.00 11.20           C
ATOM    226  O   THR A  14      -3.759   8.559  -3.637  1.00 11.63           O
ATOM    227  CB  THR A  14      -4.371   9.765  -1.187  1.00 10.38           C
ATOM    228  OG1 THR A  14      -3.979  10.793  -0.289  1.00 16.30           O
ATOM    229  CG2 THR A  14      -5.792   9.310  -0.814  1.00 11.66           C
ATOM      0  H   THR A  14      -1.755   9.802  -1.595  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -3.612   7.940  -0.462  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -4.352  10.194  -2.189  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -4.658  11.500  -0.285  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -6.445  10.179  -0.742  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -6.170   8.634  -1.581  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -5.769   8.794   0.146  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.883   6.584  -2.625  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.142   5.831  -3.812  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.607   5.738  -4.066  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.425   5.406  -3.210  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.615   4.386  -3.804  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.095   4.152  -3.778  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.332   5.265  -4.517  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.658   4.120  -2.304  1.00 15.88           C
ATOM      0  H   LEU A  15      -3.858   6.007  -1.784  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.608   6.383  -4.585  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.041   3.884  -2.935  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.011   3.885  -4.688  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.867   3.214  -4.284  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -0.262   5.062  -4.475  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.655   5.298  -5.558  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.538   6.224  -4.042  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.582   3.955  -2.247  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.905   5.070  -1.830  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.177   3.312  -1.788  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -5.993   6.075  -5.310  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.369   5.969  -5.682  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.518   4.674  -6.404  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.259   4.448  -7.585  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.800   7.121  -6.606  1.00 17.22           C
ATOM    261  CG  GLU A  16      -7.745   8.477  -5.898  1.00 23.33           C
ATOM    262  CD  GLU A  16      -7.646   9.639  -6.876  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -6.577   9.856  -7.507  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -8.670  10.323  -7.143  1.00 28.90           O
ATOM      0  H   GLU A  16      -5.369   6.413  -6.043  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -7.997   6.019  -4.793  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.153   7.144  -7.483  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -8.814   6.939  -6.963  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -8.636   8.599  -5.282  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -6.888   8.498  -5.225  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -7.860   3.625  -5.635  1.00  8.99           N
ATOM    272  CA  VAL A  17      -7.974   2.233  -5.944  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.408   1.859  -6.096  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.294   2.663  -5.810  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.379   1.367  -4.873  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.851   1.532  -4.927  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.874   1.716  -3.459  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.089   3.783  -4.654  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.428   2.070  -6.873  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.689   0.340  -5.065  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.391   0.912  -4.157  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.486   1.224  -5.907  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.592   2.577  -4.755  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.404   1.051  -2.734  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.613   2.749  -3.227  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.956   1.596  -3.412  1.00 10.54           H   new
ATOM    287  N   GLU A  18      -9.675   0.606  -6.505  1.00  7.29           N
ATOM    288  CA  GLU A  18     -10.966   0.007  -6.365  1.00  7.08           C
ATOM    289  C   GLU A  18     -10.778  -1.128  -5.419  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.671  -1.653  -5.525  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.288  -0.718  -7.682  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.309   0.283  -8.840  1.00 12.65           C
ATOM    293  CD  GLU A  18     -12.376   1.354  -8.666  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.592   1.129  -8.426  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -11.953   2.525  -8.860  1.00 18.17           O
ATOM      0  H   GLU A  18      -8.982  -0.002  -6.941  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.711   0.748  -6.075  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -10.544  -1.491  -7.872  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.254  -1.218  -7.605  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -10.332   0.759  -8.923  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.484  -0.251  -9.774  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.651  -1.449  -4.510  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.470  -2.531  -3.586  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.213  -3.908  -4.096  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.773  -4.842  -3.428  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.819  -2.594  -2.874  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.878  -2.025  -3.831  1.00  8.16           C
ATOM    308  CD  PRO A  19     -12.991  -0.897  -4.382  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.564  -2.303  -3.024  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.061  -3.622  -2.603  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.791  -2.018  -1.949  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.203  -2.734  -4.592  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.775  -1.667  -3.325  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.361  -0.549  -5.347  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -12.994  -0.038  -3.711  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.506  -4.087  -5.396  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.268  -5.277  -6.152  1.00  6.28           C
ATOM    318  C   SER A  20      -9.861  -5.356  -6.637  1.00  8.45           C
ATOM    319  O   SER A  20      -9.360  -6.365  -7.132  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.195  -5.514  -7.357  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.409  -4.319  -8.093  1.00 11.13           O
ATOM      0  H   SER A  20     -11.938  -3.351  -5.955  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.487  -6.060  -5.426  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -11.759  -6.271  -8.009  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.152  -5.905  -7.010  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.000  -4.504  -8.852  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.064  -4.278  -6.532  1.00  7.50           N
ATOM    328  CA  ASP A  21      -7.667  -4.311  -6.837  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.755  -4.984  -5.870  1.00  7.08           C
ATOM    330  O   ASP A  21      -6.964  -5.019  -4.659  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.037  -2.935  -7.117  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.617  -2.207  -8.321  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -7.540  -2.738  -9.461  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.010  -1.028  -8.114  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.397  -3.363  -6.228  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -7.726  -4.926  -7.735  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.161  -2.307  -6.235  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -5.965  -3.064  -7.269  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.752  -5.659  -6.459  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.873  -6.522  -5.733  1.00  6.01           C
ATOM    341  C   THR A  22      -3.690  -5.726  -5.300  1.00  8.01           C
ATOM    342  O   THR A  22      -3.260  -4.754  -5.918  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.428  -7.754  -6.464  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.950  -7.391  -7.751  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.510  -8.817  -6.712  1.00  9.65           C
ATOM      0  H   THR A  22      -5.548  -5.605  -7.457  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.445  -6.902  -4.886  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.676  -8.190  -5.807  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.657  -8.194  -8.230  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -5.075  -9.661  -7.247  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.909  -9.159  -5.757  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.314  -8.385  -7.308  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.090  -6.172  -4.181  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.936  -5.542  -3.617  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.745  -5.432  -4.504  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.084  -4.400  -4.405  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.650  -6.134  -2.269  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.861  -6.229  -1.326  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.494  -5.387  -1.582  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.294  -4.899  -0.711  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.413  -6.986  -3.658  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.190  -4.490  -3.491  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.364  -7.166  -2.472  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.702  -6.650  -1.877  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.625  -6.926  -0.522  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.303  -5.832  -0.606  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.403  -5.461  -2.197  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.762  -4.338  -1.456  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.154  -5.061  -0.061  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.472  -4.483  -0.128  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.566  -4.203  -1.504  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.562  -6.327  -5.491  1.00  9.54           N
ATOM    373  CA  GLU A  24       0.391  -6.132  -6.540  1.00 11.81           C
ATOM    374  C   GLU A  24       0.126  -4.973  -7.437  1.00 11.14           C
ATOM    375  O   GLU A  24       0.987  -4.162  -7.774  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.168  -7.368  -7.428  1.00 19.24           C
ATOM    377  CG  GLU A  24       1.155  -7.446  -8.594  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.707  -8.583  -9.502  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -0.225  -8.506 -10.347  1.00 36.51           O
ATOM    380  OE2 GLU A  24       1.378  -9.649  -9.493  1.00 34.80           O
ATOM      0  H   GLU A  24      -1.084  -7.200  -5.562  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       1.374  -5.971  -6.097  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       0.259  -8.268  -6.820  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -0.849  -7.350  -7.819  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       1.175  -6.504  -9.142  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       2.166  -7.624  -8.228  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.117  -4.759  -7.906  1.00  9.43           N
ATOM    388  CA  ASN A  25      -1.446  -3.658  -8.757  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.471  -2.353  -8.039  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.251  -1.261  -8.562  1.00  9.33           O
ATOM    391  CB  ASN A  25      -2.759  -3.879  -9.527  1.00 16.78           C
ATOM    392  CG  ASN A  25      -2.503  -4.850 -10.671  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -2.306  -4.374 -11.788  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -2.668  -6.174 -10.408  1.00 24.70           N
ATOM      0  H   ASN A  25      -1.909  -5.364  -7.689  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -0.637  -3.610  -9.486  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.525  -4.276  -8.860  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.133  -2.931  -9.914  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -2.632  -6.853 -11.168  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -2.828  -6.488  -9.451  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -1.794  -2.380  -6.734  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.838  -1.234  -5.880  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.439  -0.741  -5.739  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.215   0.444  -5.981  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.562  -1.595  -4.616  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.333  -0.606  -3.461  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -4.021  -1.837  -5.037  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.037  -3.245  -6.250  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.411  -0.397  -6.280  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -2.165  -2.502  -4.160  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.889  -0.936  -2.584  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.270  -0.565  -3.223  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.677   0.385  -3.757  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.612  -2.106  -4.162  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.426  -0.929  -5.483  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.060  -2.648  -5.765  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.528  -1.636  -5.472  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.935  -1.380  -5.478  1.00  4.14           C
ATOM    419  C   LYS A  27       2.484  -0.915  -6.783  1.00  5.58           C
ATOM    420  O   LYS A  27       3.572  -0.343  -6.822  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.677  -2.634  -4.985  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.622  -2.886  -3.477  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.467  -4.058  -2.975  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.099  -5.426  -3.555  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.267  -6.331  -3.480  1.00 15.47           N
ATOM      0  H   LYS A  27       0.311  -2.604  -5.236  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.099  -0.542  -4.801  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.263  -3.503  -5.496  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.722  -2.557  -5.284  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.945  -1.981  -2.963  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.584  -3.061  -3.193  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.513  -3.854  -3.204  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       3.382  -4.107  -1.889  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       2.261  -5.852  -3.003  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       2.777  -5.318  -4.591  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       3.967  -7.255  -3.110  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       4.673  -6.453  -4.430  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.984  -5.921  -2.847  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.809  -1.092  -7.933  1.00  6.61           N
ATOM    440  CA  ALA A  28       2.177  -0.492  -9.178  1.00  7.74           C
ATOM    441  C   ALA A  28       1.729   0.926  -9.273  1.00  9.17           C
ATOM    442  O   ALA A  28       2.312   1.773  -9.948  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.695  -1.282 -10.407  1.00  7.68           C
ATOM      0  H   ALA A  28       0.975  -1.675  -7.998  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       3.267  -0.515  -9.188  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       2.010  -0.769 -11.316  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       2.126  -2.283 -10.388  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       0.608  -1.355 -10.389  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.692   1.373  -8.543  1.00  8.96           N
ATOM    450  CA  LYS A  29       0.169   2.703  -8.510  1.00  7.90           C
ATOM    451  C   LYS A  29       1.063   3.519  -7.641  1.00  6.92           C
ATOM    452  O   LYS A  29       1.327   4.656  -8.029  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.253   2.892  -7.954  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.231   2.190  -8.898  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.625   2.807  -8.764  1.00 19.69           C
ATOM    456  CE  LYS A  29      -4.445   2.550 -10.029  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.748   3.246  -9.943  1.00 24.98           N
ATOM      0  H   LYS A  29       0.176   0.748  -7.923  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       0.122   2.999  -9.558  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.327   2.474  -6.950  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.493   3.952  -7.877  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -1.883   2.279  -9.927  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.272   1.126  -8.666  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.136   2.383  -7.899  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.540   3.880  -8.590  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -3.896   2.897 -10.904  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -4.604   1.479 -10.157  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -6.504   2.610 -10.269  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.930   3.522  -8.957  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -5.728   4.096 -10.543  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.594   2.907  -6.568  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.550   3.500  -5.684  1.00  5.58           C
ATOM    473  C   ILE A  30       3.856   3.655  -6.383  1.00  7.26           C
ATOM    474  O   ILE A  30       4.461   4.720  -6.265  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.763   2.615  -4.492  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.448   2.486  -3.705  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.882   3.046  -3.528  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.470   1.394  -2.636  1.00  2.00           C
ATOM      0  H   ILE A  30       1.345   1.954  -6.304  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       2.171   4.472  -5.368  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.090   1.662  -4.908  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.225   3.441  -3.230  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.637   2.281  -4.403  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       3.947   2.335  -2.704  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.832   3.071  -4.061  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.661   4.038  -3.134  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.508   1.365  -2.125  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.660   0.429  -3.106  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.258   1.608  -1.914  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.290   2.717  -7.244  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.249   2.929  -8.283  1.00  8.67           C
ATOM    492  C   GLN A  31       4.910   4.038  -9.219  1.00 10.90           C
ATOM    493  O   GLN A  31       5.732   4.943  -9.352  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.585   1.671  -9.102  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.797   1.797 -10.027  1.00 10.76           C
ATOM    496  CD  GLN A  31       7.286   0.557 -10.762  1.00 13.78           C
ATOM    497  OE1 GLN A  31       6.262  -0.290 -11.050  1.00 14.48           O   flip
ATOM    498  NE2 GLN A  31       8.472   0.456 -11.072  1.00 14.76           N   flip
ATOM      0  H   GLN A  31       3.951   1.755  -7.212  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.135   3.218  -7.718  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.759   0.845  -8.413  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.715   1.406  -9.704  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.565   2.555 -10.775  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.628   2.179  -9.434  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       9.137   1.174 -10.785  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       8.790  -0.346 -11.616  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.734   4.119  -9.868  1.00 10.93           N
ATOM    508  CA  ASP A  32       3.482   5.206 -10.761  1.00 14.01           C
ATOM    509  C   ASP A  32       3.421   6.567 -10.158  1.00 14.04           C
ATOM    510  O   ASP A  32       3.912   7.524 -10.754  1.00 13.39           O
ATOM    511  CB  ASP A  32       2.154   4.915 -11.482  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.911   5.659 -12.787  1.00 24.33           C
ATOM    513  OD1 ASP A  32       2.660   5.289 -13.730  1.00 25.17           O
ATOM    514  OD2 ASP A  32       0.978   6.497 -12.909  1.00 26.29           O
ATOM      0  H   ASP A  32       2.972   3.447  -9.777  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       4.345   5.249 -11.426  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       2.104   3.845 -11.685  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       1.337   5.149 -10.799  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.989   6.690  -8.890  1.00 14.22           N
ATOM    520  CA  LYS A  33       3.079   7.855  -8.065  1.00 14.00           C
ATOM    521  C   LYS A  33       4.476   8.305  -7.808  1.00 12.37           C
ATOM    522  O   LYS A  33       4.962   9.389  -8.127  1.00 12.17           O
ATOM    523  CB  LYS A  33       2.292   7.636  -6.762  1.00 18.62           C
ATOM    524  CG  LYS A  33       0.764   7.662  -6.830  1.00 24.00           C
ATOM    525  CD  LYS A  33       0.167   8.484  -5.686  1.00 27.61           C
ATOM    526  CE  LYS A  33      -1.332   8.774  -5.787  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -1.837   9.400  -7.030  1.00 30.06           N
ATOM      0  H   LYS A  33       2.542   5.912  -8.405  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.624   8.676  -8.620  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       2.591   6.672  -6.350  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       2.607   8.399  -6.050  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       0.448   8.082  -7.785  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       0.379   6.643  -6.787  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       0.354   7.958  -4.750  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       0.699   9.434  -5.630  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -1.864   7.833  -5.647  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -1.604   9.421  -4.953  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -2.865   9.537  -6.957  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -1.374  10.321  -7.168  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -1.627   8.782  -7.840  1.00 30.06           H   new
ATOM    541  N   GLU A  34       5.207   7.461  -7.058  1.00 10.11           N
ATOM    542  CA  GLU A  34       6.392   7.825  -6.346  1.00 10.07           C
ATOM    543  C   GLU A  34       7.642   7.526  -7.099  1.00  9.32           C
ATOM    544  O   GLU A  34       8.466   8.399  -7.369  1.00 11.61           O
ATOM    545  CB  GLU A  34       6.550   7.033  -5.036  1.00 14.77           C
ATOM    546  CG  GLU A  34       5.499   7.327  -3.964  1.00 18.75           C
ATOM    547  CD  GLU A  34       5.648   8.758  -3.467  1.00 22.28           C
ATOM    548  OE1 GLU A  34       6.665   9.123  -2.818  1.00 21.95           O
ATOM    549  OE2 GLU A  34       4.812   9.664  -3.724  1.00 25.19           O
ATOM      0  H   GLU A  34       4.960   6.478  -6.943  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       6.267   8.895  -6.178  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       6.520   5.968  -5.268  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.536   7.241  -4.621  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       4.500   7.177  -4.372  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       5.611   6.631  -3.133  1.00 18.75           H   new
ATOM    556  N   GLY A  35       7.682   6.283  -7.610  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.868   5.772  -8.226  1.00  6.29           C
ATOM    558  C   GLY A  35       9.489   4.630  -7.497  1.00  6.93           C
ATOM    559  O   GLY A  35      10.665   4.344  -7.711  1.00  7.41           O
ATOM      0  H   GLY A  35       6.896   5.633  -7.597  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       8.629   5.454  -9.241  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       9.598   6.577  -8.307  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.752   4.054  -6.530  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.212   2.999  -5.682  1.00  6.07           C
ATOM    565  C   ILE A  36       8.734   1.709  -6.256  1.00  6.36           C
ATOM    566  O   ILE A  36       7.525   1.492  -6.310  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.797   3.112  -4.245  1.00  7.47           C
ATOM    568  CG1 ILE A  36       9.166   4.497  -3.688  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.284   1.948  -3.366  1.00  7.36           C
ATOM    570  CD1 ILE A  36       8.581   4.844  -2.319  1.00  9.49           C
ATOM      0  H   ILE A  36       7.792   4.337  -6.331  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.300   3.061  -5.658  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.711   3.023  -4.213  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36      10.252   4.564  -3.625  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.841   5.253  -4.403  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.945   2.100  -2.341  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.879   1.010  -3.747  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.373   1.908  -3.386  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       8.907   5.842  -2.026  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       7.493   4.819  -2.371  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       8.926   4.119  -1.582  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.493   0.779  -6.757  1.00  8.65           N
ATOM    583  CA  PRO A  37       8.994  -0.349  -7.487  1.00  9.18           C
ATOM    584  C   PRO A  37       8.421  -1.349  -6.542  1.00  9.85           C
ATOM    585  O   PRO A  37       8.679  -1.270  -5.342  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.267  -0.930  -8.100  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.417   0.076  -7.934  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.936   0.675  -6.603  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.219  -0.092  -8.209  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.520  -1.873  -7.615  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.109  -1.148  -9.156  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      12.397  -0.396  -7.865  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      11.471   0.806  -8.741  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.201   0.036  -5.760  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.388   1.650  -6.419  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.641  -2.308  -6.942  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.865  -3.100  -6.032  1.00  9.08           C
ATOM    598  C   PRO A  38       7.528  -3.963  -5.014  1.00  9.28           C
ATOM    599  O   PRO A  38       6.901  -4.262  -3.999  1.00  6.50           O
ATOM    600  CB  PRO A  38       5.866  -3.890  -6.874  1.00 10.31           C
ATOM    601  CG  PRO A  38       5.705  -3.007  -8.121  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.105  -2.395  -8.291  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.420  -2.369  -5.357  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.243  -4.881  -7.125  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       4.919  -4.032  -6.353  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       5.410  -3.590  -8.994  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       4.944  -2.240  -7.978  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.734  -3.018  -8.927  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       7.052  -1.412  -8.760  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.725  -4.479  -5.347  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.374  -5.345  -4.413  1.00 14.96           C
ATOM    612  C   ASP A  39      10.393  -4.612  -3.610  1.00 13.99           C
ATOM    613  O   ASP A  39      11.169  -5.285  -2.934  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.055  -6.532  -5.117  1.00 24.16           C
ATOM    615  CG  ASP A  39       9.127  -7.270  -6.071  1.00 31.06           C
ATOM    616  OD1 ASP A  39       8.028  -7.760  -5.696  1.00 35.55           O
ATOM    617  OD2 ASP A  39       9.541  -7.340  -7.259  1.00 34.22           O
ATOM      0  H   ASP A  39       9.224  -4.308  -6.220  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.595  -5.723  -3.751  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.922  -6.171  -5.670  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      10.424  -7.230  -4.365  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.515  -3.273  -3.651  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.087  -2.482  -2.606  1.00 10.76           C
ATOM    624  C   GLN A  40      10.130  -2.267  -1.485  1.00  8.01           C
ATOM    625  O   GLN A  40      10.529  -2.095  -0.334  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.512  -1.143  -3.231  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.348  -0.193  -2.372  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.583  -0.699  -1.639  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.612  -0.792  -0.413  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.549  -1.246  -2.425  1.00 18.16           N
ATOM      0  H   GLN A  40      10.201  -2.718  -4.447  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.944  -2.999  -2.175  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.076  -1.360  -4.138  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      10.609  -0.613  -3.536  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.669   0.625  -3.017  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      11.681   0.234  -1.623  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.496  -1.151  -3.439  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.327  -1.751  -2.000  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.813  -2.347  -1.745  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.787  -2.081  -0.786  1.00  3.87           C
ATOM    641  C   GLN A  41       7.329  -3.117   0.182  1.00  4.79           C
ATOM    642  O   GLN A  41       7.289  -4.273  -0.237  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.530  -1.717  -1.593  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.768  -0.541  -2.542  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.540  -0.132  -3.343  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.459   0.062  -2.790  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.644   0.099  -4.679  1.00  7.13           N
ATOM      0  H   GLN A  41       8.448  -2.608  -2.661  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.260  -1.332  -0.151  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.206  -2.585  -2.168  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.720  -1.469  -0.907  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.113   0.316  -1.963  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.569  -0.802  -3.233  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.532  -0.056  -5.156  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.834   0.427  -5.204  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.958  -2.790   1.433  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.546  -3.774   2.385  1.00  6.97           C
ATOM    658  C   ARG A  42       5.344  -3.172   3.027  1.00  7.15           C
ATOM    659  O   ARG A  42       5.449  -2.200   3.773  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.594  -4.028   3.482  1.00 13.23           C
ATOM    661  CG  ARG A  42       7.378  -5.253   4.372  1.00 21.27           C
ATOM    662  CD  ARG A  42       8.584  -5.648   5.227  1.00 26.14           C
ATOM    663  NE  ARG A  42       9.475  -6.539   4.432  1.00 32.26           N
ATOM    664  CZ  ARG A  42      10.779  -6.690   4.809  1.00 34.32           C
ATOM    665  NH1 ARG A  42      11.343  -6.009   5.849  1.00 35.30           N
ATOM    666  NH2 ARG A  42      11.584  -7.584   4.166  1.00 36.39           N
ATOM      0  H   ARG A  42       6.944  -1.834   1.788  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       6.378  -4.731   1.891  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.569  -4.123   3.005  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.637  -3.147   4.122  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       6.531  -5.061   5.031  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       7.105  -6.099   3.741  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       9.128  -4.758   5.544  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       8.253  -6.158   6.132  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       9.115  -7.031   3.614  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.784  -5.348   6.388  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      12.323  -6.161   6.087  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42      11.213  -8.144   3.399  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42      12.557  -7.692   4.452  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.172  -3.774   2.754  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.981  -3.172   3.268  1.00  3.51           C
ATOM    682  C   LEU A  43       2.464  -3.764   4.534  1.00  5.56           C
ATOM    683  O   LEU A  43       2.161  -4.954   4.594  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.980  -3.309   2.109  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.144  -2.352   0.916  1.00  6.32           C
ATOM    686  CD1 LEU A  43       1.062  -2.695  -0.122  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.987  -0.875   1.316  1.00  9.55           C
ATOM      0  H   LEU A  43       4.049  -4.628   2.210  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.169  -2.141   3.568  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       2.038  -4.330   1.732  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.976  -3.175   2.513  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       3.151  -2.479   0.518  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.157  -2.029  -0.980  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.186  -3.728  -0.449  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.076  -2.572   0.326  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.112  -0.244   0.436  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.995  -0.716   1.738  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.743  -0.617   2.058  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.356  -2.964   5.610  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.817  -3.290   6.893  1.00  5.55           C
ATOM    701  C   ILE A  44       0.420  -2.782   7.001  1.00  5.46           C
ATOM    702  O   ILE A  44      -0.033  -1.717   6.584  1.00  6.04           O
ATOM    703  CB  ILE A  44       2.756  -2.858   7.980  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.212  -3.266   7.698  1.00 10.31           C
ATOM    705  CG2 ILE A  44       2.223  -3.366   9.330  1.00  7.39           C
ATOM    706  CD1 ILE A  44       4.406  -4.782   7.683  1.00 13.90           C
ATOM      0  H   ILE A  44       2.678  -1.997   5.575  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       1.734  -4.369   7.020  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       2.788  -1.769   8.017  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       4.521  -2.855   6.737  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.861  -2.828   8.456  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       2.899  -3.057  10.127  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       1.233  -2.948   9.511  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       2.159  -4.454   9.310  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       5.452  -5.013   7.479  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       4.125  -5.194   8.652  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       3.780  -5.221   6.907  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -0.495  -3.634   7.498  1.00  6.75           N
ATOM    719  CA  PHE A  45      -1.715  -3.166   8.079  1.00  4.70           C
ATOM    720  C   PHE A  45      -1.770  -3.772   9.440  1.00  6.34           C
ATOM    721  O   PHE A  45      -1.885  -4.986   9.598  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.947  -3.597   7.265  1.00  5.51           C
ATOM    723  CG  PHE A  45      -4.105  -2.693   7.509  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -4.204  -1.398   7.057  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -5.201  -3.185   8.178  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -5.285  -0.592   7.325  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -6.312  -2.428   8.467  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -6.329  -1.119   8.048  1.00  6.84           C
ATOM      0  H   PHE A  45      -0.389  -4.649   7.497  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -1.731  -2.076   8.103  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.701  -3.597   6.203  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -3.220  -4.619   7.529  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -3.396  -0.996   6.464  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -5.189  -4.218   8.492  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -5.313   0.430   6.976  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -7.147  -2.850   9.007  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -7.176  -0.494   8.291  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -1.707  -2.889  10.452  1.00  6.53           N
ATOM    739  CA  ALA A  46      -1.546  -3.065  11.862  1.00  7.15           C
ATOM    740  C   ALA A  46      -0.196  -3.634  12.133  1.00  9.00           C
ATOM    741  O   ALA A  46       0.702  -2.846  12.427  1.00 11.15           O
ATOM    742  CB  ALA A  46      -2.713  -3.778  12.564  1.00  8.99           C
ATOM      0  H   ALA A  46      -1.782  -1.894  10.239  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -1.593  -2.084  12.334  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -2.499  -3.865  13.629  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -3.628  -3.203  12.424  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -2.841  -4.773  12.138  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -0.045  -4.968  12.058  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.163  -5.730  12.126  1.00 11.68           C
ATOM    750  C   GLY A  47       1.194  -6.833  11.124  1.00 11.14           C
ATOM    751  O   GLY A  47       2.012  -7.734  11.303  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.857  -5.574  11.937  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.015  -5.070  11.963  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.270  -6.148  13.127  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.247  -6.967  10.179  1.00 10.47           N
ATOM    756  CA  LYS A  48       0.220  -8.038   9.231  1.00  8.82           C
ATOM    757  C   LYS A  48       0.805  -7.550   7.950  1.00  7.68           C
ATOM    758  O   LYS A  48       0.712  -6.390   7.552  1.00  6.47           O
ATOM    759  CB  LYS A  48      -1.284  -8.257   8.997  1.00  9.74           C
ATOM    760  CG  LYS A  48      -1.710  -9.387   8.057  1.00 14.14           C
ATOM    761  CD  LYS A  48      -3.219  -9.424   7.806  1.00 16.32           C
ATOM    762  CE  LYS A  48      -4.049  -9.686   9.064  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.844 -11.087   9.494  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.525  -6.309  10.071  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       0.759  -8.926   9.563  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -1.750  -8.436   9.966  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -1.700  -7.327   8.610  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.192  -9.274   7.105  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -1.395 -10.341   8.480  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -3.528  -8.474   7.369  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -3.437 -10.199   7.071  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -3.754  -9.001   9.859  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -5.105  -9.505   8.863  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -4.481 -11.304  10.287  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.049 -11.727   8.700  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -2.858 -11.216   9.797  1.00 23.92           H   new
ATOM    777  N   GLN A  49       1.639  -8.399   7.323  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.259  -8.021   6.091  1.00  7.18           C
ATOM    779  C   GLN A  49       1.437  -8.589   4.986  1.00  8.23           C
ATOM    780  O   GLN A  49       1.016  -9.745   5.012  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.689  -8.546   5.873  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.431  -8.149   4.596  1.00 15.82           C
ATOM    783  CD  GLN A  49       5.871  -8.641   4.589  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.743  -8.240   5.358  1.00 23.23           O
ATOM    785  NE2 GLN A  49       6.242  -9.602   3.701  1.00 20.67           N
ATOM      0  H   GLN A  49       1.881  -9.330   7.661  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.321  -6.933   6.115  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       4.293  -8.221   6.720  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.650  -9.635   5.908  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       3.906  -8.556   3.732  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.419  -7.064   4.494  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       5.562  -9.974   3.038  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.200  -9.951   3.698  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.091  -7.668   4.069  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.050  -7.956   3.133  1.00  7.41           C
ATOM    796  C   LEU A  50       0.677  -8.720   2.017  1.00  8.27           C
ATOM    797  O   LEU A  50       1.822  -8.486   1.633  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.542  -6.648   2.582  1.00  7.13           C
ATOM    799  CG  LEU A  50      -1.299  -5.840   3.650  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.678  -4.486   3.027  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -2.639  -6.431   4.119  1.00  8.14           C
ATOM      0  H   LEU A  50       1.519  -6.747   3.976  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.752  -8.522   3.607  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.261  -6.036   2.171  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.219  -6.879   1.760  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -0.625  -5.809   4.506  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.218  -3.887   3.760  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.773  -3.959   2.723  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.312  -4.651   2.156  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -3.082  -5.778   4.871  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.316  -6.517   3.269  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -2.470  -7.418   4.550  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.114  -9.574   1.344  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.180 -10.405   0.218  1.00 11.90           C
ATOM    815  C   GLU A  51      -0.232  -9.909  -1.125  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.338  -9.387  -1.253  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.286 -11.868   0.316  1.00 16.56           C
ATOM    818  CG  GLU A  51       0.439 -12.561   1.471  1.00 26.06           C
ATOM    819  CD  GLU A  51      -0.020 -14.011   1.548  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -1.107 -14.316   2.106  1.00 33.44           O
ATOM    821  OE2 GLU A  51       0.673 -14.886   0.964  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.086  -9.694   1.631  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.267 -10.354   0.288  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.364 -11.907   0.474  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -0.082 -12.389  -0.620  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.517 -12.515   1.320  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       0.227 -12.049   2.410  1.00 26.06           H   new
ATOM    828  N   ASP A  52       0.613 -10.143  -2.145  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.409  -9.557  -3.434  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.816  -9.837  -4.234  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.368  -8.926  -4.848  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.595  -9.744  -4.395  1.00 21.05           C
ATOM    833  CG  ASP A  52       2.888  -9.642  -3.598  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.024  -8.602  -2.900  1.00 25.82           O
ATOM    835  OD2 ASP A  52       3.714 -10.593  -3.576  1.00 28.37           O
ATOM      0  H   ASP A  52       1.438 -10.739  -2.077  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.280  -8.540  -3.065  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       1.531 -10.713  -4.890  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.572  -8.985  -5.177  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -1.253 -11.107  -4.307  1.00 15.00           N
ATOM    841  CA  GLY A  53      -2.373 -11.555  -5.074  1.00 11.77           C
ATOM    842  C   GLY A  53      -3.541 -11.794  -4.180  1.00 11.10           C
ATOM    843  O   GLY A  53      -4.397 -12.632  -4.459  1.00 11.25           O
ATOM      0  H   GLY A  53      -0.797 -11.865  -3.800  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -2.628 -10.811  -5.828  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -2.117 -12.472  -5.605  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.669 -10.955  -3.136  1.00  8.53           N
ATOM    848  CA  ARG A  54      -4.927 -10.830  -2.468  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.496  -9.455  -2.558  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.790  -8.505  -2.892  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.949 -11.323  -1.011  1.00  7.97           C
ATOM    852  CG  ARG A  54      -4.422 -12.745  -0.810  1.00  9.62           C
ATOM    853  CD  ARG A  54      -4.076 -13.103   0.637  1.00 12.20           C
ATOM    854  NE  ARG A  54      -3.509 -14.475   0.771  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -4.239 -15.559   0.379  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -5.591 -15.575   0.193  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -3.518 -16.709   0.233  1.00 25.50           N
ATOM      0  H   ARG A  54      -2.919 -10.375  -2.761  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.569 -11.513  -3.025  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -4.356 -10.641  -0.402  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -5.973 -11.274  -0.640  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -5.170 -13.449  -1.175  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -3.532 -12.878  -1.425  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.359 -12.379   1.025  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.973 -13.024   1.251  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -2.573 -14.604   1.156  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -6.137 -14.728   0.349  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -6.055 -16.434  -0.102  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -2.514 -16.708   0.414  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -3.983 -17.569  -0.057  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.816  -9.248  -2.406  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.405  -7.978  -2.697  1.00  9.03           C
ATOM    873  C   THR A  55      -7.689  -7.163  -1.483  1.00  8.15           C
ATOM    874  O   THR A  55      -7.732  -7.578  -0.326  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.703  -8.099  -3.440  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.758  -8.781  -2.778  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.452  -8.799  -4.786  1.00 11.71           C
ATOM      0  H   THR A  55      -7.474  -9.957  -2.083  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.651  -7.484  -3.310  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.047  -7.070  -3.544  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -9.492  -9.709  -2.609  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.392  -8.889  -5.330  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -7.747  -8.213  -5.375  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.039  -9.792  -4.608  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.951  -5.852  -1.630  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.300  -5.014  -0.525  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.481  -5.458   0.268  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.560  -5.290   1.484  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.444  -3.524  -0.878  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.125  -2.913  -1.381  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.487  -1.646  -2.174  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.171  -2.638  -0.206  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.920  -5.367  -2.527  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.425  -5.130   0.115  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.211  -3.407  -1.643  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.784  -2.976   0.001  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.588  -3.601  -2.034  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.576  -1.180  -2.550  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.131  -1.913  -3.012  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.011  -0.946  -1.523  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.244  -2.206  -0.583  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.640  -1.941   0.488  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.952  -3.572   0.311  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.542  -5.917  -0.419  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.814  -6.377   0.043  1.00  9.00           C
ATOM    906  C   SER A  57     -11.768  -7.603   0.889  1.00  9.44           C
ATOM    907  O   SER A  57     -12.497  -7.799   1.860  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.813  -6.447  -1.124  1.00 10.32           C
ATOM    909  OG  SER A  57     -14.142  -6.564  -0.638  1.00 13.59           O
ATOM      0  H   SER A  57     -10.496  -5.970  -1.437  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.184  -5.631   0.746  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.723  -5.553  -1.741  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.577  -7.299  -1.761  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -14.764  -6.606  -1.394  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -10.813  -8.509   0.613  1.00  9.11           N
ATOM    916  CA  ASP A  58     -10.540  -9.753   1.263  1.00  7.91           C
ATOM    917  C   ASP A  58     -10.032  -9.445   2.629  1.00  9.12           C
ATOM    918  O   ASP A  58     -10.495 -10.060   3.588  1.00  8.61           O
ATOM    919  CB  ASP A  58      -9.573 -10.710   0.545  1.00  8.41           C
ATOM    920  CG  ASP A  58     -10.113 -11.142  -0.811  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -11.366 -11.201  -0.926  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -9.302 -11.358  -1.751  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.160  -8.348  -0.154  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -11.481 -10.303   1.268  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -8.608 -10.221   0.413  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -9.403 -11.589   1.166  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -9.037  -8.563   2.833  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.561  -8.262   4.147  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.460  -7.351   4.911  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.156  -7.157   6.087  1.00 12.95           O
ATOM    931  CB  TYR A  59      -7.253  -7.457   4.072  1.00  7.94           C
ATOM    932  CG  TYR A  59      -6.124  -8.329   3.642  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.938  -8.496   2.290  1.00  4.59           C
ATOM    934  CD2 TYR A  59      -5.247  -8.885   4.544  1.00  6.98           C
ATOM    935  CE1 TYR A  59      -4.768  -9.079   1.863  1.00  5.39           C
ATOM    936  CE2 TYR A  59      -4.109  -9.528   4.119  1.00  6.52           C
ATOM    937  CZ  TYR A  59      -3.904  -9.653   2.765  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.813 -10.333   2.183  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.561  -8.057   2.086  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.471  -9.236   4.627  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -7.368  -6.630   3.371  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -7.032  -7.021   5.046  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.690  -8.178   1.583  1.00  4.59           H   new
ATOM      0  HD2 TYR A  59      -5.456  -8.815   5.601  1.00  6.98           H   new
ATOM      0  HE1 TYR A  59      -4.526  -9.086   0.810  1.00  5.39           H   new
ATOM      0  HE2 TYR A  59      -3.397  -9.924   4.828  1.00  6.52           H   new
ATOM      0  HH  TYR A  59      -2.248 -10.710   2.889  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.575  -6.870   4.331  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.490  -5.859   4.762  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.756  -4.596   5.058  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.683  -4.136   6.197  1.00 14.26           O
ATOM    952  CB  ASN A  60     -12.436  -6.269   5.904  1.00 19.23           C
ATOM    953  CG  ASN A  60     -13.611  -5.303   5.865  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -13.947  -4.727   4.831  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -14.402  -5.303   6.972  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.871  -7.249   3.431  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.168  -5.694   3.924  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -12.775  -7.297   5.776  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.926  -6.220   6.866  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -15.299  -4.817   6.958  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -14.098  -5.789   7.816  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.237  -3.995   3.973  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.678  -2.682   3.890  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.618  -1.825   3.114  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.768  -1.991   1.905  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.305  -2.716   3.288  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.270  -3.484   4.128  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.765  -1.299   3.032  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.130  -3.932   3.216  1.00 11.42           C
ATOM      0  H   ILE A  61     -10.207  -4.474   3.073  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.555  -2.260   4.887  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.435  -3.252   2.348  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.887  -2.849   4.927  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -7.735  -4.348   4.603  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.768  -1.363   2.596  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.429  -0.775   2.345  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.714  -0.753   3.974  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.389  -4.478   3.801  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.524  -4.580   2.433  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.662  -3.058   2.763  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.368  -0.991   3.856  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.277  -0.054   3.270  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.677   1.281   2.991  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.457   1.416   3.058  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.533   0.021   4.154  1.00 19.53           C
ATOM    986  CG  GLN A  62     -14.118  -1.390   4.248  1.00 26.38           C
ATOM    987  CD  GLN A  62     -15.348  -1.367   5.143  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -16.037  -0.430   5.543  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -15.770  -2.628   5.430  1.00 32.71           N
ATOM      0  H   GLN A  62     -11.344  -0.966   4.875  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.552  -0.415   2.279  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -13.281   0.398   5.145  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -14.262   0.710   3.726  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -14.384  -1.753   3.255  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.374  -2.078   4.650  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -15.226  -3.432   5.116  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -16.630  -2.770   5.959  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.397   2.329   2.551  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.775   3.600   2.345  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.130   4.194   3.550  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.325   3.822   4.706  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.806   4.631   1.856  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.869   5.079   2.861  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.461   6.360   2.270  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.685   6.855   3.043  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -15.391   7.186   4.456  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.395   2.298   2.341  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.997   3.392   1.611  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.266   5.515   1.517  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.315   4.215   0.987  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.635   4.315   2.992  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.431   5.263   3.842  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -13.699   7.139   2.266  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -14.740   6.181   1.232  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.087   7.738   2.546  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.461   6.090   3.010  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -16.018   7.954   4.771  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -15.547   6.346   5.049  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -14.401   7.491   4.542  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.138   5.057   3.267  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -9.393   5.973   4.075  1.00 10.94           C
ATOM   1022  C   GLU A  64      -8.553   5.300   5.105  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.282   5.826   6.183  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -10.312   7.016   4.733  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -11.063   7.735   3.611  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.138   8.692   4.106  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.926   8.289   5.004  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -12.231   9.842   3.600  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.808   5.115   2.303  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.711   6.482   3.393  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.012   6.535   5.416  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -9.729   7.725   5.321  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -10.347   8.290   3.005  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -11.523   6.992   2.960  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.180   4.038   4.824  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.468   3.188   5.727  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.012   3.494   5.660  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.461   3.737   4.587  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.658   1.695   5.410  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.029   1.350   5.540  1.00 10.56           O
ATOM      0  H   SER A  65      -8.383   3.592   3.930  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.870   3.381   6.722  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.313   1.481   4.398  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.055   1.090   6.087  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -9.462   1.392   4.662  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.384   3.678   6.835  1.00  4.48           N
ATOM   1047  CA  THR A  66      -3.982   3.955   6.895  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.249   2.661   6.817  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.226   1.922   7.800  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.536   4.736   8.095  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.113   6.034   8.073  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -2.014   4.951   8.038  1.00  3.40           C
ATOM      0  H   THR A  66      -5.846   3.635   7.743  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -3.754   4.604   6.049  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.834   4.181   8.984  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -3.818   6.537   8.861  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.694   5.519   8.912  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.510   3.985   8.029  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -1.758   5.502   7.133  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.517   2.467   5.705  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.641   1.363   5.463  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.263   1.883   5.688  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.009   3.054   5.412  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.757   0.820   4.028  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.883  -0.160   3.658  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.229   0.576   3.766  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.727  -0.657   2.211  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.539   3.124   4.925  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.897   0.534   6.124  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.846   1.680   3.364  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.812   0.331   3.791  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.838  -1.013   4.336  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -5.039  -0.106   3.506  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.368   0.932   4.787  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.236   1.424   3.081  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.536  -1.349   1.975  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.765   0.192   1.529  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.770  -1.167   2.103  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.703   1.062   6.139  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.012   1.552   6.437  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.035   0.990   5.511  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.182  -0.231   5.461  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.425   1.387   7.910  1.00  5.57           C
ATOM   1084  CG  HIS A  68       1.463   2.028   8.866  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       0.326   1.376   9.298  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       1.395   3.279   9.395  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -0.378   2.258  10.057  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       0.278   3.395  10.196  1.00 16.30           N
ATOM      0  H   HIS A  68       0.578   0.062   6.297  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.961   2.628   6.271  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       2.505   0.325   8.142  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.415   1.820   8.054  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       2.111   4.067   9.214  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -1.347   2.055  10.489  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       0.014   4.192  10.775  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.699   1.836   4.704  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.825   1.524   3.879  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.096   1.607   4.652  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.470   2.564   5.329  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.957   2.471   2.674  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.075   2.193   1.655  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.793   0.876   0.912  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.133   3.329   0.620  1.00  6.87           C
ATOM      0  H   LEU A  69       3.426   2.815   4.623  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.652   0.509   3.523  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.008   2.464   2.138  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.099   3.481   3.058  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       7.022   2.124   2.191  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.589   0.687   0.192  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       5.749   0.056   1.629  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.840   0.951   0.388  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.927   3.126  -0.099  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       5.179   3.394   0.098  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.335   4.273   1.127  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.821   0.477   4.573  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.172   0.214   4.961  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.012  -0.198   3.801  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.675  -1.121   3.061  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.199  -0.806   6.060  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.610  -1.292   6.431  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.499  -0.261   7.316  1.00  8.54           C
ATOM      0  H   VAL A  70       6.396  -0.364   4.183  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.607   1.139   5.340  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       7.664  -1.671   5.668  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       9.542  -2.027   7.233  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70      10.079  -1.748   5.559  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70      10.210  -0.446   6.765  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.527  -1.014   8.104  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       8.011   0.640   7.656  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       6.462  -0.022   7.080  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.112   0.541   3.569  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.995   0.228   2.489  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.099  -0.606   3.041  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.553  -0.474   4.177  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.443   1.482   1.720  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.362   2.393   1.115  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      10.882   3.680   0.452  1.00 19.57           C
ATOM   1138  CD2 LEU A  71       9.338   1.634   0.255  1.00 17.51           C
ATOM      0  H   LEU A  71      10.389   1.350   4.125  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.486  -0.354   1.721  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.048   2.087   2.395  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.097   1.159   0.910  1.00 17.10           H   new
ATOM      0  HG  LEU A  71       9.815   2.757   1.985  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      10.042   4.251   0.057  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      11.414   4.280   1.190  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      11.559   3.422  -0.362  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       8.604   2.336  -0.141  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71       9.851   1.141  -0.571  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       8.832   0.887   0.866  1.00 17.51           H   new