USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  55 THR OG1 :   rot  -36:sc=    1.24
USER  MOD Set 1.2: A  57 SER OG  :   rot  180:sc=  0.0323
USER  MOD Set 2.1: A   7 THR OG1 :   rot  180:sc=   0.331
USER  MOD Set 2.2: A   9 THR OG1 :   rot  180:sc=    0.21
USER  MOD Single : A   1 MET CE  :methyl -120:sc=  -0.123   (180deg=-2.89!)
USER  MOD Single : A   1 MET N   :NH3+    153:sc=   0.888   (180deg=0.106)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=-0.24)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+    163:sc=   0.793   (180deg=0.255)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  -68:sc=   0.476
USER  MOD Single : A  20 SER OG  :   rot  -53:sc=   0.451
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=-0.00412  K(o=-0.0041,f=-1.7!)
USER  MOD Single : A  27 LYS NZ  :NH3+   -155:sc=    1.27   (180deg=1.02)
USER  MOD Single : A  29 LYS NZ  :NH3+    145:sc= -0.0662   (180deg=-0.349)
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.206  X(o=-0.21,f=-0.11)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=       0  X(o=0,f=-0.0047)
USER  MOD Single : A  41 GLN     :      amide:sc=  -0.681  K(o=-0.68,f=-1.5)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=   0.764  K(o=0.76,f=-6.1!)
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=       0
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=-0.0057)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  63 LYS NZ  :NH3+   -118:sc=    1.28   (180deg=-0.113)
USER  MOD Single : A  65 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc= -0.0631  X(o=-0.063,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.735   3.074  -3.142  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.489   3.881  -1.926  1.00 10.38           C
ATOM      3  C   MET A   1     -11.226   4.668  -1.995  1.00  9.62           C
ATOM      4  O   MET A   1     -10.412   4.391  -2.875  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.454   2.929  -0.719  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.577   1.710  -1.012  1.00 16.29           C
ATOM      7  SD  MET A   1     -11.650   0.553   0.388  1.00 17.17           S
ATOM      8  CE  MET A   1      -9.943  -0.067   0.411  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.314   2.245  -2.897  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -13.238   3.651  -3.846  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.827   2.758  -3.538  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.295   4.609  -1.831  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -12.071   3.456   0.155  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.466   2.604  -0.477  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.916   1.216  -1.923  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -10.547   2.023  -1.184  1.00 16.29           H   new
ATOM      0  HE1 MET A   1      -9.946  -1.147   0.263  1.00 16.11           H   new
ATOM      0  HE2 MET A   1      -9.373   0.407  -0.388  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.484   0.166   1.372  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.062   5.568  -1.008  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.788   6.128  -0.678  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.121   5.481   0.487  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.817   5.149   1.445  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.912   7.626  -0.352  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.971   7.984   0.693  1.00 17.01           C
ATOM     26  CD  GLN A   2     -10.958   9.479   0.976  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -9.926  10.141   1.077  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -12.176  10.082   1.025  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.828   5.913  -0.429  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.179   5.956  -1.565  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -8.944   7.986  -0.002  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2     -10.138   8.164  -1.273  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -11.957   7.684   0.338  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -10.783   7.432   1.614  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -13.025   9.524   0.940  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -12.240  11.093   1.147  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.788   5.306   0.459  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.016   4.775   1.539  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.905   5.733   1.797  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.494   6.459   0.892  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.480   3.381   1.394  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.602   3.283   0.135  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.605   2.335   1.469  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.062   1.877  -0.122  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.222   5.546  -0.355  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.709   4.670   2.374  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.831   3.149   2.238  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.183   3.604  -0.730  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -4.764   3.974   0.231  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.181   1.337   1.360  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.110   2.412   2.432  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.322   2.514   0.668  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.452   1.881  -1.025  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.454   1.560   0.725  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.895   1.185  -0.250  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.375   5.772   3.032  1.00  4.55           N
ATOM     57  CA  PHE A   4      -4.290   6.619   3.417  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.931   6.011   3.487  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.660   5.256   4.419  1.00  5.58           O
ATOM     60  CB  PHE A   4      -4.536   7.270   4.789  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.610   8.279   4.566  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.532   9.416   3.797  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -6.766   7.976   5.246  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -6.632  10.213   3.586  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -7.870   8.769   5.042  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -7.810   9.850   4.195  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.718   5.188   3.795  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -4.281   7.331   2.592  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.842   6.528   5.526  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.629   7.740   5.168  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.588   9.688   3.350  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -6.806   7.136   5.924  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -6.573  11.094   2.964  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -8.794   8.540   5.552  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -8.704  10.425   4.004  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -2.032   6.279   2.523  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.711   5.732   2.518  1.00  3.87           C
ATOM     78  C   VAL A   5       0.223   6.609   3.279  1.00  4.93           C
ATOM     79  O   VAL A   5       0.279   7.801   2.982  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.278   5.551   1.093  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.210   5.161   1.112  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.378   4.709   0.425  1.00  9.13           C
ATOM      0  H   VAL A   5      -2.228   6.889   1.730  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.701   4.762   3.015  1.00  3.87           H   new
ATOM      0  HB  VAL A   5      -0.232   6.411   0.425  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.562   5.020   0.090  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.788   5.953   1.589  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.336   4.233   1.670  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -1.122   4.540  -0.621  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.464   3.751   0.937  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.329   5.239   0.485  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.823   6.116   4.378  1.00  6.04           N
ATOM     93  CA  LYS A   6       1.821   6.719   5.205  1.00  6.12           C
ATOM     94  C   LYS A   6       3.182   6.314   4.755  1.00  6.57           C
ATOM     95  O   LYS A   6       3.520   5.161   4.490  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.627   6.283   6.667  1.00  7.45           C
ATOM     97  CG  LYS A   6       2.731   6.662   7.656  1.00 11.12           C
ATOM     98  CD  LYS A   6       2.499   6.115   9.066  1.00 14.54           C
ATOM     99  CE  LYS A   6       1.355   6.796   9.821  1.00 18.84           C
ATOM    100  NZ  LYS A   6       1.297   6.334  11.226  1.00 20.55           N
ATOM      0  H   LYS A   6       0.577   5.188   4.723  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       1.722   7.802   5.127  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.690   6.708   7.026  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       1.513   5.199   6.685  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       3.686   6.291   7.283  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       2.808   7.748   7.704  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       2.291   5.047   9.000  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       3.417   6.226   9.643  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       1.491   7.877   9.795  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       0.409   6.582   9.325  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       0.513   6.811  11.716  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       1.144   5.305  11.247  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       2.193   6.561  11.703  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.031   7.342   4.574  1.00  7.41           N
ATOM    115  CA  THR A   7       5.387   7.112   4.184  1.00  7.48           C
ATOM    116  C   THR A   7       6.237   7.159   5.408  1.00  8.75           C
ATOM    117  O   THR A   7       5.778   7.522   6.490  1.00  8.58           O
ATOM    118  CB  THR A   7       5.948   7.995   3.109  1.00  9.61           C
ATOM    119  OG1 THR A   7       5.938   9.365   3.483  1.00 11.78           O
ATOM    120  CG2 THR A   7       5.265   7.807   1.743  1.00  9.17           C
ATOM      0  H   THR A   7       3.781   8.323   4.696  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.393   6.130   3.710  1.00  7.48           H   new
ATOM      0  HB  THR A   7       6.984   7.676   2.993  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       6.313   9.905   2.756  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       5.720   8.476   1.013  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       5.387   6.775   1.414  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.203   8.036   1.833  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.516   6.769   5.261  1.00  9.84           N
ATOM    129  CA  LEU A   8       8.535   6.860   6.260  1.00 14.15           C
ATOM    130  C   LEU A   8       8.801   8.227   6.789  1.00 17.37           C
ATOM    131  O   LEU A   8       8.953   8.454   7.988  1.00 17.01           O
ATOM    132  CB  LEU A   8       9.844   6.151   5.874  1.00 16.63           C
ATOM    133  CG  LEU A   8      10.747   5.802   7.069  1.00 18.88           C
ATOM    134  CD1 LEU A   8      10.363   4.575   7.913  1.00 18.59           C
ATOM    135  CD2 LEU A   8      12.149   5.624   6.463  1.00 19.31           C
ATOM      0  H   LEU A   8       7.859   6.365   4.390  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.092   6.311   7.091  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       9.603   5.235   5.335  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.400   6.788   5.186  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      10.659   6.607   7.799  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      11.085   4.448   8.719  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       9.369   4.721   8.336  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      10.362   3.686   7.283  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      12.857   5.372   7.252  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      12.127   4.822   5.725  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      12.458   6.552   5.981  1.00 19.31           H   new
ATOM    147  N   THR A   9       8.988   9.188   5.866  1.00 18.33           N
ATOM    148  CA  THR A   9       9.404  10.516   6.195  1.00 19.24           C
ATOM    149  C   THR A   9       8.292  11.303   6.799  1.00 19.48           C
ATOM    150  O   THR A   9       8.131  11.496   8.003  1.00 23.14           O
ATOM    151  CB  THR A   9       9.985  11.233   5.012  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.100  11.031   3.920  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.339  10.725   4.489  1.00 19.70           C
ATOM      0  H   THR A   9       8.847   9.038   4.867  1.00 18.33           H   new
ATOM      0  HA  THR A   9      10.194  10.422   6.940  1.00 19.24           H   new
ATOM      0  HB  THR A   9      10.125  12.257   5.358  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       9.449  11.489   3.127  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      11.648  11.327   3.634  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.087  10.805   5.278  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.243   9.683   4.184  1.00 19.70           H   new
ATOM    161  N   GLY A  10       7.312  11.709   5.972  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.073  12.241   6.448  1.00 18.74           C
ATOM    163  C   GLY A  10       5.093  12.688   5.419  1.00 17.62           C
ATOM    164  O   GLY A  10       4.354  13.626   5.714  1.00 19.74           O
ATOM      0  H   GLY A  10       7.381  11.667   4.955  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       5.593  11.483   7.067  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       6.294  13.088   7.097  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.006  12.064   4.230  1.00 13.56           N
ATOM    169  CA  LYS A  11       3.882  12.365   3.398  1.00 11.91           C
ATOM    170  C   LYS A  11       2.716  11.525   3.791  1.00 10.18           C
ATOM    171  O   LYS A  11       2.782  10.393   4.266  1.00  9.10           O
ATOM    172  CB  LYS A  11       4.178  12.015   1.930  1.00 13.43           C
ATOM    173  CG  LYS A  11       5.239  12.896   1.267  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.511  12.459  -0.174  1.00 17.92           C
ATOM    175  CE  LYS A  11       4.477  12.900  -1.212  1.00 20.81           C
ATOM    176  NZ  LYS A  11       5.100  13.103  -2.539  1.00 21.93           N
ATOM      0  H   LYS A  11       5.673  11.388   3.859  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       3.674  13.429   3.514  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       4.502  10.976   1.876  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       3.253  12.090   1.358  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       4.909  13.935   1.277  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       6.163  12.850   1.843  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       6.485  12.846  -0.473  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       5.579  11.371  -0.197  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       3.691  12.148  -1.288  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       4.002  13.825  -0.885  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       4.361  13.116  -3.271  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       5.612  14.008  -2.547  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       5.765  12.327  -2.733  1.00 21.93           H   new
ATOM    190  N   THR A  12       1.533  12.079   3.468  1.00  9.63           N
ATOM    191  CA  THR A  12       0.344  11.286   3.437  1.00  9.85           C
ATOM    192  C   THR A  12      -0.073  11.210   2.009  1.00 11.66           C
ATOM    193  O   THR A  12      -0.468  12.218   1.426  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.724  11.941   4.261  1.00 10.85           C
ATOM    195  OG1 THR A  12      -0.249  12.164   5.581  1.00 10.91           O
ATOM    196  CG2 THR A  12      -2.081  11.223   4.343  1.00  9.63           C
ATOM      0  H   THR A  12       1.401  13.062   3.231  1.00  9.63           H   new
ATOM      0  HA  THR A  12       0.514  10.290   3.847  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.927  12.867   3.724  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.951  12.594   6.113  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.761  11.801   4.968  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -2.502  11.125   3.342  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.943  10.233   4.777  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -0.045  10.045   1.335  1.00 10.42           N
ATOM    205  CA  ILE A  13      -0.488   9.917  -0.018  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.838   9.293   0.072  1.00 10.55           C
ATOM    207  O   ILE A  13      -2.063   8.214   0.620  1.00 11.92           O
ATOM    208  CB  ILE A  13       0.354   8.993  -0.847  1.00 14.86           C
ATOM    209  CG1 ILE A  13       1.791   9.510  -1.030  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.259   8.732  -2.233  1.00 17.08           C
ATOM    211  CD1 ILE A  13       2.751   8.322  -1.073  1.00 16.46           C
ATOM      0  H   ILE A  13       0.294   9.173   1.741  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -0.452  10.899  -0.490  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       0.385   8.058  -0.288  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.868  10.088  -1.951  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       2.057  10.178  -0.211  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       0.387   8.058  -2.795  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.243   8.278  -2.116  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.356   9.675  -2.771  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       3.771   8.683  -1.203  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       2.680   7.763  -0.140  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       2.488   7.671  -1.907  1.00 16.46           H   new
ATOM    223  N   THR A  14      -2.832   9.899  -0.600  1.00  9.39           N
ATOM    224  CA  THR A  14      -4.185   9.488  -0.385  1.00  9.63           C
ATOM    225  C   THR A  14      -4.603   8.745  -1.607  1.00 11.20           C
ATOM    226  O   THR A  14      -4.521   9.274  -2.714  1.00 11.63           O
ATOM    227  CB  THR A  14      -5.135  10.634  -0.201  1.00 10.38           C
ATOM    228  OG1 THR A  14      -4.903  11.377   0.987  1.00 16.30           O
ATOM    229  CG2 THR A  14      -6.545  10.049  -0.014  1.00 11.66           C
ATOM      0  H   THR A  14      -2.707  10.654  -1.275  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -4.219   8.893   0.528  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -5.010  11.280  -1.070  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -5.131  10.828   1.766  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -7.260  10.860   0.123  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -6.818   9.469  -0.896  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -6.557   9.403   0.864  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -4.906   7.436  -1.542  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.816   6.624  -2.716  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.159   6.064  -3.034  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.815   5.441  -2.200  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.918   5.414  -2.407  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.185   4.847  -3.635  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.168   5.834  -4.233  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.386   3.573  -3.313  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.207   6.949  -0.698  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -4.429   7.228  -3.537  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.180   5.704  -1.659  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.528   4.626  -1.965  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -3.989   4.639  -4.341  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.683   5.378  -5.096  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.683   6.743  -4.544  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.417   6.081  -3.483  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.890   3.217  -4.216  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.639   3.795  -2.551  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -3.063   2.803  -2.943  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.693   6.261  -4.253  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.968   5.727  -4.622  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.917   4.423  -5.341  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.255   4.299  -6.370  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.537   6.833  -5.527  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.096   7.996  -4.706  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.867   9.091  -5.430  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -10.608   8.856  -6.422  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -9.783  10.254  -4.952  1.00 28.90           O
ATOM      0  H   GLU A  16      -6.236   6.796  -4.991  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.568   5.492  -3.743  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.755   7.199  -6.192  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.324   6.420  -6.157  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.752   7.578  -3.943  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -8.261   8.466  -4.186  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.551   3.409  -4.724  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.401   2.041  -5.113  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.746   1.409  -5.002  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.631   1.909  -4.310  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.470   1.255  -4.237  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.022   1.748  -4.394  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.803   1.411  -2.744  1.00 10.54           C
ATOM      0  H   VAL A  17      -9.183   3.544  -3.935  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.982   2.032  -6.119  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.585   0.217  -4.550  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.366   1.163  -3.749  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.709   1.632  -5.431  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.963   2.799  -4.113  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.102   0.824  -2.151  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.726   2.461  -2.462  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.818   1.059  -2.559  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.004   0.290  -5.702  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.197  -0.496  -5.648  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.155  -1.401  -4.465  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.077  -1.872  -4.107  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.517  -1.227  -6.963  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.434  -0.478  -8.294  1.00 12.65           C
ATOM    293  CD  GLU A  18     -12.182   0.847  -8.333  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.421   0.889  -8.106  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -11.545   1.872  -8.696  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.323  -0.094  -6.357  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.037   0.187  -5.521  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -10.845  -2.083  -7.030  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.529  -1.622  -6.876  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -10.385  -0.293  -8.525  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.825  -1.122  -9.081  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.258  -1.700  -3.846  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.208  -2.311  -2.550  1.00  7.07           C
ATOM    304  C   PRO A  19     -12.010  -3.787  -2.598  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.874  -4.390  -1.534  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.611  -2.057  -2.005  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.515  -2.216  -3.238  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.636  -1.465  -4.251  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.380  -1.910  -1.966  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.872  -2.770  -1.223  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.698  -1.061  -1.571  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.682  -3.258  -3.511  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.496  -1.760  -3.107  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.812  -1.829  -5.263  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.865  -0.399  -4.251  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.962  -4.461  -3.761  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.602  -5.844  -3.827  1.00  6.28           C
ATOM    318  C   SER A  20     -10.311  -6.061  -4.537  1.00  8.45           C
ATOM    319  O   SER A  20     -10.078  -7.195  -4.952  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.642  -6.698  -4.572  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.521  -8.048  -4.149  1.00 11.13           O
ATOM      0  H   SER A  20     -12.175  -4.042  -4.666  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.532  -6.147  -2.782  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -13.647  -6.329  -4.369  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -12.487  -6.626  -5.648  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -11.591  -8.341  -4.251  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.522  -5.035  -4.905  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.355  -5.189  -5.717  1.00  7.70           C
ATOM    329  C   ASP A  21      -7.067  -5.462  -5.020  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.097  -5.615  -3.800  1.00  8.11           O
ATOM    331  CB  ASP A  21      -8.348  -3.988  -6.678  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.373  -3.931  -7.845  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -6.706  -4.947  -8.178  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -7.381  -2.868  -8.522  1.00 14.36           O
ATOM      0  H   ASP A  21      -9.702  -4.070  -4.629  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -8.426  -6.129  -6.265  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -9.352  -3.905  -7.095  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -8.179  -3.096  -6.075  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.949  -5.671  -5.738  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.746  -6.187  -5.161  1.00  6.01           C
ATOM    341  C   THR A  22      -3.726  -5.218  -4.670  1.00  8.01           C
ATOM    342  O   THR A  22      -3.665  -4.077  -5.124  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.089  -7.235  -6.008  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.575  -6.796  -7.257  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.082  -8.386  -6.242  1.00  9.65           C
ATOM      0  H   THR A  22      -5.879  -5.478  -6.737  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.148  -6.632  -4.250  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.213  -7.550  -5.442  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.168  -7.553  -7.728  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -4.612  -9.153  -6.858  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.372  -8.817  -5.284  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -5.967  -8.005  -6.751  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.823  -5.671  -3.782  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.756  -4.932  -3.183  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.778  -4.596  -4.256  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.261  -3.480  -4.275  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.218  -5.746  -2.044  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.218  -6.176  -0.958  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.009  -5.086  -1.360  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -2.825  -5.074  -0.091  1.00 12.30           C
ATOM      0  H   ILE A  23      -2.843  -6.638  -3.457  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.063  -3.980  -2.750  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.924  -6.660  -2.561  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.034  -6.712  -1.443  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -1.717  -6.886  -0.300  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23       0.338  -5.720  -0.544  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.794  -4.957  -2.086  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.301  -4.113  -0.965  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.511  -5.516   0.632  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.030  -4.548   0.438  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.367  -4.371  -0.723  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.531  -5.467  -5.251  1.00  9.54           N
ATOM    373  CA  GLU A  24       0.253  -5.224  -6.422  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.202  -4.030  -7.189  1.00 11.14           C
ATOM    375  O   GLU A  24       0.649  -3.276  -7.657  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.005  -6.445  -7.324  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.835  -6.515  -8.608  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.392  -7.588  -9.593  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -0.779  -7.598 -10.059  1.00 34.80           O
ATOM    380  OE2 GLU A  24       1.261  -8.452  -9.885  1.00 36.51           O
ATOM      0  H   GLU A  24      -0.910  -6.414  -5.234  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       1.291  -5.058  -6.133  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       0.198  -7.346  -6.742  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -1.050  -6.461  -7.597  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       0.794  -5.546  -9.105  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.877  -6.693  -8.342  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.516  -3.849  -7.413  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.016  -2.628  -7.965  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.952  -1.421  -7.095  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.726  -0.337  -7.632  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.450  -2.793  -8.497  1.00 16.78           C
ATOM    392  CG  ASN A  25      -3.397  -3.441  -9.873  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -2.366  -3.660 -10.506  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.575  -4.032 -10.210  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.232  -4.547  -7.212  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.315  -2.432  -8.776  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.036  -3.407  -7.814  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.943  -1.823  -8.557  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -4.616  -4.672 -11.003  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -5.417  -3.835  -9.670  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.054  -1.499  -5.756  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.689  -0.467  -4.835  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.292   0.022  -5.006  1.00  4.42           C
ATOM    404  O   VAL A  26       0.008   1.213  -5.069  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.863  -0.931  -3.419  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.458   0.127  -2.379  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.321  -1.375  -3.211  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.413  -2.332  -5.289  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.359   0.364  -5.054  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.188  -1.772  -3.262  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -1.608  -0.273  -1.376  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -0.408   0.386  -2.513  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.071   1.019  -2.510  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.455  -1.714  -2.184  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.988  -0.536  -3.406  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.554  -2.191  -3.895  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.639  -0.944  -5.097  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.025  -0.750  -5.391  1.00  4.14           C
ATOM    419  C   LYS A  27       2.269  -0.125  -6.721  1.00  5.58           C
ATOM    420  O   LYS A  27       3.232   0.636  -6.814  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.751  -2.098  -5.241  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.872  -2.626  -3.810  1.00  7.45           C
ATOM    423  CD  LYS A  27       4.066  -3.568  -3.645  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.118  -4.134  -2.224  1.00 12.90           C
ATOM    425  NZ  LYS A  27       5.242  -5.085  -2.070  1.00 15.47           N
ATOM      0  H   LYS A  27       0.407  -1.927  -4.955  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.429  -0.033  -4.677  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.227  -2.842  -5.841  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.753  -2.000  -5.659  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.974  -1.787  -3.122  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.956  -3.151  -3.539  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       3.994  -4.384  -4.364  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       4.990  -3.033  -3.862  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.226  -3.319  -1.508  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.178  -4.637  -1.995  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.030  -5.752  -1.300  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.375  -5.611  -2.957  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       6.112  -4.561  -1.844  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.413  -0.367  -7.730  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.610   0.266  -8.996  1.00  7.74           C
ATOM    441  C   ALA A  28       1.155   1.682  -9.087  1.00  9.17           C
ATOM    442  O   ALA A  28       1.782   2.531  -9.718  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.781  -0.676  -9.886  1.00  7.68           C
ATOM      0  H   ALA A  28       0.604  -0.985  -7.673  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.662   0.378  -9.260  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       0.822  -0.331 -10.919  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.187  -1.686  -9.824  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.255  -0.680  -9.546  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.132   1.978  -8.266  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.401   3.295  -8.101  1.00  7.90           C
ATOM    451  C   LYS A  29       0.556   4.281  -7.526  1.00  6.92           C
ATOM    452  O   LYS A  29       0.663   5.432  -7.947  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.736   3.109  -7.359  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.905   2.734  -8.271  1.00 14.94           C
ATOM    455  CD  LYS A  29      -4.219   2.651  -7.492  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.376   2.047  -8.290  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.057   0.691  -8.790  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.341   1.276  -7.697  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.589   3.778  -9.060  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.615   2.334  -6.603  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.980   4.032  -6.833  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.999   3.473  -9.067  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.703   1.775  -8.748  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.060   2.055  -6.593  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.500   3.652  -7.165  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -6.265   2.002  -7.661  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -5.614   2.697  -9.132  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -5.916   0.105  -8.778  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -4.696   0.756  -9.763  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -4.334   0.258  -8.181  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.222   3.791  -6.466  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.300   4.465  -5.812  1.00  5.58           C
ATOM    473  C   ILE A  30       3.508   4.492  -6.685  1.00  7.26           C
ATOM    474  O   ILE A  30       4.185   5.518  -6.649  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.606   3.783  -4.512  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.357   3.764  -3.615  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.686   4.597  -3.779  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.513   3.108  -2.244  1.00  2.00           C
ATOM      0  H   ILE A  30       1.000   2.888  -6.047  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       2.005   5.495  -5.612  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.936   2.764  -4.714  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.028   4.792  -3.466  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.560   3.249  -4.151  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       3.922   4.116  -2.830  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.584   4.647  -4.394  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.318   5.606  -3.593  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.566   3.157  -1.707  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.805   2.065  -2.371  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.280   3.633  -1.675  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.896   3.518  -7.527  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.903   3.566  -8.542  1.00  8.67           C
ATOM    492  C   GLN A  31       4.615   4.664  -9.507  1.00 10.90           C
ATOM    493  O   GLN A  31       5.492   5.323 -10.064  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.166   2.194  -9.185  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.378   2.214 -10.118  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.652   0.841 -10.715  1.00 13.78           C
ATOM    497  OE1 GLN A  31       7.796   0.391 -10.750  1.00 14.48           O
ATOM    498  NE2 GLN A  31       5.616   0.175 -11.293  1.00 14.76           N
ATOM      0  H   GLN A  31       3.455   2.599  -7.490  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.856   3.814  -8.074  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.325   1.453  -8.402  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.284   1.882  -9.745  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.208   2.932 -10.920  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.255   2.553  -9.567  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       4.674   0.564 -11.254  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       5.781  -0.714 -11.766  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.357   5.062  -9.768  1.00 10.93           N
ATOM    508  CA  ASP A  32       2.977   6.028 -10.752  1.00 14.01           C
ATOM    509  C   ASP A  32       3.096   7.417 -10.226  1.00 14.04           C
ATOM    510  O   ASP A  32       3.564   8.379 -10.832  1.00 13.39           O
ATOM    511  CB  ASP A  32       1.608   5.554 -11.267  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.103   6.058 -12.612  1.00 24.33           C
ATOM    513  OD1 ASP A  32       1.684   5.609 -13.636  1.00 26.29           O
ATOM    514  OD2 ASP A  32      -0.002   6.659 -12.681  1.00 25.17           O
ATOM      0  H   ASP A  32       2.556   4.686  -9.260  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       3.642   6.091 -11.613  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       1.635   4.465 -11.314  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       0.865   5.823 -10.516  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.494   7.631  -9.042  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.554   8.857  -8.307  1.00 14.00           C
ATOM    521  C   LYS A  33       3.921   9.187  -7.817  1.00 12.37           C
ATOM    522  O   LYS A  33       4.395  10.297  -8.053  1.00 12.17           O
ATOM    523  CB  LYS A  33       1.519   8.919  -7.171  1.00 18.62           C
ATOM    524  CG  LYS A  33       0.089   8.866  -7.711  1.00 24.00           C
ATOM    525  CD  LYS A  33      -0.401  10.242  -8.168  1.00 27.61           C
ATOM    526  CE  LYS A  33      -1.887  10.360  -8.512  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -2.368   9.450  -9.576  1.00 30.06           N
ATOM      0  H   LYS A  33       1.939   6.914  -8.575  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.290   9.631  -9.028  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.681   8.088  -6.485  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.659   9.836  -6.599  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       0.043   8.168  -8.547  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33      -0.577   8.482  -6.938  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -0.175  10.963  -7.382  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       0.176  10.535  -9.045  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -2.467  10.173  -7.608  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -2.092  11.387  -8.816  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -3.384   9.607  -9.734  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -1.847   9.639 -10.456  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -2.211   8.464  -9.286  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.597   8.259  -7.115  1.00 10.11           N
ATOM    542  CA  GLU A  34       5.722   8.604  -6.302  1.00 10.07           C
ATOM    543  C   GLU A  34       6.958   8.106  -6.969  1.00  9.32           C
ATOM    544  O   GLU A  34       7.998   8.751  -6.848  1.00 11.61           O
ATOM    545  CB  GLU A  34       5.823   8.075  -4.862  1.00 14.77           C
ATOM    546  CG  GLU A  34       4.762   8.647  -3.920  1.00 18.75           C
ATOM    547  CD  GLU A  34       4.976  10.147  -3.779  1.00 22.28           C
ATOM    548  OE1 GLU A  34       6.062  10.548  -3.280  1.00 25.19           O
ATOM    549  OE2 GLU A  34       4.071  10.950  -4.132  1.00 21.95           O
ATOM      0  H   GLU A  34       4.363   7.266  -7.111  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.595   9.683  -6.209  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.735   6.989  -4.877  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       6.811   8.310  -4.467  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       3.765   8.445  -4.310  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.826   8.165  -2.945  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.987   6.912  -7.587  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.120   6.419  -8.306  1.00  6.29           C
ATOM    558  C   GLY A  35       8.926   5.625  -7.337  1.00  6.93           C
ATOM    559  O   GLY A  35      10.151   5.675  -7.431  1.00  7.41           O
ATOM      0  H   GLY A  35       6.196   6.268  -7.586  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       7.806   5.801  -9.147  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       8.707   7.241  -8.716  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.315   4.866  -6.409  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.938   4.053  -5.411  1.00  6.07           C
ATOM    565  C   ILE A  36       8.638   2.733  -6.034  1.00  6.36           C
ATOM    566  O   ILE A  36       7.458   2.549  -6.327  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.417   4.171  -4.009  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.469   5.621  -3.499  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.232   3.263  -3.074  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.554   5.749  -2.282  1.00  9.49           C
ATOM      0  H   ILE A  36       7.298   4.819  -6.354  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.981   4.306  -5.219  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.373   3.858  -4.015  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.491   5.891  -3.233  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.152   6.308  -4.283  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.850   3.352  -2.057  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.145   2.228  -3.405  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.279   3.564  -3.096  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.583   6.774  -1.911  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.533   5.494  -2.566  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       7.893   5.070  -1.499  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.522   1.833  -6.349  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.150   0.711  -7.161  1.00  9.18           C
ATOM    584  C   PRO A  37       8.712  -0.384  -6.250  1.00  9.85           C
ATOM    585  O   PRO A  37       8.944  -0.316  -5.044  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.424   0.510  -7.977  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.575   0.813  -7.004  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.963   1.984  -6.219  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.303   0.800  -7.841  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.490  -0.508  -8.361  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.450   1.178  -8.838  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      11.814  -0.037  -6.365  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.494   1.093  -7.520  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.267   1.956  -5.173  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.295   2.941  -6.621  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.090  -1.401  -6.769  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.443  -2.404  -5.974  1.00  9.08           C
ATOM    598  C   PRO A  38       8.330  -3.245  -5.122  1.00  9.28           C
ATOM    599  O   PRO A  38       7.917  -3.768  -4.088  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.529  -3.212  -6.893  1.00 10.31           C
ATOM    601  CG  PRO A  38       7.152  -2.972  -8.277  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.752  -1.560  -8.175  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.858  -1.890  -5.211  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.521  -4.270  -6.630  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.497  -2.864  -6.847  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       7.916  -3.715  -8.505  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       6.404  -3.032  -9.067  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       8.634  -1.458  -8.808  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       7.038  -0.802  -8.498  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.615  -3.392  -5.491  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.399  -4.194  -4.604  1.00 14.96           C
ATOM    612  C   ASP A  39      10.884  -3.403  -3.438  1.00 13.99           C
ATOM    613  O   ASP A  39      11.180  -4.019  -2.415  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.733  -4.587  -5.261  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.673  -5.689  -6.309  1.00 31.06           C
ATOM    616  OD1 ASP A  39      11.400  -6.864  -5.946  1.00 35.55           O
ATOM    617  OD2 ASP A  39      11.930  -5.345  -7.494  1.00 34.22           O
ATOM      0  H   ASP A  39      10.076  -3.003  -6.314  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.754  -5.031  -4.339  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      12.160  -3.698  -5.724  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      12.421  -4.899  -4.476  1.00 24.16           H   new
ATOM    622  N   GLN A  40      11.006  -2.064  -3.426  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.482  -1.351  -2.282  1.00 10.76           C
ATOM    624  C   GLN A  40      10.383  -0.918  -1.374  1.00  8.01           C
ATOM    625  O   GLN A  40      10.690  -0.514  -0.253  1.00  8.96           O
ATOM    626  CB  GLN A  40      12.190  -0.089  -2.805  1.00 11.14           C
ATOM    627  CG  GLN A  40      13.429  -0.251  -3.688  1.00 14.85           C
ATOM    628  CD  GLN A  40      14.181   1.050  -3.930  1.00 16.11           C
ATOM    629  OE1 GLN A  40      14.381   1.996  -3.170  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.689   1.177  -5.185  1.00 18.16           N
ATOM      0  H   GLN A  40      10.771  -1.468  -4.220  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.138  -2.009  -1.712  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.458   0.491  -3.367  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      12.477   0.511  -1.941  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      14.104  -0.970  -3.223  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.128  -0.671  -4.648  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.559   0.429  -5.866  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.200   2.021  -5.445  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.104  -0.989  -1.785  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.922  -0.779  -1.008  1.00  3.87           C
ATOM    641  C   GLN A  41       7.594  -1.914  -0.101  1.00  4.79           C
ATOM    642  O   GLN A  41       7.051  -2.915  -0.566  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.613  -0.533  -1.776  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.599   0.628  -2.773  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.248   0.814  -3.449  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.211   0.713  -2.796  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.285   1.372  -4.689  1.00  7.13           N
ATOM      0  H   GLN A  41       8.879  -1.215  -2.754  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.219   0.128  -0.482  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.360  -1.446  -2.316  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.820  -0.363  -1.048  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.870   1.548  -2.255  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.360   0.455  -3.534  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.169   1.435  -5.194  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.429   1.728  -5.114  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.950  -1.763   1.187  1.00  5.73           N
ATOM    657  CA  ARG A  42       7.545  -2.584   2.286  1.00  6.97           C
ATOM    658  C   ARG A  42       6.241  -1.959   2.644  1.00  7.15           C
ATOM    659  O   ARG A  42       6.182  -0.811   3.081  1.00  7.33           O
ATOM    660  CB  ARG A  42       8.537  -2.641   3.460  1.00 13.23           C
ATOM    661  CG  ARG A  42       9.729  -3.547   3.144  1.00 21.27           C
ATOM    662  CD  ARG A  42      10.754  -3.640   4.276  1.00 26.14           C
ATOM    663  NE  ARG A  42      10.210  -4.417   5.424  1.00 32.26           N
ATOM    664  CZ  ARG A  42      10.455  -4.049   6.716  1.00 34.32           C
ATOM    665  NH1 ARG A  42      11.513  -3.256   7.056  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.681  -4.488   7.751  1.00 36.39           N
ATOM      0  H   ARG A  42       8.569  -1.008   1.482  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       7.487  -3.641   2.026  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.893  -1.636   3.686  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       8.027  -3.007   4.351  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       9.362  -4.548   2.916  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42      10.226  -3.178   2.247  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42      11.664  -4.115   3.909  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42      11.028  -2.638   4.607  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       9.641  -5.244   5.241  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      12.150  -2.919   6.334  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      11.666  -3.000   8.032  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       8.893  -5.110   7.570  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       9.891  -4.194   8.705  1.00 36.39           H   new
ATOM    680  N   LEU A  43       5.104  -2.654   2.457  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.842  -2.290   3.021  1.00  3.51           C
ATOM    682  C   LEU A  43       3.547  -3.130   4.216  1.00  5.56           C
ATOM    683  O   LEU A  43       3.332  -4.327   4.030  1.00  4.19           O
ATOM    684  CB  LEU A  43       2.652  -2.478   2.064  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.649  -1.630   0.782  1.00  6.32           C
ATOM    686  CD1 LEU A  43       1.494  -1.896  -0.198  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.687  -0.116   1.049  1.00  9.55           C
ATOM      0  H   LEU A  43       5.063  -3.502   1.891  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.942  -1.232   3.263  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       2.611  -3.528   1.776  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.736  -2.263   2.615  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       3.573  -1.962   0.309  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.594  -1.242  -1.064  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.525  -2.936  -0.523  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.543  -1.699   0.298  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.683   0.421   0.100  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.813   0.172   1.633  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.592   0.133   1.603  1.00  9.55           H   new
ATOM    699  N   ILE A  44       3.473  -2.513   5.408  1.00  4.58           N
ATOM    700  CA  ILE A  44       3.187  -3.007   6.719  1.00  5.55           C
ATOM    701  C   ILE A  44       1.879  -2.458   7.176  1.00  5.46           C
ATOM    702  O   ILE A  44       1.523  -1.338   6.814  1.00  6.04           O
ATOM    703  CB  ILE A  44       4.367  -2.808   7.624  1.00  6.80           C
ATOM    704  CG1 ILE A  44       5.739  -3.033   6.967  1.00 10.31           C
ATOM    705  CG2 ILE A  44       4.249  -3.622   8.924  1.00  7.39           C
ATOM    706  CD1 ILE A  44       6.792  -2.582   7.977  1.00 13.90           C
ATOM      0  H   ILE A  44       3.642  -1.508   5.451  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       3.048  -4.088   6.728  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       4.329  -1.746   7.868  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.876  -4.083   6.709  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       5.822  -2.463   6.041  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       5.127  -3.444   9.545  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       3.354  -3.316   9.465  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       4.183  -4.683   8.684  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       7.786  -2.723   7.554  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       6.644  -1.528   8.211  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       6.698  -3.173   8.888  1.00 13.90           H   new
ATOM    718  N   PHE A  45       1.047  -3.306   7.805  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.309  -3.052   8.182  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.447  -3.526   9.588  1.00  6.34           C
ATOM    721  O   PHE A  45      -0.424  -4.717   9.891  1.00  5.45           O
ATOM    722  CB  PHE A  45      -1.207  -3.827   7.202  1.00  5.51           C
ATOM    723  CG  PHE A  45      -2.606  -3.341   7.364  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -2.891  -2.089   6.871  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -3.570  -4.025   8.067  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -4.169  -1.587   6.945  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -4.850  -3.543   8.202  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -5.130  -2.374   7.534  1.00  6.84           C
ATOM      0  H   PHE A  45       1.348  -4.244   8.071  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.595  -2.001   8.137  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -0.869  -3.676   6.177  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -1.151  -4.897   7.401  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -2.107  -1.497   6.423  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -3.314  -4.968   8.526  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -4.409  -0.609   6.554  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -5.593  -4.053   8.798  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -6.160  -2.057   7.469  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.380  -2.587  10.549  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.053  -2.881  11.909  1.00  7.15           C
ATOM    740  C   ALA A  46       1.346  -3.358  12.093  1.00  9.00           C
ATOM    741  O   ALA A  46       2.271  -2.579  11.869  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.156  -3.623  12.684  1.00  8.99           C
ATOM      0  H   ALA A  46      -0.558  -1.598  10.375  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -0.043  -1.923  12.429  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -0.823  -3.805  13.706  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.061  -3.016  12.700  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -1.366  -4.575  12.196  1.00  8.99           H   new
ATOM    748  N   GLY A  47       1.562  -4.650  12.398  1.00  9.35           N
ATOM    749  CA  GLY A  47       2.830  -5.308  12.466  1.00 11.68           C
ATOM    750  C   GLY A  47       2.937  -6.423  11.482  1.00 11.14           C
ATOM    751  O   GLY A  47       3.823  -7.257  11.660  1.00 13.93           O
ATOM      0  H   GLY A  47       0.790  -5.282  12.613  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       3.624  -4.584  12.281  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       2.982  -5.698  13.473  1.00 11.68           H   new
ATOM    755  N   LYS A  48       2.112  -6.541  10.426  1.00 10.47           N
ATOM    756  CA  LYS A  48       2.147  -7.485   9.353  1.00  8.82           C
ATOM    757  C   LYS A  48       2.606  -6.837   8.092  1.00  7.68           C
ATOM    758  O   LYS A  48       2.005  -5.918   7.537  1.00  6.47           O
ATOM    759  CB  LYS A  48       0.751  -8.077   9.096  1.00  9.74           C
ATOM    760  CG  LYS A  48       0.783  -9.165   8.021  1.00 14.14           C
ATOM    761  CD  LYS A  48      -0.364 -10.174   7.944  1.00 16.32           C
ATOM    762  CE  LYS A  48      -0.591 -11.030   9.192  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -1.251 -12.277   8.746  1.00 23.92           N
ATOM      0  H   LYS A  48       1.329  -5.896  10.315  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       2.840  -8.274   9.645  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48       0.357  -8.494  10.023  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48       0.071  -7.283   8.789  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48       0.848  -8.668   7.053  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48       1.707  -9.728   8.152  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -1.284  -9.632   7.728  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -0.180 -10.839   7.100  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48       0.355 -11.250   9.686  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -1.213 -10.501   9.915  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -1.425 -12.891   9.567  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -2.156 -12.046   8.289  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -0.637 -12.771   8.068  1.00 23.92           H   new
ATOM    777  N   GLN A  49       3.723  -7.305   7.507  1.00  8.89           N
ATOM    778  CA  GLN A  49       4.089  -7.097   6.141  1.00  7.18           C
ATOM    779  C   GLN A  49       3.221  -7.843   5.187  1.00  8.23           C
ATOM    780  O   GLN A  49       3.272  -9.072   5.199  1.00  9.70           O
ATOM    781  CB  GLN A  49       5.572  -7.413   5.883  1.00 11.67           C
ATOM    782  CG  GLN A  49       5.987  -6.891   4.506  1.00 15.82           C
ATOM    783  CD  GLN A  49       7.503  -6.764   4.552  1.00 20.21           C
ATOM    784  OE1 GLN A  49       8.052  -5.838   5.147  1.00 23.23           O
ATOM    785  NE2 GLN A  49       8.209  -7.816   4.057  1.00 20.67           N
ATOM      0  H   GLN A  49       4.409  -7.860   8.018  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       3.932  -6.034   5.957  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       6.190  -6.955   6.656  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       5.738  -8.489   5.938  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       5.675  -7.576   3.718  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       5.520  -5.929   4.295  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       7.726  -8.570   3.568  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       9.222  -7.851   4.175  1.00 20.67           H   new
ATOM    794  N   LEU A  50       2.613  -7.116   4.233  1.00  6.51           N
ATOM    795  CA  LEU A  50       1.714  -7.631   3.247  1.00  7.41           C
ATOM    796  C   LEU A  50       2.434  -8.289   2.121  1.00  8.27           C
ATOM    797  O   LEU A  50       3.661  -8.228   2.073  1.00  8.34           O
ATOM    798  CB  LEU A  50       0.848  -6.530   2.613  1.00  7.13           C
ATOM    799  CG  LEU A  50       0.184  -5.577   3.620  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -0.677  -4.504   2.932  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -0.699  -6.274   4.669  1.00  8.14           C
ATOM      0  H   LEU A  50       2.758  -6.110   4.145  1.00  6.51           H   new
ATOM      0  HA  LEU A  50       1.095  -8.347   3.787  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       1.468  -5.945   1.934  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50       0.071  -7.000   2.010  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       1.034  -5.122   4.129  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -1.124  -3.857   3.687  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.053  -3.908   2.266  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -1.466  -4.986   2.354  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -1.127  -5.528   5.338  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -1.502  -6.815   4.168  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -0.095  -6.974   5.246  1.00  8.14           H   new
ATOM    813  N   GLU A  51       1.788  -9.123   1.286  1.00  9.43           N
ATOM    814  CA  GLU A  51       2.373  -9.844   0.199  1.00 11.90           C
ATOM    815  C   GLU A  51       1.547  -9.458  -0.979  1.00 11.49           C
ATOM    816  O   GLU A  51       0.348  -9.184  -0.979  1.00  9.88           O
ATOM    817  CB  GLU A  51       2.302 -11.372   0.362  1.00 16.56           C
ATOM    818  CG  GLU A  51       3.078 -11.923   1.560  1.00 26.06           C
ATOM    819  CD  GLU A  51       2.813 -13.380   1.910  1.00 29.86           C
ATOM    820  OE1 GLU A  51       1.620 -13.701   2.157  1.00 32.13           O
ATOM    821  OE2 GLU A  51       3.801 -14.115   2.179  1.00 33.44           O
ATOM      0  H   GLU A  51       0.789  -9.305   1.378  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       3.433  -9.603   0.120  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       1.257 -11.666   0.457  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       2.683 -11.839  -0.546  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       4.144 -11.805   1.364  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       2.845 -11.312   2.432  1.00 26.06           H   new
ATOM    828  N   ASP A  52       2.266  -9.294  -2.104  1.00 12.71           N
ATOM    829  CA  ASP A  52       1.956  -8.450  -3.216  1.00 16.56           C
ATOM    830  C   ASP A  52       0.736  -8.840  -3.977  1.00 15.83           C
ATOM    831  O   ASP A  52      -0.119  -8.004  -4.261  1.00 17.21           O
ATOM    832  CB  ASP A  52       3.164  -8.413  -4.167  1.00 21.05           C
ATOM    833  CG  ASP A  52       4.497  -8.073  -3.516  1.00 25.12           C
ATOM    834  OD1 ASP A  52       4.918  -8.796  -2.573  1.00 25.82           O
ATOM    835  OD2 ASP A  52       5.136  -7.065  -3.920  1.00 28.37           O
ATOM      0  H   ASP A  52       3.142  -9.798  -2.246  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       1.738  -7.467  -2.799  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       3.253  -9.385  -4.652  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       2.965  -7.683  -4.951  1.00 21.05           H   new
ATOM    840  N   GLY A  53       0.555 -10.117  -4.360  1.00 15.00           N
ATOM    841  CA  GLY A  53      -0.568 -10.569  -5.122  1.00 11.77           C
ATOM    842  C   GLY A  53      -1.820 -10.857  -4.368  1.00 11.10           C
ATOM    843  O   GLY A  53      -2.787 -11.371  -4.929  1.00 11.25           O
ATOM      0  H   GLY A  53       1.214 -10.861  -4.131  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -0.792  -9.815  -5.877  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -0.276 -11.475  -5.653  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -1.852 -10.667  -3.037  1.00  8.53           N
ATOM    848  CA  ARG A  54      -3.059 -10.725  -2.272  1.00  9.05           C
ATOM    849  C   ARG A  54      -3.891  -9.505  -2.473  1.00  8.96           C
ATOM    850  O   ARG A  54      -3.529  -8.430  -2.949  1.00 11.60           O
ATOM    851  CB  ARG A  54      -2.691 -11.145  -0.839  1.00  7.97           C
ATOM    852  CG  ARG A  54      -2.395 -12.604  -0.489  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.471 -13.595  -0.940  1.00 12.20           C
ATOM    854  NE  ARG A  54      -2.926 -14.956  -0.677  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -3.515 -16.132  -1.043  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -4.761 -16.142  -1.600  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -2.893 -17.340  -0.916  1.00 25.50           N
ATOM      0  H   ARG A  54      -1.021 -10.469  -2.480  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -3.749 -11.495  -2.616  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -1.813 -10.566  -0.554  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -3.509 -10.823  -0.194  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -1.445 -12.888  -0.942  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -2.271 -12.688   0.591  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -4.400 -13.436  -0.392  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -3.699 -13.466  -1.998  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -2.037 -15.014  -0.181  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -5.261 -15.265  -1.746  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -5.192 -17.026  -1.870  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -1.949 -17.390  -0.534  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -3.373 -18.193  -1.203  1.00 25.50           H   new
ATOM    871  N   THR A  55      -5.180  -9.648  -2.118  1.00  9.05           N
ATOM    872  CA  THR A  55      -6.173  -8.621  -2.176  1.00  9.03           C
ATOM    873  C   THR A  55      -6.222  -7.800  -0.933  1.00  8.15           C
ATOM    874  O   THR A  55      -5.593  -8.067   0.089  1.00  5.91           O
ATOM    875  CB  THR A  55      -7.575  -8.925  -2.616  1.00 11.15           C
ATOM    876  OG1 THR A  55      -8.179  -9.710  -1.599  1.00 11.95           O
ATOM    877  CG2 THR A  55      -7.619  -9.609  -3.993  1.00 11.71           C
ATOM      0  H   THR A  55      -5.550 -10.533  -1.770  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -5.772  -8.077  -3.031  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -8.134  -7.999  -2.749  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -7.512 -10.316  -1.214  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -8.655  -9.808  -4.267  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -7.166  -8.956  -4.738  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -7.068 -10.548  -3.950  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -6.873  -6.628  -1.048  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.354  -5.820   0.029  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.352  -6.460   0.931  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.335  -6.172   2.126  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.965  -4.530  -0.543  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.033  -3.570  -1.302  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.841  -2.506  -2.064  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.993  -2.823  -0.450  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.077  -6.217  -1.959  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -6.479  -5.633   0.651  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.775  -4.813  -1.216  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.415  -3.978   0.282  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.485  -4.237  -1.967  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -7.159  -1.840  -2.592  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.500  -2.994  -2.782  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.438  -1.928  -1.359  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.394  -2.177  -1.091  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.503  -2.218   0.300  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.344  -3.544   0.046  1.00  9.85           H   new
ATOM    904  N   SER A  57      -9.201  -7.367   0.414  1.00  8.92           N
ATOM    905  CA  SER A  57     -10.012  -8.255   1.188  1.00  9.00           C
ATOM    906  C   SER A  57      -9.251  -9.115   2.137  1.00  9.44           C
ATOM    907  O   SER A  57      -9.594  -9.377   3.289  1.00 10.91           O
ATOM    908  CB  SER A  57     -10.859  -9.126   0.244  1.00 10.32           C
ATOM    909  OG  SER A  57     -11.288  -8.422  -0.911  1.00 13.59           O
ATOM      0  H   SER A  57      -9.328  -7.486  -0.591  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -10.647  -7.626   1.812  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -10.278  -9.996  -0.061  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -11.731  -9.498   0.783  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -11.820  -9.018  -1.479  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -8.069  -9.585   1.700  1.00  9.11           N
ATOM    916  CA  ASP A  58      -7.377 -10.597   2.436  1.00  7.91           C
ATOM    917  C   ASP A  58      -6.880 -10.213   3.787  1.00  9.12           C
ATOM    918  O   ASP A  58      -6.838 -10.971   4.754  1.00  8.61           O
ATOM    919  CB  ASP A  58      -6.182 -11.186   1.667  1.00  8.41           C
ATOM    920  CG  ASP A  58      -6.765 -11.997   0.518  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -7.258 -13.099   0.876  1.00 10.05           O
ATOM    922  OD2 ASP A  58      -6.733 -11.619  -0.683  1.00 11.70           O
ATOM      0  H   ASP A  58      -7.598  -9.271   0.851  1.00  9.11           H   new
ATOM      0  HA  ASP A  58      -8.169 -11.333   2.572  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -5.533 -10.394   1.293  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -5.574 -11.816   2.317  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -6.495  -8.937   3.967  1.00  7.97           N
ATOM    928  CA  TYR A  59      -6.093  -8.430   5.242  1.00  8.45           C
ATOM    929  C   TYR A  59      -7.138  -7.576   5.874  1.00 10.98           C
ATOM    930  O   TYR A  59      -6.838  -7.080   6.959  1.00 12.95           O
ATOM    931  CB  TYR A  59      -4.773  -7.647   5.144  1.00  7.94           C
ATOM    932  CG  TYR A  59      -3.688  -8.376   4.431  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -3.168  -9.570   4.873  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -3.367  -7.920   3.174  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -2.293 -10.322   4.125  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -2.545  -8.685   2.381  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -2.014  -9.859   2.861  1.00  6.76           C
ATOM    938  OH  TYR A  59      -1.105 -10.627   2.102  1.00  7.63           O
ATOM      0  H   TYR A  59      -6.462  -8.247   3.216  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -5.944  -9.302   5.879  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -4.960  -6.703   4.632  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -4.432  -7.402   6.150  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -3.459  -9.932   5.848  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -3.754  -6.977   2.816  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -1.849 -11.228   4.510  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -2.315  -8.362   1.376  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.172 -11.568   2.366  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -8.309  -7.409   5.234  1.00 12.38           N
ATOM    949  CA  ASN A  60      -9.380  -6.577   5.689  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.178  -5.102   5.622  1.00 14.16           C
ATOM    951  O   ASN A  60      -9.425  -4.400   6.601  1.00 14.26           O
ATOM    952  CB  ASN A  60      -9.950  -7.003   7.053  1.00 19.23           C
ATOM    953  CG  ASN A  60     -10.563  -8.396   7.020  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -11.429  -8.746   6.220  1.00 25.45           O
ATOM    955  ND2 ASN A  60      -9.927  -9.325   7.783  1.00 24.09           N
ATOM      0  H   ASN A  60      -8.520  -7.879   4.353  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -10.131  -6.769   4.923  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60      -9.156  -6.977   7.799  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -10.707  -6.284   7.367  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -10.168 -10.312   7.692  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60      -9.209  -9.035   8.447  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -8.724  -4.588   4.465  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.434  -3.188   4.510  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.619  -2.393   4.083  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.156  -2.693   3.018  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.239  -2.961   3.632  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -5.962  -3.640   4.155  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -6.995  -1.452   3.459  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -4.885  -3.878   3.097  1.00 11.42           C
ATOM      0  H   ILE A  61      -8.569  -5.078   3.584  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.208  -2.858   5.524  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.467  -3.420   2.670  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -5.541  -3.026   4.951  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.232  -4.597   4.600  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.126  -1.295   2.820  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -7.870  -0.992   3.000  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.816  -0.998   4.434  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.023  -4.360   3.558  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.283  -4.520   2.311  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -4.580  -2.924   2.667  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.085  -1.448   4.919  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.326  -0.764   4.727  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.089   0.652   4.330  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.938   1.084   4.297  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.166  -0.861   6.012  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.288  -2.282   6.564  1.00 26.38           C
ATOM    987  CD  GLN A  62     -13.130  -2.226   7.831  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -12.570  -1.977   8.897  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -14.433  -2.605   7.734  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.582  -1.150   5.755  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -11.881  -1.236   3.916  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -11.721  -0.222   6.775  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.164  -0.472   5.813  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.752  -2.938   5.827  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.302  -2.692   6.780  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -14.841  -2.798   6.819  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -15.002  -2.696   8.576  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.127   1.397   3.908  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.110   2.692   3.303  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.548   3.696   4.249  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.660   3.561   5.466  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.540   3.058   2.872  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.556   3.337   3.982  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.896   4.824   4.099  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.735   5.239   5.309  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -15.834   6.688   5.594  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.081   1.050   4.003  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.470   2.685   2.421  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -13.485   3.941   2.235  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.926   2.245   2.257  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -15.468   2.773   3.787  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.159   2.982   4.933  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -13.963   5.387   4.122  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.427   5.125   3.196  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.744   4.852   5.170  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.324   4.748   6.191  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -15.423   6.887   6.528  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -15.315   7.221   4.867  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -16.833   6.976   5.587  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.779   4.715   3.823  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -10.111   5.650   4.674  1.00 10.94           C
ATOM   1022  C   GLU A  64      -9.163   5.068   5.665  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.872   5.700   6.679  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.104   6.667   5.263  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -11.771   7.577   4.230  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.894   8.450   4.771  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.665   9.331   5.643  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -14.053   8.182   4.357  1.00 31.72           O
ATOM      0  H   GLU A  64     -10.615   4.895   2.832  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -9.429   6.199   4.025  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.879   6.126   5.806  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -10.580   7.287   5.990  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -11.010   8.222   3.791  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -12.168   6.958   3.425  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.610   3.860   5.452  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.715   3.220   6.365  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.304   3.543   6.012  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.885   3.978   4.940  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.978   1.704   6.352  1.00  7.28           C
ATOM   1040  OG  SER A  65      -7.255   0.860   7.235  1.00 10.56           O
ATOM      0  H   SER A  65      -8.793   3.309   4.613  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.887   3.587   7.377  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -9.039   1.555   6.554  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.794   1.350   5.338  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -7.538  -0.069   7.105  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.411   3.357   7.001  1.00  4.48           N
ATOM   1047  CA  THR A  66      -4.000   3.588   6.996  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.175   2.403   6.626  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.231   1.423   7.368  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.441   3.999   8.325  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.214   5.017   8.945  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -2.055   4.658   8.221  1.00  3.40           C
ATOM      0  H   THR A  66      -5.718   3.004   7.907  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -3.930   4.380   6.251  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.424   3.062   8.882  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -3.814   5.252   9.808  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.707   4.932   9.217  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.352   3.957   7.771  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.123   5.552   7.602  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.294   2.558   5.622  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.332   1.586   5.205  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.015   2.256   5.400  1.00  3.80           C
ATOM   1063  O   LEU A  67       0.031   3.483   5.481  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.511   1.160   3.738  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.749   0.320   3.381  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.030   1.164   3.502  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.595  -0.162   1.929  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.251   3.414   5.068  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.434   0.665   5.779  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.531   2.063   3.127  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.627   0.595   3.443  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.827  -0.524   4.066  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.895   0.552   3.245  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.132   1.526   4.525  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -3.972   2.013   2.821  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.462  -0.761   1.651  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.521   0.700   1.265  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.692  -0.767   1.840  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       1.082   1.499   5.579  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.326   2.122   5.910  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.426   1.637   5.030  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.863   0.496   5.173  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.726   1.725   7.341  1.00  5.57           C
ATOM   1084  CG  HIS A  68       3.914   2.410   7.949  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       4.399   2.004   9.175  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       4.759   3.379   7.507  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       5.450   2.814   9.472  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       5.728   3.615   8.461  1.00 16.30           N
ATOM      0  H   HIS A  68       1.111   0.483   5.498  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       2.190   3.197   5.796  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       1.868   1.902   7.990  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       2.917   0.652   7.350  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       4.684   3.886   6.556  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       5.986   2.803  10.410  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       6.503   4.275   8.397  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.958   2.491   4.138  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.055   2.340   3.234  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.384   2.677   3.817  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.612   3.847   4.123  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.799   3.175   1.968  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.418   2.555   0.704  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       4.764   3.061  -0.593  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.946   2.721   0.635  1.00  6.87           C
ATOM      0  H   LEU A  69       3.554   3.423   4.042  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.106   1.279   2.991  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.724   3.285   1.823  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.205   4.176   2.111  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       5.208   1.489   0.788  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       5.243   2.588  -1.450  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       3.703   2.812  -0.587  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.882   4.142  -0.662  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       7.321   2.262  -0.280  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       7.197   3.782   0.639  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       7.404   2.237   1.498  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.188   1.622   4.040  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.460   1.565   4.690  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.388   1.252   3.567  1.00  9.22           C
ATOM   1118  O   VAL A  70       9.040   0.554   2.616  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.541   0.560   5.801  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.972   0.459   6.354  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.636   1.078   6.932  1.00  8.54           C
ATOM      0  H   VAL A  70       6.906   0.694   3.723  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.696   2.495   5.208  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.240  -0.420   5.432  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70      10.000  -0.277   7.158  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70      10.649   0.152   5.557  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70      10.282   1.430   6.740  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.661   0.378   7.767  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.992   2.053   7.265  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       6.613   1.170   6.566  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.598   1.838   3.534  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.553   1.815   2.470  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.526   0.712   2.709  1.00 18.09           C
ATOM   1134  O   LEU A  71      13.224   0.687   3.722  1.00 19.26           O
ATOM   1135  CB  LEU A  71      12.261   3.177   2.384  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.367   4.375   2.019  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      12.330   5.574   2.029  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.586   4.187   0.708  1.00 17.51           C
ATOM      0  H   LEU A  71      10.938   2.379   4.329  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      11.053   1.634   1.518  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.734   3.380   3.345  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      13.059   3.105   1.645  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.552   4.516   2.729  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      11.782   6.483   1.779  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.771   5.678   3.020  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.120   5.412   1.295  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       9.978   5.071   0.516  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.286   4.042  -0.115  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.939   3.314   0.792  1.00 17.51           H   new