USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A   7 THR OG1 :   rot -137:sc=    1.43
USER  MOD Set 1.2: A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   1 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A   1 MET N   :NH3+    169:sc=    2.53   (180deg=2.29)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  K(o=0,f=-0.68)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+    176:sc=       0   (180deg=-0.025)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  -42:sc=   0.448
USER  MOD Single : A  22 THR OG1 :   rot  180:sc= 0.00203
USER  MOD Single : A  25 ASN     :      amide:sc=       0  X(o=0,f=-0.018)
USER  MOD Single : A  27 LYS NZ  :NH3+    157:sc=   0.756   (180deg=0.498)
USER  MOD Single : A  29 LYS NZ  :NH3+   -123:sc=    1.27   (180deg=-0.158)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  K(o=0,f=-1.5!)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=   -1.54  K(o=-1.5,f=-5.9!)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.742  K(o=0.74,f=-0.73)
USER  MOD Single : A  48 LYS NZ  :NH3+    178:sc=       0   (180deg=-0.00548)
USER  MOD Single : A  49 GLN     :FLIP  amide:sc=  -0.141  F(o=-1.4!,f=-0.14)
USER  MOD Single : A  55 THR OG1 :   rot  -41:sc=    1.25
USER  MOD Single : A  57 SER OG  :   rot   92:sc=    1.23
USER  MOD Single : A  59 TYR OH  :   rot  -38:sc=   0.477
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=-0.056)
USER  MOD Single : A  63 LYS NZ  :NH3+    156:sc=   0.542   (180deg=-0.191)
USER  MOD Single : A  65 SER OG  :   rot   98:sc=    1.12
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HE2:sc=   -0.76! C(o=-0.76!,f=-4.7!)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -14.024   3.493  -3.094  1.00  9.67           N
ATOM      2  CA  MET A   1     -13.572   4.144  -1.844  1.00 10.38           C
ATOM      3  C   MET A   1     -12.122   4.474  -1.750  1.00  9.62           C
ATOM      4  O   MET A   1     -11.241   3.865  -2.355  1.00  9.62           O
ATOM      5  CB  MET A   1     -13.952   3.207  -0.685  1.00 13.77           C
ATOM      6  CG  MET A   1     -13.132   1.922  -0.551  1.00 16.29           C
ATOM      7  SD  MET A   1     -13.813   0.782   0.691  1.00 17.17           S
ATOM      8  CE  MET A   1     -12.312  -0.225   0.868  1.00 16.11           C
ATOM      0  H1  MET A   1     -14.997   3.146  -2.973  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -13.997   4.181  -3.873  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -13.397   2.694  -3.316  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -14.066   5.115  -1.811  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.867   3.765   0.247  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -15.001   2.933  -0.798  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -13.092   1.419  -1.517  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -12.107   2.176  -0.282  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -12.488  -1.015   1.599  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -12.057  -0.671  -0.094  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -11.489   0.405   1.205  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.757   5.646  -1.201  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.405   6.109  -1.151  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.705   5.688   0.096  1.00  8.72           C
ATOM     23  O   GLN A   2     -10.295   5.684   1.175  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.448   7.645  -1.213  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.630   8.271  -2.597  1.00 17.01           C
ATOM     26  CD  GLN A   2     -10.769   9.785  -2.523  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -10.778  10.413  -1.465  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -10.960  10.453  -3.692  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.424   6.292  -0.778  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.852   5.678  -1.986  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.261   7.989  -0.574  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.522   8.029  -0.785  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.777   8.015  -3.226  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.515   7.848  -3.073  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -10.955   9.945  -4.576  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -11.108  11.462  -3.684  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.398   5.374   0.029  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.490   5.230   1.124  1.00  5.07           C
ATOM     39  C   ILE A   3      -6.413   6.218   0.830  1.00  4.01           C
ATOM     40  O   ILE A   3      -6.197   6.750  -0.257  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.874   3.863   1.159  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.111   3.476  -0.119  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -8.044   2.891   1.386  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.380   2.135  -0.064  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.941   5.207  -0.867  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.996   5.380   2.078  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -6.121   3.832   1.947  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.816   3.453  -0.950  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.384   4.258  -0.339  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.666   1.869   1.423  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.537   3.129   2.328  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.759   2.985   0.568  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.875   1.957  -1.013  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.645   2.154   0.740  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -6.098   1.336   0.120  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.715   6.676   1.884  1.00  4.55           N
ATOM     57  CA  PHE A   4      -4.766   7.741   1.774  1.00  4.68           C
ATOM     58  C   PHE A   4      -3.467   7.087   2.095  1.00  5.30           C
ATOM     59  O   PHE A   4      -3.288   6.465   3.141  1.00  5.58           O
ATOM     60  CB  PHE A   4      -5.013   8.847   2.814  1.00  4.83           C
ATOM     61  CG  PHE A   4      -6.257   9.632   2.574  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -6.417  10.323   1.396  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -7.230   9.635   3.545  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -7.484  11.181   1.264  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -8.328  10.439   3.344  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -8.502  11.163   2.189  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.810   6.301   2.828  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -4.815   8.212   0.792  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -5.065   8.396   3.805  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -4.161   9.527   2.817  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -5.715  10.194   0.586  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -7.136   9.028   4.433  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -7.523  11.870   0.433  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -9.077  10.503   4.119  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -9.418  11.706   2.011  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -2.544   6.925   1.130  1.00  4.44           N
ATOM     77  CA  VAL A   5      -1.276   6.312   1.376  1.00  3.87           C
ATOM     78  C   VAL A   5      -0.263   7.398   1.499  1.00  4.93           C
ATOM     79  O   VAL A   5      -0.243   8.365   0.739  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.928   5.266   0.360  1.00  2.99           C
ATOM     81  CG1 VAL A   5       0.538   4.805   0.429  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.908   4.080   0.394  1.00  9.13           C
ATOM      0  H   VAL A   5      -2.680   7.224   0.164  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -1.306   5.752   2.311  1.00  3.87           H   new
ATOM      0  HB  VAL A   5      -1.037   5.751  -0.610  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       0.718   4.048  -0.335  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.196   5.657   0.257  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.741   4.383   1.413  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -1.618   3.347  -0.358  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.885   3.617   1.380  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.917   4.435   0.184  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.623   7.306   2.506  1.00  6.04           N
ATOM     93  CA  LYS A   6       1.568   8.313   2.882  1.00  6.12           C
ATOM     94  C   LYS A   6       2.980   7.883   2.683  1.00  6.57           C
ATOM     95  O   LYS A   6       3.423   6.829   3.136  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.357   8.681   4.360  1.00  7.45           C
ATOM     97  CG  LYS A   6       0.182   9.611   4.667  1.00 11.12           C
ATOM     98  CD  LYS A   6       0.444  11.009   4.102  1.00 14.54           C
ATOM     99  CE  LYS A   6       1.489  11.755   4.934  1.00 18.84           C
ATOM    100  NZ  LYS A   6       1.119  13.187   4.894  1.00 20.55           N
ATOM      0  H   LYS A   6       0.683   6.476   3.095  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       1.396   9.174   2.236  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       1.220   7.759   4.926  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       2.269   9.149   4.729  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6      -0.733   9.204   4.237  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       0.029   9.670   5.745  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       0.786  10.929   3.070  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6      -0.486  11.578   4.086  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       1.502  11.387   5.960  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       2.489  11.602   4.528  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       1.804  13.738   5.449  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       1.124  13.519   3.909  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       0.168  13.311   5.296  1.00 20.55           H   new
ATOM    114  N   THR A   7       3.780   8.621   1.893  1.00  7.41           N
ATOM    115  CA  THR A   7       5.159   8.302   1.691  1.00  7.48           C
ATOM    116  C   THR A   7       6.065   8.672   2.815  1.00  8.75           C
ATOM    117  O   THR A   7       5.698   9.375   3.755  1.00  8.58           O
ATOM    118  CB  THR A   7       5.565   8.871   0.364  1.00  9.61           C
ATOM    119  OG1 THR A   7       5.392  10.281   0.365  1.00 11.78           O
ATOM    120  CG2 THR A   7       4.717   8.198  -0.728  1.00  9.17           C
ATOM      0  H   THR A   7       3.466   9.450   1.388  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.268   7.218   1.677  1.00  7.48           H   new
ATOM      0  HB  THR A   7       6.619   8.675   0.168  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       4.989  10.562  -0.483  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       4.996   8.597  -1.703  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       4.892   7.122  -0.713  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       3.661   8.397  -0.543  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.337   8.246   2.714  1.00  9.84           N
ATOM    129  CA  LEU A   8       8.323   8.720   3.634  1.00 14.15           C
ATOM    130  C   LEU A   8       8.862  10.096   3.444  1.00 17.37           C
ATOM    131  O   LEU A   8       9.325  10.659   4.435  1.00 17.01           O
ATOM    132  CB  LEU A   8       9.602   7.869   3.550  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.486   6.365   3.853  1.00 18.88           C
ATOM    134  CD1 LEU A   8      10.878   5.716   3.934  1.00 18.59           C
ATOM    135  CD2 LEU A   8       8.819   6.072   5.208  1.00 19.31           C
ATOM      0  H   LEU A   8       7.677   7.589   2.012  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       7.756   8.676   4.564  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.011   7.977   2.545  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.332   8.294   4.239  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       8.882   5.962   3.040  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      10.772   4.653   4.149  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.395   5.844   2.983  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.455   6.191   4.727  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       8.767   4.994   5.362  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8       9.405   6.525   6.008  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       7.812   6.489   5.215  1.00 19.31           H   new
ATOM    147  N   THR A   9       8.800  10.643   2.217  1.00 18.33           N
ATOM    148  CA  THR A   9       9.017  12.028   1.933  1.00 19.24           C
ATOM    149  C   THR A   9       7.807  12.873   2.137  1.00 19.48           C
ATOM    150  O   THR A   9       8.018  14.044   2.448  1.00 23.14           O
ATOM    151  CB  THR A   9       9.505  12.306   0.542  1.00 18.97           C
ATOM    152  OG1 THR A   9       8.641  11.694  -0.404  1.00 20.24           O
ATOM    153  CG2 THR A   9      10.883  11.710   0.210  1.00 19.70           C
ATOM      0  H   THR A   9       8.589  10.094   1.384  1.00 18.33           H   new
ATOM      0  HA  THR A   9       9.793  12.290   2.652  1.00 19.24           H   new
ATOM      0  HB  THR A   9       9.546  13.394   0.493  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       8.964  11.880  -1.310  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      11.151  11.963  -0.816  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      11.630  12.118   0.892  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      10.846  10.626   0.319  1.00 19.70           H   new
ATOM    161  N   GLY A  10       6.543  12.416   2.076  1.00 19.43           N
ATOM    162  CA  GLY A  10       5.446  13.135   2.646  1.00 18.74           C
ATOM    163  C   GLY A  10       4.420  13.553   1.651  1.00 17.62           C
ATOM    164  O   GLY A  10       4.057  14.722   1.778  1.00 19.74           O
ATOM      0  H   GLY A  10       6.279  11.539   1.627  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       4.971  12.513   3.405  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       5.828  14.021   3.154  1.00 18.74           H   new
ATOM    168  N   LYS A  11       3.929  12.649   0.784  1.00 13.56           N
ATOM    169  CA  LYS A  11       2.882  12.872  -0.164  1.00 11.91           C
ATOM    170  C   LYS A  11       1.730  12.013   0.230  1.00 10.18           C
ATOM    171  O   LYS A  11       1.855  10.889   0.713  1.00  9.10           O
ATOM    172  CB  LYS A  11       3.277  12.503  -1.604  1.00 13.43           C
ATOM    173  CG  LYS A  11       2.443  13.050  -2.764  1.00 16.69           C
ATOM    174  CD  LYS A  11       2.831  12.457  -4.120  1.00 17.92           C
ATOM    175  CE  LYS A  11       1.709  12.348  -5.153  1.00 20.81           C
ATOM    176  NZ  LYS A  11       1.287  13.728  -5.481  1.00 21.93           N
ATOM      0  H   LYS A  11       4.290  11.696   0.744  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       2.646  13.936  -0.154  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       4.306  12.828  -1.757  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       3.272  11.416  -1.679  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       1.390  12.845  -2.573  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       2.555  14.134  -2.804  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       3.630  13.065  -4.544  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       3.242  11.461  -3.954  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       2.056  11.828  -6.046  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       0.873  11.773  -4.755  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       0.569  13.702  -6.233  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       0.885  14.179  -4.634  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       2.110  14.274  -5.807  1.00 21.93           H   new
ATOM    190  N   THR A  12       0.472  12.482   0.138  1.00  9.63           N
ATOM    191  CA  THR A  12      -0.665  11.615   0.110  1.00  9.85           C
ATOM    192  C   THR A  12      -0.876  11.160  -1.293  1.00 11.66           C
ATOM    193  O   THR A  12      -1.126  11.941  -2.209  1.00 12.33           O
ATOM    194  CB  THR A  12      -1.922  12.167   0.714  1.00 10.85           C
ATOM    195  OG1 THR A  12      -1.707  12.692   2.015  1.00 10.91           O
ATOM    196  CG2 THR A  12      -2.986  11.059   0.795  1.00  9.63           C
ATOM      0  H   THR A  12       0.241  13.474   0.082  1.00  9.63           H   new
ATOM      0  HA  THR A  12      -0.433  10.774   0.763  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -2.259  12.981   0.072  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -2.551  13.042   2.370  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -3.898  11.462   1.234  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -3.200  10.686  -0.207  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -2.615  10.243   1.415  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -0.765   9.846  -1.557  1.00 10.42           N
ATOM    205  CA  ILE A  13      -1.253   9.181  -2.725  1.00 11.84           C
ATOM    206  C   ILE A  13      -2.670   8.850  -2.406  1.00 10.55           C
ATOM    207  O   ILE A  13      -2.958   8.187  -1.410  1.00 11.92           O
ATOM    208  CB  ILE A  13      -0.531   7.890  -2.977  1.00 14.86           C
ATOM    209  CG1 ILE A  13       0.983   8.141  -2.878  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.818   7.513  -4.440  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.780   6.849  -3.051  1.00 16.46           C
ATOM      0  H   ILE A  13      -0.303   9.206  -0.911  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -1.122   9.811  -3.605  1.00 11.84           H   new
ATOM      0  HB  ILE A  13      -0.843   7.123  -2.268  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.284   8.860  -3.640  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       1.216   8.586  -1.911  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13      -0.315   6.576  -4.680  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.892   7.394  -4.581  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.451   8.301  -5.098  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       2.846   7.066  -2.975  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       1.497   6.140  -2.273  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       1.566   6.418  -4.029  1.00 16.46           H   new
ATOM    223  N   THR A  14      -3.651   9.413  -3.134  1.00  9.39           N
ATOM    224  CA  THR A  14      -5.025   9.259  -2.773  1.00  9.63           C
ATOM    225  C   THR A  14      -5.668   8.309  -3.724  1.00 11.20           C
ATOM    226  O   THR A  14      -6.031   8.594  -4.864  1.00 11.63           O
ATOM    227  CB  THR A  14      -5.825  10.521  -2.902  1.00 10.38           C
ATOM    228  OG1 THR A  14      -5.276  11.481  -2.011  1.00 16.30           O
ATOM    229  CG2 THR A  14      -7.279  10.254  -2.479  1.00 11.66           C
ATOM      0  H   THR A  14      -3.493   9.974  -3.971  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -5.021   8.928  -1.735  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -5.798  10.875  -3.933  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -5.782  12.317  -2.079  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -7.860  11.172  -2.573  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.709   9.485  -3.121  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -7.300   9.916  -1.443  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.734   7.053  -3.245  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.960   5.903  -4.064  1.00  9.03           C
ATOM    239  C   LEU A  15      -7.357   5.398  -3.953  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.842   5.097  -2.863  1.00  7.79           O
ATOM    241  CB  LEU A  15      -5.105   4.731  -3.553  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.638   4.916  -3.974  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.958   3.968  -2.971  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -3.387   4.536  -5.443  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.626   6.831  -2.255  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -5.727   6.212  -5.083  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -5.173   4.669  -2.467  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -5.489   3.792  -3.951  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -3.274   5.943  -3.943  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.880   3.978  -3.134  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -3.174   4.298  -1.955  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -3.337   2.956  -3.112  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -2.335   4.687  -5.683  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -3.648   3.489  -5.598  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -4.000   5.162  -6.091  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -8.053   5.475  -5.101  1.00 11.04           N
ATOM    257  CA  GLU A  16      -9.341   4.877  -5.274  1.00 11.50           C
ATOM    258  C   GLU A  16      -9.283   3.390  -5.361  1.00 10.13           C
ATOM    259  O   GLU A  16      -8.583   2.906  -6.249  1.00  9.83           O
ATOM    260  CB  GLU A  16      -9.900   5.537  -6.545  1.00 17.22           C
ATOM    261  CG  GLU A  16     -11.412   5.352  -6.687  1.00 23.33           C
ATOM    262  CD  GLU A  16     -12.249   5.839  -5.513  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -12.255   7.067  -5.231  1.00 28.90           O
ATOM    264  OE2 GLU A  16     -13.132   5.031  -5.120  1.00 28.86           O
ATOM      0  H   GLU A  16      -7.713   5.964  -5.929  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -9.989   5.046  -4.414  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -9.668   6.602  -6.529  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.402   5.115  -7.418  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16     -11.741   5.874  -7.585  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16     -11.617   4.293  -6.841  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -9.916   2.610  -4.467  1.00  8.99           N
ATOM    272  CA  VAL A  17      -9.940   1.181  -4.421  1.00  8.85           C
ATOM    273  C   VAL A  17     -11.331   0.718  -4.155  1.00  8.04           C
ATOM    274  O   VAL A  17     -12.278   1.447  -3.865  1.00  8.99           O
ATOM    275  CB  VAL A  17      -8.962   0.611  -3.437  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -7.541   1.174  -3.614  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -9.311   1.002  -1.991  1.00 10.54           C
ATOM      0  H   VAL A  17     -10.460   3.019  -3.708  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -9.619   0.807  -5.393  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -9.010  -0.463  -3.619  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -6.877   0.725  -2.875  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -7.179   0.941  -4.615  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -7.558   2.255  -3.477  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -8.578   0.569  -1.310  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -9.299   2.088  -1.895  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17     -10.304   0.627  -1.742  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -11.547  -0.609  -4.129  1.00  7.29           N
ATOM    288  CA  GLU A  18     -12.765  -1.255  -3.751  1.00  7.08           C
ATOM    289  C   GLU A  18     -12.358  -2.155  -2.635  1.00  6.45           C
ATOM    290  O   GLU A  18     -11.163  -2.369  -2.439  1.00  5.28           O
ATOM    291  CB  GLU A  18     -13.238  -1.989  -5.017  1.00 10.28           C
ATOM    292  CG  GLU A  18     -13.837  -1.084  -6.095  1.00 12.65           C
ATOM    293  CD  GLU A  18     -14.151  -1.778  -7.413  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.211  -1.904  -8.243  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -15.307  -2.170  -7.724  1.00 18.17           O
ATOM      0  H   GLU A  18     -10.820  -1.275  -4.390  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -13.586  -0.623  -3.411  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -12.393  -2.530  -5.444  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.982  -2.733  -4.732  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -14.754  -0.640  -5.708  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -13.143  -0.266  -6.288  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -13.251  -2.722  -1.880  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.978  -3.608  -0.785  1.00  7.07           C
ATOM    304  C   PRO A  19     -12.593  -4.993  -1.177  1.00  6.65           C
ATOM    305  O   PRO A  19     -12.081  -5.738  -0.343  1.00  6.37           O
ATOM    306  CB  PRO A  19     -14.231  -3.619   0.087  1.00  7.61           C
ATOM    307  CG  PRO A  19     -15.365  -2.949  -0.704  1.00  8.16           C
ATOM    308  CD  PRO A  19     -14.583  -2.150  -1.759  1.00  7.49           C
ATOM      0  HA  PRO A  19     -12.101  -3.236  -0.255  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -14.503  -4.641   0.351  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -14.051  -3.086   1.020  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -16.034  -3.680  -1.158  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.978  -2.304  -0.074  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -15.098  -2.185  -2.719  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -14.520  -1.101  -1.469  1.00  7.49           H   new
ATOM    316  N   SER A  20     -12.933  -5.356  -2.426  1.00  6.80           N
ATOM    317  CA  SER A  20     -12.516  -6.568  -3.061  1.00  6.28           C
ATOM    318  C   SER A  20     -11.146  -6.622  -3.644  1.00  8.45           C
ATOM    319  O   SER A  20     -10.615  -7.651  -4.060  1.00  7.26           O
ATOM    320  CB  SER A  20     -13.486  -7.026  -4.164  1.00  8.57           C
ATOM    321  OG  SER A  20     -13.244  -8.363  -4.576  1.00 11.13           O
ATOM      0  H   SER A  20     -13.526  -4.778  -3.021  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -12.513  -7.235  -2.199  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -14.510  -6.940  -3.802  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.395  -6.362  -5.023  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -12.279  -8.510  -4.658  1.00 11.13           H   new
ATOM    327  N   ASP A  21     -10.495  -5.457  -3.809  1.00  7.50           N
ATOM    328  CA  ASP A  21      -9.285  -5.357  -4.564  1.00  7.70           C
ATOM    329  C   ASP A  21      -8.223  -5.993  -3.736  1.00  7.08           C
ATOM    330  O   ASP A  21      -8.268  -5.914  -2.509  1.00  8.11           O
ATOM    331  CB  ASP A  21      -8.846  -3.898  -4.772  1.00 11.00           C
ATOM    332  CG  ASP A  21      -9.520  -3.207  -5.949  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -9.638  -3.856  -7.022  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -9.850  -1.997  -5.823  1.00 18.03           O
ATOM      0  H   ASP A  21     -10.813  -4.572  -3.413  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -9.441  -5.821  -5.538  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -9.057  -3.333  -3.864  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -7.766  -3.872  -4.919  1.00 11.00           H   new
ATOM    339  N   THR A  22      -7.249  -6.676  -4.363  1.00  5.37           N
ATOM    340  CA  THR A  22      -6.195  -7.240  -3.578  1.00  6.01           C
ATOM    341  C   THR A  22      -5.138  -6.237  -3.266  1.00  8.01           C
ATOM    342  O   THR A  22      -4.994  -5.208  -3.924  1.00  8.11           O
ATOM    343  CB  THR A  22      -5.543  -8.455  -4.169  1.00  8.92           C
ATOM    344  OG1 THR A  22      -5.209  -8.105  -5.503  1.00 10.22           O
ATOM    345  CG2 THR A  22      -6.581  -9.585  -4.279  1.00  9.65           C
ATOM      0  H   THR A  22      -7.189  -6.834  -5.369  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -6.700  -7.560  -2.667  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -4.691  -8.769  -3.567  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -4.775  -8.866  -5.942  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -6.111 -10.470  -4.708  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -6.966  -9.823  -3.287  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -7.402  -9.264  -4.919  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -4.323  -6.394  -2.208  1.00  8.32           N
ATOM    354  CA  ILE A  23      -3.377  -5.432  -1.732  1.00  9.92           C
ATOM    355  C   ILE A  23      -2.172  -5.256  -2.591  1.00 10.01           C
ATOM    356  O   ILE A  23      -1.401  -4.299  -2.653  1.00  8.71           O
ATOM    357  CB  ILE A  23      -2.989  -5.885  -0.356  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -4.159  -5.920   0.642  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -1.957  -4.911   0.237  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.821  -6.629   1.953  1.00 12.30           C
ATOM      0  H   ILE A  23      -4.325  -7.247  -1.649  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -3.844  -4.447  -1.742  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -2.603  -6.896  -0.485  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -4.471  -4.899   0.860  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -5.008  -6.420   0.176  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -1.677  -5.242   1.237  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23      -1.072  -4.887  -0.399  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -2.390  -3.912   0.294  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.692  -6.616   2.609  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -3.538  -7.661   1.746  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -2.992  -6.116   2.441  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -1.927  -6.304  -3.398  1.00  9.54           N
ATOM    373  CA  GLU A  24      -1.161  -6.278  -4.605  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.669  -5.337  -5.642  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.938  -4.578  -6.277  1.00 10.62           O
ATOM    376  CB  GLU A  24      -1.080  -7.677  -5.238  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.050  -7.838  -6.257  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.104  -9.191  -6.952  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -0.979  -9.597  -7.452  1.00 34.80           O
ATOM    380  OE2 GLU A  24       1.163  -9.874  -6.962  1.00 36.51           O
ATOM      0  H   GLU A  24      -2.290  -7.234  -3.191  1.00  9.54           H   new
ATOM      0  HA  GLU A  24      -0.179  -5.925  -4.291  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.949  -8.415  -4.447  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -2.029  -7.899  -5.726  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -0.052  -7.061  -7.015  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.001  -7.668  -5.752  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.950  -5.414  -6.043  1.00  9.43           N
ATOM    388  CA  ASN A  25      -3.547  -4.472  -6.938  1.00 10.96           C
ATOM    389  C   ASN A  25      -3.373  -3.035  -6.583  1.00  9.68           C
ATOM    390  O   ASN A  25      -3.168  -2.158  -7.421  1.00  9.33           O
ATOM    391  CB  ASN A  25      -5.044  -4.826  -6.926  1.00 16.78           C
ATOM    392  CG  ASN A  25      -5.738  -4.098  -8.068  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -6.216  -2.969  -7.964  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -5.863  -4.840  -9.200  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.587  -6.150  -5.737  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -3.058  -4.556  -7.909  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -5.176  -5.903  -7.031  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -5.490  -4.542  -5.973  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -6.368  -4.464 -10.003  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -5.452  -5.772  -9.247  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -3.330  -2.762  -5.267  1.00  6.52           N
ATOM    402  CA  VAL A  26      -3.041  -1.517  -4.625  1.00  5.53           C
ATOM    403  C   VAL A  26      -1.629  -1.138  -4.916  1.00  4.42           C
ATOM    404  O   VAL A  26      -1.409  -0.082  -5.507  1.00  3.40           O
ATOM    405  CB  VAL A  26      -3.373  -1.513  -3.163  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -3.350  -0.052  -2.685  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -4.777  -2.081  -2.891  1.00  8.12           C
ATOM      0  H   VAL A  26      -3.518  -3.494  -4.582  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -3.696  -0.750  -5.039  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -2.647  -2.135  -2.639  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -3.588  -0.013  -1.622  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -2.358   0.369  -2.850  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -4.087   0.525  -3.243  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.977  -2.060  -1.820  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -5.521  -1.477  -3.411  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.829  -3.109  -3.249  1.00  8.12           H   new
ATOM    417  N   LYS A  27      -0.624  -1.995  -4.663  1.00  2.64           N
ATOM    418  CA  LYS A  27       0.759  -1.723  -4.905  1.00  4.14           C
ATOM    419  C   LYS A  27       1.072  -1.560  -6.353  1.00  5.58           C
ATOM    420  O   LYS A  27       1.808  -0.636  -6.696  1.00  4.11           O
ATOM    421  CB  LYS A  27       1.651  -2.857  -4.373  1.00  3.97           C
ATOM    422  CG  LYS A  27       1.594  -2.999  -2.851  1.00  7.45           C
ATOM    423  CD  LYS A  27       1.976  -4.329  -2.198  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.479  -4.611  -2.175  1.00 12.90           C
ATOM    425  NZ  LYS A  27       3.762  -5.810  -1.356  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.784  -2.923  -4.271  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       0.961  -0.788  -4.383  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       1.346  -3.797  -4.832  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       2.682  -2.674  -4.677  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.242  -2.231  -2.428  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       0.576  -2.764  -2.540  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       1.601  -4.339  -1.175  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       1.475  -5.138  -2.729  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       3.844  -4.762  -3.191  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       4.012  -3.751  -1.769  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.673  -6.220  -1.644  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       3.805  -5.542  -0.352  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       3.007  -6.512  -1.495  1.00 15.47           H   new
ATOM    439  N   ALA A  28       0.405  -2.318  -7.242  1.00  6.61           N
ATOM    440  CA  ALA A  28       0.450  -2.125  -8.659  1.00  7.74           C
ATOM    441  C   ALA A  28      -0.157  -0.829  -9.073  1.00  9.17           C
ATOM    442  O   ALA A  28       0.402  -0.102  -9.892  1.00 11.45           O
ATOM    443  CB  ALA A  28      -0.147  -3.364  -9.347  1.00  7.68           C
ATOM      0  H   ALA A  28      -0.190  -3.098  -6.962  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       1.485  -2.037  -8.991  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28      -0.118  -3.229 -10.428  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.434  -4.246  -9.076  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -1.180  -3.497  -9.025  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -1.298  -0.317  -8.578  1.00  8.96           N
ATOM    450  CA  LYS A  29      -1.909   0.968  -8.719  1.00  7.90           C
ATOM    451  C   LYS A  29      -1.006   2.104  -8.379  1.00  6.92           C
ATOM    452  O   LYS A  29      -0.895   3.085  -9.112  1.00  6.87           O
ATOM    453  CB  LYS A  29      -3.276   1.014  -8.015  1.00 10.28           C
ATOM    454  CG  LYS A  29      -4.134   2.213  -8.421  1.00 14.94           C
ATOM    455  CD  LYS A  29      -5.548   2.072  -7.854  1.00 19.69           C
ATOM    456  CE  LYS A  29      -6.486   1.310  -8.792  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -7.897   1.255  -8.351  1.00 24.98           N
ATOM      0  H   LYS A  29      -1.880  -0.907  -7.983  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -2.105   1.112  -9.781  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -3.821   0.096  -8.237  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -3.119   1.039  -6.937  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -3.679   3.134  -8.057  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -4.177   2.287  -9.508  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -5.501   1.555  -6.895  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -5.959   3.063  -7.662  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -6.446   1.774  -9.778  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.115   0.291  -8.904  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -8.198   0.263  -8.272  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -7.990   1.719  -7.425  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -8.497   1.744  -9.045  1.00 24.98           H   new
ATOM    471  N   ILE A  30      -0.230   2.015  -7.284  1.00  4.57           N
ATOM    472  CA  ILE A  30       0.799   2.914  -6.861  1.00  5.58           C
ATOM    473  C   ILE A  30       1.952   2.957  -7.804  1.00  7.26           C
ATOM    474  O   ILE A  30       2.436   4.066  -8.024  1.00  9.46           O
ATOM    475  CB  ILE A  30       1.256   2.604  -5.466  1.00  5.36           C
ATOM    476  CG1 ILE A  30       0.143   2.926  -4.454  1.00  2.94           C
ATOM    477  CG2 ILE A  30       2.516   3.372  -5.032  1.00  2.78           C
ATOM    478  CD1 ILE A  30       0.266   2.077  -3.190  1.00  2.00           C
ATOM      0  H   ILE A  30      -0.335   1.237  -6.633  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       0.356   3.910  -6.863  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       1.499   1.541  -5.478  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       0.187   3.982  -4.189  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30      -0.829   2.753  -4.915  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       2.780   3.091  -4.012  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       3.341   3.126  -5.701  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       2.322   4.444  -5.074  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30      -0.538   2.334  -2.500  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       0.196   1.021  -3.452  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       1.228   2.269  -2.715  1.00  2.00           H   new
ATOM    490  N   GLN A  31       2.326   1.914  -8.567  1.00  7.06           N
ATOM    491  CA  GLN A  31       3.258   1.996  -9.648  1.00  8.67           C
ATOM    492  C   GLN A  31       2.614   2.689 -10.799  1.00 10.90           C
ATOM    493  O   GLN A  31       3.209   3.563 -11.427  1.00  9.63           O
ATOM    494  CB  GLN A  31       3.743   0.642 -10.193  1.00  9.12           C
ATOM    495  CG  GLN A  31       4.870   0.688 -11.226  1.00 10.76           C
ATOM    496  CD  GLN A  31       5.281  -0.735 -11.576  1.00 13.78           C
ATOM    497  OE1 GLN A  31       4.660  -1.692 -11.116  1.00 14.48           O
ATOM    498  NE2 GLN A  31       6.484  -0.766 -12.210  1.00 14.76           N
ATOM      0  H   GLN A  31       1.962   0.972  -8.424  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       4.117   2.524  -9.234  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.076   0.035  -9.351  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       2.891   0.129 -10.639  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       4.539   1.215 -12.121  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       5.722   1.239 -10.829  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       6.903   0.099 -12.551  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       6.967  -1.654 -12.345  1.00 14.76           H   new
ATOM    507  N   ASP A  32       1.368   2.346 -11.173  1.00 10.93           N
ATOM    508  CA  ASP A  32       0.697   3.023 -12.239  1.00 14.01           C
ATOM    509  C   ASP A  32       0.504   4.486 -12.033  1.00 14.04           C
ATOM    510  O   ASP A  32       0.525   5.241 -13.005  1.00 13.39           O
ATOM    511  CB  ASP A  32      -0.605   2.279 -12.580  1.00 18.01           C
ATOM    512  CG  ASP A  32      -1.012   2.471 -14.034  1.00 24.33           C
ATOM    513  OD1 ASP A  32      -0.147   2.432 -14.949  1.00 26.29           O
ATOM    514  OD2 ASP A  32      -2.256   2.614 -14.177  1.00 25.17           O
ATOM      0  H   ASP A  32       0.826   1.600 -10.737  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       1.359   2.991 -13.104  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32      -0.478   1.216 -12.377  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32      -1.405   2.634 -11.930  1.00 18.01           H   new
ATOM    519  N   LYS A  33       0.225   4.955 -10.804  1.00 14.22           N
ATOM    520  CA  LYS A  33       0.223   6.362 -10.546  1.00 14.00           C
ATOM    521  C   LYS A  33       1.512   7.025 -10.203  1.00 12.37           C
ATOM    522  O   LYS A  33       1.850   8.012 -10.855  1.00 12.17           O
ATOM    523  CB  LYS A  33      -0.694   6.579  -9.330  1.00 18.62           C
ATOM    524  CG  LYS A  33      -1.255   7.992  -9.157  1.00 24.00           C
ATOM    525  CD  LYS A  33      -1.815   8.652 -10.419  1.00 27.61           C
ATOM    526  CE  LYS A  33      -2.456  10.012 -10.137  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -3.448  10.350 -11.182  1.00 30.06           N
ATOM      0  H   LYS A  33       0.004   4.370  -9.998  1.00 14.22           H   new
ATOM      0  HA  LYS A  33      -0.082   6.809 -11.492  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33      -1.530   5.884  -9.402  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33      -0.138   6.317  -8.430  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33      -2.046   7.958  -8.408  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33      -0.465   8.629  -8.758  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -1.012   8.777 -11.146  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -2.555   7.992 -10.871  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -2.940   9.996  -9.161  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -1.685  10.782 -10.098  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -3.871  11.276 -10.972  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -2.977  10.386 -12.109  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -4.193   9.625 -11.201  1.00 30.06           H   new
ATOM    541  N   GLU A  34       2.309   6.543  -9.232  1.00 10.11           N
ATOM    542  CA  GLU A  34       3.543   7.148  -8.837  1.00 10.07           C
ATOM    543  C   GLU A  34       4.827   6.544  -9.294  1.00  9.32           C
ATOM    544  O   GLU A  34       5.887   7.149  -9.146  1.00 11.61           O
ATOM    545  CB  GLU A  34       3.539   7.156  -7.299  1.00 14.77           C
ATOM    546  CG  GLU A  34       2.629   8.238  -6.716  1.00 18.75           C
ATOM    547  CD  GLU A  34       3.010   9.653  -7.129  1.00 22.28           C
ATOM    548  OE1 GLU A  34       4.001  10.223  -6.599  1.00 25.19           O
ATOM    549  OE2 GLU A  34       2.196  10.178  -7.934  1.00 21.95           O
ATOM      0  H   GLU A  34       2.085   5.700  -8.702  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       3.548   8.120  -9.330  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       3.215   6.181  -6.936  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       4.556   7.309  -6.938  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       1.603   8.043  -7.028  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       2.650   8.169  -5.628  1.00 18.75           H   new
ATOM    556  N   GLY A  35       4.864   5.360  -9.930  1.00  7.22           N
ATOM    557  CA  GLY A  35       6.023   4.630 -10.340  1.00  6.29           C
ATOM    558  C   GLY A  35       6.926   4.217  -9.229  1.00  6.93           C
ATOM    559  O   GLY A  35       8.138   4.364  -9.376  1.00  7.41           O
ATOM      0  H   GLY A  35       4.004   4.871 -10.179  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       5.702   3.739 -10.879  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       6.590   5.241 -11.043  1.00  6.29           H   new
ATOM    563  N   ILE A  36       6.417   3.566  -8.167  1.00  5.86           N
ATOM    564  CA  ILE A  36       7.117   2.848  -7.148  1.00  6.07           C
ATOM    565  C   ILE A  36       6.823   1.395  -7.302  1.00  6.36           C
ATOM    566  O   ILE A  36       5.694   1.050  -6.958  1.00  6.18           O
ATOM    567  CB  ILE A  36       6.635   3.361  -5.823  1.00  7.47           C
ATOM    568  CG1 ILE A  36       6.916   4.868  -5.698  1.00  8.52           C
ATOM    569  CG2 ILE A  36       7.408   2.632  -4.711  1.00  7.36           C
ATOM    570  CD1 ILE A  36       6.307   5.447  -4.422  1.00  9.49           C
ATOM      0  H   ILE A  36       5.410   3.542  -8.009  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       8.196   2.988  -7.220  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       5.562   3.186  -5.739  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       7.992   5.040  -5.699  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       6.509   5.388  -6.565  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       7.072   2.991  -3.738  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       7.226   1.560  -4.784  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36       8.475   2.828  -4.821  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       6.525   6.514  -4.366  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       5.227   5.297  -4.434  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       6.734   4.944  -3.554  1.00  9.49           H   new
ATOM    582  N   PRO A  37       7.700   0.560  -7.774  1.00  8.65           N
ATOM    583  CA  PRO A  37       7.305  -0.789  -8.059  1.00  9.18           C
ATOM    584  C   PRO A  37       7.054  -1.705  -6.911  1.00  9.85           C
ATOM    585  O   PRO A  37       7.617  -1.443  -5.850  1.00  8.51           O
ATOM    586  CB  PRO A  37       8.449  -1.357  -8.897  1.00 11.42           C
ATOM    587  CG  PRO A  37       9.050  -0.118  -9.579  1.00  9.27           C
ATOM    588  CD  PRO A  37       8.940   0.915  -8.448  1.00  8.33           C
ATOM      0  HA  PRO A  37       6.328  -0.736  -8.539  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37       9.184  -1.869  -8.276  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37       8.089  -2.081  -9.628  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      10.081  -0.279  -9.893  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37       8.489   0.179 -10.465  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37       9.793   0.860  -7.772  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37       8.907   1.933  -8.837  1.00  8.33           H   new
ATOM    596  N   PRO A  38       6.324  -2.781  -6.926  1.00  8.71           N
ATOM    597  CA  PRO A  38       5.880  -3.382  -5.703  1.00  9.08           C
ATOM    598  C   PRO A  38       6.862  -4.093  -4.837  1.00  9.28           C
ATOM    599  O   PRO A  38       6.519  -4.270  -3.670  1.00  6.50           O
ATOM    600  CB  PRO A  38       4.928  -4.471  -6.193  1.00 10.31           C
ATOM    601  CG  PRO A  38       4.365  -3.937  -7.520  1.00 10.81           C
ATOM    602  CD  PRO A  38       5.668  -3.356  -8.091  1.00 12.00           C
ATOM      0  HA  PRO A  38       5.515  -2.568  -5.077  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       5.450  -5.417  -6.338  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       4.132  -4.654  -5.471  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       3.939  -4.721  -8.147  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       3.590  -3.184  -7.380  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       6.281  -4.128  -8.557  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       5.471  -2.602  -8.853  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.058  -4.445  -5.343  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.210  -4.751  -4.553  1.00 14.96           C
ATOM    612  C   ASP A  39       9.852  -3.706  -3.707  1.00 13.99           C
ATOM    613  O   ASP A  39      10.569  -4.090  -2.784  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.315  -5.319  -5.459  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.413  -6.217  -4.909  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.984  -7.262  -4.351  1.00 35.55           O
ATOM    617  OD2 ASP A  39      12.621  -5.979  -5.177  1.00 34.22           O
ATOM      0  H   ASP A  39       8.229  -4.519  -6.346  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.776  -5.440  -3.829  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39       9.818  -5.877  -6.253  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      10.808  -4.468  -5.928  1.00 24.16           H   new
ATOM    622  N   GLN A  40       9.743  -2.390  -3.963  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.183  -1.368  -3.065  1.00 10.76           C
ATOM    624  C   GLN A  40       9.332  -1.211  -1.852  1.00  8.01           C
ATOM    625  O   GLN A  40       9.686  -0.604  -0.842  1.00  8.96           O
ATOM    626  CB  GLN A  40      10.341  -0.056  -3.852  1.00 11.14           C
ATOM    627  CG  GLN A  40      11.195  -0.086  -5.121  1.00 14.85           C
ATOM    628  CD  GLN A  40      11.474   1.383  -5.401  1.00 16.11           C
ATOM    629  OE1 GLN A  40      10.867   1.993  -6.280  1.00 20.52           O
ATOM    630  NE2 GLN A  40      12.511   1.840  -4.649  1.00 18.16           N
ATOM      0  H   GLN A  40       9.335  -2.025  -4.824  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.148  -1.671  -2.660  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40       9.345   0.293  -4.126  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      10.766   0.689  -3.180  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.117  -0.647  -4.970  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      10.666  -0.558  -5.949  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      12.936   1.236  -3.945  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      12.864   2.787  -4.789  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.030  -1.529  -1.962  1.00  6.52           N
ATOM    640  CA  GLN A  41       6.979  -1.082  -1.101  1.00  3.87           C
ATOM    641  C   GLN A  41       6.750  -1.910   0.116  1.00  4.79           C
ATOM    642  O   GLN A  41       6.554  -3.116  -0.025  1.00  6.34           O
ATOM    643  CB  GLN A  41       5.622  -0.928  -1.807  1.00  4.20           C
ATOM    644  CG  GLN A  41       5.566  -0.060  -3.066  1.00  3.20           C
ATOM    645  CD  GLN A  41       4.146   0.173  -3.562  1.00  4.89           C
ATOM    646  OE1 GLN A  41       3.168   0.214  -2.817  1.00  5.21           O
ATOM    647  NE2 GLN A  41       3.959   0.249  -4.907  1.00  7.13           N
ATOM      0  H   GLN A  41       7.689  -2.140  -2.704  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       7.361  -0.109  -0.792  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.267  -1.924  -2.071  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       4.914  -0.518  -1.086  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.036   0.902  -2.859  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       6.148  -0.536  -3.855  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       4.761   0.216  -5.536  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       3.017   0.339  -5.287  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.620  -1.242   1.276  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.144  -1.820   2.494  1.00  6.97           C
ATOM    658  C   ARG A  42       5.008  -0.997   2.996  1.00  7.15           C
ATOM    659  O   ARG A  42       5.138   0.114   3.510  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.270  -1.936   3.535  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.811  -2.471   4.893  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.977  -2.935   5.766  1.00 26.14           C
ATOM    663  NE  ARG A  42       8.553  -4.166   5.154  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.440  -4.993   5.781  1.00 34.32           C
ATOM    665  NH1 ARG A  42      10.323  -4.565   6.730  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.694  -6.172   5.141  1.00 36.39           N
ATOM      0  H   ARG A  42       6.858  -0.254   1.369  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.795  -2.836   2.307  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.048  -2.591   3.142  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.722  -0.954   3.677  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       6.256  -1.693   5.417  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.124  -3.303   4.738  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.735  -2.154   5.836  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       7.635  -3.139   6.781  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       8.266  -4.406   4.205  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.342  -3.582   7.003  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.964  -5.228   7.166  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       9.232  -6.382   4.256  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42      10.346  -6.843   5.547  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.813  -1.602   2.872  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.561  -1.027   3.256  1.00  3.51           C
ATOM    682  C   LEU A  43       2.320  -1.332   4.694  1.00  5.56           C
ATOM    683  O   LEU A  43       2.297  -2.501   5.075  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.343  -1.419   2.403  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.510  -0.783   1.012  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.486  -1.444   0.074  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.194   0.717   1.133  1.00  9.55           C
ATOM      0  H   LEU A  43       3.716  -2.540   2.484  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.659   0.044   3.079  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.270  -2.503   2.320  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.422  -1.072   2.872  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.521  -0.920   0.627  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.577  -1.015  -0.924  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.675  -2.516   0.027  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.521  -1.269   0.453  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       1.305   1.192   0.158  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.170   0.846   1.485  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       1.882   1.178   1.842  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.282  -0.399   5.662  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.962  -0.678   7.028  1.00  5.55           C
ATOM    701  C   ILE A  44       0.710   0.099   7.248  1.00  5.46           C
ATOM    702  O   ILE A  44       0.517   1.238   6.827  1.00  6.04           O
ATOM    703  CB  ILE A  44       3.045  -0.344   8.011  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.263  -1.246   7.751  1.00 10.31           C
ATOM    705  CG2 ILE A  44       2.659  -0.268   9.498  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.542  -0.822   8.471  1.00 13.90           C
ATOM      0  H   ILE A  44       2.481   0.586   5.487  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       1.842  -1.747   7.201  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       3.293   0.699   7.815  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       4.014  -2.264   8.052  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.457  -1.269   6.679  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       3.539  -0.018  10.090  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       1.898   0.500   9.638  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       2.265  -1.232   9.821  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.345  -1.518   8.227  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.823   0.182   8.153  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       5.372  -0.828   9.548  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -0.336  -0.458   7.885  1.00  6.75           N
ATOM    719  CA  PHE A  45      -1.494   0.201   8.406  1.00  4.70           C
ATOM    720  C   PHE A  45      -1.391   0.314   9.888  1.00  6.34           C
ATOM    721  O   PHE A  45      -1.362   1.383  10.495  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.740  -0.512   7.854  1.00  5.51           C
ATOM    723  CG  PHE A  45      -4.100  -0.065   8.269  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -4.398   1.259   8.048  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -4.941  -0.801   9.071  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -5.583   1.797   8.492  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -6.141  -0.283   9.496  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -6.471   1.017   9.194  1.00  6.84           C
ATOM      0  H   PHE A  45      -0.372  -1.464   8.050  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -1.578   1.236   8.075  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.695  -0.447   6.767  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.652  -1.567   8.115  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -3.693   1.884   7.520  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -4.655  -1.798   9.370  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -5.816   2.832   8.289  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -6.823  -0.896  10.066  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -7.422   1.423   9.506  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -1.365  -0.807  10.632  1.00  6.53           N
ATOM    739  CA  ALA A  46      -1.507  -0.824  12.055  1.00  7.15           C
ATOM    740  C   ALA A  46      -0.352  -1.551  12.652  1.00  9.00           C
ATOM    741  O   ALA A  46       0.532  -1.045  13.342  1.00 11.15           O
ATOM    742  CB  ALA A  46      -2.888  -1.462  12.278  1.00  8.99           C
ATOM      0  H   ALA A  46      -1.241  -1.735  10.228  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -1.481   0.149  12.545  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -3.093  -1.521  13.347  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -3.652  -0.853  11.795  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -2.899  -2.465  11.851  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -0.247  -2.868  12.400  1.00  9.35           N
ATOM    749  CA  GLY A  47       0.713  -3.759  12.973  1.00 11.68           C
ATOM    750  C   GLY A  47       1.147  -4.951  12.191  1.00 11.14           C
ATOM    751  O   GLY A  47       2.310  -5.252  11.927  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.876  -3.341  11.752  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       1.604  -3.177  13.207  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       0.307  -4.116  13.920  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.117  -5.708  11.774  1.00 10.47           N
ATOM    756  CA  LYS A  48       0.419  -6.985  11.206  1.00  8.82           C
ATOM    757  C   LYS A  48       1.040  -6.986   9.851  1.00  7.68           C
ATOM    758  O   LYS A  48       1.067  -5.995   9.122  1.00  6.47           O
ATOM    759  CB  LYS A  48      -0.802  -7.913  11.098  1.00  9.74           C
ATOM    760  CG  LYS A  48      -1.381  -8.493  12.391  1.00 14.14           C
ATOM    761  CD  LYS A  48      -0.407  -9.402  13.142  1.00 16.32           C
ATOM    762  CE  LYS A  48      -0.925  -9.980  14.460  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -2.144 -10.798  14.269  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.870  -5.457  11.824  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       1.151  -7.344  11.930  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -1.596  -7.362  10.594  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -0.531  -8.747  10.450  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.679  -7.674  13.046  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -2.283  -9.057  12.155  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -0.131 -10.228  12.487  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48       0.504  -8.839  13.346  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -0.147 -10.591  14.918  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -1.140  -9.166  15.153  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -2.441 -11.197  15.182  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -2.906 -10.202  13.888  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -1.943 -11.571  13.602  1.00 23.92           H   new
ATOM    777  N   GLN A  49       1.561  -8.100   9.307  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.186  -8.120   8.021  1.00  7.18           C
ATOM    779  C   GLN A  49       1.099  -8.381   7.035  1.00  8.23           C
ATOM    780  O   GLN A  49       0.221  -9.238   7.126  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.245  -9.217   7.825  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.377  -9.016   8.835  1.00 15.82           C
ATOM    783  CD  GLN A  49       5.585  -9.864   8.462  1.00 20.21           C
ATOM    784  OE1 GLN A  49       5.916  -9.763   7.147  1.00 23.23           O   flip
ATOM    785  NE2 GLN A  49       6.265 -10.467   9.290  1.00 20.67           N   flip
ATOM      0  H   GLN A  49       1.548  -9.008   9.772  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.705  -7.169   7.901  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       2.795 -10.201   7.958  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.638  -9.181   6.809  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.660  -7.964   8.867  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.032  -9.284   9.834  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       5.965 -10.508  10.264  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.130 -10.926   9.003  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.111  -7.490   6.028  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.211  -7.605   4.922  1.00  7.41           C
ATOM    796  C   LEU A  50       0.715  -8.526   3.866  1.00  8.27           C
ATOM    797  O   LEU A  50       1.858  -8.318   3.461  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.066  -6.177   4.422  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.580  -5.192   5.486  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -0.783  -3.866   4.734  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.887  -5.508   6.234  1.00  8.14           C
ATOM      0  H   LEU A  50       1.743  -6.691   5.979  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.725  -8.069   5.232  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.853  -5.776   3.994  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -0.798  -6.228   3.616  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       0.163  -5.211   6.283  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -1.150  -3.108   5.426  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50       0.166  -3.540   4.309  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -1.509  -4.009   3.934  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.101  -4.711   6.946  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.706  -5.585   5.519  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.781  -6.452   6.768  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.151  -9.492   3.510  1.00  9.43           N
ATOM    814  CA  GLU A  51      -0.065 -10.340   2.362  1.00 11.90           C
ATOM    815  C   GLU A  51      -0.481  -9.630   1.120  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.041  -8.536   1.068  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.915 -11.551   2.783  1.00 16.56           C
ATOM    818  CG  GLU A  51      -0.830 -12.709   1.787  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.568 -13.127   1.356  1.00 29.86           C
ATOM    820  OE1 GLU A  51       1.112 -12.458   0.437  1.00 33.44           O
ATOM    821  OE2 GLU A  51       1.189 -14.055   1.940  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.978  -9.695   4.072  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       0.941 -10.658   2.088  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -0.587 -11.896   3.764  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -1.955 -11.241   2.885  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51      -1.326 -13.575   2.226  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51      -1.395 -12.436   0.896  1.00 26.06           H   new
ATOM    828  N   ASP A  52      -0.150 -10.169  -0.067  1.00 12.71           N
ATOM    829  CA  ASP A  52      -0.327  -9.564  -1.350  1.00 16.56           C
ATOM    830  C   ASP A  52      -1.659  -9.958  -1.891  1.00 15.83           C
ATOM    831  O   ASP A  52      -2.517  -9.116  -2.151  1.00 17.21           O
ATOM    832  CB  ASP A  52       0.850  -9.926  -2.272  1.00 21.05           C
ATOM    833  CG  ASP A  52       2.156  -9.309  -1.793  1.00 25.12           C
ATOM    834  OD1 ASP A  52       2.159  -8.208  -1.180  1.00 25.82           O
ATOM    835  OD2 ASP A  52       3.211  -9.906  -2.137  1.00 28.37           O
ATOM      0  H   ASP A  52       0.272 -11.095  -0.133  1.00 12.71           H   new
ATOM      0  HA  ASP A  52      -0.322  -8.477  -1.274  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       0.956 -11.010  -2.317  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       0.637  -9.584  -3.285  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -1.893 -11.257  -2.148  1.00 15.00           N
ATOM    841  CA  GLY A  53      -3.045 -11.912  -2.688  1.00 11.77           C
ATOM    842  C   GLY A  53      -4.264 -11.765  -1.844  1.00 11.10           C
ATOM    843  O   GLY A  53      -5.336 -12.099  -2.345  1.00 11.25           O
ATOM      0  H   GLY A  53      -1.165 -11.942  -1.946  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -3.250 -11.510  -3.680  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -2.825 -12.972  -2.813  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.253 -11.181  -0.633  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.471 -10.968   0.084  1.00  9.05           C
ATOM    849  C   ARG A  54      -6.040  -9.626  -0.228  1.00  8.96           C
ATOM    850  O   ARG A  54      -5.373  -8.801  -0.849  1.00 11.60           O
ATOM    851  CB  ARG A  54      -5.211 -11.080   1.596  1.00  7.97           C
ATOM    852  CG  ARG A  54      -4.766 -12.511   1.907  1.00  9.62           C
ATOM    853  CD  ARG A  54      -4.664 -12.655   3.426  1.00 12.20           C
ATOM    854  NE  ARG A  54      -3.995 -13.975   3.607  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -3.113 -14.273   4.605  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -2.979 -13.559   5.761  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -2.327 -15.373   4.419  1.00 25.50           N
ATOM      0  H   ARG A  54      -3.411 -10.860  -0.155  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -6.189 -11.729  -0.221  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -4.443 -10.369   1.902  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -6.114 -10.834   2.155  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -5.481 -13.228   1.503  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -3.804 -12.721   1.439  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -4.082 -11.846   3.868  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -5.646 -12.635   3.898  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -4.213 -14.710   2.935  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -3.563 -12.739   5.924  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -2.295 -13.846   6.461  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -2.417 -15.926   3.566  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -1.650 -15.643   5.133  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.295  -9.351   0.170  1.00  9.05           N
ATOM    872  CA  THR A  55      -8.111  -8.183   0.040  1.00  9.03           C
ATOM    873  C   THR A  55      -8.019  -7.320   1.251  1.00  8.15           C
ATOM    874  O   THR A  55      -7.525  -7.678   2.320  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.520  -8.428  -0.414  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.351  -9.064   0.545  1.00 11.95           O
ATOM    877  CG2 THR A  55      -9.596  -9.464  -1.548  1.00 11.71           C
ATOM      0  H   THR A  55      -7.817 -10.074   0.665  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.685  -7.627  -0.795  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.841  -7.418  -0.668  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -9.845  -9.768   1.001  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -10.636  -9.607  -1.842  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -9.023  -9.109  -2.404  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -9.183 -10.412  -1.203  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.557  -6.088   1.224  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.709  -5.154   2.296  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.740  -5.500   3.315  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.669  -5.231   4.513  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.976  -3.776   1.667  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.881  -3.310   0.693  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -8.453  -2.286  -0.302  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.562  -2.846   1.335  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.925  -5.707   0.352  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.785  -5.167   2.874  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.929  -3.808   1.138  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.078  -3.038   2.463  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -7.576  -4.204   0.150  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -7.667  -1.965  -0.985  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -9.263  -2.744  -0.870  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.835  -1.423   0.243  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.865  -2.541   0.554  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.757  -2.003   1.998  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.128  -3.665   1.908  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.702  -6.284   2.795  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.765  -6.925   3.504  1.00  9.00           C
ATOM    906  C   SER A  57     -11.237  -7.931   4.469  1.00  9.44           C
ATOM    907  O   SER A  57     -11.597  -7.831   5.641  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.819  -7.606   2.615  1.00 10.32           C
ATOM    909  OG  SER A  57     -13.430  -6.605   1.815  1.00 13.59           O
ATOM      0  H   SER A  57     -10.737  -6.485   1.796  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.268  -6.109   4.024  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.354  -8.365   1.986  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -13.565  -8.112   3.228  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.947  -6.525   0.966  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -10.340  -8.825   4.016  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.613  -9.683   4.899  1.00  7.91           C
ATOM    917  C   ASP A  58      -9.021  -9.077   6.124  1.00  9.12           C
ATOM    918  O   ASP A  58      -9.149  -9.667   7.195  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.535 -10.416   4.083  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.248 -11.202   2.992  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.101 -12.073   3.311  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -8.936 -11.054   1.780  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.117  -8.954   3.029  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.363 -10.357   5.313  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -7.833  -9.705   3.648  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.957 -11.084   4.722  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.384  -7.901   5.975  1.00  7.97           N
ATOM    928  CA  TYR A  59      -7.770  -7.167   7.038  1.00  8.45           C
ATOM    929  C   TYR A  59      -8.676  -6.215   7.740  1.00 10.98           C
ATOM    930  O   TYR A  59      -8.182  -5.556   8.654  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.509  -6.433   6.554  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.409  -7.401   6.279  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -4.518  -7.725   7.275  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.114  -7.929   5.045  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -3.471  -8.598   7.094  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.152  -8.895   4.869  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.283  -9.222   5.883  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.331 -10.215   5.571  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.293  -7.440   5.069  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -7.498  -7.924   7.774  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.736  -5.867   5.651  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.188  -5.715   7.308  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.647  -7.272   8.247  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.657  -7.572   4.183  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -2.791  -8.795   7.909  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -4.078  -9.405   3.920  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.486 -10.013   6.025  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -9.971  -6.186   7.375  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.806  -5.197   7.982  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.447  -3.755   7.868  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.329  -3.047   8.867  1.00 14.26           O
ATOM    952  CB  ASN A  60     -11.260  -5.562   9.406  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.851  -6.955   9.564  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -13.071  -7.095   9.637  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -11.030  -8.031   9.697  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.420  -6.807   6.701  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.655  -5.259   7.302  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.406  -5.470  10.077  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -12.001  -4.832   9.731  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -11.425  -8.957   9.858  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -10.019  -7.912   9.636  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.239  -3.343   6.605  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.840  -2.016   6.251  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.941  -1.393   5.464  1.00 13.74           C
ATOM    965  O   ILE A  61     -11.229  -1.881   4.372  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.507  -1.967   5.564  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.411  -2.988   5.912  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.996  -0.524   5.710  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.084  -2.903   5.159  1.00 11.42           C
ATOM      0  H   ILE A  61     -10.353  -3.958   5.799  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.681  -1.431   7.157  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.712  -2.284   4.542  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -7.197  -2.897   6.977  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -7.821  -3.985   5.753  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -7.024  -0.431   5.225  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.702   0.161   5.241  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.899  -0.278   6.767  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.414  -3.686   5.513  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.262  -3.033   4.092  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.628  -1.929   5.334  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.538  -0.244   5.828  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.528   0.404   5.025  1.00 15.52           C
ATOM    983  C   GLN A  62     -12.069   1.704   4.461  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.857   1.877   4.340  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.729   0.624   5.960  1.00 19.53           C
ATOM    986  CG  GLN A  62     -14.000  -0.352   7.107  1.00 26.38           C
ATOM    987  CD  GLN A  62     -15.404  -0.149   7.659  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -16.046   0.900   7.657  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -16.021  -1.223   8.222  1.00 32.71           N
ATOM      0  H   GLN A  62     -11.329   0.245   6.698  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.768  -0.212   4.159  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -13.620   1.616   6.399  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -14.623   0.647   5.337  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -13.886  -1.377   6.755  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.266  -0.204   7.899  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -15.545  -2.124   8.257  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -16.960  -1.127   8.609  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.929   2.705   4.202  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.530   3.904   3.532  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.777   4.822   4.432  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.822   4.650   5.649  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.772   4.641   3.005  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.687   5.334   4.017  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -15.812   6.006   3.227  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -16.655   6.808   4.221  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -15.840   7.753   5.016  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.915   2.682   4.461  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.875   3.614   2.710  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -13.435   5.393   2.292  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -14.374   3.922   2.449  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -15.093   4.612   4.725  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.131   6.071   4.596  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -15.402   6.659   2.457  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -16.424   5.260   2.720  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -17.423   7.361   3.680  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -17.170   6.122   4.893  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -16.442   8.529   5.358  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -15.424   7.254   5.828  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -15.080   8.141   4.422  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -11.107   5.830   3.847  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -10.374   6.944   4.364  1.00 10.94           C
ATOM   1022  C   GLU A  64      -9.287   6.457   5.260  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.841   7.171   6.156  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.208   8.070   4.997  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -12.183   8.743   4.029  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -13.219   9.644   4.685  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.893  10.288   5.718  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -14.387   9.643   4.212  1.00 31.72           O
ATOM      0  H   GLU A  64     -11.080   5.860   2.828  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -9.940   7.441   3.496  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.770   7.663   5.838  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -10.533   8.825   5.400  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -11.611   9.333   3.313  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -12.702   7.970   3.463  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.795   5.218   5.081  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.811   4.512   5.840  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.473   5.059   5.480  1.00  4.72           C
ATOM   1038  O   SER A  65      -6.137   5.067   4.297  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.832   2.974   5.855  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.078   2.544   6.382  1.00 10.56           O
ATOM      0  H   SER A  65      -9.132   4.645   4.308  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -8.078   4.701   6.880  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.693   2.584   4.847  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.012   2.590   6.462  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -9.684   2.318   5.646  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.739   5.564   6.488  1.00  4.48           N
ATOM   1047  CA  THR A  66      -4.408   6.031   6.254  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.409   4.945   6.460  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.290   4.348   7.529  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.985   7.278   6.972  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.926   8.298   6.672  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -2.593   7.763   6.533  1.00  3.40           C
ATOM      0  H   THR A  66      -6.061   5.648   7.452  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -4.437   6.332   5.207  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.942   7.057   8.038  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -4.671   9.124   7.133  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -2.333   8.668   7.082  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.855   6.988   6.741  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.603   7.977   5.464  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.701   4.588   5.374  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.672   3.597   5.302  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.371   4.311   5.162  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.380   5.482   4.787  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.884   2.653   4.106  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -3.077   1.681   4.104  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.455   2.362   4.145  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.913   0.580   3.043  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.863   5.031   4.470  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.689   2.984   6.203  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.967   3.272   3.213  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.978   2.057   3.997  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.056   1.162   5.062  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -5.237   1.602   4.141  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.537   2.962   5.051  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.569   3.005   3.272  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.775  -0.086   3.073  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.840   1.035   2.055  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -2.007   0.010   3.248  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.748   3.652   5.514  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.049   4.193   5.272  1.00  4.17           C
ATOM   1081  C   HIS A  68       2.791   3.350   4.292  1.00  5.32           C
ATOM   1082  O   HIS A  68       2.816   2.121   4.337  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.756   4.477   6.608  1.00  5.57           C
ATOM   1084  CG  HIS A  68       4.054   5.226   6.549  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       4.465   6.183   5.644  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       4.988   5.276   7.536  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       5.607   6.740   6.129  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       6.002   6.167   7.251  1.00 16.30           N
ATOM      0  H   HIS A  68       0.751   2.739   5.969  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.988   5.166   4.784  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       2.070   5.039   7.241  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       2.938   3.523   7.104  1.00  5.57           H   new
ATOM      0  HD1 HIS A  68       3.998   6.428   4.771  1.00 13.74           H   new
ATOM      0  HD2 HIS A  68       4.941   4.686   8.439  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       6.130   7.556   5.652  1.00 14.75           H   new
ATOM   1096  N   LEU A  69       3.400   3.969   3.265  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.287   3.397   2.300  1.00  3.97           C
ATOM   1098  C   LEU A  69       5.643   3.830   2.741  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.182   4.920   2.556  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.000   3.990   0.910  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.120   3.936  -0.143  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.897   2.610  -0.205  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       4.449   4.193  -1.503  1.00  6.87           C
ATOM      0  H   LEU A  69       3.256   4.965   3.096  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.183   2.314   2.233  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.131   3.475   0.500  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       3.718   5.034   1.044  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       5.866   4.683   0.129  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.663   2.673  -0.978  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.368   2.419   0.759  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.211   1.797  -0.441  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       5.202   4.166  -2.291  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       3.700   3.424  -1.690  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       3.969   5.172  -1.493  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.293   2.813   3.334  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.624   2.592   3.807  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.427   1.899   2.760  1.00  9.22           C
ATOM   1118  O   VAL A  70       7.991   0.906   2.180  1.00  9.36           O
ATOM   1119  CB  VAL A  70       7.622   1.771   5.063  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.034   1.876   5.662  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       6.718   2.536   6.044  1.00  8.54           C
ATOM      0  H   VAL A  70       5.754   1.966   3.515  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.069   3.562   4.029  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       7.315   0.740   4.887  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       9.083   1.293   6.582  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.762   1.490   4.948  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       9.259   2.920   5.882  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       6.667   1.995   6.989  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.128   3.531   6.217  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       5.717   2.625   5.622  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.654   2.397   2.526  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.530   2.007   1.464  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.587   1.018   1.816  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.489   1.301   2.603  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.216   3.281   0.942  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.491   3.977  -0.222  1.00 19.37           C
ATOM   1137  CD1 LEU A  71       9.997   3.036  -1.333  1.00 19.57           C
ATOM   1138  CD2 LEU A  71       9.404   4.879   0.389  1.00 17.51           C
ATOM      0  H   LEU A  71      10.061   3.121   3.119  1.00 12.71           H   new
ATOM      0  HA  LEU A  71       9.904   1.503   0.727  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      11.312   3.988   1.766  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.226   3.027   0.621  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      11.203   4.590  -0.774  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       9.499   3.618  -2.108  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      10.846   2.506  -1.765  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71       9.295   2.315  -0.914  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       8.866   5.392  -0.408  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71       8.707   4.270   0.964  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.869   5.615   1.045  1.00 17.51           H   new