USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  55 THR OG1 :   rot  128:sc=   0.655
USER  MOD Set 1.2: A  57 SER OG  :   rot  180:sc=   0.402
USER  MOD Single : A   1 MET CE  :methyl -174:sc=  -0.717   (180deg=-0.886)
USER  MOD Single : A   1 MET N   :NH3+    180:sc=     1.3   (180deg=1.3)
USER  MOD Single : A   2 GLN     :      amide:sc=-0.00109  X(o=-0.0011,f=-0.088)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   7 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  11 LYS NZ  :NH3+   -149:sc=    1.06   (180deg=-0.995)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc= -0.0199
USER  MOD Single : A  14 THR OG1 :   rot  -73:sc=   0.443
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc= 0.00657
USER  MOD Single : A  25 ASN     :      amide:sc=  -0.203  K(o=-0.2,f=-0.97)
USER  MOD Single : A  27 LYS NZ  :NH3+   -169:sc=    1.83   (180deg=1.58)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  K(o=0,f=-1.3)
USER  MOD Single : A  33 LYS NZ  :NH3+   -161:sc=   0.584   (180deg=0.378)
USER  MOD Single : A  40 GLN     :FLIP  amide:sc=       0  F(o=-2.1!,f=0)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.442  K(o=0.44,f=-2.8)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  X(o=0,f=-0.34)
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=   0.979
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)
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot  100:sc=    1.04
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=  -0.233
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -13.132   3.065  -5.144  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.914   3.635  -3.795  1.00 10.38           C
ATOM      3  C   MET A   1     -11.597   4.305  -3.604  1.00  9.62           C
ATOM      4  O   MET A   1     -10.527   3.771  -3.893  1.00  9.62           O
ATOM      5  CB  MET A   1     -13.249   2.576  -2.732  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.372   1.323  -2.772  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.646   0.217  -1.356  1.00 17.17           S
ATOM      8  CE  MET A   1     -11.003  -0.529  -1.559  1.00 16.11           C
ATOM      0  H1  MET A   1     -14.071   2.620  -5.185  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -13.076   3.823  -5.854  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -12.402   2.351  -5.341  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.606   4.468  -3.673  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.161   3.032  -1.746  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -14.290   2.277  -2.853  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -12.569   0.778  -3.695  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -11.324   1.621  -2.796  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.894  -1.363  -0.866  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.891  -0.889  -2.582  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.236   0.217  -1.351  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.527   5.488  -2.970  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.274   6.037  -2.554  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.733   5.381  -1.330  1.00  8.72           C
ATOM     23  O   GLN A   2     -10.531   5.156  -0.421  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.381   7.564  -2.405  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.662   8.273  -3.732  1.00 17.01           C
ATOM     26  CD  GLN A   2     -10.856   9.762  -3.486  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -11.561  10.261  -2.611  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -10.215  10.556  -4.385  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.338   6.065  -2.745  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.546   5.826  -3.337  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.175   7.800  -1.697  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.453   7.949  -1.983  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.834   8.113  -4.423  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.553   7.852  -4.199  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -9.631  10.138  -5.109  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -10.318  11.570  -4.335  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.435   5.035  -1.262  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.716   4.789  -0.050  1.00  5.07           C
ATOM     39  C   ILE A   3      -6.495   5.641  -0.105  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.992   6.132  -1.114  1.00  4.61           O
ATOM     41  CB  ILE A   3      -7.432   3.332   0.171  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.415   2.696  -0.792  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -8.766   2.570   0.239  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -6.239   1.204  -0.517  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.858   4.921  -2.095  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -8.314   5.057   0.821  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -6.914   3.251   1.126  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.747   2.841  -1.820  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.454   3.201  -0.693  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -8.572   1.510   0.399  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -9.365   2.958   1.063  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -9.308   2.702  -0.697  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -5.513   0.788  -1.216  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -5.883   1.062   0.503  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -7.195   0.696  -0.641  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -6.009   5.804   1.138  1.00  4.55           N
ATOM     57  CA  PHE A   4      -4.849   6.625   1.299  1.00  4.68           C
ATOM     58  C   PHE A   4      -3.606   5.829   1.505  1.00  5.30           C
ATOM     59  O   PHE A   4      -3.728   4.776   2.129  1.00  5.58           O
ATOM     60  CB  PHE A   4      -4.926   7.561   2.517  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.895   8.676   2.322  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.705   9.661   1.381  1.00  6.69           C
ATOM     63  CD2 PHE A   4      -7.066   8.618   3.040  1.00  8.34           C
ATOM     64  CE1 PHE A   4      -6.645  10.661   1.302  1.00  9.10           C
ATOM     65  CE2 PHE A   4      -7.931   9.686   3.005  1.00 10.61           C
ATOM     66  CZ  PHE A   4      -7.740  10.730   2.130  1.00  8.90           C
ATOM      0  H   PHE A   4      -6.393   5.393   1.989  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -4.818   7.193   0.369  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -5.213   6.984   3.396  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.937   7.974   2.716  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.846   9.649   0.726  1.00  6.69           H   new
ATOM      0  HD2 PHE A   4      -7.304   7.742   3.626  1.00  8.34           H   new
ATOM      0  HE1 PHE A   4      -6.517  11.429   0.554  1.00  9.10           H   new
ATOM      0  HE2 PHE A   4      -8.776   9.706   3.677  1.00 10.61           H   new
ATOM      0  HZ  PHE A   4      -8.421  11.568   2.095  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -2.415   6.276   1.069  1.00  4.44           N
ATOM     77  CA  VAL A   5      -1.192   5.663   1.485  1.00  3.87           C
ATOM     78  C   VAL A   5      -0.310   6.711   2.071  1.00  4.93           C
ATOM     79  O   VAL A   5       0.014   7.696   1.408  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.325   4.927   0.506  1.00  2.99           C
ATOM     81  CG1 VAL A   5       0.849   4.189   1.170  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.268   4.116  -0.398  1.00  9.13           C
ATOM      0  H   VAL A   5      -2.299   7.061   0.429  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -1.572   4.887   2.150  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.233   5.602  -0.142  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.436   3.678   0.407  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.481   4.907   1.693  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.464   3.458   1.881  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.682   3.561  -1.130  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.844   3.418   0.210  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.948   4.793  -0.915  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.022   6.497   3.356  1.00  6.04           N
ATOM     93  CA  LYS A   6       0.809   7.427   4.105  1.00  6.12           C
ATOM     94  C   LYS A   6       2.268   7.126   4.140  1.00  6.57           C
ATOM     95  O   LYS A   6       2.723   6.512   5.103  1.00  5.76           O
ATOM     96  CB  LYS A   6       0.374   7.603   5.570  1.00  7.45           C
ATOM     97  CG  LYS A   6       0.924   8.821   6.315  1.00 11.12           C
ATOM     98  CD  LYS A   6       0.500   8.823   7.785  1.00 14.54           C
ATOM     99  CE  LYS A   6       0.976  10.122   8.439  1.00 18.84           C
ATOM    100  NZ  LYS A   6       0.656  10.085   9.883  1.00 20.55           N
ATOM      0  H   LYS A   6      -0.259   5.669   3.882  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       0.628   8.343   3.543  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6      -0.715   7.652   5.597  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       0.666   6.709   6.120  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       2.012   8.827   6.250  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       0.571   9.733   5.833  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -0.584   8.737   7.864  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       0.927   7.963   8.301  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       2.050  10.243   8.295  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       0.493  10.978   7.969  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       0.978  10.966  10.333  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -0.372   9.987  10.008  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       1.137   9.276  10.325  1.00 20.55           H   new
ATOM    114  N   THR A   7       3.016   7.585   3.121  1.00  7.41           N
ATOM    115  CA  THR A   7       4.443   7.500   3.140  1.00  7.48           C
ATOM    116  C   THR A   7       4.974   8.659   3.910  1.00  8.75           C
ATOM    117  O   THR A   7       4.504   9.775   3.692  1.00  8.58           O
ATOM    118  CB  THR A   7       4.963   7.697   1.746  1.00  9.61           C
ATOM    119  OG1 THR A   7       4.257   6.853   0.848  1.00 11.78           O
ATOM    120  CG2 THR A   7       6.393   7.168   1.544  1.00  9.17           C
ATOM      0  H   THR A   7       2.631   8.017   2.281  1.00  7.41           H   new
ATOM      0  HA  THR A   7       4.736   6.539   3.562  1.00  7.48           H   new
ATOM      0  HB  THR A   7       4.876   8.771   1.580  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       4.598   6.985  -0.061  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       6.704   7.344   0.514  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       7.072   7.686   2.221  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       6.418   6.099   1.753  1.00  9.17           H   new
ATOM    128  N   LEU A   8       6.034   8.461   4.714  1.00  9.84           N
ATOM    129  CA  LEU A   8       6.659   9.471   5.509  1.00 14.15           C
ATOM    130  C   LEU A   8       7.694  10.233   4.755  1.00 17.37           C
ATOM    131  O   LEU A   8       7.640  11.462   4.754  1.00 17.01           O
ATOM    132  CB  LEU A   8       7.174   8.839   6.813  1.00 16.63           C
ATOM    133  CG  LEU A   8       6.103   8.080   7.614  1.00 18.88           C
ATOM    134  CD1 LEU A   8       6.823   7.528   8.855  1.00 18.59           C
ATOM    135  CD2 LEU A   8       4.839   8.860   8.014  1.00 19.31           C
ATOM      0  H   LEU A   8       6.478   7.548   4.814  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       5.921  10.227   5.776  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       7.987   8.153   6.574  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       7.594   9.624   7.442  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       5.692   7.311   6.959  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       6.114   6.975   9.471  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       7.629   6.863   8.543  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       7.238   8.354   9.433  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       4.170   8.206   8.573  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8       5.118   9.711   8.636  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       4.332   9.217   7.117  1.00 19.31           H   new
ATOM    147  N   THR A   9       8.682   9.559   4.140  1.00 18.33           N
ATOM    148  CA  THR A   9       9.788  10.137   3.440  1.00 19.24           C
ATOM    149  C   THR A   9       9.363  10.316   2.023  1.00 19.48           C
ATOM    150  O   THR A   9       9.732   9.610   1.086  1.00 23.14           O
ATOM    151  CB  THR A   9      11.120   9.452   3.516  1.00 18.97           C
ATOM    152  OG1 THR A   9      11.297   9.024   4.859  1.00 20.24           O
ATOM    153  CG2 THR A   9      12.184  10.444   3.017  1.00 19.70           C
ATOM      0  H   THR A   9       8.709   8.539   4.132  1.00 18.33           H   new
ATOM      0  HA  THR A   9      10.003  11.071   3.959  1.00 19.24           H   new
ATOM      0  HB  THR A   9      11.199   8.567   2.885  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      12.160   8.568   4.946  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      13.167   9.975   3.060  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      11.962  10.729   1.988  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      12.178  11.332   3.649  1.00 19.70           H   new
ATOM    161  N   GLY A  10       8.347  11.198   2.002  1.00 19.43           N
ATOM    162  CA  GLY A  10       7.631  11.491   0.800  1.00 18.74           C
ATOM    163  C   GLY A  10       6.378  12.137   1.282  1.00 17.62           C
ATOM    164  O   GLY A  10       6.425  12.964   2.191  1.00 19.74           O
ATOM      0  H   GLY A  10       8.021  11.710   2.822  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       8.198  12.155   0.148  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       7.421  10.587   0.229  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.224  11.737   0.718  1.00 13.56           N
ATOM    169  CA  LYS A  11       3.931  12.266   1.022  1.00 11.91           C
ATOM    170  C   LYS A  11       2.785  11.313   1.028  1.00 10.18           C
ATOM    171  O   LYS A  11       3.026  10.168   0.650  1.00  9.10           O
ATOM    172  CB  LYS A  11       3.597  13.372   0.006  1.00 13.43           C
ATOM    173  CG  LYS A  11       3.320  12.843  -1.402  1.00 16.69           C
ATOM    174  CD  LYS A  11       2.813  14.041  -2.208  1.00 17.92           C
ATOM    175  CE  LYS A  11       2.866  13.755  -3.710  1.00 20.81           C
ATOM    176  NZ  LYS A  11       4.257  13.563  -4.177  1.00 21.93           N
ATOM      0  H   LYS A  11       5.193  11.003   0.010  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       4.028  12.610   2.052  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       2.725  13.925   0.356  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       4.426  14.078  -0.036  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       4.223  12.427  -1.848  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       2.578  12.045  -1.380  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       1.789  14.274  -1.915  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       3.417  14.919  -1.980  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       2.280  12.863  -3.932  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       2.409  14.581  -4.255  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       4.340  13.887  -5.162  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       4.904  14.112  -3.576  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       4.506  12.555  -4.122  1.00 21.93           H   new
ATOM    190  N   THR A  12       1.584  11.768   1.427  1.00  9.63           N
ATOM    191  CA  THR A  12       0.431  10.923   1.393  1.00  9.85           C
ATOM    192  C   THR A  12      -0.418  10.949   0.169  1.00 11.66           C
ATOM    193  O   THR A  12      -0.981  11.969  -0.224  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.503  11.236   2.524  1.00 10.85           C
ATOM    195  OG1 THR A  12       0.152  11.141   3.781  1.00 10.91           O
ATOM    196  CG2 THR A  12      -1.669  10.235   2.589  1.00  9.63           C
ATOM      0  H   THR A  12       1.412  12.713   1.770  1.00  9.63           H   new
ATOM      0  HA  THR A  12       0.896   9.939   1.446  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.859  12.249   2.335  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.483  11.352   4.497  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.325  10.494   3.421  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -2.233  10.272   1.657  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.277   9.229   2.736  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -0.540   9.817  -0.547  1.00 10.42           N
ATOM    205  CA  ILE A  13      -1.167   9.623  -1.817  1.00 11.84           C
ATOM    206  C   ILE A  13      -2.515   8.988  -1.811  1.00 10.55           C
ATOM    207  O   ILE A  13      -2.851   8.261  -0.878  1.00 11.92           O
ATOM    208  CB  ILE A  13      -0.257   8.937  -2.791  1.00 14.86           C
ATOM    209  CG1 ILE A  13       0.456   7.673  -2.281  1.00 14.87           C
ATOM    210  CG2 ILE A  13       0.827   9.938  -3.223  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.205   6.820  -3.304  1.00 16.46           C
ATOM      0  H   ILE A  13      -0.155   8.942  -0.193  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -1.359  10.644  -2.148  1.00 11.84           H   new
ATOM      0  HB  ILE A  13      -0.907   8.605  -3.601  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.167   7.976  -1.512  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13      -0.288   7.040  -1.797  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.502   9.460  -3.933  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       0.358  10.802  -3.694  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       1.391  10.263  -2.349  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       1.657   5.964  -2.803  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       0.508   6.468  -4.065  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       1.985   7.418  -3.775  1.00 16.46           H   new
ATOM    223  N   THR A  14      -3.341   9.206  -2.850  1.00  9.39           N
ATOM    224  CA  THR A  14      -4.724   8.840  -2.831  1.00  9.63           C
ATOM    225  C   THR A  14      -5.073   8.020  -4.025  1.00 11.20           C
ATOM    226  O   THR A  14      -5.030   8.477  -5.166  1.00 11.63           O
ATOM    227  CB  THR A  14      -5.663  10.009  -2.833  1.00 10.38           C
ATOM    228  OG1 THR A  14      -5.354  10.948  -1.813  1.00 16.30           O
ATOM    229  CG2 THR A  14      -7.064   9.468  -2.499  1.00 11.66           C
ATOM      0  H   THR A  14      -3.043   9.645  -3.721  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -4.845   8.286  -1.900  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -5.594  10.497  -3.805  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -5.608  10.579  -0.941  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -7.779  10.291  -2.490  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.361   8.737  -3.251  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -7.046   8.993  -1.518  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.225   6.698  -3.828  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.272   5.692  -4.843  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.660   5.206  -5.082  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.512   5.174  -4.195  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.419   4.453  -4.526  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.920   4.723  -4.314  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.305   3.363  -3.942  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.260   5.147  -5.637  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.322   6.306  -2.892  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -4.871   6.192  -5.725  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.816   3.979  -3.629  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.531   3.737  -5.341  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.775   5.501  -3.564  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.234   3.481  -3.776  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.774   2.988  -3.032  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.470   2.655  -4.754  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.199   5.335  -5.471  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.377   4.352  -6.373  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.736   6.056  -6.006  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -7.001   5.022  -6.370  1.00 11.04           N
ATOM    257  CA  GLU A  16      -8.363   4.761  -6.719  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.540   3.341  -7.135  1.00 10.13           C
ATOM    259  O   GLU A  16      -8.336   2.843  -8.240  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.785   5.787  -7.785  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.071   7.197  -7.264  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.290   8.233  -8.357  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -10.418   8.417  -8.887  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -8.290   8.923  -8.691  1.00 28.90           O
ATOM      0  H   GLU A  16      -6.350   5.053  -7.155  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -9.023   4.883  -5.860  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.998   5.849  -8.537  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.678   5.416  -8.288  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.955   7.165  -6.627  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -8.238   7.517  -6.637  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.778   2.535  -6.085  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.894   1.116  -6.213  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.295   0.608  -6.197  1.00  8.04           C
ATOM    274  O   VAL A  17     -11.209   1.406  -5.993  1.00  8.99           O
ATOM    275  CB  VAL A  17      -8.079   0.415  -5.167  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.612   0.876  -5.185  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.545   0.761  -3.742  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.892   2.875  -5.130  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.502   0.887  -7.204  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -8.194  -0.644  -5.399  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -6.054   0.345  -4.413  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.175   0.662  -6.160  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.565   1.948  -4.994  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.926   0.231  -3.018  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -8.453   1.835  -3.580  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.586   0.463  -3.617  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.445  -0.702  -6.462  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.697  -1.377  -6.308  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.472  -2.610  -5.503  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.367  -3.146  -5.447  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.307  -1.774  -7.663  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.349  -2.577  -8.546  1.00 12.65           C
ATOM    293  CD  GLU A  18     -11.859  -3.062  -9.895  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -12.652  -4.033 -10.018  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -11.329  -2.445 -10.857  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.687  -1.302  -6.788  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.392  -0.699  -5.813  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -13.209  -2.361  -7.490  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.611  -0.872  -8.195  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -10.465  -1.964  -8.724  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.023  -3.449  -7.979  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.423  -3.007  -4.710  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.099  -3.718  -3.508  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.801  -5.170  -3.657  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.262  -5.711  -2.692  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.331  -3.540  -2.623  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.467  -3.341  -3.639  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.839  -2.737  -4.906  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.169  -3.314  -3.107  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.503  -4.412  -1.992  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.229  -2.681  -1.959  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.953  -4.290  -3.865  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.233  -2.679  -3.236  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.221  -3.207  -5.813  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -14.041  -1.669  -4.991  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.922  -5.799  -4.839  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.475  -7.151  -4.971  1.00  6.28           C
ATOM    318  C   SER A  20     -10.052  -7.207  -5.412  1.00  8.45           C
ATOM    319  O   SER A  20      -9.591  -8.284  -5.787  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.258  -7.853  -6.094  1.00  8.57           C
ATOM    321  OG  SER A  20     -13.561  -8.293  -5.744  1.00 11.13           O
ATOM      0  H   SER A  20     -12.318  -5.386  -5.683  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.614  -7.622  -3.998  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -12.338  -7.170  -6.940  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -11.681  -8.713  -6.433  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.980  -8.724  -6.518  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.374  -6.048  -5.493  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.033  -6.053  -5.989  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.918  -6.258  -5.022  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.088  -6.092  -3.815  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.839  -4.749  -6.781  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.027  -4.995  -8.044  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -6.494  -6.127  -8.193  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -6.886  -4.003  -8.808  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.739  -5.134  -5.224  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -7.953  -6.955  -6.596  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -8.811  -4.331  -7.044  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -7.334  -4.012  -6.157  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.743  -6.767  -5.431  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.738  -7.296  -4.562  1.00  6.01           C
ATOM    341  C   THR A  22      -3.754  -6.252  -4.159  1.00  8.01           C
ATOM    342  O   THR A  22      -3.648  -5.180  -4.754  1.00  8.11           O
ATOM    343  CB  THR A  22      -3.933  -8.385  -5.206  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.151  -8.001  -6.328  1.00 10.22           O
ATOM    345  CG2 THR A  22      -4.838  -9.589  -5.519  1.00  9.65           C
ATOM      0  H   THR A  22      -5.481  -6.812  -6.416  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.291  -7.681  -3.705  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.181  -8.665  -4.468  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -2.666  -8.780  -6.671  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -4.247 -10.376  -5.987  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.276  -9.965  -4.594  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -5.633  -9.280  -6.198  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.994  -6.543  -3.088  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.019  -5.667  -2.517  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.937  -5.454  -3.519  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.462  -4.322  -3.606  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.491  -6.035  -1.162  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.626  -6.197  -0.138  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.311  -5.198  -0.640  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.271  -4.871   0.261  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.063  -7.434  -2.596  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.536  -4.733  -2.297  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.030  -7.012  -1.308  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.390  -6.855  -0.553  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.235  -6.686   0.754  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.018  -5.558   0.346  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.532  -5.290  -1.325  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.609  -4.152  -0.571  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.064  -5.056   0.986  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.518  -4.219   0.705  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.691  -4.391  -0.622  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.592  -6.468  -4.332  1.00  9.54           N
ATOM    373  CA  GLU A  24       0.270  -6.336  -5.465  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.109  -5.239  -6.399  1.00 11.14           C
ATOM    375  O   GLU A  24       0.752  -4.435  -6.755  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.467  -7.687  -6.174  1.00 19.24           C
ATOM    377  CG  GLU A  24       1.668  -7.744  -7.121  1.00 27.76           C
ATOM    378  CD  GLU A  24       2.980  -8.064  -6.420  1.00 32.92           C
ATOM    379  OE1 GLU A  24       3.787  -7.180  -6.029  1.00 34.80           O
ATOM    380  OE2 GLU A  24       3.349  -9.269  -6.401  1.00 36.51           O
ATOM      0  H   GLU A  24      -0.928  -7.421  -4.194  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       1.238  -6.025  -5.073  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       0.580  -8.465  -5.419  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -0.435  -7.920  -6.739  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       1.481  -8.497  -7.887  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.763  -6.786  -7.633  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.402  -5.217  -6.769  1.00  9.43           N
ATOM    388  CA  ASN A  25      -1.808  -4.128  -7.601  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.894  -2.763  -7.010  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.684  -1.750  -7.675  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.215  -4.473  -8.119  1.00 16.78           C
ATOM    392  CG  ASN A  25      -3.139  -5.562  -9.179  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -2.095  -6.133  -9.491  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.284  -5.819  -9.866  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.119  -5.897  -6.516  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.013  -4.047  -8.343  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.842  -4.805  -7.292  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.684  -3.582  -8.537  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -4.277  -6.485 -10.639  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -5.150  -5.346  -9.608  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.096  -2.665  -5.684  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.955  -1.464  -4.920  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.539  -1.008  -4.986  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.363   0.196  -5.167  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.463  -1.657  -3.522  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.233  -0.368  -2.715  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.985  -1.805  -3.682  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.372  -3.465  -5.115  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.571  -0.671  -5.344  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.978  -2.499  -3.028  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.601  -0.505  -1.698  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.167  -0.141  -2.688  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.767   0.457  -3.187  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.441  -1.951  -2.703  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.392  -0.904  -4.141  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.202  -2.665  -4.315  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.452  -1.904  -4.827  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.846  -1.659  -5.031  1.00  4.14           C
ATOM    419  C   LYS A  27       2.338  -1.064  -6.305  1.00  5.58           C
ATOM    420  O   LYS A  27       3.130  -0.123  -6.310  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.733  -2.890  -4.776  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.702  -3.362  -3.321  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.167  -4.800  -3.077  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.626  -5.174  -3.343  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.831  -6.633  -3.481  1.00 15.47           N
ATOM      0  H   LYS A  27       0.265  -2.864  -4.536  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.939  -0.874  -4.281  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.408  -3.705  -5.423  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.760  -2.654  -5.053  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.326  -2.693  -2.728  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.683  -3.261  -2.948  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       2.953  -5.041  -2.036  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       2.545  -5.453  -3.690  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.963  -4.677  -4.253  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       5.246  -4.801  -2.528  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.850  -6.843  -3.473  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       4.370  -7.125  -2.689  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.418  -6.958  -4.378  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.863  -1.658  -7.415  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.952  -1.280  -8.791  1.00  7.74           C
ATOM    441  C   ALA A  28       1.493   0.105  -9.094  1.00  9.17           C
ATOM    442  O   ALA A  28       2.156   0.884  -9.777  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.013  -2.163  -9.629  1.00  7.68           C
ATOM      0  H   ALA A  28       1.342  -2.530  -7.327  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       3.013  -1.378  -9.022  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.082  -1.874 -10.678  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.303  -3.208  -9.521  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.013  -2.034  -9.283  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.348   0.502  -8.510  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.070   1.869  -8.572  1.00  7.90           C
ATOM    451  C   LYS A  29       0.834   2.853  -7.912  1.00  6.92           C
ATOM    452  O   LYS A  29       1.157   3.894  -8.480  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.457   2.113  -7.954  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.584   1.524  -8.805  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.957   1.960  -8.288  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.252   1.283  -8.739  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.479   1.582 -10.171  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.283  -0.116  -8.000  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.066   2.035  -9.649  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.490   1.674  -6.957  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.616   3.185  -7.836  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.465   1.842  -9.841  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.518   0.436  -8.797  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -3.923   1.878  -7.202  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.059   3.019  -8.525  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.187   0.206  -8.585  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.091   1.640  -8.142  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -6.358   1.125 -10.486  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.557   2.611 -10.303  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -4.681   1.221 -10.732  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.349   2.564  -6.703  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.312   3.396  -6.050  1.00  5.58           C
ATOM    473  C   ILE A  30       3.573   3.547  -6.830  1.00  7.26           C
ATOM    474  O   ILE A  30       4.029   4.663  -7.074  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.566   2.818  -4.690  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.296   2.735  -3.826  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.651   3.698  -4.046  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.398   1.862  -2.576  1.00  2.00           C
ATOM      0  H   ILE A  30       1.091   1.735  -6.168  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.913   4.407  -5.965  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.898   1.783  -4.774  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.021   3.744  -3.520  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.482   2.357  -4.445  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       3.879   3.323  -3.048  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.552   3.671  -4.658  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.292   4.725  -3.975  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.447   1.876  -2.044  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.636   0.839  -2.865  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.183   2.248  -1.926  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.178   2.402  -7.190  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.306   2.250  -8.057  1.00  8.67           C
ATOM    492  C   GLN A  31       5.243   3.132  -9.256  1.00 10.90           C
ATOM    493  O   GLN A  31       6.260   3.710  -9.637  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.535   0.806  -8.534  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.808   0.619  -9.363  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.973  -0.748 -10.011  1.00 13.78           C
ATOM    497  OE1 GLN A  31       6.023  -1.525  -9.929  1.00 14.48           O
ATOM    498  NE2 GLN A  31       8.195  -1.088 -10.500  1.00 14.76           N
ATOM      0  H   GLN A  31       3.847   1.502  -6.842  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.146   2.547  -7.430  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.580   0.150  -7.665  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.677   0.490  -9.128  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.826   1.377 -10.146  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.669   0.804  -8.721  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       8.940  -0.392 -10.540  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       8.367  -2.039 -10.827  1.00 14.76           H   new
ATOM    507  N   ASP A  32       4.094   3.213  -9.950  1.00 10.93           N
ATOM    508  CA  ASP A  32       3.881   3.979 -11.138  1.00 14.01           C
ATOM    509  C   ASP A  32       3.740   5.431 -10.836  1.00 14.04           C
ATOM    510  O   ASP A  32       4.325   6.283 -11.503  1.00 13.39           O
ATOM    511  CB  ASP A  32       2.773   3.272 -11.937  1.00 18.01           C
ATOM    512  CG  ASP A  32       2.094   4.050 -13.055  1.00 24.33           C
ATOM    513  OD1 ASP A  32       2.845   4.262 -14.045  1.00 25.17           O
ATOM    514  OD2 ASP A  32       0.918   4.490 -12.958  1.00 26.29           O
ATOM      0  H   ASP A  32       3.257   2.708  -9.660  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       4.743   4.006 -11.804  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       3.199   2.367 -12.370  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       2.003   2.957 -11.233  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.930   5.797  -9.827  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.589   7.154  -9.531  1.00 14.00           C
ATOM    521  C   LYS A  33       3.731   7.965  -9.021  1.00 12.37           C
ATOM    522  O   LYS A  33       4.224   8.894  -9.658  1.00 12.17           O
ATOM    523  CB  LYS A  33       1.406   7.199  -8.549  1.00 18.62           C
ATOM    524  CG  LYS A  33       0.929   8.543  -7.994  1.00 24.00           C
ATOM    525  CD  LYS A  33       0.528   9.548  -9.075  1.00 27.61           C
ATOM    526  CE  LYS A  33      -0.266  10.735  -8.524  1.00 27.64           C
ATOM    527  NZ  LYS A  33       0.595  11.628  -7.717  1.00 30.06           N
ATOM      0  H   LYS A  33       2.497   5.124  -9.194  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.301   7.613 -10.477  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       0.555   6.731  -9.044  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.666   6.570  -7.698  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       0.077   8.372  -7.335  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       1.722   8.976  -7.384  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       1.426   9.917  -9.571  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -0.068   9.040  -9.833  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -0.704  11.297  -9.349  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -1.091  10.371  -7.912  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33       0.001  12.223  -7.104  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       1.234  11.056  -7.129  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33       1.156  12.234  -8.349  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.265   7.553  -7.857  1.00 10.11           N
ATOM    542  CA  GLU A  34       5.275   8.287  -7.160  1.00 10.07           C
ATOM    543  C   GLU A  34       6.610   7.784  -7.591  1.00  9.32           C
ATOM    544  O   GLU A  34       7.422   8.594  -8.036  1.00 11.61           O
ATOM    545  CB  GLU A  34       5.107   8.308  -5.632  1.00 14.77           C
ATOM    546  CG  GLU A  34       3.804   8.888  -5.077  1.00 18.75           C
ATOM    547  CD  GLU A  34       3.730  10.391  -5.298  1.00 22.28           C
ATOM    548  OE1 GLU A  34       4.632  11.069  -4.736  1.00 25.19           O
ATOM    549  OE2 GLU A  34       2.802  10.960  -5.933  1.00 21.95           O
ATOM      0  H   GLU A  34       3.988   6.690  -7.390  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.174   9.338  -7.433  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.203   7.285  -5.268  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       5.936   8.876  -5.209  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       2.954   8.405  -5.559  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       3.732   8.671  -4.011  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.797   6.452  -7.571  1.00  7.22           N
ATOM    557  CA  GLY A  35       7.995   5.794  -7.992  1.00  6.29           C
ATOM    558  C   GLY A  35       8.654   5.040  -6.889  1.00  6.93           C
ATOM    559  O   GLY A  35       9.876   4.945  -6.790  1.00  7.41           O
ATOM      0  H   GLY A  35       6.079   5.804  -7.246  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       7.761   5.108  -8.806  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       8.691   6.533  -8.388  1.00  6.29           H   new
ATOM    563  N   ILE A  36       7.900   4.554  -5.887  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.445   3.968  -4.701  1.00  6.07           C
ATOM    565  C   ILE A  36       8.639   2.535  -5.061  1.00  6.36           C
ATOM    566  O   ILE A  36       7.654   1.875  -5.389  1.00  6.18           O
ATOM    567  CB  ILE A  36       7.519   4.043  -3.523  1.00  7.47           C
ATOM    568  CG1 ILE A  36       6.831   5.409  -3.359  1.00  8.52           C
ATOM    569  CG2 ILE A  36       8.234   3.553  -2.253  1.00  7.36           C
ATOM    570  CD1 ILE A  36       5.984   5.647  -2.109  1.00  9.49           C
ATOM      0  H   ILE A  36       6.880   4.569  -5.902  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.353   4.493  -4.403  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       6.689   3.364  -3.716  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       7.604   6.177  -3.388  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       6.193   5.567  -4.228  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       7.551   3.612  -1.405  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.553   2.520  -2.391  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36       9.106   4.179  -2.062  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       5.567   6.653  -2.139  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       5.174   4.919  -2.075  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       6.607   5.539  -1.221  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.792   1.935  -5.048  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.957   0.577  -5.479  1.00  9.18           C
ATOM    584  C   PRO A  37       9.317  -0.556  -4.754  1.00  9.85           C
ATOM    585  O   PRO A  37       9.380  -0.560  -3.526  1.00  8.51           O
ATOM    586  CB  PRO A  37      11.460   0.304  -5.501  1.00 11.42           C
ATOM    587  CG  PRO A  37      12.056   1.703  -5.723  1.00  9.27           C
ATOM    588  CD  PRO A  37      11.096   2.557  -4.878  1.00  8.33           C
ATOM      0  HA  PRO A  37       9.419   0.568  -6.427  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      11.805  -0.139  -4.567  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      11.735  -0.384  -6.300  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      13.087   1.774  -5.377  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.052   1.993  -6.774  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.395   2.567  -3.830  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.087   3.593  -5.217  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.664  -1.535  -5.307  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.698  -2.414  -4.717  1.00  9.08           C
ATOM    598  C   PRO A  38       8.295  -3.506  -3.897  1.00  9.28           C
ATOM    599  O   PRO A  38       7.501  -4.128  -3.194  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.864  -2.867  -5.913  1.00 10.31           C
ATOM    601  CG  PRO A  38       7.942  -3.140  -6.974  1.00 10.81           C
ATOM    602  CD  PRO A  38       8.939  -2.015  -6.653  1.00 12.00           C
ATOM      0  HA  PRO A  38       7.080  -1.927  -3.963  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.279  -3.759  -5.688  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       6.161  -2.098  -6.234  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       8.386  -4.130  -6.869  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       7.552  -3.071  -7.989  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       9.963  -2.382  -6.724  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       8.841  -1.203  -7.374  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.618  -3.749  -3.924  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.247  -4.623  -2.983  1.00 14.96           C
ATOM    612  C   ASP A  39      10.436  -4.002  -1.641  1.00 13.99           C
ATOM    613  O   ASP A  39      10.237  -4.672  -0.629  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.566  -5.201  -3.523  1.00 24.16           C
ATOM    615  CG  ASP A  39      12.572  -4.098  -3.818  1.00 31.06           C
ATOM    616  OD1 ASP A  39      12.195  -3.264  -4.685  1.00 34.22           O
ATOM    617  OD2 ASP A  39      13.717  -4.109  -3.292  1.00 35.55           O
ATOM      0  H   ASP A  39      10.257  -3.336  -4.604  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.554  -5.453  -2.844  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      11.987  -5.895  -2.795  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      11.371  -5.771  -4.431  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.734  -2.691  -1.647  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.000  -1.774  -0.582  1.00 10.76           C
ATOM    624  C   GLN A  40       9.768  -1.382   0.158  1.00  8.01           C
ATOM    625  O   GLN A  40       9.719  -1.086   1.351  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.729  -0.512  -1.074  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.374   0.374  -0.007  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.294   1.448  -0.571  1.00 16.11           C
ATOM    629  OE1 GLN A  40      12.937   2.757  -0.660  1.00 20.52           O   flip
ATOM    630  NE2 GLN A  40      14.425   1.093  -0.899  1.00 18.16           N   flip
ATOM      0  H   GLN A  40      10.796  -2.205  -2.542  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.653  -2.310   0.106  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.506  -0.820  -1.774  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.017   0.095  -1.634  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      11.588   0.853   0.577  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.943  -0.255   0.678  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.691   0.111  -0.831  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.097   1.781  -1.239  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.629  -1.432  -0.556  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.335  -1.234   0.019  1.00  3.87           C
ATOM    641  C   GLN A  41       6.926  -2.431   0.806  1.00  4.79           C
ATOM    642  O   GLN A  41       6.935  -3.559   0.315  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.227  -1.189  -1.047  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.260   0.075  -1.908  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.102  -0.013  -2.891  1.00  4.89           C
ATOM    646  OE1 GLN A  41       3.987  -0.356  -2.498  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.366   0.319  -4.183  1.00  7.13           N
ATOM      0  H   GLN A  41       8.607  -1.615  -1.559  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       7.426  -0.311   0.592  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.320  -2.062  -1.693  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.257  -1.259  -0.555  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.168   0.965  -1.286  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.209   0.153  -2.439  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.309   0.597  -4.456  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.621   0.290  -4.879  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.699  -2.225   2.115  1.00  5.73           N
ATOM    657  CA  ARG A  42       5.939  -3.035   3.016  1.00  6.97           C
ATOM    658  C   ARG A  42       4.780  -2.185   3.409  1.00  7.15           C
ATOM    659  O   ARG A  42       4.950  -1.197   4.121  1.00  7.33           O
ATOM    660  CB  ARG A  42       6.860  -3.164   4.241  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.256  -3.895   5.441  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.117  -3.957   6.705  1.00 26.14           C
ATOM    663  NE  ARG A  42       8.098  -4.986   6.259  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.158  -5.460   6.978  1.00 34.32           C
ATOM    665  NH1 ARG A  42       9.501  -4.765   8.101  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.922  -6.504   6.544  1.00 36.39           N
ATOM      0  H   ARG A  42       7.088  -1.409   2.587  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.616  -3.999   2.622  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.768  -3.686   3.939  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.157  -2.164   4.558  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       5.312  -3.413   5.694  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.022  -4.915   5.137  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       7.586  -3.002   6.944  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       6.553  -4.265   7.586  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       7.965  -5.374   5.325  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       8.973  -3.934   8.368  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.285  -5.077   8.674  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       9.709  -6.957   5.655  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42      10.706  -6.831   7.108  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.535  -2.451   2.973  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.325  -1.882   3.480  1.00  3.51           C
ATOM    682  C   LEU A  43       1.712  -2.410   4.731  1.00  5.56           C
ATOM    683  O   LEU A  43       1.719  -3.618   4.959  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.266  -1.812   2.367  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.526  -0.885   1.167  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.691  -1.384  -0.023  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.356   0.603   1.520  1.00  9.55           C
ATOM      0  H   LEU A  43       3.364  -3.110   2.213  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.676  -0.904   3.810  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.122  -2.821   1.982  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.324  -1.508   2.824  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.573  -0.936   0.868  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.863  -0.738  -0.884  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.984  -2.404  -0.271  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.366  -1.364   0.241  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       1.551   1.211   0.637  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.338   0.781   1.865  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.059   0.872   2.309  1.00  9.55           H   new
ATOM    699  N   ILE A  44       1.381  -1.485   5.650  1.00  4.58           N
ATOM    700  CA  ILE A  44       0.883  -1.722   6.970  1.00  5.55           C
ATOM    701  C   ILE A  44      -0.484  -1.155   7.139  1.00  5.46           C
ATOM    702  O   ILE A  44      -0.757   0.035   6.990  1.00  6.04           O
ATOM    703  CB  ILE A  44       1.658  -1.035   8.054  1.00  6.80           C
ATOM    704  CG1 ILE A  44       3.176  -1.207   7.877  1.00 10.31           C
ATOM    705  CG2 ILE A  44       1.197  -1.378   9.481  1.00  7.39           C
ATOM    706  CD1 ILE A  44       3.695  -2.640   7.984  1.00 13.90           C
ATOM      0  H   ILE A  44       1.470  -0.488   5.451  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       0.940  -2.807   7.063  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       1.430   0.024   7.934  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       3.457  -0.810   6.902  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       3.682  -0.599   8.627  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       1.811  -0.838  10.201  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       0.153  -1.089   9.605  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       1.299  -2.450   9.649  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       4.776  -2.647   7.844  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       3.454  -3.042   8.968  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       3.226  -3.255   7.216  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -1.439  -1.929   7.684  1.00  6.75           N
ATOM    719  CA  PHE A  45      -2.720  -1.414   8.057  1.00  4.70           C
ATOM    720  C   PHE A  45      -2.943  -1.830   9.470  1.00  6.34           C
ATOM    721  O   PHE A  45      -2.875  -3.000   9.843  1.00  5.45           O
ATOM    722  CB  PHE A  45      -3.755  -2.026   7.099  1.00  5.51           C
ATOM    723  CG  PHE A  45      -5.124  -1.484   7.326  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -5.359  -0.183   6.947  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -6.116  -2.302   7.814  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -6.605   0.346   7.190  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -7.347  -1.704   7.954  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -7.638  -0.377   7.739  1.00  6.84           C
ATOM      0  H   PHE A  45      -1.321  -2.925   7.868  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -2.796  -0.329   7.989  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -3.455  -1.830   6.070  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -3.769  -3.108   7.226  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -4.588   0.406   6.473  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -5.942  -3.337   8.068  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -6.781   1.381   6.937  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -8.165  -2.338   8.263  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -8.596   0.060   7.981  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -3.188  -0.803  10.304  1.00  6.53           N
ATOM    739  CA  ALA A  46      -3.093  -0.888  11.728  1.00  7.15           C
ATOM    740  C   ALA A  46      -1.746  -1.328  12.190  1.00  9.00           C
ATOM    741  O   ALA A  46      -0.783  -0.563  12.165  1.00 11.15           O
ATOM    742  CB  ALA A  46      -4.214  -1.740  12.346  1.00  8.99           C
ATOM      0  H   ALA A  46      -3.463   0.122   9.973  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -3.232   0.129  12.094  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -4.093  -1.770  13.429  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -5.181  -1.301  12.101  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -4.163  -2.753  11.947  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -1.574  -2.616  12.534  1.00  9.35           N
ATOM    749  CA  GLY A  47      -0.373  -3.190  13.058  1.00 11.68           C
ATOM    750  C   GLY A  47      -0.277  -4.519  12.391  1.00 11.14           C
ATOM    751  O   GLY A  47       0.329  -5.453  12.915  1.00 13.93           O
ATOM      0  H   GLY A  47      -2.323  -3.302  12.440  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       0.495  -2.569  12.834  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47      -0.421  -3.292  14.142  1.00 11.68           H   new
ATOM    755  N   LYS A  48      -0.909  -4.762  11.229  1.00 10.47           N
ATOM    756  CA  LYS A  48      -0.995  -5.960  10.454  1.00  8.82           C
ATOM    757  C   LYS A  48      -0.118  -5.640   9.293  1.00  7.68           C
ATOM    758  O   LYS A  48      -0.043  -4.544   8.740  1.00  6.47           O
ATOM    759  CB  LYS A  48      -2.434  -6.196   9.963  1.00  9.74           C
ATOM    760  CG  LYS A  48      -3.178  -6.850  11.128  1.00 14.14           C
ATOM    761  CD  LYS A  48      -4.708  -6.813  11.109  1.00 16.32           C
ATOM    762  CE  LYS A  48      -5.423  -5.478  11.331  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -6.818  -5.452  10.839  1.00 23.92           N
ATOM      0  H   LYS A  48      -1.429  -4.011  10.776  1.00 10.47           H   new
ATOM      0  HA  LYS A  48      -0.710  -6.855  11.007  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -2.907  -5.257   9.677  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -2.445  -6.839   9.083  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -2.869  -7.894  11.179  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -2.843  -6.373  12.049  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -5.034  -7.204  10.145  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -5.063  -7.507  11.871  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -5.420  -5.249  12.397  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -4.859  -4.689  10.834  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -7.234  -4.517  11.025  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -6.829  -5.639   9.816  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -7.373  -6.182  11.330  1.00 23.92           H   new
ATOM    777  N   GLN A  49       0.738  -6.607   8.918  1.00  8.89           N
ATOM    778  CA  GLN A  49       1.618  -6.508   7.795  1.00  7.18           C
ATOM    779  C   GLN A  49       1.014  -7.203   6.623  1.00  8.23           C
ATOM    780  O   GLN A  49       0.788  -8.412   6.621  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.015  -6.987   8.221  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.108  -7.103   7.156  1.00 15.82           C
ATOM    783  CD  GLN A  49       5.438  -7.688   7.608  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.287  -6.994   8.165  1.00 23.23           O
ATOM    785  NE2 GLN A  49       5.615  -9.005   7.321  1.00 20.67           N
ATOM      0  H   GLN A  49       0.820  -7.493   9.417  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       1.754  -5.480   7.460  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       3.376  -6.308   8.993  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       2.901  -7.966   8.686  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       3.725  -7.716   6.340  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.294  -6.109   6.748  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       4.874  -9.530   6.857  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       6.489  -9.468   7.570  1.00 20.67           H   new
ATOM    794  N   LEU A  50       0.734  -6.502   5.510  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.181  -6.943   4.503  1.00  7.41           C
ATOM    796  C   LEU A  50       0.551  -7.769   3.502  1.00  8.27           C
ATOM    797  O   LEU A  50       1.664  -7.401   3.130  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.879  -5.736   3.855  1.00  7.13           C
ATOM    799  CG  LEU A  50      -1.681  -4.852   4.825  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.193  -3.684   3.966  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -2.712  -5.740   5.542  1.00  8.14           C
ATOM      0  H   LEU A  50       1.159  -5.598   5.304  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.959  -7.562   4.950  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.126  -5.120   3.364  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.551  -6.098   3.077  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -1.130  -4.403   5.652  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.777  -3.005   4.587  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.346  -3.147   3.539  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.819  -4.071   3.162  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -3.294  -5.134   6.236  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.379  -6.190   4.806  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -2.195  -6.526   6.092  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.007  -8.915   3.075  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.508  -9.845   2.118  1.00 11.90           C
ATOM    815  C   GLU A  51       0.271  -9.392   0.719  1.00 11.49           C
ATOM    816  O   GLU A  51      -0.706  -8.672   0.515  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.019 -11.278   2.300  1.00 16.56           C
ATOM    818  CG  GLU A  51       0.561 -11.896   3.574  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.181 -13.334   3.896  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -1.014 -13.484   4.267  1.00 33.44           O
ATOM    821  OE2 GLU A  51       0.999 -14.288   3.807  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.910  -9.219   3.438  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.581  -9.873   2.307  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.108 -11.269   2.354  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       0.252 -11.885   1.436  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.648 -11.842   3.509  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       0.261 -11.273   4.416  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.053  -9.920  -0.239  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.974  -9.412  -1.574  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.248  -9.888  -2.280  1.00 15.83           C
ATOM    831  O   ASP A  52      -0.960  -9.044  -2.822  1.00 17.21           O
ATOM    832  CB  ASP A  52       2.271  -9.806  -2.302  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.384  -9.216  -1.449  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.374  -7.978  -1.215  1.00 28.37           O
ATOM    835  OD2 ASP A  52       4.231 -10.037  -1.006  1.00 25.82           O
ATOM      0  H   ASP A  52       1.722 -10.677  -0.098  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.883  -8.326  -1.558  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       2.366 -10.889  -2.384  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       2.294  -9.406  -3.316  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -0.533 -11.201  -2.215  1.00 15.00           N
ATOM    841  CA  GLY A  53      -1.489 -11.861  -3.048  1.00 11.77           C
ATOM    842  C   GLY A  53      -2.804 -12.067  -2.377  1.00 11.10           C
ATOM    843  O   GLY A  53      -3.475 -13.081  -2.561  1.00 11.25           O
ATOM      0  H   GLY A  53      -0.077 -11.829  -1.553  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -1.638 -11.275  -3.955  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -1.089 -12.827  -3.355  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.119 -11.141  -1.454  1.00  8.53           N
ATOM    848  CA  ARG A  54      -4.334 -11.078  -0.701  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.042  -9.810  -1.036  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.414  -8.816  -1.396  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.102 -11.132   0.818  1.00  7.97           C
ATOM    852  CG  ARG A  54      -3.695 -12.555   1.205  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.544 -12.901   2.688  1.00 12.20           C
ATOM    854  NE  ARG A  54      -4.880 -12.655   3.299  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -5.083 -12.608   4.648  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -4.105 -12.835   5.574  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -6.371 -12.509   5.090  1.00 25.50           N
ATOM      0  H   ARG A  54      -2.479 -10.383  -1.218  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -4.928 -11.951  -0.969  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.324 -10.425   1.106  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -5.009 -10.841   1.349  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -4.433 -13.236   0.781  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -2.744 -12.771   0.717  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.239 -13.939   2.818  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -2.779 -12.283   3.158  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -5.680 -12.515   2.681  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -3.156 -13.055   5.270  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -4.323 -12.784   6.569  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -7.139 -12.473   4.420  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -6.565 -12.471   6.091  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.369  -9.772  -0.823  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.133  -8.673  -1.327  1.00  9.03           C
ATOM    873  C   THR A  55      -7.428  -7.542  -0.404  1.00  8.15           C
ATOM    874  O   THR A  55      -7.336  -7.664   0.817  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.384  -9.114  -2.028  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.281  -9.617  -1.049  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.183 -10.239  -3.058  1.00 11.71           C
ATOM      0  H   THR A  55      -6.901 -10.480  -0.317  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.429  -8.245  -2.041  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -8.751  -8.240  -2.566  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.150  -9.173  -1.143  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.141 -10.491  -3.513  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -7.491  -9.905  -3.831  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -7.775 -11.119  -2.561  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.818  -6.359  -0.912  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.314  -5.274  -0.124  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.583  -5.584   0.593  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.814  -5.164   1.726  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.552  -4.045  -1.017  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.319  -3.479  -1.741  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.570  -2.505  -2.905  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.405  -2.727  -0.758  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.787  -6.151  -1.910  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.551  -5.080   0.629  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.299  -4.306  -1.767  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.981  -3.254  -0.402  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.875  -4.381  -2.163  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.616  -2.185  -3.324  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.156  -3.004  -3.677  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.116  -1.635  -2.540  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.540  -2.336  -1.293  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.956  -1.902  -0.307  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.071  -3.410   0.023  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.505  -6.404   0.057  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.674  -6.927   0.693  1.00  9.00           C
ATOM    906  C   SER A  57     -11.396  -7.877   1.807  1.00  9.44           C
ATOM    907  O   SER A  57     -12.082  -7.772   2.823  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.742  -7.521  -0.241  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.064  -8.478  -1.042  1.00 13.59           O
ATOM      0  H   SER A  57     -10.423  -6.728  -0.907  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.102  -6.017   1.114  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -13.545  -7.987   0.330  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -13.197  -6.746  -0.858  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.699  -8.895  -1.661  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -10.393  -8.764   1.682  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.961  -9.750   2.623  1.00  7.91           C
ATOM    917  C   ASP A  58      -9.450  -9.034   3.826  1.00  9.12           C
ATOM    918  O   ASP A  58     -10.042  -9.213   4.889  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.890 -10.656   1.993  1.00  8.41           C
ATOM    920  CG  ASP A  58      -8.437 -11.845   2.828  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -8.785 -12.126   4.006  1.00 10.05           O
ATOM    922  OD2 ASP A  58      -7.786 -12.684   2.149  1.00 11.70           O
ATOM      0  H   ASP A  58      -9.828  -8.791   0.833  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.786 -10.400   2.915  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -9.274 -11.031   1.044  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -8.016 -10.045   1.765  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.491  -8.114   3.616  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.003  -7.460   4.791  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.040  -6.508   5.279  1.00 10.98           C
ATOM    930  O   TYR A  59      -8.819  -5.981   6.368  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.659  -6.787   4.464  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.545  -7.776   4.423  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.262  -8.568   5.511  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.765  -7.805   3.291  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.133  -9.352   5.482  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.631  -8.582   3.290  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.274  -9.296   4.410  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.121 -10.109   4.433  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.084  -7.840   2.722  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -7.816  -8.168   5.598  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.731  -6.279   3.502  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.442  -6.025   5.212  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -5.914  -8.574   6.372  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.038  -7.228   2.420  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -3.920 -10.016   6.307  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.016  -8.632   2.404  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -2.304 -10.922   4.949  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.091  -6.098   4.547  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.165  -5.250   4.961  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.861  -3.798   4.817  1.00 14.16           C
ATOM    951  O   ASN A  60     -11.258  -2.880   5.532  1.00 14.26           O
ATOM    952  CB  ASN A  60     -11.796  -5.531   6.335  1.00 19.23           C
ATOM    953  CG  ASN A  60     -12.403  -6.912   6.540  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -11.953  -7.720   7.351  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -13.581  -7.074   5.881  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.197  -6.389   3.575  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.936  -5.531   4.243  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -11.032  -5.379   7.098  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -12.574  -4.788   6.510  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -14.149  -7.905   6.048  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -13.897  -6.365   5.220  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.136  -3.443   3.741  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.633  -2.117   3.562  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.557  -1.322   2.706  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.403  -1.124   1.502  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.320  -2.171   2.838  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.376  -3.048   3.678  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.701  -0.769   2.710  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.925  -3.295   3.265  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.896  -4.085   2.985  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.530  -1.663   4.547  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.470  -2.571   1.835  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -7.350  -2.615   4.678  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -7.849  -4.026   3.766  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.750  -0.838   2.181  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.379  -0.121   2.154  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.534  -0.353   3.704  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.443  -3.940   3.999  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.902  -3.777   2.288  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.395  -2.344   3.213  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.614  -0.860   3.398  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.624   0.049   2.955  1.00 15.52           C
ATOM    983  C   GLN A  62     -12.208   1.408   2.505  1.00 13.94           C
ATOM    984  O   GLN A  62     -11.024   1.696   2.667  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.754   0.047   3.998  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.435   0.808   5.287  1.00 26.38           C
ATOM    987  CD  GLN A  62     -14.358   0.839   6.497  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -13.871   0.611   7.603  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -15.703   0.950   6.329  1.00 32.71           N
ATOM      0  H   GLN A  62     -11.774  -1.154   4.362  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.974  -0.334   1.997  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -14.647   0.481   3.547  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.994  -0.985   4.252  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.478   0.424   5.641  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.274   1.847   4.998  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -16.087   1.139   5.403  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -16.327   0.844   7.129  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -13.117   2.244   1.973  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.860   3.602   1.607  1.00 11.97           C
ATOM   1000  C   LYS A  63     -12.473   4.498   2.733  1.00 10.41           C
ATOM   1001  O   LYS A  63     -12.900   4.280   3.866  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -14.103   4.062   0.827  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -15.172   4.722   1.701  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -16.448   5.083   0.938  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -17.528   5.933   1.610  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -17.068   7.318   1.855  1.00 25.97           N
ATOM      0  H   LYS A  63     -14.079   1.958   1.789  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.965   3.663   0.987  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -13.795   4.765   0.053  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -14.541   3.202   0.320  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -15.426   4.049   2.520  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.757   5.626   2.148  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -16.146   5.603   0.029  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -16.917   4.148   0.630  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -18.418   5.952   0.981  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -17.815   5.473   2.556  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.829   7.861   2.311  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -16.234   7.302   2.476  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -16.818   7.766   0.950  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -11.517   5.410   2.482  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -10.893   6.344   3.367  1.00 10.94           C
ATOM   1022  C   GLU A  64     -10.026   5.728   4.411  1.00  9.74           C
ATOM   1023  O   GLU A  64      -9.796   6.188   5.528  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.943   7.363   3.840  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -11.416   8.741   4.244  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.434   9.666   4.897  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -13.650   9.525   4.598  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -12.068  10.535   5.733  1.00 31.72           O
ATOM      0  H   GLU A  64     -11.137   5.500   1.540  1.00 10.04           H   new
ATOM      0  HA  GLU A  64     -10.139   6.911   2.821  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -12.674   7.497   3.042  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -12.474   6.937   4.691  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -10.581   8.604   4.932  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -11.020   9.234   3.356  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -9.472   4.538   4.117  1.00  6.85           N
ATOM   1036  CA  SER A  65      -8.529   3.828   4.924  1.00  6.90           C
ATOM   1037  C   SER A  65      -7.122   4.167   4.568  1.00  4.72           C
ATOM   1038  O   SER A  65      -6.767   4.380   3.409  1.00  3.91           O
ATOM   1039  CB  SER A  65      -8.569   2.305   4.709  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.834   1.852   5.168  1.00 10.56           O
ATOM      0  H   SER A  65      -9.699   4.039   3.257  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -8.807   4.114   5.938  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -8.431   2.061   3.656  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.763   1.817   5.257  1.00  7.28           H   new
ATOM      0  HG  SER A  65     -10.435   1.729   4.403  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -6.287   4.298   5.614  1.00  4.48           N
ATOM   1047  CA  THR A  66      -4.966   4.789   5.370  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.930   3.754   5.642  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.846   3.200   6.737  1.00  5.33           O
ATOM   1050  CB  THR A  66      -4.628   5.950   6.257  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -5.292   7.122   5.806  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -3.150   6.340   6.080  1.00  3.40           C
ATOM      0  H   THR A  66      -6.510   4.076   6.584  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -4.963   5.082   4.320  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -4.893   5.649   7.271  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -5.065   7.873   6.393  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -2.916   7.184   6.729  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -2.516   5.493   6.343  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.969   6.619   5.042  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -3.152   3.380   4.610  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -2.172   2.343   4.699  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.897   3.076   4.937  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.693   4.135   4.345  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -2.061   1.576   3.370  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -3.115   0.471   3.189  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.507   0.833   2.644  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.686  -0.628   2.202  1.00  8.12           C
ATOM      0  H   LEU A  67      -3.207   3.812   3.687  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -2.417   1.616   5.474  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -2.149   2.284   2.546  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -1.069   1.130   3.303  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.186   0.185   4.238  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -5.119  -0.067   2.582  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.984   1.551   3.311  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.406   1.272   1.651  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.476  -1.374   2.123  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.504  -0.186   1.222  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.773  -1.103   2.561  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.008   2.558   5.786  1.00  2.94           N
ATOM   1080  CA  HIS A  68       1.232   3.198   6.155  1.00  4.17           C
ATOM   1081  C   HIS A  68       2.286   2.397   5.470  1.00  5.32           C
ATOM   1082  O   HIS A  68       2.123   1.184   5.347  1.00  7.70           O
ATOM   1083  CB  HIS A  68       1.344   3.119   7.687  1.00  5.57           C
ATOM   1084  CG  HIS A  68       0.692   4.218   8.472  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       1.258   4.830   9.572  1.00 13.74           N
ATOM   1086  CD2 HIS A  68      -0.618   4.583   8.441  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       0.282   5.583  10.147  1.00 14.75           C
ATOM   1088  NE2 HIS A  68      -0.866   5.406   9.521  1.00 16.30           N
ATOM      0  H   HIS A  68      -0.120   1.651   6.236  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.309   4.248   5.873  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       0.915   2.171   8.010  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       2.402   3.096   7.949  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68      -1.341   4.280   7.698  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       0.426   6.234  10.996  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68      -1.768   5.803   9.786  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.244   3.103   4.845  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.205   2.445   4.016  1.00  3.97           C
ATOM   1098  C   LEU A  69       5.481   2.467   4.785  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.066   3.527   5.002  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.247   3.297   2.736  1.00  6.08           C
ATOM   1101  CG  LEU A  69       4.896   2.580   1.540  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       4.338   3.180   0.238  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.428   2.682   1.626  1.00  6.87           C
ATOM      0  H   LEU A  69       3.353   4.115   4.911  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       3.992   1.409   3.750  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.231   3.585   2.468  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       4.796   4.216   2.939  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       4.652   1.518   1.555  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       4.791   2.679  -0.617  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       3.257   3.042   0.208  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.569   4.244   0.199  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.875   2.170   0.774  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       6.724   3.731   1.616  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.772   2.217   2.550  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       5.848   1.265   5.263  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.206   1.087   5.677  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.165   0.914   4.550  1.00  9.22           C
ATOM   1118  O   VAL A  70       7.858   0.141   3.644  1.00  9.36           O
ATOM   1119  CB  VAL A  70       7.250   0.038   6.748  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.677  -0.245   7.246  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       6.496   0.353   8.052  1.00  8.54           C
ATOM      0  H   VAL A  70       5.240   0.452   5.361  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       7.575   2.012   6.121  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       6.779  -0.792   6.221  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       8.647  -1.012   8.020  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.290  -0.592   6.415  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       9.107   0.668   7.657  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       6.603  -0.481   8.745  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       6.910   1.255   8.503  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       5.440   0.509   7.833  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.287   1.655   4.516  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.302   1.463   3.528  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.300   0.559   4.166  1.00 18.09           C
ATOM   1134  O   LEU A  71      11.840   0.751   5.254  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.043   2.772   3.209  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.099   3.749   2.489  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      10.698   5.156   2.327  1.00 19.57           C
ATOM   1138  CD2 LEU A  71       9.722   3.248   1.085  1.00 17.51           C
ATOM      0  H   LEU A  71       9.492   2.398   5.184  1.00 12.71           H   new
ATOM      0  HA  LEU A  71       9.857   1.081   2.609  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      11.414   3.223   4.129  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      11.911   2.565   2.583  1.00 17.10           H   new
ATOM      0  HG  LEU A  71       9.218   3.803   3.128  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       9.984   5.798   1.812  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      10.918   5.573   3.310  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      11.617   5.095   1.744  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       9.054   3.966   0.610  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      10.624   3.138   0.483  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.220   2.284   1.165  1.00 17.51           H   new