USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 438 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 NoAdj-H: C  35 HIS HD1 : C  35 HIS ND1 : C 101  ZNZN   :(H bumps)
USER  MOD Set 1.1: C  28 THR OG1 :   rot  -83:sc=   0.205
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc= -0.0394  X(o=0.17,f=0.041)
USER  MOD Single : C   1 GLY N   :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : C   3 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : C   6 GLN     :      amide:sc=   -1.37  K(o=-1.4,f=-6.2!)
USER  MOD Single : C   7 GLN     :FLIP  amide:sc=       0  F(o=-0.93,f=0)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  K(o=0,f=-0.52)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.891  X(o=-0.89,f=-1.1)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  -30:sc=   0.185
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -73:sc=  -0.115
USER  MOD Single : C  61 THR OG1 :   rot   42:sc= 0.00976
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      25.011  -1.167 -22.142  1.00 20.38           N
ATOM      2  CA  GLY C   1      23.587  -1.580 -22.119  1.00 19.89           C
ATOM      3  C   GLY C   1      23.150  -2.029 -20.741  1.00 19.10           C
ATOM      4  O   GLY C   1      23.554  -3.095 -20.269  1.00 18.87           O
ATOM      0  H1  GLY C   1      25.270  -0.867 -23.103  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      25.154  -0.376 -21.482  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      25.609  -1.968 -21.857  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      22.963  -0.748 -22.444  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      23.433  -2.391 -22.831  1.00 19.89           H   new
ATOM     10  N   ALA C   2      22.328  -1.218 -20.093  1.00 18.81           N
ATOM     11  CA  ALA C   2      21.841  -1.524 -18.759  1.00 18.18           C
ATOM     12  C   ALA C   2      20.430  -0.988 -18.573  1.00 17.47           C
ATOM     13  O   ALA C   2      20.222   0.220 -18.460  1.00 17.29           O
ATOM     14  CB  ALA C   2      22.774  -0.945 -17.707  1.00 18.51           C
ATOM      0  H   ALA C   2      21.983  -0.337 -20.474  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      21.817  -2.607 -18.639  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      22.395  -1.183 -16.713  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      23.769  -1.373 -17.828  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      22.828   0.137 -17.825  1.00 18.51           H   new
ATOM     20  N   MET C   3      19.464  -1.889 -18.556  1.00 17.21           N
ATOM     21  CA  MET C   3      18.069  -1.506 -18.391  1.00 16.67           C
ATOM     22  C   MET C   3      17.664  -1.624 -16.929  1.00 16.02           C
ATOM     23  O   MET C   3      17.290  -0.637 -16.294  1.00 15.80           O
ATOM     24  CB  MET C   3      17.167  -2.380 -19.268  1.00 16.93           C
ATOM     25  CG  MET C   3      17.508  -2.311 -20.748  1.00 17.23           C
ATOM     26  SD  MET C   3      16.438  -3.346 -21.767  1.00 17.56           S
ATOM     27  CE  MET C   3      17.172  -3.085 -23.382  1.00 18.06           C
ATOM      0  H   MET C   3      19.618  -2.893 -18.654  1.00 17.21           H   new
ATOM      0  HA  MET C   3      17.952  -0.469 -18.704  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      17.242  -3.415 -18.934  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      16.130  -2.074 -19.128  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      17.432  -1.277 -21.085  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      18.544  -2.618 -20.891  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      16.623  -3.659 -24.128  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      17.128  -2.026 -23.635  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      18.212  -3.411 -23.366  1.00 18.06           H   new
ATOM     37  N   GLU C   4      17.753  -2.834 -16.397  1.00 15.89           N
ATOM     38  CA  GLU C   4      17.422  -3.081 -15.001  1.00 15.45           C
ATOM     39  C   GLU C   4      18.683  -3.251 -14.164  1.00 14.85           C
ATOM     40  O   GLU C   4      18.653  -3.089 -12.944  1.00 14.73           O
ATOM     41  CB  GLU C   4      16.539  -4.324 -14.874  1.00 15.88           C
ATOM     42  CG  GLU C   4      15.144  -4.140 -15.446  1.00 16.30           C
ATOM     43  CD  GLU C   4      14.338  -3.113 -14.678  1.00 16.61           C
ATOM     44  OE1 GLU C   4      13.682  -3.489 -13.685  1.00 16.83           O
ATOM     45  OE2 GLU C   4      14.352  -1.924 -15.065  1.00 16.78           O
ATOM      0  H   GLU C   4      18.052  -3.662 -16.912  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      16.874  -2.216 -14.627  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      17.024  -5.157 -15.382  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      16.458  -4.596 -13.822  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      15.219  -3.833 -16.489  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      14.619  -5.095 -15.432  1.00 16.30           H   new
ATOM     52  N   GLY C   5      19.790  -3.565 -14.827  1.00 14.66           N
ATOM     53  CA  GLY C   5      21.035  -3.819 -14.129  1.00 14.26           C
ATOM     54  C   GLY C   5      21.768  -2.551 -13.748  1.00 13.87           C
ATOM     55  O   GLY C   5      22.794  -2.217 -14.339  1.00 13.77           O
ATOM      0  H   GLY C   5      19.847  -3.648 -15.842  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      20.829  -4.398 -13.229  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      21.681  -4.430 -14.760  1.00 14.26           H   new
ATOM     59  N   GLN C   6      21.238  -1.844 -12.763  1.00 13.82           N
ATOM     60  CA  GLN C   6      21.872  -0.631 -12.267  1.00 13.64           C
ATOM     61  C   GLN C   6      22.565  -0.904 -10.941  1.00 12.68           C
ATOM     62  O   GLN C   6      23.120   0.002 -10.320  1.00 12.45           O
ATOM     63  CB  GLN C   6      20.838   0.485 -12.108  1.00 14.30           C
ATOM     64  CG  GLN C   6      20.195   0.920 -13.418  1.00 14.92           C
ATOM     65  CD  GLN C   6      21.164   1.626 -14.356  1.00 15.49           C
ATOM     66  OE1 GLN C   6      22.366   1.365 -14.348  1.00 15.79           O
ATOM     67  NE2 GLN C   6      20.646   2.532 -15.167  1.00 15.80           N
ATOM      0  H   GLN C   6      20.368  -2.089 -12.290  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      22.620  -0.308 -12.991  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      20.058   0.149 -11.425  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      21.317   1.348 -11.645  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      19.784   0.045 -13.922  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      19.359   1.585 -13.202  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      19.644   2.722 -15.146  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      21.248   3.041 -15.814  1.00 15.80           H   new
ATOM     76  N   GLN C   7      22.503  -2.166 -10.515  1.00 12.28           N
ATOM     77  CA  GLN C   7      23.148  -2.625  -9.285  1.00 11.51           C
ATOM     78  C   GLN C   7      22.538  -1.962  -8.056  1.00 10.75           C
ATOM     79  O   GLN C   7      23.177  -1.861  -7.008  1.00 10.49           O
ATOM     80  CB  GLN C   7      24.659  -2.382  -9.337  1.00 11.80           C
ATOM     81  CG  GLN C   7      25.384  -3.296 -10.312  1.00 12.20           C
ATOM     82  CD  GLN C   7      26.870  -3.010 -10.403  1.00 12.74           C
ATOM     83  OE1 GLN C   7      27.451  -2.499  -9.328  1.00 12.97           O   flip
ATOM     84  NE2 GLN C   7      27.493  -3.238 -11.439  1.00 13.13           N   flip
ATOM      0  H   GLN C   7      22.002  -2.901 -11.015  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      22.976  -3.698  -9.204  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      24.843  -1.345  -9.617  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      25.077  -2.522  -8.340  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      25.238  -4.332 -10.007  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      24.938  -3.189 -11.301  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      27.012  -3.632 -12.247  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      28.491  -3.033 -11.490  1.00 13.13           H   new
ATOM     93  N   ASN C   8      21.298  -1.524  -8.191  1.00 10.61           N
ATOM     94  CA  ASN C   8      20.572  -0.931  -7.080  1.00 10.12           C
ATOM     95  C   ASN C   8      19.685  -1.980  -6.435  1.00  9.04           C
ATOM     96  O   ASN C   8      18.810  -2.550  -7.092  1.00  8.88           O
ATOM     97  CB  ASN C   8      19.723   0.254  -7.551  1.00 10.85           C
ATOM     98  CG  ASN C   8      18.919   0.882  -6.426  1.00 11.31           C
ATOM     99  OD1 ASN C   8      19.339   0.886  -5.270  1.00 11.47           O
ATOM    100  ND2 ASN C   8      17.752   1.411  -6.756  1.00 11.74           N
ATOM      0  H   ASN C   8      20.771  -1.568  -9.063  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      21.293  -0.564  -6.350  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      20.373   1.009  -7.993  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      19.044  -0.080  -8.335  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      17.167   1.842  -6.040  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      17.438   1.388  -7.726  1.00 11.74           H   new
ATOM    107  N   LEU C   9      19.917  -2.244  -5.161  1.00  8.49           N
ATOM    108  CA  LEU C   9      19.143  -3.242  -4.441  1.00  7.55           C
ATOM    109  C   LEU C   9      17.798  -2.670  -4.012  1.00  6.52           C
ATOM    110  O   LEU C   9      17.582  -2.364  -2.836  1.00  6.53           O
ATOM    111  CB  LEU C   9      19.909  -3.771  -3.219  1.00  7.88           C
ATOM    112  CG  LEU C   9      21.050  -4.753  -3.517  1.00  8.24           C
ATOM    113  CD1 LEU C   9      22.211  -4.062  -4.215  1.00  8.67           C
ATOM    114  CD2 LEU C   9      21.522  -5.417  -2.233  1.00  8.72           C
ATOM      0  H   LEU C   9      20.635  -1.782  -4.603  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      18.971  -4.078  -5.119  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      20.320  -2.920  -2.676  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      19.199  -4.261  -2.553  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      20.666  -5.518  -4.191  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      23.001  -4.787  -4.411  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      21.867  -3.636  -5.158  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      22.598  -3.267  -3.577  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      22.332  -6.111  -2.459  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      21.880  -4.656  -1.540  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      20.694  -5.961  -1.779  1.00  8.72           H   new
ATOM    126  N   ALA C  10      16.904  -2.504  -4.974  1.00  5.93           N
ATOM    127  CA  ALA C  10      15.556  -2.052  -4.687  1.00  5.15           C
ATOM    128  C   ALA C  10      14.747  -3.202  -4.096  1.00  4.09           C
ATOM    129  O   ALA C  10      14.628  -4.264  -4.711  1.00  3.79           O
ATOM    130  CB  ALA C  10      14.895  -1.512  -5.946  1.00  5.31           C
ATOM      0  H   ALA C  10      17.090  -2.677  -5.962  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      15.597  -1.242  -3.959  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      13.884  -1.178  -5.712  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      15.475  -0.673  -6.330  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      14.851  -2.298  -6.700  1.00  5.31           H   new
ATOM    136  N   PRO C  11      14.192  -3.009  -2.891  1.00  4.05           N
ATOM    137  CA  PRO C  11      13.469  -4.065  -2.172  1.00  3.68           C
ATOM    138  C   PRO C  11      12.118  -4.398  -2.795  1.00  2.90           C
ATOM    139  O   PRO C  11      11.487  -5.393  -2.437  1.00  3.43           O
ATOM    140  CB  PRO C  11      13.282  -3.475  -0.772  1.00  4.66           C
ATOM    141  CG  PRO C  11      13.290  -2.000  -0.978  1.00  5.25           C
ATOM    142  CD  PRO C  11      14.228  -1.746  -2.126  1.00  5.02           C
ATOM      0  HA  PRO C  11      14.017  -5.007  -2.189  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      12.345  -3.807  -0.324  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      14.083  -3.785  -0.101  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      12.289  -1.632  -1.204  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      13.625  -1.482  -0.079  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      13.900  -0.901  -2.732  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      15.235  -1.517  -1.778  1.00  5.02           H   new
ATOM    150  N   GLY C  12      11.671  -3.559  -3.717  1.00  2.28           N
ATOM    151  CA  GLY C  12      10.362  -3.741  -4.317  1.00  2.25           C
ATOM    152  C   GLY C  12       9.264  -3.181  -3.440  1.00  1.93           C
ATOM    153  O   GLY C  12       8.376  -2.467  -3.915  1.00  2.19           O
ATOM      0  H   GLY C  12      12.191  -2.753  -4.062  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12      10.336  -3.251  -5.290  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12      10.185  -4.803  -4.489  1.00  2.25           H   new
ATOM    157  N   ALA C  13       9.332  -3.506  -2.155  1.00  1.67           N
ATOM    158  CA  ALA C  13       8.390  -2.995  -1.173  1.00  1.63           C
ATOM    159  C   ALA C  13       8.706  -1.543  -0.831  1.00  1.27           C
ATOM    160  O   ALA C  13       9.281  -1.244   0.216  1.00  1.33           O
ATOM    161  CB  ALA C  13       8.418  -3.862   0.079  1.00  2.07           C
ATOM      0  H   ALA C  13      10.040  -4.129  -1.767  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       7.387  -3.031  -1.598  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       7.709  -3.471   0.808  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       8.145  -4.885  -0.180  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13       9.421  -3.852   0.506  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.332  -0.652  -1.733  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.555   0.774  -1.562  1.00  0.77           C
ATOM    169  C   ARG C  14       7.384   1.545  -2.157  1.00  0.65           C
ATOM    170  O   ARG C  14       6.801   1.115  -3.154  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.864   1.184  -2.247  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.144   2.679  -2.205  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.447   3.023  -2.906  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.613   2.492  -2.201  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.847   2.469  -2.709  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.072   2.898  -3.945  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.855   2.010  -1.979  1.00  3.18           N
ATOM      0  H   ARG C  14       7.865  -0.897  -2.606  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       8.631   1.005  -0.499  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.691   0.657  -1.772  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.835   0.860  -3.287  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.323   3.217  -2.678  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.189   3.013  -1.168  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.427   2.626  -3.921  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.537   4.106  -2.989  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.475   2.116  -1.263  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.300   3.248  -4.512  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.017   2.878  -4.328  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.687   1.675  -1.030  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.798   1.992  -2.366  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.030   2.664  -1.535  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.962   3.510  -2.040  1.00  0.46           C
ATOM    193  C   CYS C  15       6.396   4.130  -3.367  1.00  0.42           C
ATOM    194  O   CYS C  15       7.168   5.090  -3.399  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.643   4.589  -0.999  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.298   5.718  -1.429  1.00  0.48           S
ATOM      0  H   CYS C  15       7.469   3.004  -0.680  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.060   2.923  -2.216  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.394   4.098  -0.058  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.544   5.177  -0.823  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.870   3.587  -4.459  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.337   3.959  -5.782  1.00  0.65           C
ATOM    203  C   GLY C  16       5.676   5.208  -6.310  1.00  0.54           C
ATOM    204  O   GLY C  16       6.107   5.771  -7.318  1.00  0.61           O
ATOM      0  H   GLY C  16       5.124   2.892  -4.451  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.416   4.111  -5.751  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       6.150   3.136  -6.472  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.626   5.645  -5.634  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.917   6.851  -6.029  1.00  0.65           C
ATOM    210  C   VAL C  17       4.815   8.074  -5.863  1.00  0.66           C
ATOM    211  O   VAL C  17       4.862   8.944  -6.731  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.628   7.040  -5.204  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.873   8.281  -5.656  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.741   5.808  -5.307  1.00  0.94           C
ATOM      0  H   VAL C  17       4.246   5.182  -4.808  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.642   6.743  -7.078  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.910   7.175  -4.160  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.968   8.393  -5.060  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.505   9.159  -5.525  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.605   8.181  -6.708  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.836   5.961  -4.718  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.471   5.640  -6.350  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.279   4.940  -4.927  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.546   8.123  -4.758  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.432   9.245  -4.490  1.00  0.70           C
ATOM    226  C   CYS C  18       7.886   8.855  -4.739  1.00  0.68           C
ATOM    227  O   CYS C  18       8.677   9.655  -5.240  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.259   9.729  -3.052  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.725   8.503  -1.812  1.00  0.82           S
ATOM      0  H   CYS C  18       5.543   7.402  -4.036  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.169  10.056  -5.169  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.859  10.627  -2.906  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.218  10.013  -2.896  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.230   7.618  -4.394  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.590   7.150  -4.564  1.00  0.67           C
ATOM    236  C   GLY C  19      10.283   6.912  -3.238  1.00  0.68           C
ATOM    237  O   GLY C  19      11.406   6.412  -3.196  1.00  0.77           O
ATOM      0  H   GLY C  19       7.588   6.931  -3.999  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.585   6.225  -5.141  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.155   7.882  -5.141  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.613   7.268  -2.151  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.176   7.107  -0.817  1.00  0.70           C
ATOM    243  C   ASP C  20       9.591   5.891  -0.116  1.00  0.52           C
ATOM    244  O   ASP C  20       8.383   5.655  -0.159  1.00  0.44           O
ATOM    245  CB  ASP C  20       9.925   8.353   0.038  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.813   9.518  -0.342  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.917   9.639   0.231  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.410  10.327  -1.203  1.00  2.10           O
ATOM      0  H   ASP C  20       8.676   7.671  -2.167  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.250   6.964  -0.936  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20       8.881   8.651  -0.061  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.088   8.106   1.087  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.457   5.115   0.515  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.016   3.998   1.325  1.00  0.51           C
ATOM    255  C   GLY C  21      10.193   4.287   2.801  1.00  0.45           C
ATOM    256  O   GLY C  21       9.913   3.444   3.653  1.00  0.51           O
ATOM      0  H   GLY C  21      11.469   5.240   0.480  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.967   3.786   1.117  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.581   3.105   1.056  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.673   5.487   3.093  1.00  0.44           N
ATOM    261  CA  THR C  22      10.848   5.939   4.462  1.00  0.46           C
ATOM    262  C   THR C  22       9.496   6.157   5.133  1.00  0.39           C
ATOM    263  O   THR C  22       8.609   6.787   4.550  1.00  0.41           O
ATOM    264  CB  THR C  22      11.641   7.257   4.504  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.880   7.106   3.800  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.912   7.685   5.938  1.00  0.90           C
ATOM      0  H   THR C  22      10.951   6.171   2.389  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.400   5.166   4.996  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.042   8.030   4.022  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      13.378   7.949   3.830  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.474   8.619   5.939  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.966   7.830   6.459  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.491   6.913   6.445  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.348   5.628   6.347  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.121   5.788   7.126  1.00  0.45           C
ATOM    276  C   ASP C  23       6.925   5.293   6.318  1.00  0.38           C
ATOM    277  O   ASP C  23       5.895   5.959   6.212  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.942   7.256   7.535  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.900   7.444   8.621  1.00  1.39           C
ATOM    280  OD1 ASP C  23       7.174   7.104   9.795  1.00  1.75           O
ATOM    281  OD2 ASP C  23       5.786   7.908   8.302  1.00  2.23           O
ATOM      0  H   ASP C  23      10.070   5.080   6.815  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.191   5.191   8.035  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.897   7.650   7.883  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.656   7.839   6.660  1.00  0.59           H   new
ATOM    286  N   VAL C  24       7.083   4.113   5.740  1.00  0.33           N
ATOM    287  CA  VAL C  24       6.092   3.561   4.834  1.00  0.31           C
ATOM    288  C   VAL C  24       5.062   2.731   5.600  1.00  0.32           C
ATOM    289  O   VAL C  24       5.366   2.148   6.644  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.772   2.706   3.735  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.158   1.326   4.247  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.893   2.610   2.504  1.00  1.16           C
ATOM      0  H   VAL C  24       7.897   3.515   5.885  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.573   4.389   4.352  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.696   3.211   3.453  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.631   0.760   3.445  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.855   1.428   5.079  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.265   0.800   4.584  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.392   2.005   1.747  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.943   2.147   2.771  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.711   3.609   2.108  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.838   2.702   5.092  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.761   1.957   5.724  1.00  0.30           C
ATOM    304  C   LEU C  25       2.563   0.616   5.030  1.00  0.30           C
ATOM    305  O   LEU C  25       2.878   0.462   3.849  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.464   2.771   5.700  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.458   4.004   6.605  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.230   4.856   6.334  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.502   3.592   8.069  1.00  0.48           C
ATOM      0  H   LEU C  25       3.566   3.190   4.238  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       3.032   1.770   6.763  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.272   3.090   4.676  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.639   2.121   5.992  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.347   4.595   6.385  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.242   5.729   6.986  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25       0.235   5.181   5.293  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.669   4.271   6.527  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.497   4.482   8.698  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.631   2.979   8.301  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.410   3.019   8.259  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.050  -0.349   5.776  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.845  -1.693   5.261  1.00  0.33           C
ATOM    323  C   ARG C  26       0.355  -2.016   5.236  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.388  -1.608   6.133  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.567  -2.706   6.152  1.00  0.42           C
ATOM    326  CG  ARG C  26       2.886  -4.025   5.461  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.155  -3.915   4.629  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.319  -3.592   5.459  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.514  -3.243   4.979  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.728  -3.204   3.669  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.502  -2.951   5.813  1.00  3.18           N
ATOM      0  H   ARG C  26       1.766  -0.225   6.748  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.246  -1.749   4.249  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.496  -2.262   6.510  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       1.951  -2.907   7.028  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.004  -4.811   6.207  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       2.052  -4.315   4.822  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.330  -4.855   4.106  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.026  -3.146   3.868  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       5.208  -3.637   6.472  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.976  -3.442   3.022  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.644  -2.936   3.310  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       7.348  -2.993   6.820  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.416  -2.684   5.447  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.081  -2.739   4.214  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.473  -3.152   4.123  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.744  -4.300   5.094  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.859  -5.108   5.382  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.827  -3.571   2.690  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.606  -3.575   2.369  1.00  0.37           S
ATOM      0  H   CYS C  27       0.506  -3.050   3.440  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.102  -2.304   4.393  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.339  -2.893   1.989  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.428  -4.567   2.500  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.959  -4.338   5.628  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.352  -5.369   6.577  1.00  0.31           C
ATOM    357  C   THR C  28      -3.868  -6.624   5.877  1.00  0.33           C
ATOM    358  O   THR C  28      -3.598  -7.740   6.313  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.441  -4.842   7.524  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.503  -4.256   6.754  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.869  -3.813   8.485  1.00  0.72           C
ATOM      0  H   THR C  28      -3.692  -3.661   5.417  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.460  -5.633   7.145  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.830  -5.676   8.108  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.265  -3.336   6.515  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -4.658  -3.454   9.146  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -3.078  -4.270   9.080  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -3.460  -2.975   7.920  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.611  -6.439   4.792  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.218  -7.568   4.087  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.301  -8.111   2.998  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.549  -9.180   2.443  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.571  -7.179   3.490  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.690  -7.168   4.487  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.727  -8.076   4.460  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.937  -6.351   5.538  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.563  -7.817   5.450  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -9.105  -6.776   6.118  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.808  -5.526   4.382  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.374  -8.358   4.822  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.488  -6.190   3.039  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.818  -7.875   2.688  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -7.328  -5.519   5.860  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.467  -8.364   5.674  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.548  -6.355   6.934  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.253  -7.369   2.683  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.251  -7.840   1.740  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.907  -7.216   2.084  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.805  -6.444   3.034  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.651  -7.511   0.293  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.268  -5.828  -0.239  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.073  -6.440   3.065  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.176  -8.925   1.817  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.149  -8.211  -0.375  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.723  -7.677   0.181  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.108  -7.539   1.314  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.438  -7.012   1.546  1.00  0.37           C
ATOM    399  C   ALA C  31       1.742  -5.920   0.540  1.00  0.36           C
ATOM    400  O   ALA C  31       1.809  -6.174  -0.665  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.477  -8.119   1.469  1.00  0.47           C
ATOM      0  H   ALA C  31       0.038  -8.169   0.515  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.477  -6.586   2.549  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.468  -7.701   1.646  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.261  -8.874   2.225  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.448  -8.577   0.480  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.914  -4.707   1.038  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.190  -3.561   0.193  1.00  0.35           C
ATOM    409  C   ALA C  32       2.816  -2.445   1.010  1.00  0.33           C
ATOM    410  O   ALA C  32       2.385  -2.175   2.133  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.914  -3.071  -0.477  1.00  0.37           C
ATOM      0  H   ALA C  32       1.866  -4.491   2.034  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.892  -3.865  -0.583  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.141  -2.211  -1.107  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.495  -3.869  -1.090  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.191  -2.782   0.285  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.847  -1.825   0.456  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.487  -0.684   1.087  1.00  0.38           C
ATOM    419  C   ALA C  33       4.084   0.593   0.371  1.00  0.37           C
ATOM    420  O   ALA C  33       4.450   0.816  -0.784  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.996  -0.852   1.081  1.00  0.45           C
ATOM      0  H   ALA C  33       4.260  -2.097  -0.436  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.159  -0.621   2.125  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.460   0.012   1.557  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.264  -1.756   1.628  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.349  -0.932   0.053  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.323   1.426   1.059  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.818   2.657   0.479  1.00  0.36           C
ATOM    429  C   PHE C  34       2.548   3.674   1.574  1.00  0.32           C
ATOM    430  O   PHE C  34       2.408   3.314   2.739  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.530   2.375  -0.303  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.399   1.854   0.544  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.353   0.519   0.917  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.615   2.698   0.969  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.682   0.037   1.694  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.652   2.221   1.746  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.690   0.893   2.106  1.00  0.61           C
ATOM      0  H   PHE C  34       3.040   1.270   2.026  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.566   3.062  -0.203  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.208   3.293  -0.796  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.745   1.650  -1.088  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.136  -0.152   0.596  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.594   3.741   0.689  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.705  -1.004   1.980  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.434   2.891   2.072  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.504   0.519   2.709  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.503   4.942   1.209  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.110   5.976   2.152  1.00  0.32           C
ATOM    449  C   HIS C  35       0.628   6.253   2.017  1.00  0.33           C
ATOM    450  O   HIS C  35       0.080   6.157   0.913  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.883   7.276   1.935  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.355   7.159   2.154  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.241   7.727   1.289  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.041   6.546   3.148  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.444   7.455   1.751  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.378   6.737   2.886  1.00  0.42           N
ATOM      0  H   HIS C  35       2.731   5.280   0.274  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.341   5.609   3.152  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.705   7.625   0.918  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.487   8.037   2.607  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.619   6.010   3.986  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.364   7.768   1.280  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.164   6.401   3.443  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.010   6.592   3.122  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.434   6.875   3.125  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.756   7.991   2.134  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.568   7.807   1.231  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.887   7.265   4.535  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.371   7.397   4.679  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.069   8.524   5.004  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.345   6.362   4.498  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.413   8.250   5.049  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.607   6.929   4.738  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.268   5.009   4.161  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.785   6.191   4.647  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.436   4.277   4.072  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.679   4.869   4.314  1.00  0.68           C
ATOM      0  H   TRP C  36       0.438   6.678   4.034  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.972   5.978   2.819  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.528   6.517   5.242  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.419   8.211   4.808  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.628   9.491   5.198  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.148   8.920   5.277  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.312   4.543   3.973  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.747   6.646   4.833  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.388   3.230   3.811  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.574   4.270   4.236  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.061   9.116   2.274  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.326  10.304   1.460  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.053  10.065  -0.022  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.764  10.583  -0.880  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.479  11.479   1.938  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.779  11.919   3.356  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.001  13.171   3.707  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.343  14.288   2.830  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.426  15.357   2.645  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.611  15.445   3.243  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.016  16.328   1.841  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.304   9.233   2.948  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.385  10.533   1.578  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.574  11.206   1.868  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.635  12.323   1.266  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.847  12.108   3.465  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.524  11.119   4.051  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -0.200  13.446   4.742  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       1.069  12.967   3.633  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.230  14.245   2.328  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.935  14.690   3.848  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.196  16.268   3.097  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.885  16.253   1.368  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       0.601  17.151   1.695  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.015   9.293  -0.320  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.365   9.032  -1.704  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.715   8.235  -2.431  1.00  0.36           C
ATOM    515  O   CYS C  38      -0.827   8.291  -3.656  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.700   8.291  -1.754  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.082   9.228  -1.062  1.00  0.54           S
ATOM      0  H   CYS C  38       0.577   8.838   0.375  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.474   9.990  -2.213  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.603   7.351  -1.212  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.927   8.039  -2.790  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.513   7.501  -1.671  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.604   6.723  -2.239  1.00  0.39           C
ATOM    524  C   HIS C  39      -3.930   7.440  -2.050  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.662   7.692  -3.010  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.667   5.333  -1.598  1.00  0.43           C
ATOM    527  CG  HIS C  39      -1.730   4.341  -2.207  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.126   3.080  -2.595  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.407   4.419  -2.485  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.090   2.428  -3.083  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.034   3.218  -3.031  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.426   7.427  -0.657  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.416   6.610  -3.307  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.444   5.424  -0.535  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.685   4.953  -1.678  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39       0.235   5.269  -2.309  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.103   1.417  -3.462  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.905   2.975  -3.345  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.229   7.772  -0.811  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.487   8.400  -0.458  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.251   9.867  -0.122  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.364  10.189   0.667  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.111   7.681   0.741  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.336   6.210   0.517  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.329   5.294   0.769  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -7.556   5.744   0.052  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -5.532   3.944   0.564  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -7.766   4.395  -0.154  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -6.747   3.493   0.103  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.606   7.614  -0.019  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.171   8.333  -1.304  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.464   7.812   1.608  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.064   8.153   0.980  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.372   5.640   1.131  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.352   6.445  -0.152  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -4.737   3.242   0.766  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -8.722   4.044  -0.514  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -6.906   2.437  -0.058  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.028  10.771  -0.735  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.924  12.211  -0.481  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.111  12.551   0.991  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.664  11.768   1.764  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.068  12.803  -1.305  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.336  11.796  -2.364  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.068  10.465  -1.730  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.941  12.599  -0.747  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.951  12.974  -0.689  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.789  13.765  -1.736  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.365  11.862  -2.717  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.692  11.955  -3.229  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.963  10.053  -1.264  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.724   9.733  -2.460  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.672  13.748   1.357  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.650  14.185   2.749  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.056  14.309   3.329  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.220  14.476   4.539  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.911  15.506   2.870  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.321  14.444   0.699  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.125  13.424   3.326  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.901  15.823   3.913  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.887  15.384   2.518  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.414  16.261   2.266  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.062  14.239   2.466  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.434  14.238   2.926  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.841  12.884   3.476  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.852  12.758   4.164  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.950  14.183   1.454  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.559  14.997   3.698  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.094  14.509   2.102  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.043  11.869   3.176  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.302  10.521   3.645  1.00  0.76           C
ATOM    593  C   THR C  44      -8.610  10.291   4.989  1.00  0.65           C
ATOM    594  O   THR C  44      -7.404  10.509   5.122  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.805   9.484   2.619  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.251   9.852   1.306  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.318   8.094   2.952  1.00  0.99           C
ATOM      0  H   THR C  44      -8.203  11.959   2.604  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.378  10.401   3.769  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.716   9.468   2.653  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -8.932   9.192   0.655  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -8.951   7.384   2.211  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -8.964   7.803   3.941  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.408   8.097   2.944  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.371   9.867   5.985  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.829   9.658   7.319  1.00  0.69           C
ATOM    607  C   SER C  45      -8.300   8.235   7.473  1.00  0.61           C
ATOM    608  O   SER C  45      -8.948   7.272   7.057  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.901   9.951   8.369  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.354  11.293   8.263  1.00  1.60           O
ATOM      0  H   SER C  45     -10.366   9.661   5.896  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.995  10.343   7.467  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.740   9.267   8.240  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.498   9.776   9.366  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.041  11.461   8.942  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.110   8.118   8.051  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.457   6.827   8.219  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.162   5.988   9.287  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.348   6.430  10.420  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.977   7.023   8.573  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.741   7.808   9.857  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.263   7.898  10.195  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.695   6.593  10.529  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.389   6.332  10.563  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.511   7.279  10.259  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.963   5.121  10.901  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.576   8.908   8.413  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.521   6.286   7.275  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.505   6.045   8.666  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.483   7.538   7.749  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -5.152   8.812   9.751  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -5.274   7.330  10.679  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.723   8.322   9.348  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -3.124   8.579  11.035  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.340   5.834  10.750  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.835   8.210   9.998  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.488   7.076  10.286  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.636   4.391  11.135  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.037   4.921  10.927  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.586   4.769   8.922  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.302   3.872   9.831  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.395   3.263  10.898  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.238   2.932  10.630  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.840   2.788   8.901  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.883   2.755   7.762  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.383   4.163   7.591  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.074   4.397  10.393  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.888   1.823   9.405  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.849   3.022   8.563  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.059   2.072   7.966  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.372   2.403   6.854  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.333   4.183   7.298  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.940   4.695   6.819  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.929   3.101  12.099  1.00  1.31           N
ATOM    655  CA  GLY C  48      -7.167   2.509  13.178  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.493   1.043  13.376  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.801   0.337  14.108  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.881   3.370  12.346  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -6.103   2.617  12.970  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -7.368   3.051  14.102  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.543   0.578  12.710  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.958  -0.814  12.820  1.00  1.70           C
ATOM    663  C   THR C  49      -8.247  -1.673  11.774  1.00  1.25           C
ATOM    664  O   THR C  49      -8.441  -2.891  11.703  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.489  -0.957  12.667  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.916  -2.252  13.114  1.00  2.72           O
ATOM    667  CG2 THR C  49     -10.913  -0.759  11.220  1.00  2.75           C
ATOM      0  H   THR C  49      -9.122   1.144  12.089  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -8.679  -1.163  13.814  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.958  -0.187  13.280  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -10.200  -2.903  12.961  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -11.995  -0.865  11.140  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -10.620   0.237  10.888  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -10.428  -1.507  10.593  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.405  -1.034  10.976  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.698  -1.733   9.928  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.515  -0.874   8.699  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.491  -0.427   8.093  1.00  0.60           O
ATOM      0  H   GLY C  50      -7.199  -0.037  11.038  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.723  -2.050  10.297  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.246  -2.636   9.661  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.266  -0.630   8.339  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.951   0.197   7.188  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.895  -0.654   5.924  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.146  -1.630   5.846  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.640   0.926   7.413  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.514   2.207   6.608  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.901   3.295   7.455  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -2.706   1.966   5.353  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.450  -0.995   8.831  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.737   0.941   7.059  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.541   1.161   8.473  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.815   0.262   7.156  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -4.509   2.534   6.305  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.815   4.209   6.867  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -3.533   3.480   8.323  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -1.911   2.983   7.787  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.626   2.895   4.788  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -1.709   1.618   5.623  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.200   1.211   4.742  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.691  -0.279   4.937  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.832  -1.073   3.728  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.477  -0.264   2.490  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.763   0.929   2.410  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.265  -1.596   3.616  1.00  0.48           C
ATOM    706  CG  ARG C  52      -7.624  -2.618   4.681  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.076  -3.046   4.573  1.00  0.79           C
ATOM    708  NE  ARG C  52      -9.994  -1.960   4.901  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.219  -1.840   4.394  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.669  -2.719   3.506  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.991  -0.834   4.777  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.251   0.573   4.949  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.140  -1.913   3.791  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.956  -0.756   3.683  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.403  -2.045   2.632  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -6.978  -3.490   4.582  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.440  -2.196   5.669  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.276  -3.396   3.560  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.256  -3.887   5.242  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.677  -1.249   5.560  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.075  -3.493   3.208  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.609  -2.620   3.122  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.646  -0.156   5.457  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.931  -0.737   4.392  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.840  -0.927   1.533  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.525  -0.319   0.249  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.801  -0.191  -0.581  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.795  -0.834  -0.249  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.490  -1.165  -0.499  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.160  -2.685  -1.221  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.530  -1.894   1.625  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.104   0.673   0.416  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.049  -0.562  -1.293  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.685  -1.426   0.188  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.775   0.596  -1.659  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.999   0.888  -2.422  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.720  -0.390  -2.855  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.952  -0.435  -2.891  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.699   1.762  -3.649  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.685   1.163  -4.608  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.629   1.925  -5.923  1.00  1.82           C
ATOM    742  NE  ARG C  54      -5.330   3.343  -5.733  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -4.906   4.155  -6.700  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -4.677   3.687  -7.921  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -4.701   5.438  -6.439  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.932   1.040  -2.023  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.659   1.440  -1.753  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.629   1.943  -4.188  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -6.333   2.731  -3.310  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.699   1.168  -4.143  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -5.941   0.121  -4.803  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -4.870   1.479  -6.566  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -6.584   1.824  -6.439  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -5.454   3.736  -4.800  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.826   2.699  -8.125  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -4.352   4.316  -8.656  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -4.868   5.800  -5.500  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -4.376   6.063  -7.177  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.955  -1.428  -3.161  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.525  -2.694  -3.591  1.00  0.65           C
ATOM    761  C   SER C  55      -8.316  -3.339  -2.451  1.00  0.60           C
ATOM    762  O   SER C  55      -9.474  -3.723  -2.622  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.413  -3.627  -4.081  1.00  0.72           C
ATOM    764  OG  SER C  55      -6.941  -4.826  -4.622  1.00  1.54           O
ATOM      0  H   SER C  55      -5.936  -1.417  -3.119  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.213  -2.511  -4.416  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.816  -3.117  -4.837  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.744  -3.864  -3.253  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -6.206  -5.399  -4.927  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.696  -3.431  -1.281  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.334  -4.054  -0.126  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.439  -3.173   0.468  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.370  -3.681   1.088  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.293  -4.389   0.941  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.015  -5.547   0.391  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.753  -3.083  -1.106  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.802  -4.975  -0.473  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.815  -3.466   1.269  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.801  -4.810   1.809  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.334  -1.860   0.285  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.323  -0.935   0.831  1.00  0.74           C
ATOM    782  C   SER C  57     -11.462  -0.703  -0.159  1.00  0.89           C
ATOM    783  O   SER C  57     -12.399   0.051   0.116  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.659   0.396   1.191  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.021   0.972   0.063  1.00  1.25           O
ATOM      0  H   SER C  57      -8.578  -1.414  -0.235  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.742  -1.380   1.734  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.408   1.086   1.580  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.928   0.238   1.984  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.207   0.468  -0.145  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.379  -1.356  -1.308  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.397  -1.198  -2.325  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.464  -2.266  -2.229  1.00  1.50           C
ATOM    794  O   GLY C  58     -13.835  -2.877  -3.231  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.623  -1.994  -1.555  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.858  -0.215  -2.227  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -11.934  -1.236  -3.311  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -13.945  -2.502  -1.017  1.00  2.14           N
ATOM    799  CA  ASP C  59     -14.963  -3.517  -0.780  1.00  3.08           C
ATOM    800  C   ASP C  59     -16.291  -2.860  -0.414  1.00  3.78           C
ATOM    801  O   ASP C  59     -17.180  -3.494   0.158  1.00  4.32           O
ATOM    802  CB  ASP C  59     -14.519  -4.477   0.334  1.00  3.95           C
ATOM    803  CG  ASP C  59     -14.575  -3.855   1.718  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -13.866  -2.858   1.963  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -15.337  -4.359   2.573  1.00  5.15           O
ATOM      0  H   ASP C  59     -13.646  -2.003  -0.179  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -15.097  -4.091  -1.697  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -15.153  -5.363   0.315  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -13.501  -4.810   0.133  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -16.432  -1.594  -0.777  1.00  4.28           N
ATOM    811  CA  VAL C  60     -17.631  -0.837  -0.448  1.00  5.35           C
ATOM    812  C   VAL C  60     -18.674  -1.014  -1.549  1.00  6.12           C
ATOM    813  O   VAL C  60     -18.950  -0.101  -2.329  1.00  6.50           O
ATOM    814  CB  VAL C  60     -17.323   0.665  -0.257  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -18.518   1.396   0.339  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -16.093   0.850   0.616  1.00  6.03           C
ATOM      0  H   VAL C  60     -15.731  -1.069  -1.300  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -18.020  -1.222   0.495  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -17.119   1.096  -1.237  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -18.274   2.451   0.463  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -19.374   1.297  -0.328  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -18.762   0.964   1.309  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -15.891   1.914   0.740  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -16.268   0.398   1.592  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -15.236   0.371   0.143  1.00  6.03           H   new
ATOM    826  N   THR C  61     -19.226  -2.211  -1.619  1.00  6.63           N
ATOM    827  CA  THR C  61     -20.230  -2.538  -2.611  1.00  7.54           C
ATOM    828  C   THR C  61     -21.610  -2.629  -1.969  1.00  8.48           C
ATOM    829  O   THR C  61     -21.797  -3.349  -0.987  1.00  8.83           O
ATOM    830  CB  THR C  61     -19.888  -3.870  -3.300  1.00  7.91           C
ATOM    831  OG1 THR C  61     -19.410  -4.809  -2.325  1.00  7.75           O
ATOM    832  CG2 THR C  61     -18.832  -3.670  -4.376  1.00  8.22           C
ATOM      0  H   THR C  61     -18.991  -2.980  -0.992  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -20.242  -1.744  -3.357  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -20.792  -4.256  -3.771  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -19.962  -4.751  -1.517  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -18.608  -4.627  -4.848  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -19.205  -2.973  -5.127  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -17.925  -3.266  -3.925  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -22.587  -1.874  -2.486  1.00  9.10           N
ATOM    841  CA  PRO C  62     -23.952  -1.895  -1.961  1.00 10.15           C
ATOM    842  C   PRO C  62     -24.672  -3.191  -2.309  1.00 10.94           C
ATOM    843  O   PRO C  62     -24.619  -3.660  -3.449  1.00 11.04           O
ATOM    844  CB  PRO C  62     -24.620  -0.705  -2.649  1.00 10.68           C
ATOM    845  CG  PRO C  62     -23.855  -0.514  -3.912  1.00 10.16           C
ATOM    846  CD  PRO C  62     -22.440  -0.940  -3.617  1.00  9.07           C
ATOM      0  HA  PRO C  62     -23.977  -1.834  -0.873  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -25.672  -0.905  -2.851  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -24.579   0.187  -2.024  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -24.281  -1.111  -4.719  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -23.889   0.527  -4.234  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -21.979  -1.423  -4.478  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -21.812  -0.089  -3.355  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -25.337  -3.770  -1.319  1.00 11.65           N
ATOM    855  CA  ALA C  63     -26.072  -5.010  -1.508  1.00 12.54           C
ATOM    856  C   ALA C  63     -27.204  -4.826  -2.510  1.00 13.45           C
ATOM    857  O   ALA C  63     -28.016  -3.912  -2.371  1.00 13.86           O
ATOM    858  CB  ALA C  63     -26.624  -5.501  -0.178  1.00 13.10           C
ATOM      0  H   ALA C  63     -25.382  -3.397  -0.371  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -25.384  -5.756  -1.905  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -27.172  -6.430  -0.332  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -25.801  -5.676   0.515  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -27.294  -4.749   0.238  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -27.261  -5.679  -3.543  1.00 13.89           N
ATOM    865  CA  PRO C  64     -28.323  -5.628  -4.548  1.00 14.85           C
ATOM    866  C   PRO C  64     -29.656  -6.112  -3.982  1.00 15.87           C
ATOM    867  O   PRO C  64     -30.000  -7.290  -4.082  1.00 16.55           O
ATOM    868  CB  PRO C  64     -27.822  -6.568  -5.647  1.00 15.07           C
ATOM    869  CG  PRO C  64     -26.924  -7.526  -4.945  1.00 14.50           C
ATOM    870  CD  PRO C  64     -26.292  -6.760  -3.814  1.00 13.64           C
ATOM      0  HA  PRO C  64     -28.512  -4.615  -4.904  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -28.649  -7.085  -6.134  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -27.287  -6.020  -6.423  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -27.485  -8.382  -4.569  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -26.165  -7.916  -5.623  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -26.140  -7.391  -2.938  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -25.316  -6.363  -4.094  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -30.391  -5.201  -3.368  1.00 16.09           N
ATOM    879  CA  VAL C  65     -31.660  -5.534  -2.745  1.00 17.13           C
ATOM    880  C   VAL C  65     -32.799  -5.362  -3.737  1.00 17.88           C
ATOM    881  O   VAL C  65     -33.094  -4.249  -4.173  1.00 18.07           O
ATOM    882  CB  VAL C  65     -31.918  -4.664  -1.496  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -33.230  -5.044  -0.830  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -30.764  -4.789  -0.514  1.00 16.99           C
ATOM      0  H   VAL C  65     -30.128  -4.219  -3.288  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -31.611  -6.577  -2.431  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -31.991  -3.624  -1.815  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -33.388  -4.416   0.047  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -34.050  -4.898  -1.533  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -33.194  -6.090  -0.526  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -30.962  -4.169   0.361  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -30.660  -5.829  -0.206  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -29.842  -4.458  -0.992  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -33.423  -6.471  -4.102  1.00 18.42           N
ATOM    895  CA  GLU C  66     -34.511  -6.458  -5.065  1.00 19.24           C
ATOM    896  C   GLU C  66     -35.490  -7.583  -4.757  1.00 19.89           C
ATOM    897  O   GLU C  66     -36.558  -7.305  -4.168  1.00 20.26           O
ATOM    898  CB  GLU C  66     -33.961  -6.609  -6.485  1.00 19.51           C
ATOM    899  CG  GLU C  66     -35.012  -6.454  -7.575  1.00 19.47           C
ATOM    900  CD  GLU C  66     -35.637  -5.075  -7.590  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -34.940  -4.103  -7.949  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -36.831  -4.957  -7.249  1.00 19.84           O
ATOM    903  OXT GLU C  66     -35.175  -8.746  -5.080  1.00 20.13           O
ATOM      0  H   GLU C  66     -33.192  -7.397  -3.742  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -35.035  -5.505  -4.994  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -33.178  -5.867  -6.641  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -33.495  -7.590  -6.581  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -34.556  -6.653  -8.545  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -35.793  -7.201  -7.431  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.858   7.817  -0.669  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -4.012  -4.427   0.279  1.00  0.49          ZN