USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10
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  -87:sc=    1.06
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc=   -0.19  X(o=0.87,f=1.2)
USER  MOD Single : C   1 GLY N   :NH3+   -131:sc=  0.0982   (180deg=0)
USER  MOD Single : C   3 MET CE  :methyl  167:sc= -0.0672   (180deg=-0.424)
USER  MOD Single : C   6 GLN     :      amide:sc=       0  K(o=0,f=-0.88)
USER  MOD Single : C   7 GLN     :      amide:sc=       0  K(o=0,f=-0.68)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  X(o=0,f=-8.2e-05)
USER  MOD Single : C  22 THR OG1 :   rot   89:sc=    1.01
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.138  K(o=-0.14,f=-1.1)
USER  MOD Single : C  44 THR OG1 :   rot -160:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc= -0.0268
USER  MOD Single : C  57 SER OG  :   rot  -13:sc=   0.642
USER  MOD Single : C  61 THR OG1 :   rot  -81:sc=     1.2
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      26.112   9.910  16.988  1.00 20.38           N
ATOM      2  CA  GLY C   1      26.502  10.335  15.624  1.00 19.89           C
ATOM      3  C   GLY C   1      25.361  10.202  14.640  1.00 19.10           C
ATOM      4  O   GLY C   1      24.246   9.832  15.019  1.00 18.87           O
ATOM      0  H1  GLY C   1      26.399  10.638  17.674  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      25.081   9.782  17.030  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      26.582   9.012  17.219  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      26.839  11.371  15.650  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      27.345   9.734  15.284  1.00 19.89           H   new
ATOM     10  N   ALA C   2      25.630  10.504  13.380  1.00 18.81           N
ATOM     11  CA  ALA C   2      24.620  10.406  12.340  1.00 18.18           C
ATOM     12  C   ALA C   2      24.487   8.970  11.860  1.00 17.47           C
ATOM     13  O   ALA C   2      25.457   8.365  11.403  1.00 17.29           O
ATOM     14  CB  ALA C   2      24.959  11.324  11.179  1.00 18.51           C
ATOM      0  H   ALA C   2      26.543  10.820  13.053  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      23.664  10.720  12.760  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      24.191  11.237  10.410  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      25.004  12.355  11.531  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      25.925  11.041  10.761  1.00 18.51           H   new
ATOM     20  N   MET C   3      23.282   8.431  11.959  1.00 17.21           N
ATOM     21  CA  MET C   3      23.030   7.051  11.571  1.00 16.67           C
ATOM     22  C   MET C   3      22.752   6.970  10.072  1.00 16.02           C
ATOM     23  O   MET C   3      21.682   6.542   9.638  1.00 15.80           O
ATOM     24  CB  MET C   3      21.855   6.481  12.379  1.00 16.93           C
ATOM     25  CG  MET C   3      21.605   4.995  12.154  1.00 17.23           C
ATOM     26  SD  MET C   3      23.054   3.974  12.495  1.00 17.56           S
ATOM     27  CE  MET C   3      23.370   4.384  14.210  1.00 18.06           C
ATOM      0  H   MET C   3      22.462   8.929  12.305  1.00 17.21           H   new
ATOM      0  HA  MET C   3      23.915   6.452  11.787  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      22.042   6.650  13.439  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      20.951   7.033  12.123  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      20.782   4.671  12.790  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      21.292   4.837  11.122  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      24.081   3.672  14.629  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      23.784   5.390  14.273  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      22.437   4.340  14.772  1.00 18.06           H   new
ATOM     37  N   GLU C   4      23.722   7.401   9.281  1.00 15.89           N
ATOM     38  CA  GLU C   4      23.597   7.371   7.834  1.00 15.45           C
ATOM     39  C   GLU C   4      24.205   6.090   7.281  1.00 14.85           C
ATOM     40  O   GLU C   4      25.254   6.102   6.632  1.00 14.73           O
ATOM     41  CB  GLU C   4      24.263   8.599   7.216  1.00 15.88           C
ATOM     42  CG  GLU C   4      23.537   9.897   7.527  1.00 16.30           C
ATOM     43  CD  GLU C   4      22.124   9.912   6.983  1.00 16.61           C
ATOM     44  OE1 GLU C   4      21.962   9.920   5.745  1.00 16.78           O
ATOM     45  OE2 GLU C   4      21.167   9.922   7.786  1.00 16.83           O
ATOM      0  H   GLU C   4      24.608   7.777   9.619  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      22.539   7.391   7.572  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      25.289   8.669   7.579  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      24.315   8.470   6.135  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      23.510  10.045   8.607  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      24.095  10.733   7.105  1.00 16.30           H   new
ATOM     52  N   GLY C   5      23.536   4.985   7.557  1.00 14.66           N
ATOM     53  CA  GLY C   5      24.017   3.689   7.138  1.00 14.26           C
ATOM     54  C   GLY C   5      23.412   2.588   7.975  1.00 13.87           C
ATOM     55  O   GLY C   5      24.117   1.703   8.461  1.00 13.77           O
ATOM      0  H   GLY C   5      22.655   4.964   8.071  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      23.772   3.529   6.088  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      25.103   3.657   7.220  1.00 14.26           H   new
ATOM     59  N   GLN C   6      22.096   2.641   8.139  1.00 13.82           N
ATOM     60  CA  GLN C   6      21.395   1.709   9.016  1.00 13.64           C
ATOM     61  C   GLN C   6      21.155   0.371   8.324  1.00 12.68           C
ATOM     62  O   GLN C   6      20.792  -0.613   8.967  1.00 12.45           O
ATOM     63  CB  GLN C   6      20.063   2.307   9.481  1.00 14.30           C
ATOM     64  CG  GLN C   6      19.100   2.609   8.344  1.00 14.92           C
ATOM     65  CD  GLN C   6      17.810   3.243   8.823  1.00 15.49           C
ATOM     66  OE1 GLN C   6      16.842   2.554   9.134  1.00 15.79           O
ATOM     67  NE2 GLN C   6      17.788   4.564   8.883  1.00 15.80           N
ATOM      0  H   GLN C   6      21.491   3.320   7.676  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      22.028   1.533   9.886  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      19.586   1.615  10.175  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      20.260   3.226  10.033  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      19.584   3.275   7.630  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      18.871   1.685   7.813  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      18.613   5.100   8.616  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      16.946   5.046   9.196  1.00 15.80           H   new
ATOM     76  N   GLN C   7      21.362   0.361   7.009  1.00 12.28           N
ATOM     77  CA  GLN C   7      21.178  -0.831   6.187  1.00 11.51           C
ATOM     78  C   GLN C   7      19.744  -1.346   6.306  1.00 10.75           C
ATOM     79  O   GLN C   7      19.508  -2.495   6.674  1.00 10.49           O
ATOM     80  CB  GLN C   7      22.181  -1.922   6.583  1.00 11.80           C
ATOM     81  CG  GLN C   7      22.239  -3.084   5.604  1.00 12.20           C
ATOM     82  CD  GLN C   7      23.213  -4.162   6.033  1.00 12.74           C
ATOM     83  OE1 GLN C   7      23.439  -4.375   7.226  1.00 12.97           O
ATOM     84  NE2 GLN C   7      23.801  -4.842   5.064  1.00 13.13           N
ATOM      0  H   GLN C   7      21.663   1.182   6.483  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      21.361  -0.563   5.146  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      23.173  -1.478   6.666  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      21.919  -2.303   7.570  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      21.244  -3.518   5.503  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      22.526  -2.711   4.621  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      23.584  -4.632   4.090  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      24.472  -5.576   5.291  1.00 13.13           H   new
ATOM     93  N   ASN C   8      18.789  -0.483   6.001  1.00 10.61           N
ATOM     94  CA  ASN C   8      17.384  -0.850   6.066  1.00 10.12           C
ATOM     95  C   ASN C   8      16.771  -0.842   4.674  1.00  9.04           C
ATOM     96  O   ASN C   8      16.317   0.194   4.185  1.00  8.88           O
ATOM     97  CB  ASN C   8      16.619   0.098   6.994  1.00 10.85           C
ATOM     98  CG  ASN C   8      15.143  -0.246   7.092  1.00 11.31           C
ATOM     99  OD1 ASN C   8      14.318   0.278   6.343  1.00 11.47           O
ATOM    100  ND2 ASN C   8      14.801  -1.131   8.012  1.00 11.74           N
ATOM      0  H   ASN C   8      18.961   0.478   5.706  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      17.310  -1.858   6.473  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      17.063   0.064   7.989  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      16.727   1.120   6.632  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      13.824  -1.402   8.120  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      15.514  -1.543   8.614  1.00 11.74           H   new
ATOM    107  N   LEU C   9      16.790  -1.995   4.030  1.00  8.49           N
ATOM    108  CA  LEU C   9      16.211  -2.139   2.704  1.00  7.55           C
ATOM    109  C   LEU C   9      14.857  -2.817   2.802  1.00  6.52           C
ATOM    110  O   LEU C   9      14.632  -3.652   3.680  1.00  6.53           O
ATOM    111  CB  LEU C   9      17.128  -2.954   1.778  1.00  7.88           C
ATOM    112  CG  LEU C   9      18.448  -2.288   1.368  1.00  8.24           C
ATOM    113  CD1 LEU C   9      18.210  -0.862   0.897  1.00  8.67           C
ATOM    114  CD2 LEU C   9      19.461  -2.325   2.505  1.00  8.72           C
ATOM      0  H   LEU C   9      17.202  -2.850   4.405  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      16.095  -1.142   2.279  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      17.360  -3.898   2.271  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      16.572  -3.196   0.873  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      18.864  -2.855   0.535  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      19.160  -0.410   0.612  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      17.539  -0.870   0.038  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      17.760  -0.283   1.703  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      20.386  -1.846   2.184  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      19.058  -1.795   3.368  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      19.665  -3.361   2.777  1.00  8.72           H   new
ATOM    126  N   ALA C  10      13.953  -2.440   1.919  1.00  5.93           N
ATOM    127  CA  ALA C  10      12.643  -3.060   1.867  1.00  5.15           C
ATOM    128  C   ALA C  10      12.641  -4.199   0.852  1.00  4.09           C
ATOM    129  O   ALA C  10      13.116  -4.034  -0.272  1.00  3.79           O
ATOM    130  CB  ALA C  10      11.586  -2.025   1.522  1.00  5.31           C
ATOM      0  H   ALA C  10      14.102  -1.706   1.227  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      12.407  -3.475   2.847  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      10.607  -2.503   1.486  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      11.581  -1.243   2.282  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      11.811  -1.585   0.550  1.00  5.31           H   new
ATOM    136  N   PRO C  11      12.138  -5.377   1.248  1.00  4.05           N
ATOM    137  CA  PRO C  11      12.076  -6.554   0.372  1.00  3.68           C
ATOM    138  C   PRO C  11      11.015  -6.420  -0.722  1.00  2.90           C
ATOM    139  O   PRO C  11      10.040  -7.174  -0.753  1.00  3.43           O
ATOM    140  CB  PRO C  11      11.720  -7.689   1.332  1.00  4.66           C
ATOM    141  CG  PRO C  11      10.985  -7.027   2.446  1.00  5.25           C
ATOM    142  CD  PRO C  11      11.592  -5.659   2.590  1.00  5.02           C
ATOM      0  HA  PRO C  11      13.011  -6.709  -0.167  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      11.102  -8.442   0.843  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      12.614  -8.196   1.694  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11       9.920  -6.960   2.225  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      11.083  -7.596   3.370  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      10.847  -4.919   2.883  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      12.372  -5.645   3.351  1.00  5.02           H   new
ATOM    150  N   GLY C  12      11.206  -5.461  -1.617  1.00  2.28           N
ATOM    151  CA  GLY C  12      10.238  -5.228  -2.670  1.00  2.25           C
ATOM    152  C   GLY C  12       8.971  -4.612  -2.122  1.00  1.93           C
ATOM    153  O   GLY C  12       7.863  -4.982  -2.511  1.00  2.19           O
ATOM      0  H   GLY C  12      12.015  -4.840  -1.633  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12      10.669  -4.570  -3.424  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12      10.003  -6.170  -3.166  1.00  2.25           H   new
ATOM    157  N   ALA C  13       9.143  -3.672  -1.207  1.00  1.67           N
ATOM    158  CA  ALA C  13       8.026  -3.037  -0.536  1.00  1.63           C
ATOM    159  C   ALA C  13       8.307  -1.555  -0.343  1.00  1.27           C
ATOM    160  O   ALA C  13       8.627  -1.103   0.758  1.00  1.33           O
ATOM    161  CB  ALA C  13       7.762  -3.716   0.803  1.00  2.07           C
ATOM      0  H   ALA C  13      10.057  -3.330  -0.911  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       7.134  -3.141  -1.154  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       6.921  -3.230   1.298  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       7.528  -4.768   0.638  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13       8.648  -3.636   1.432  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.199  -0.803  -1.422  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.444   0.627  -1.381  1.00  0.77           C
ATOM    169  C   ARG C  14       7.284   1.374  -2.015  1.00  0.65           C
ATOM    170  O   ARG C  14       6.705   0.917  -3.002  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.752   0.958  -2.106  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.079   2.444  -2.138  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.433   2.700  -2.777  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.520   2.099  -2.007  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.718   1.806  -2.507  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.985   2.042  -3.784  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.644   1.268  -1.727  1.00  3.18           N
ATOM      0  H   ARG C  14       7.942  -1.160  -2.342  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       8.533   0.941  -0.341  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.570   0.426  -1.620  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.693   0.587  -3.129  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.307   2.976  -2.693  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.073   2.841  -1.123  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.439   2.297  -3.790  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.598   3.774  -2.861  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.350   1.891  -1.023  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.271   2.450  -4.387  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.905   1.816  -4.163  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.438   1.079  -0.746  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.563   1.042  -2.107  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.940   2.511  -1.429  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.872   3.349  -1.943  1.00  0.46           C
ATOM    193  C   CYS C  15       6.255   3.873  -3.325  1.00  0.42           C
ATOM    194  O   CYS C  15       7.051   4.806  -3.451  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.636   4.502  -0.961  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.239   5.579  -1.344  1.00  0.48           S
ATOM      0  H   CYS C  15       7.391   2.875  -0.590  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.950   2.776  -2.042  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.487   4.083   0.034  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.540   5.110  -0.919  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.668   3.281  -4.357  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.060   3.596  -5.717  1.00  0.65           C
ATOM    203  C   GLY C  16       5.404   4.852  -6.238  1.00  0.54           C
ATOM    204  O   GLY C  16       5.861   5.436  -7.217  1.00  0.61           O
ATOM      0  H   GLY C  16       4.925   2.586  -4.276  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.143   3.712  -5.761  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.802   2.760  -6.368  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.338   5.273  -5.572  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.596   6.461  -5.980  1.00  0.65           C
ATOM    210  C   VAL C  17       4.480   7.706  -5.919  1.00  0.66           C
ATOM    211  O   VAL C  17       4.408   8.574  -6.789  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.351   6.673  -5.095  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.527   7.850  -5.595  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.506   5.408  -5.046  1.00  0.94           C
ATOM      0  H   VAL C  17       3.965   4.809  -4.744  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.274   6.302  -7.009  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.688   6.900  -4.083  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.654   7.981  -4.956  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.134   8.755  -5.570  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.202   7.658  -6.618  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.632   5.578  -4.417  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.182   5.148  -6.054  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.097   4.591  -4.633  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.326   7.779  -4.902  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.216   8.921  -4.744  1.00  0.70           C
ATOM    226  C   CYS C  18       7.663   8.517  -5.024  1.00  0.68           C
ATOM    227  O   CYS C  18       8.475   9.332  -5.467  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.093   9.495  -3.331  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.626   8.359  -2.033  1.00  0.82           S
ATOM      0  H   CYS C  18       5.415   7.066  -4.178  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       5.925   9.687  -5.463  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.685  10.408  -3.267  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.055   9.775  -3.152  1.00  0.82           H   new
ATOM    234  N   GLY C  19       7.975   7.250  -4.765  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.320   6.752  -4.980  1.00  0.67           C
ATOM    236  C   GLY C  19      10.089   6.628  -3.681  1.00  0.68           C
ATOM    237  O   GLY C  19      11.129   5.972  -3.621  1.00  0.77           O
ATOM      0  H   GLY C  19       7.316   6.558  -4.409  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.273   5.779  -5.469  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.852   7.423  -5.655  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.566   7.245  -2.635  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.233   7.263  -1.343  1.00  0.70           C
ATOM    243  C   ASP C  20       9.716   6.144  -0.446  1.00  0.52           C
ATOM    244  O   ASP C  20       8.519   5.850  -0.429  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.031   8.622  -0.668  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.620   8.674   0.724  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.863   8.656   0.856  1.00  1.40           O
ATOM    248  OD2 ASP C  20       9.845   8.746   1.696  1.00  2.10           O
ATOM      0  H   ASP C  20       8.676   7.743  -2.655  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.299   7.101  -1.504  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.488   9.399  -1.281  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       8.965   8.843  -0.616  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.623   5.521   0.290  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.248   4.434   1.171  1.00  0.51           C
ATOM    255  C   GLY C  21      10.448   4.778   2.633  1.00  0.45           C
ATOM    256  O   GLY C  21      10.536   3.887   3.478  1.00  0.51           O
ATOM      0  H   GLY C  21      11.617   5.750   0.293  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.202   4.177   1.001  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.838   3.551   0.925  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.516   6.066   2.934  1.00  0.44           N
ATOM    261  CA  THR C  22      10.714   6.517   4.301  1.00  0.46           C
ATOM    262  C   THR C  22       9.407   6.438   5.087  1.00  0.39           C
ATOM    263  O   THR C  22       8.435   7.122   4.755  1.00  0.41           O
ATOM    264  CB  THR C  22      11.248   7.963   4.332  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.431   8.063   3.524  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.563   8.400   5.756  1.00  0.90           C
ATOM      0  H   THR C  22      10.437   6.817   2.249  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.450   5.860   4.764  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.475   8.620   3.934  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.180   8.281   2.602  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.938   9.424   5.748  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.658   8.350   6.361  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.320   7.740   6.180  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.395   5.590   6.117  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.217   5.394   6.964  1.00  0.45           C
ATOM    276  C   ASP C  23       6.993   5.021   6.136  1.00  0.38           C
ATOM    277  O   ASP C  23       6.030   5.782   6.042  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.930   6.636   7.818  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.815   6.713   9.045  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.448   6.118  10.080  1.00  1.75           O
ATOM    281  OD2 ASP C  23       9.879   7.363   8.986  1.00  2.23           O
ATOM      0  H   ASP C  23      10.198   5.022   6.387  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.437   4.564   7.635  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.075   7.531   7.213  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.885   6.627   8.128  1.00  0.59           H   new
ATOM    286  N   VAL C  24       7.048   3.848   5.528  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.940   3.336   4.733  1.00  0.31           C
ATOM    288  C   VAL C  24       4.991   2.510   5.589  1.00  0.32           C
ATOM    289  O   VAL C  24       5.424   1.761   6.463  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.435   2.461   3.561  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.986   3.317   2.438  1.00  1.14           C
ATOM    292  CG2 VAL C  24       7.491   1.473   4.037  1.00  1.16           C
ATOM      0  H   VAL C  24       7.855   3.226   5.570  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.416   4.204   4.333  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       5.581   1.902   3.178  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.328   2.676   1.626  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       6.205   3.983   2.071  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       7.823   3.909   2.809  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       7.827   0.866   3.196  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       8.339   2.018   4.452  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       7.065   0.826   4.804  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.701   2.651   5.338  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.697   1.851   6.018  1.00  0.30           C
ATOM    304  C   LEU C  25       2.475   0.559   5.249  1.00  0.30           C
ATOM    305  O   LEU C  25       2.530   0.548   4.021  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.377   2.624   6.134  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.434   3.901   6.971  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.054   4.527   7.073  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.995   3.612   8.354  1.00  0.48           C
ATOM      0  H   LEU C  25       3.322   3.316   4.664  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       3.050   1.622   7.024  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.038   2.883   5.131  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.625   1.962   6.564  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.099   4.609   6.476  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.110   5.436   7.672  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.309   4.772   6.075  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.631   3.823   7.545  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       2.027   4.535   8.934  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       1.358   2.887   8.861  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       3.003   3.207   8.261  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.239  -0.528   5.962  1.00  0.31           N
ATOM    322  CA  ARG C  26       2.027  -1.813   5.318  1.00  0.33           C
ATOM    323  C   ARG C  26       0.569  -2.226   5.416  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.063  -2.084   6.464  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.931  -2.897   5.916  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.382  -2.807   5.458  1.00  0.98           C
ATOM    327  CD  ARG C  26       5.141  -1.700   6.173  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.368  -2.026   7.584  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.076  -1.277   8.429  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.570  -0.108   8.045  1.00  2.24           N
ATOM    331  NH2 ARG C  26       6.274  -1.697   9.672  1.00  3.18           N
ATOM      0  H   ARG C  26       2.189  -0.548   6.981  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.290  -1.702   4.266  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.898  -2.826   7.003  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.535  -3.876   5.648  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.878  -3.761   5.638  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.412  -2.630   4.383  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       6.098  -1.536   5.678  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.581  -0.768   6.100  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       4.955  -2.886   7.944  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.410   0.226   7.095  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.110   0.457   8.700  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       5.885  -2.589   9.977  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       6.815  -1.128  10.323  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.041  -2.711   4.300  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.341  -3.154   4.225  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.566  -4.345   5.155  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.701  -5.206   5.299  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.691  -3.531   2.779  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.466  -3.553   2.446  1.00  0.37           S
ATOM      0  H   CYS C  27       0.558  -2.807   3.426  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -1.992  -2.340   4.544  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.212  -2.824   2.102  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.276  -4.515   2.558  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.720  -4.373   5.805  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.065  -5.467   6.701  1.00  0.31           C
ATOM    357  C   THR C  28      -3.780  -6.591   5.956  1.00  0.33           C
ATOM    358  O   THR C  28      -3.726  -7.749   6.359  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.963  -4.978   7.853  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.071  -4.239   7.320  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.182  -4.104   8.823  1.00  0.72           C
ATOM      0  H   THR C  28      -3.435  -3.649   5.729  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.130  -5.849   7.110  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.328  -5.849   8.397  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.817  -3.298   7.215  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.841  -3.773   9.626  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.356  -4.677   9.244  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.789  -3.235   8.295  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.443  -6.245   4.860  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.214  -7.226   4.100  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.350  -7.890   3.036  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.658  -8.982   2.566  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.445  -6.576   3.460  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.512  -6.203   4.444  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.780  -6.740   4.421  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.497  -5.331   5.482  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.494  -6.215   5.398  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.741  -5.360   6.054  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.464  -5.300   4.478  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.554  -7.994   4.794  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.133  -5.682   2.920  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.866  -7.262   2.725  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.660  -4.726   5.799  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.525  -6.448   5.622  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.036  -4.807   6.859  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.269  -7.224   2.665  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.322  -7.776   1.711  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.942  -7.217   2.023  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.765  -6.532   3.025  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.726  -7.429   0.272  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.224  -5.776  -0.266  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.025  -6.296   3.012  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.313  -8.863   1.796  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.290  -8.166  -0.403  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.809  -7.515   0.181  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.021  -7.482   1.168  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.366  -6.983   1.371  1.00  0.37           C
ATOM    399  C   ALA C  31       1.629  -5.796   0.457  1.00  0.36           C
ATOM    400  O   ALA C  31       1.651  -5.935  -0.765  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.383  -8.085   1.125  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.101  -8.041   0.324  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.465  -6.652   2.405  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.388  -7.694   1.282  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.202  -8.908   1.816  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.289  -8.445   0.100  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.819  -4.632   1.059  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.077  -3.405   0.319  1.00  0.35           C
ATOM    409  C   ALA C  32       2.577  -2.328   1.265  1.00  0.33           C
ATOM    410  O   ALA C  32       1.916  -2.016   2.255  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.817  -2.925  -0.402  1.00  0.37           C
ATOM      0  H   ALA C  32       1.799  -4.511   2.072  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.841  -3.610  -0.431  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.037  -2.007  -0.947  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.484  -3.691  -1.102  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.031  -2.734   0.328  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.749  -1.790   0.972  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.302  -0.692   1.749  1.00  0.38           C
ATOM    419  C   ALA C  33       4.103   0.613   0.999  1.00  0.37           C
ATOM    420  O   ALA C  33       4.701   0.835  -0.055  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.774  -0.922   2.029  1.00  0.45           C
ATOM      0  H   ALA C  33       4.339  -2.097   0.198  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.781  -0.639   2.705  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.168  -0.089   2.611  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.897  -1.848   2.591  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.317  -0.995   1.086  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.264   1.468   1.542  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.888   2.697   0.873  1.00  0.36           C
ATOM    429  C   PHE C  34       2.623   3.788   1.895  1.00  0.32           C
ATOM    430  O   PHE C  34       2.441   3.511   3.076  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.629   2.464   0.029  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.418   2.078   0.840  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.229   0.767   1.250  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.527   3.029   1.198  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.876   0.413   1.999  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.633   2.681   1.949  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.808   1.370   2.349  1.00  0.61           C
ATOM      0  H   PHE C  34       2.825   1.334   2.453  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.706   3.010   0.224  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.405   3.371  -0.532  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.832   1.680  -0.701  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.955   0.014   0.980  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.396   4.054   0.885  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.011  -0.612   2.311  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.359   3.432   2.223  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.673   1.094   2.935  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.614   5.025   1.444  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.209   6.125   2.300  1.00  0.32           C
ATOM    449  C   HIS C  35       0.729   6.379   2.104  1.00  0.33           C
ATOM    450  O   HIS C  35       0.253   6.417   0.966  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.989   7.403   1.988  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.471   7.263   2.122  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.315   7.776   1.178  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.204   6.672   3.095  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.539   7.491   1.581  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.525   6.821   2.746  1.00  0.42           N
ATOM      0  H   HIS C  35       2.880   5.295   0.497  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.420   5.850   3.334  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.755   7.719   0.971  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.648   8.195   2.654  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.823   6.178   3.977  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.436   7.761   1.044  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.335   6.488   3.268  1.00  0.42           H   new
ATOM    464  N   TRP C  36       0.010   6.532   3.205  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.417   6.814   3.160  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.715   7.995   2.239  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.573   7.903   1.368  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.948   7.097   4.568  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.422   7.365   4.602  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.034   8.564   4.833  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.469   6.413   4.380  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.398   8.413   4.775  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.689   7.103   4.496  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.490   5.044   4.095  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.918   6.469   4.335  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.712   4.417   3.936  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.911   5.130   4.057  1.00  0.68           C
ATOM      0  H   TRP C  36       0.394   6.465   4.147  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.922   5.934   2.760  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.726   6.245   5.211  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.420   7.956   4.982  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.521   9.493   5.032  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.083   9.155   4.917  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.569   4.487   4.001  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.845   7.016   4.426  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.742   3.360   3.715  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.850   4.612   3.928  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -0.967   9.084   2.404  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.218  10.311   1.646  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.765  10.199   0.190  1.00  0.41           C
ATOM    491  O   ARG C  37      -0.985  11.114  -0.605  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.533  11.503   2.311  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.046  11.793   3.711  1.00  0.70           C
ATOM    494  CD  ARG C  37      -2.536  12.100   3.711  1.00  1.05           C
ATOM    495  NE  ARG C  37      -3.022  12.449   5.044  1.00  1.72           N
ATOM    496  CZ  ARG C  37      -4.279  12.274   5.447  1.00  2.32           C
ATOM    497  NH1 ARG C  37      -5.179  11.753   4.623  1.00  2.37           N
ATOM    498  NH2 ARG C  37      -4.639  12.636   6.671  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.183   9.143   3.054  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.297  10.465   1.645  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.540  11.316   2.357  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.676  12.387   1.690  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -0.851  10.936   4.355  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.500  12.638   4.131  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -2.737  12.923   3.025  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -3.085  11.234   3.340  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -2.358  12.851   5.706  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37      -4.909  11.485   3.677  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37      -6.141  11.621   4.936  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -3.953  13.048   7.303  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37      -5.602  12.502   6.980  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.124   9.093  -0.157  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.259   8.843  -1.540  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.838   8.071  -2.269  1.00  0.36           C
ATOM    515  O   CYS C  38      -0.918   8.092  -3.493  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.588   8.094  -1.615  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.019   9.094  -1.146  1.00  0.54           S
ATOM      0  H   CYS C  38       0.141   8.356   0.497  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.389   9.806  -2.034  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.539   7.220  -0.965  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.731   7.727  -2.632  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.677   7.378  -1.511  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.803   6.655  -2.094  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.100   7.421  -1.886  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.920   7.537  -2.795  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.931   5.251  -1.497  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.055   4.223  -2.144  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.554   3.160  -2.868  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.710   4.072  -2.144  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.556   2.397  -3.273  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.429   2.931  -2.850  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.602   7.300  -0.497  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.612   6.560  -3.163  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.692   5.298  -0.434  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.969   4.929  -1.577  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39       0.008   4.728  -1.675  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.648   1.490  -3.852  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.504   2.556  -3.020  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.274   7.945  -0.687  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.480   8.667  -0.326  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.135  10.104   0.038  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.145  10.357   0.726  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.175   7.979   0.853  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.670   6.592   0.545  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.813   5.507   0.616  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -7.990   6.374   0.183  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.262   4.231   0.331  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.445   5.101  -0.102  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.589   4.032  -0.022  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.585   7.882   0.063  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.158   8.670  -1.179  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.481   7.928   1.692  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.018   8.592   1.173  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.781   5.659   0.897  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.671   7.210   0.123  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -5.583   3.393   0.383  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.475   4.947  -0.388  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -7.948   3.036  -0.234  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -5.944  11.065  -0.422  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.692  12.487  -0.192  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.928  12.898   1.258  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.348  12.077   2.075  1.00  1.93           O
ATOM    564  CB  PRO C  41      -6.690  13.180  -1.117  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.805  12.206  -1.262  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.177  10.842  -1.197  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.653  12.751  -0.391  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.038  14.121  -0.691  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.240  13.414  -2.082  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.541  12.335  -0.468  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -8.328  12.350  -2.208  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.833  10.121  -0.708  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.960  10.452  -2.192  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.678  14.160   1.571  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.796  14.650   2.943  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.208  14.455   3.493  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.385  14.109   4.662  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.400  16.115   3.017  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.391  14.868   0.895  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.116  14.065   3.562  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.493  16.466   4.045  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.368  16.230   2.686  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -6.055  16.702   2.373  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.202  14.654   2.635  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.591  14.571   3.056  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.004  13.190   3.538  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.988  13.054   4.263  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.070  14.873   1.648  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.762  15.291   3.856  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.231  14.862   2.223  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.264  12.167   3.143  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.572  10.810   3.558  1.00  0.76           C
ATOM    593  C   THR C  44      -8.882  10.497   4.884  1.00  0.65           C
ATOM    594  O   THR C  44      -7.689  10.760   5.053  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.141   9.797   2.485  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.598  10.243   1.201  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.717   8.419   2.775  1.00  0.99           C
ATOM      0  H   THR C  44      -8.448  12.251   2.537  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.651  10.729   3.690  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.053   9.726   2.493  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.616   9.486   0.579  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.397   7.721   2.001  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.361   8.073   3.746  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.806   8.475   2.786  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.633   9.934   5.817  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.128   9.701   7.160  1.00  0.69           C
ATOM    607  C   SER C  45      -8.444   8.343   7.257  1.00  0.61           C
ATOM    608  O   SER C  45      -8.926   7.352   6.706  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.277   9.791   8.163  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.982  11.014   8.010  1.00  1.60           O
ATOM      0  H   SER C  45     -10.595   9.630   5.669  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.387  10.466   7.392  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.958   8.952   8.019  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.887   9.715   9.178  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.715  11.053   8.659  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.314   8.316   7.945  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.530   7.101   8.110  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.196   6.163   9.115  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.363   6.517  10.283  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.120   7.456   8.582  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.174   6.267   8.653  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.818   6.665   9.212  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.230   7.786   8.477  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.931   8.080   8.477  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.076   7.331   9.159  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.490   9.131   7.796  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.914   9.134   8.405  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.471   6.591   7.149  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.699   8.202   7.908  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -5.183   7.917   9.568  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.612   5.489   9.278  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.047   5.842   7.657  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.924   6.936  10.262  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.143   5.810   9.170  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.854   8.379   7.930  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.412   6.525   9.687  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.918   7.560   9.156  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.146   9.712   7.274  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.505   9.357   7.795  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.605   4.966   8.671  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.205   3.964   9.549  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.179   3.368  10.505  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.074   2.998  10.098  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.721   2.882   8.587  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.623   3.473   7.221  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.526   4.491   7.286  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.987   4.392  10.176  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.124   1.973   8.664  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.750   2.608   8.822  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -8.399   2.706   6.480  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -9.566   3.934   6.928  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.553   4.052   7.064  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.682   5.299   6.572  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.540   3.294  11.775  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.663   2.701  12.760  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.757   1.203  12.748  1.00  1.61           C
ATOM    657  O   GLY C  48      -5.756   0.500  12.891  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.428   3.635  12.143  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.635   3.004  12.563  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.921   3.075  13.751  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.966   0.714  12.578  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.206  -0.707  12.572  1.00  1.70           C
ATOM    663  C   THR C  49      -8.284  -1.232  11.142  1.00  1.25           C
ATOM    664  O   THR C  49      -9.201  -0.888  10.392  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.506  -1.037  13.319  1.00  2.25           C
ATOM    666  OG1 THR C  49      -9.697  -0.107  14.400  1.00  2.72           O
ATOM    667  CG2 THR C  49      -9.442  -2.443  13.876  1.00  2.75           C
ATOM      0  H   THR C  49      -8.800   1.285  12.442  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.373  -1.193  13.081  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.340  -0.963  12.621  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -10.529  -0.321  14.872  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -10.369  -2.668  14.404  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -9.309  -3.152  13.059  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -8.602  -2.523  14.566  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.301  -2.037  10.762  1.00  0.82           N
ATOM    676  CA  GLY C  50      -7.295  -2.630   9.443  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.881  -1.652   8.361  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.652  -1.372   7.441  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.505  -2.290  11.348  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -6.615  -3.482   9.436  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -8.290  -3.014   9.218  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.669  -1.119   8.477  1.00  0.50           N
ATOM    683  CA  LEU C  51      -5.128  -0.232   7.455  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.975  -1.015   6.153  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.291  -2.039   6.107  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.775   0.336   7.925  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.264   1.599   7.205  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.829   1.295   5.780  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.327   2.687   7.211  1.00  0.86           C
ATOM      0  H   LEU C  51      -5.045  -1.286   9.266  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.804   0.606   7.284  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.851   0.559   8.989  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -3.022  -0.445   7.816  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.391   1.956   7.751  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.475   2.210   5.305  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.025   0.559   5.794  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.675   0.898   5.218  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.947   3.570   6.698  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.220   2.327   6.700  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -4.578   2.945   8.240  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.613  -0.541   5.096  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.637  -1.274   3.842  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.334  -0.356   2.667  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.684   0.822   2.675  1.00  0.42           O
ATOM    705  CB  ARG C  52      -6.994  -1.960   3.664  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.150  -0.997   3.627  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.481  -1.720   3.687  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.588  -0.797   3.922  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.847  -1.184   4.113  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.167  -2.470   4.050  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.787  -0.286   4.366  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.119   0.344   5.081  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -4.860  -2.038   3.871  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -6.982  -2.538   2.740  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.145  -2.667   4.480  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -8.074  -0.304   4.465  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.099  -0.402   2.715  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.646  -2.256   2.752  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.454  -2.466   4.481  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.384   0.202   3.941  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.447  -3.166   3.855  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.133  -2.763   4.197  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -12.547   0.704   4.415  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.751  -0.584   4.512  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.662  -0.914   1.670  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.276  -0.173   0.480  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.491   0.087  -0.411  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.587  -0.388  -0.116  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.208  -0.955  -0.292  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.829  -2.436  -1.126  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.370  -1.891   1.664  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.865   0.790   0.784  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.757  -0.296  -1.034  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.417  -1.246   0.399  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.283   0.810  -1.508  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.372   1.190  -2.407  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.139  -0.037  -2.895  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.366  -0.082  -2.808  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.819   1.978  -3.598  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.846   2.279  -4.680  1.00  1.28           C
ATOM    741  CD  ARG C  54      -7.901   3.271  -4.212  1.00  1.82           C
ATOM    742  NE  ARG C  54      -7.341   4.604  -3.991  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -8.065   5.672  -3.655  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -9.378   5.566  -3.486  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -7.478   6.847  -3.482  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.365   1.147  -1.798  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.066   1.821  -1.852  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.404   2.918  -3.235  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.996   1.416  -4.040  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -6.339   2.678  -5.559  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.331   1.352  -4.986  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -8.697   3.331  -4.954  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -8.353   2.910  -3.288  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.334   4.724  -4.101  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -9.837   4.664  -3.613  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -9.927   6.386  -3.229  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -6.470   6.936  -3.606  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -8.035   7.662  -3.225  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.412  -1.034  -3.373  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.026  -2.241  -3.910  1.00  0.65           C
ATOM    761  C   SER C  55      -7.887  -2.925  -2.844  1.00  0.60           C
ATOM    762  O   SER C  55      -9.011  -3.346  -3.112  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.935  -3.188  -4.423  1.00  0.72           C
ATOM    764  OG  SER C  55      -6.485  -4.314  -5.085  1.00  1.54           O
ATOM      0  H   SER C  55      -5.392  -1.032  -3.401  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.677  -1.972  -4.742  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.278  -2.650  -5.106  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.321  -3.522  -3.587  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -5.761  -4.894  -5.400  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.364  -3.001  -1.627  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.084  -3.623  -0.519  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.241  -2.762  -0.021  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.219  -3.281   0.509  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.135  -3.907   0.635  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.933  -5.208   0.292  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.443  -2.640  -1.380  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.501  -4.556  -0.898  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.601  -2.991   0.887  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.719  -4.188   1.512  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.135  -1.451  -0.181  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.146  -0.549   0.356  1.00  0.74           C
ATOM    782  C   SER C  57     -11.414  -0.565  -0.497  1.00  0.89           C
ATOM    783  O   SER C  57     -12.430   0.029  -0.131  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.599   0.879   0.457  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.216   1.381  -0.812  1.00  1.25           O
ATOM      0  H   SER C  57      -8.369  -0.991  -0.672  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.403  -0.900   1.355  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.357   1.530   0.893  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.741   0.894   1.129  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -9.182   0.645  -1.458  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.352  -1.250  -1.632  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.490  -1.320  -2.521  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.602  -2.676  -3.185  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.201  -3.691  -2.612  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.528  -1.760  -1.952  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.402  -1.113  -1.961  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.403  -0.547  -3.285  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -13.140  -2.693  -4.393  1.00  2.14           N
ATOM    799  CA  ASP C  59     -13.294  -3.931  -5.141  1.00  3.08           C
ATOM    800  C   ASP C  59     -12.084  -4.160  -6.034  1.00  3.78           C
ATOM    801  O   ASP C  59     -11.263  -3.262  -6.231  1.00  4.32           O
ATOM    802  CB  ASP C  59     -14.566  -3.895  -5.999  1.00  3.95           C
ATOM    803  CG  ASP C  59     -14.449  -2.952  -7.180  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -13.882  -3.353  -8.218  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -14.920  -1.801  -7.076  1.00  5.15           O
ATOM      0  H   ASP C  59     -13.478  -1.862  -4.878  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -13.376  -4.750  -4.426  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -14.783  -4.900  -6.362  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -15.409  -3.591  -5.379  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -11.972  -5.367  -6.563  1.00  4.28           N
ATOM    811  CA  VAL C  60     -10.911  -5.702  -7.486  1.00  5.35           C
ATOM    812  C   VAL C  60     -11.482  -6.269  -8.779  1.00  6.12           C
ATOM    813  O   VAL C  60     -10.952  -7.225  -9.347  1.00  6.50           O
ATOM    814  CB  VAL C  60      -9.931  -6.712  -6.863  1.00  5.93           C
ATOM    815  CG1 VAL C  60      -9.066  -6.034  -5.817  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -10.676  -7.891  -6.253  1.00  6.03           C
ATOM      0  H   VAL C  60     -12.612  -6.136  -6.364  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -10.367  -4.784  -7.710  1.00  5.35           H   new
ATOM      0  HB  VAL C  60      -9.287  -7.092  -7.656  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60      -8.379  -6.762  -5.386  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60      -8.497  -5.228  -6.282  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60      -9.700  -5.624  -5.031  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60      -9.960  -8.589  -5.820  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -11.349  -7.532  -5.475  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -11.253  -8.397  -7.027  1.00  6.03           H   new
ATOM    826  N   THR C  61     -12.568  -5.668  -9.239  1.00  6.63           N
ATOM    827  CA  THR C  61     -13.211  -6.105 -10.466  1.00  7.54           C
ATOM    828  C   THR C  61     -12.447  -5.578 -11.678  1.00  8.48           C
ATOM    829  O   THR C  61     -12.099  -4.394 -11.733  1.00  8.83           O
ATOM    830  CB  THR C  61     -14.681  -5.634 -10.534  1.00  7.91           C
ATOM    831  OG1 THR C  61     -14.750  -4.206 -10.444  1.00  7.75           O
ATOM    832  CG2 THR C  61     -15.501  -6.255  -9.415  1.00  8.22           C
ATOM      0  H   THR C  61     -13.021  -4.877  -8.781  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -13.202  -7.195 -10.474  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -15.094  -5.956 -11.490  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -14.689  -3.934  -9.504  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -16.532  -5.908  -9.484  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -15.476  -7.341  -9.505  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -15.083  -5.962  -8.452  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -12.137  -6.454 -12.647  1.00  9.10           N
ATOM    841  CA  PRO C  62     -11.437  -6.054 -13.871  1.00 10.15           C
ATOM    842  C   PRO C  62     -12.215  -4.995 -14.644  1.00 10.94           C
ATOM    843  O   PRO C  62     -13.422  -5.129 -14.855  1.00 11.04           O
ATOM    844  CB  PRO C  62     -11.354  -7.351 -14.685  1.00 10.68           C
ATOM    845  CG  PRO C  62     -11.528  -8.447 -13.691  1.00 10.16           C
ATOM    846  CD  PRO C  62     -12.429  -7.898 -12.623  1.00  9.07           C
ATOM      0  HA  PRO C  62     -10.463  -5.612 -13.660  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -12.130  -7.386 -15.450  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -10.396  -7.433 -15.198  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -11.967  -9.330 -14.156  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -10.568  -8.751 -13.273  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -13.478  -8.100 -12.838  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -12.213  -8.337 -11.649  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -11.522  -3.952 -15.070  1.00 11.65           N
ATOM    855  CA  ALA C  63     -12.156  -2.866 -15.801  1.00 12.54           C
ATOM    856  C   ALA C  63     -11.814  -2.951 -17.282  1.00 13.45           C
ATOM    857  O   ALA C  63     -10.640  -3.038 -17.639  1.00 13.86           O
ATOM    858  CB  ALA C  63     -11.723  -1.524 -15.229  1.00 13.10           C
ATOM      0  H   ALA C  63     -10.520  -3.834 -14.922  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -13.237  -2.957 -15.693  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -12.204  -0.719 -15.785  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -12.013  -1.465 -14.180  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -10.641  -1.425 -15.312  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -12.830  -2.947 -18.160  1.00 13.89           N
ATOM    865  CA  PRO C  64     -12.620  -2.974 -19.612  1.00 14.85           C
ATOM    866  C   PRO C  64     -11.848  -1.749 -20.097  1.00 15.87           C
ATOM    867  O   PRO C  64     -12.413  -0.669 -20.266  1.00 16.55           O
ATOM    868  CB  PRO C  64     -14.041  -2.977 -20.190  1.00 15.07           C
ATOM    869  CG  PRO C  64     -14.914  -3.428 -19.071  1.00 14.50           C
ATOM    870  CD  PRO C  64     -14.262  -2.929 -17.815  1.00 13.64           C
ATOM      0  HA  PRO C  64     -12.027  -3.835 -19.922  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -14.327  -1.984 -20.538  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -14.117  -3.649 -21.045  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -15.922  -3.025 -19.175  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -15.004  -4.514 -19.059  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -14.602  -1.927 -17.553  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -14.481  -3.572 -16.963  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -10.551  -1.917 -20.297  1.00 16.09           N
ATOM    879  CA  VAL C  65      -9.703  -0.826 -20.750  1.00 17.13           C
ATOM    880  C   VAL C  65      -9.658  -0.785 -22.266  1.00 17.88           C
ATOM    881  O   VAL C  65      -9.702   0.282 -22.879  1.00 18.07           O
ATOM    882  CB  VAL C  65      -8.269  -0.954 -20.188  1.00 17.14           C
ATOM    883  CG1 VAL C  65      -7.383   0.180 -20.680  1.00 17.22           C
ATOM    884  CG2 VAL C  65      -8.294  -0.988 -18.668  1.00 16.99           C
ATOM      0  H   VAL C  65     -10.061  -2.800 -20.153  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -10.134   0.103 -20.377  1.00 17.13           H   new
ATOM      0  HB  VAL C  65      -7.848  -1.892 -20.551  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65      -6.381   0.063 -20.268  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65      -7.333   0.157 -21.769  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65      -7.799   1.134 -20.356  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65      -7.276  -1.078 -18.289  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65      -8.741  -0.068 -18.291  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65      -8.883  -1.842 -18.333  1.00 16.99           H   new
ATOM    894  N   GLU C  66      -9.597  -1.956 -22.858  1.00 18.42           N
ATOM    895  CA  GLU C  66      -9.552  -2.082 -24.303  1.00 19.24           C
ATOM    896  C   GLU C  66     -10.963  -2.179 -24.860  1.00 19.89           C
ATOM    897  O   GLU C  66     -11.545  -3.281 -24.820  1.00 20.26           O
ATOM    898  CB  GLU C  66      -8.735  -3.309 -24.712  1.00 19.51           C
ATOM    899  CG  GLU C  66      -7.282  -3.240 -24.275  1.00 19.47           C
ATOM    900  CD  GLU C  66      -6.485  -4.450 -24.713  1.00 19.59           C
ATOM    901  OE1 GLU C  66      -6.481  -5.462 -23.980  1.00 19.84           O
ATOM    902  OE2 GLU C  66      -5.866  -4.400 -25.793  1.00 19.53           O
ATOM    903  OXT GLU C  66     -11.490  -1.144 -25.320  1.00 20.13           O
ATOM      0  H   GLU C  66      -9.577  -2.845 -22.358  1.00 18.42           H   new
ATOM      0  HA  GLU C  66      -9.068  -1.196 -24.715  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66      -9.193  -4.201 -24.284  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66      -8.776  -3.419 -25.796  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66      -6.825  -2.340 -24.686  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66      -7.237  -3.153 -23.189  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.822   7.723  -0.762  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -3.851  -4.253   0.293  1.00  0.49          ZN