USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 282 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 Single : A   2 THR OG1 :   rot  -17:sc=   0.396
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=  -0.405
USER  MOD Single : A   8 LYS NZ  :NH3+   -163:sc= -0.0392   (180deg=-0.284)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot -136:sc=   0.466
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  -55:sc=   0.058
USER  MOD Single : A  23 ASN     :      amide:sc=   0.135  K(o=0.14,f=-11!)
USER  MOD Single : A  26 TYR OH  :   rot   27:sc=  -0.222
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot -140:sc=  -0.084
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     10  N   THR A   2      -0.025  -0.429   7.750  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.515  -0.197   6.400  1.00  0.62           C
ATOM     12  C   THR A   2       0.543  -0.570   5.363  1.00  0.47           C
ATOM     13  O   THR A   2       1.005   0.274   4.592  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.935   1.273   6.219  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.008   2.133   6.898  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.338   1.504   6.756  1.00  1.00           C
ATOM      0  HA  THR A   2      -1.387  -0.833   6.248  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.930   1.503   5.154  1.00  0.67           H   new
ATOM      0  HG1 THR A   2       0.520   1.607   7.535  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.613   2.550   6.617  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.042   0.869   6.219  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.366   1.259   7.818  1.00  1.00           H   new
ATOM     24  N   THR A   3       0.917  -1.841   5.353  1.00  0.58           N
ATOM     25  CA  THR A   3       1.951  -2.349   4.461  1.00  0.55           C
ATOM     26  C   THR A   3       1.582  -3.755   3.983  1.00  0.43           C
ATOM     27  O   THR A   3       1.028  -4.546   4.749  1.00  0.53           O
ATOM     28  CB  THR A   3       3.315  -2.391   5.193  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.573  -1.125   5.816  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.450  -2.715   4.238  1.00  0.98           C
ATOM      0  H   THR A   3       0.512  -2.551   5.964  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.029  -1.684   3.601  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.262  -3.177   5.946  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.436  -1.158   6.279  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.392  -2.736   4.786  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.274  -3.689   3.781  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.500  -1.953   3.460  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.865  -4.065   2.723  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.542  -5.375   2.175  1.00  0.45           C
ATOM     40  C   CYS A   4       2.743  -5.968   1.443  1.00  0.38           C
ATOM     41  O   CYS A   4       3.666  -5.250   1.061  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.349  -5.279   1.219  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.722  -4.484  -0.382  1.00  1.01           S
ATOM      0  H   CYS A   4       2.316  -3.429   2.065  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.280  -6.030   3.006  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.032  -6.283   1.032  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.449  -4.722   1.709  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.734  -7.282   1.267  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.775  -7.968   0.516  1.00  0.50           C
ATOM     50  C   TYR A   5       3.202  -8.588  -0.746  1.00  0.61           C
ATOM     51  O   TYR A   5       2.545  -9.629  -0.696  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.435  -9.060   1.361  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.431  -8.547   2.375  1.00  0.56           C
ATOM     54  CD1 TYR A   5       5.005  -8.090   3.618  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.789  -8.500   2.088  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.907  -7.606   4.547  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.697  -8.014   3.010  1.00  0.66           C
ATOM     58  CZ  TYR A   5       7.276  -7.640   4.249  1.00  0.70           C
ATOM     59  OH  TYR A   5       8.155  -7.074   5.155  1.00  0.81           O
ATOM      0  H   TYR A   5       2.011  -7.898   1.638  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.528  -7.227   0.246  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.658  -9.618   1.883  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.940  -9.762   0.697  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.953  -8.114   3.861  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       7.141  -8.849   1.129  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.562  -7.207   5.489  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.741  -7.931   2.747  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       9.072  -7.168   4.823  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.430  -7.943  -1.872  1.00  0.51           N
ATOM     70  CA  CYS A   6       3.039  -8.502  -3.151  1.00  0.62           C
ATOM     71  C   CYS A   6       4.185  -9.352  -3.685  1.00  0.70           C
ATOM     72  O   CYS A   6       5.087  -8.851  -4.366  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.673  -7.391  -4.142  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.290  -6.332  -3.597  1.00  1.20           S
ATOM      0  H   CYS A   6       3.884  -7.031  -1.928  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       2.155  -9.126  -3.022  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.550  -6.766  -4.311  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.415  -7.843  -5.099  1.00  0.61           H   new
ATOM     79  N   GLY A   7       4.164 -10.634  -3.340  1.00  0.85           N
ATOM     80  CA  GLY A   7       5.250 -11.519  -3.698  1.00  0.97           C
ATOM     81  C   GLY A   7       6.508 -11.193  -2.925  1.00  0.93           C
ATOM     82  O   GLY A   7       6.535 -11.287  -1.697  1.00  1.01           O
ATOM      0  H   GLY A   7       3.409 -11.076  -2.816  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       4.959 -12.551  -3.503  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       5.448 -11.440  -4.767  1.00  0.97           H   new
ATOM     86  N   LYS A   8       7.545 -10.799  -3.641  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.784 -10.376  -3.017  1.00  0.94           C
ATOM     88  C   LYS A   8       8.747  -8.889  -2.714  1.00  0.79           C
ATOM     89  O   LYS A   8       9.524  -8.398  -1.897  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.975 -10.656  -3.935  1.00  1.16           C
ATOM     91  CG  LYS A   8      10.330 -12.122  -4.096  1.00  1.65           C
ATOM     92  CD  LYS A   8      11.434 -12.292  -5.130  1.00  2.18           C
ATOM     93  CE  LYS A   8      12.041 -13.681  -5.094  1.00  3.07           C
ATOM     94  NZ  LYS A   8      12.796 -13.927  -3.838  1.00  3.65           N
ATOM      0  H   LYS A   8       7.553 -10.763  -4.660  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       8.896 -10.939  -2.090  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.762 -10.239  -4.919  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8      10.846 -10.127  -3.547  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8      10.654 -12.531  -3.139  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.448 -12.685  -4.401  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.032 -12.099  -6.124  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      12.214 -11.551  -4.952  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      11.250 -14.425  -5.193  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      12.707 -13.808  -5.948  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      13.423 -14.747  -3.965  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      13.366 -13.089  -3.606  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      12.129 -14.118  -3.063  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.844  -8.176  -3.363  1.00  0.66           N
ATOM    109  CA  THR A   9       7.861  -6.733  -3.306  1.00  0.55           C
ATOM    110  C   THR A   9       6.953  -6.215  -2.197  1.00  0.42           C
ATOM    111  O   THR A   9       5.741  -6.430  -2.214  1.00  0.42           O
ATOM    112  CB  THR A   9       7.443  -6.119  -4.651  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.013  -6.875  -5.732  1.00  0.72           O
ATOM    114  CG2 THR A   9       7.920  -4.679  -4.746  1.00  0.50           C
ATOM      0  H   THR A   9       7.096  -8.573  -3.931  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.885  -6.431  -3.088  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.355  -6.143  -4.718  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       7.741  -6.480  -6.587  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       7.616  -4.258  -5.704  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.480  -4.096  -3.937  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.007  -4.650  -4.665  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.556  -5.546  -1.233  1.00  0.39           N
ATOM    123  CA  ILE A  10       6.812  -4.955  -0.137  1.00  0.32           C
ATOM    124  C   ILE A  10       6.332  -3.558  -0.524  1.00  0.24           C
ATOM    125  O   ILE A  10       7.108  -2.735  -1.020  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.662  -4.905   1.157  1.00  0.46           C
ATOM    127  CG1 ILE A  10       6.933  -4.137   2.265  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.032  -4.294   0.887  1.00  0.56           C
ATOM    129  CD1 ILE A  10       7.696  -4.073   3.571  1.00  1.06           C
ATOM      0  H   ILE A  10       8.564  -5.398  -1.187  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       5.944  -5.582   0.065  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       7.810  -5.930   1.498  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.736  -3.122   1.921  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       5.966  -4.607   2.443  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.609  -4.271   1.812  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.559  -4.895   0.146  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       8.910  -3.279   0.510  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.115  -3.514   4.305  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       7.870  -5.084   3.940  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.652  -3.576   3.410  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.048  -3.306  -0.322  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.471  -2.034  -0.694  1.00  0.32           C
ATOM    143  C   GLY A  11       3.675  -1.418   0.434  1.00  0.28           C
ATOM    144  O   GLY A  11       3.299  -2.105   1.383  1.00  0.36           O
ATOM      0  H   GLY A  11       4.392  -3.966   0.096  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.265  -1.350  -0.992  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.825  -2.170  -1.561  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.416  -0.129   0.329  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.684   0.589   1.355  1.00  0.25           C
ATOM    150  C   ILE A  12       1.215   0.705   0.943  1.00  0.22           C
ATOM    151  O   ILE A  12       0.897   1.037  -0.204  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.333   1.978   1.623  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.679   2.717   2.809  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.317   2.833   0.368  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.390   3.448   2.484  1.00  0.29           C
ATOM      0  H   ILE A  12       3.704   0.446  -0.463  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.729   0.037   2.294  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.371   1.796   1.903  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.479   1.995   3.600  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.395   3.436   3.208  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.776   3.799   0.580  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.876   2.331  -0.421  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.287   2.984   0.044  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       1.011   3.934   3.383  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.581   4.200   1.718  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.651   2.736   2.117  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.324   0.398   1.873  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.098   0.333   1.579  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.765   1.688   1.773  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.021   2.114   2.899  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.765  -0.725   2.461  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.233  -0.937   2.165  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -3.717  -0.857   0.866  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.131  -1.227   3.183  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.053  -1.054   0.592  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.470  -1.430   2.914  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -5.925  -1.345   1.617  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.251  -1.557   1.339  1.00  0.80           O
ATOM      0  H   TYR A  13       0.563   0.189   2.842  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.219   0.052   0.533  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.239  -1.672   2.336  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.654  -0.435   3.506  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.036  -0.637   0.058  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.777  -1.295   4.201  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.415  -0.980  -0.423  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.157  -1.654   3.717  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.732  -1.752   2.170  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.044   2.356   0.665  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.737   3.631   0.691  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.241   3.414   0.745  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.927   3.458  -0.277  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.369   4.461  -0.536  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.929   4.864  -0.569  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.083   4.247  -1.249  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.338   5.973   0.111  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.267   4.908  -1.027  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.036   5.966  -0.192  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.835   6.970   0.954  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.914   6.924   0.309  1.00  0.40           C
ATOM    200  CZ3 TRP A  14       0.038   7.919   1.451  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.399   7.885   1.128  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.798   2.032  -0.270  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.429   4.174   1.585  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.600   3.889  -1.435  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -2.990   5.356  -0.560  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.031   3.370  -1.869  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.172   4.651  -1.421  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.883   6.999   1.213  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.964   6.906   0.058  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.336   8.698   2.098  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       2.057   8.637   1.537  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.740   3.152   1.939  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.165   2.964   2.151  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.879   4.313   2.109  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.596   5.197   2.914  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.399   2.269   3.499  1.00  0.46           C
ATOM    217  CG  PHE A  15      -7.845   2.037   3.832  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.631   1.229   3.028  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.421   2.635   4.940  1.00  0.62           C
ATOM    220  CE1 PHE A  15      -9.962   1.016   3.324  1.00  0.75           C
ATOM    221  CE2 PHE A  15      -9.753   2.427   5.243  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.515   1.602   4.464  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.175   3.064   2.784  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.570   2.335   1.359  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -5.881   1.310   3.495  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -5.949   2.871   4.288  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.197   0.759   2.158  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -7.822   3.271   5.575  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.571   0.401   2.679  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.193   2.918   6.098  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.543   1.404   4.730  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.783   4.476   1.157  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.495   5.731   1.028  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.290   6.374  -0.326  1.00  0.65           C
ATOM    235  O   GLY A  16      -9.097   7.200  -0.755  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.037   3.764   0.472  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.559   5.560   1.188  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.161   6.417   1.807  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.210   6.007  -1.001  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.924   6.550  -2.319  1.00  0.47           C
ATOM    241  C   THR A  17      -6.558   5.434  -3.290  1.00  0.50           C
ATOM    242  O   THR A  17      -6.099   4.369  -2.877  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.785   7.606  -2.284  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.566   8.137  -3.599  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.481   7.021  -1.754  1.00  0.47           C
ATOM      0  H   THR A  17      -6.520   5.338  -0.659  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.832   7.048  -2.660  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -6.100   8.400  -1.607  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.603   8.189  -3.774  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.712   7.794  -1.747  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.634   6.651  -0.740  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.164   6.199  -2.396  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.799   5.671  -4.571  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.403   4.729  -5.609  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.265   5.318  -6.425  1.00  0.64           C
ATOM    256  O   LYS A  18      -4.851   4.757  -7.442  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.576   4.386  -6.524  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.721   3.677  -5.820  1.00  1.70           C
ATOM    259  CD  LYS A  18      -9.776   3.232  -6.816  1.00  2.32           C
ATOM    260  CE  LYS A  18     -10.951   2.556  -6.131  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -11.960   2.090  -7.116  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.267   6.508  -4.917  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.072   3.809  -5.127  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.953   5.304  -6.975  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.217   3.756  -7.338  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.340   2.812  -5.277  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -9.169   4.344  -5.083  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18     -10.131   4.095  -7.379  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.330   2.545  -7.535  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -10.594   1.709  -5.546  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -11.416   3.252  -5.433  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -12.749   1.633  -6.615  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -12.318   2.903  -7.657  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -11.521   1.407  -7.766  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.767   6.459  -5.973  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.666   7.127  -6.638  1.00  0.69           C
ATOM    277  C   THR A  19      -2.388   6.987  -5.820  1.00  0.60           C
ATOM    278  O   THR A  19      -2.330   7.440  -4.678  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.967   8.626  -6.841  1.00  0.84           C
ATOM    280  OG1 THR A  19      -5.208   8.793  -7.542  1.00  1.60           O
ATOM    281  CG2 THR A  19      -2.851   9.308  -7.618  1.00  1.50           C
ATOM      0  H   THR A  19      -5.112   6.941  -5.143  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.535   6.655  -7.612  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.040   9.088  -5.856  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -5.389   9.748  -7.663  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -3.090  10.364  -7.746  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -1.914   9.212  -7.069  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -2.748   8.838  -8.596  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.378   6.342  -6.391  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.073   6.265  -5.749  1.00  0.62           C
ATOM    291  C   CYS A  20       0.572   7.649  -5.736  1.00  0.52           C
ATOM    292  O   CYS A  20       0.834   8.218  -6.796  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.843   5.279  -6.485  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.225   3.561  -6.557  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.437   5.868  -7.292  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.211   5.911  -4.728  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       0.995   5.638  -7.503  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.818   5.279  -5.998  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.811   8.214  -4.542  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.432   9.535  -4.398  1.00  0.56           C
ATOM    301  C   PRO A  21       2.792   9.590  -5.090  1.00  0.71           C
ATOM    302  O   PRO A  21       3.709   8.837  -4.749  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.590   9.705  -2.882  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.626   8.741  -2.273  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.497   7.602  -3.241  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.835  10.324  -4.856  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.611   9.491  -2.567  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       1.369  10.728  -2.576  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       0.986   8.390  -1.306  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.340   9.215  -2.100  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.187   6.793  -3.002  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.507   7.178  -3.230  1.00  0.49           H   new
ATOM    313  N   SER A  22       2.921  10.489  -6.053  1.00  0.99           N
ATOM    314  CA  SER A  22       4.111  10.560  -6.884  1.00  1.26           C
ATOM    315  C   SER A  22       5.197  11.394  -6.204  1.00  1.32           C
ATOM    316  O   SER A  22       5.780  12.303  -6.797  1.00  1.83           O
ATOM    317  CB  SER A  22       3.753  11.141  -8.257  1.00  1.68           C
ATOM    318  OG  SER A  22       4.800  10.948  -9.195  1.00  2.07           O
ATOM      0  H   SER A  22       2.210  11.184  -6.279  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.504   9.553  -7.023  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       2.842  10.670  -8.626  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       3.544  12.206  -8.159  1.00  1.68           H   new
ATOM      0  HG  SER A  22       5.631  11.329  -8.841  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.455  11.079  -4.944  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.513  11.732  -4.190  1.00  1.20           C
ATOM    326  C   ASN A  23       7.424  10.687  -3.558  1.00  1.07           C
ATOM    327  O   ASN A  23       8.232  10.990  -2.683  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.931  12.664  -3.119  1.00  1.39           C
ATOM    329  CG  ASN A  23       5.144  11.933  -2.042  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.577  10.864  -2.272  1.00  1.83           O
ATOM    331  ND2 ASN A  23       5.095  12.513  -0.853  1.00  1.61           N
ATOM      0  H   ASN A  23       4.942  10.370  -4.420  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.101  12.341  -4.876  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       6.744  13.219  -2.651  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.281  13.396  -3.599  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       4.576  12.074  -0.093  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       5.576  13.399  -0.697  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.278   9.449  -4.013  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.106   8.351  -3.533  1.00  1.02           C
ATOM    340  C   ARG A  24       8.931   7.755  -4.665  1.00  1.13           C
ATOM    341  O   ARG A  24      10.157   7.688  -4.589  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.253   7.249  -2.909  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.084   7.347  -1.402  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.180   8.494  -0.988  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.853   8.427   0.435  1.00  2.03           N
ATOM    346  CZ  ARG A  24       4.831   9.067   0.999  1.00  2.71           C
ATOM    347  NH1 ARG A  24       4.058   9.862   0.268  1.00  3.19           N
ATOM    348  NH2 ARG A  24       4.589   8.914   2.295  1.00  3.39           N
ATOM      0  H   ARG A  24       6.591   9.180  -4.717  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.773   8.761  -2.775  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.267   7.267  -3.373  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       7.700   6.284  -3.148  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       6.672   6.411  -1.025  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       8.062   7.475  -0.938  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.670   9.443  -1.206  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       5.262   8.467  -1.576  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       6.446   7.853   1.034  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       4.247   9.983  -0.727  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       3.275  10.352   0.702  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       5.186   8.307   2.857  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       3.806   9.404   2.729  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.243   7.334  -5.718  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.900   6.655  -6.817  1.00  1.10           C
ATOM    364  C   GLY A  25       8.337   5.266  -7.033  1.00  0.81           C
ATOM    365  O   GLY A  25       9.074   4.328  -7.337  1.00  0.78           O
ATOM      0  H   GLY A  25       7.236   7.452  -5.831  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.783   7.241  -7.729  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.969   6.587  -6.616  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.024   5.135  -6.873  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.353   3.848  -7.012  1.00  0.50           C
ATOM    371  C   TYR A  26       6.402   3.364  -8.454  1.00  0.49           C
ATOM    372  O   TYR A  26       6.282   4.152  -9.390  1.00  0.71           O
ATOM    373  CB  TYR A  26       4.898   3.951  -6.556  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.741   4.357  -5.111  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.235   3.556  -4.093  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.093   5.536  -4.762  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.098   3.917  -2.768  1.00  2.35           C
ATOM    378  CE2 TYR A  26       3.951   5.904  -3.439  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.453   5.092  -2.447  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.315   5.454  -1.128  1.00  3.45           O
ATOM      0  H   TYR A  26       6.401   5.910  -6.646  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       6.876   3.129  -6.382  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.380   4.674  -7.186  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.410   2.988  -6.709  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.736   2.632  -4.341  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.695   6.174  -5.537  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.493   3.283  -1.988  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.448   6.825  -3.183  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.043   5.061  -0.603  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.580   2.066  -8.625  1.00  0.41           N
ATOM    391  CA  THR A  27       6.634   1.478  -9.953  1.00  0.53           C
ATOM    392  C   THR A  27       5.424   0.589 -10.195  1.00  0.45           C
ATOM    393  O   THR A  27       4.900   0.524 -11.305  1.00  0.67           O
ATOM    394  CB  THR A  27       7.925   0.666 -10.145  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.056   1.495  -9.861  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.033   0.129 -11.565  1.00  1.33           C
ATOM      0  H   THR A  27       6.690   1.399  -7.861  1.00  0.41           H   new
ATOM      0  HA  THR A  27       6.626   2.293 -10.677  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.901  -0.182  -9.460  1.00  0.66           H   new
ATOM      0  HG1 THR A  27       9.879   0.977  -9.982  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       8.956  -0.441 -11.669  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.182  -0.518 -11.775  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.039   0.961 -12.269  1.00  1.33           H   new
ATOM    404  N   GLY A  28       4.976  -0.084  -9.147  1.00  0.29           N
ATOM    405  CA  GLY A  28       3.839  -0.965  -9.271  1.00  0.31           C
ATOM    406  C   GLY A  28       2.891  -0.812  -8.106  1.00  0.29           C
ATOM    407  O   GLY A  28       3.184  -0.081  -7.157  1.00  0.35           O
ATOM      0  H   GLY A  28       5.381  -0.034  -8.212  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.312  -0.752 -10.201  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.182  -1.998  -9.329  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.767  -1.499  -8.161  1.00  0.31           N
ATOM    412  CA  SER A  29       0.777  -1.403  -7.107  1.00  0.34           C
ATOM    413  C   SER A  29      -0.118  -2.636  -7.067  1.00  0.37           C
ATOM    414  O   SER A  29      -0.219  -3.377  -8.045  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.065  -0.140  -7.304  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.489  -0.013  -8.653  1.00  0.96           O
ATOM      0  H   SER A  29       1.517  -2.129  -8.923  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.300  -1.345  -6.152  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.935  -0.173  -6.648  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.516   0.737  -7.018  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.432   0.926  -8.927  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.730  -2.861  -5.920  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.700  -3.926  -5.754  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.013  -3.332  -5.260  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.073  -2.771  -4.163  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.181  -4.981  -4.769  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.325  -5.848  -5.321  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.568  -2.310  -5.077  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.864  -4.417  -6.713  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -0.979  -4.499  -3.812  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.966  -5.717  -4.596  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.048  -3.419  -6.084  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.335  -2.859  -5.720  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.986  -3.626  -4.587  1.00  0.40           C
ATOM    435  O   GLY A  31      -6.050  -4.856  -4.623  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.020  -3.868  -6.999  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.207  -1.817  -5.427  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -5.993  -2.867  -6.589  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.458  -2.905  -3.580  1.00  0.38           N
ATOM    440  CA  TYR A  32      -7.090  -3.526  -2.425  1.00  0.42           C
ATOM    441  C   TYR A  32      -8.368  -2.780  -2.034  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.742  -1.803  -2.686  1.00  0.41           O
ATOM    443  CB  TYR A  32      -6.103  -3.608  -1.251  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.121  -4.754  -1.365  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -5.557  -6.071  -1.357  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -3.755  -4.517  -1.482  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -4.665  -7.120  -1.465  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -2.855  -5.563  -1.590  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -3.310  -6.858  -1.566  1.00  1.34           C
ATOM    450  OH  TYR A  32      -2.427  -7.907  -1.691  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.415  -1.887  -3.540  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -7.376  -4.543  -2.693  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -5.550  -2.671  -1.186  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -6.664  -3.712  -0.322  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -6.613  -6.280  -1.265  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -3.391  -3.500  -1.489  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -5.023  -8.139  -1.471  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -1.799  -5.361  -1.693  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -1.513  -7.559  -1.752  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -9.025  -3.245  -0.973  1.00  0.48           N
ATOM    461  CA  PHE A  33     -10.342  -2.739  -0.575  1.00  0.54           C
ATOM    462  C   PHE A  33     -10.339  -1.232  -0.313  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.892  -0.780   0.740  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.826  -3.469   0.678  1.00  0.64           C
ATOM    465  CG  PHE A  33     -10.951  -4.955   0.503  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -12.068  -5.500  -0.109  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -9.960  -5.808   0.962  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -12.191  -6.866  -0.265  1.00  1.63           C
ATOM    469  CE2 PHE A  33     -10.076  -7.175   0.809  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -11.195  -7.705   0.197  1.00  1.96           C
ATOM      0  H   PHE A  33      -8.663  -3.980  -0.366  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -11.018  -2.927  -1.409  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33     -10.134  -3.266   1.496  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.795  -3.064   0.972  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -12.851  -4.849  -0.468  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -9.086  -5.398   1.446  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -13.065  -7.279  -0.748  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -9.294  -7.828   1.167  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33     -11.291  -8.774   0.080  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.855  -0.473  -1.280  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.962   0.986  -1.180  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.595   1.637  -0.996  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.480   2.735  -0.443  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.908   1.406  -0.041  1.00  0.63           C
ATOM    485  CG  LEU A  34     -13.413   1.314  -0.351  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.754   2.126  -1.591  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.857  -0.133  -0.520  1.00  1.57           C
ATOM      0  H   LEU A  34     -11.212  -0.852  -2.157  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.383   1.337  -2.122  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -11.697   0.784   0.829  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.676   2.434   0.238  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.954   1.732   0.498  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.822   2.049  -1.794  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -13.491   3.171  -1.426  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.194   1.741  -2.443  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.925  -0.163  -0.738  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.306  -0.589  -1.342  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.659  -0.684   0.399  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.560   0.967  -1.474  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.226   1.503  -1.362  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.285   0.890  -2.369  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.645  -0.048  -3.082  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.622   0.061  -1.938  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.256   2.583  -1.504  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.847   1.325  -0.356  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.079   1.414  -2.431  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.080   0.892  -3.339  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.757   0.697  -2.611  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.234   1.610  -1.976  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.903   1.810  -4.572  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.928   1.188  -5.568  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.440   3.200  -4.158  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.810   1.971  -6.856  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.767   2.202  -1.863  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.424  -0.077  -3.701  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.873   1.913  -5.059  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.944   1.113  -5.105  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.251   0.172  -5.796  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.324   3.824  -5.044  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.180   3.647  -3.494  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.484   3.126  -3.639  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.102   1.475  -7.520  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.785   2.024  -7.340  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.458   2.979  -6.638  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.240  -0.510  -2.658  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.988  -0.815  -1.996  1.00  0.27           C
ATOM    527  C   CYS A  37       0.155  -0.679  -3.000  1.00  0.24           C
ATOM    528  O   CYS A  37       0.399  -1.575  -3.804  1.00  0.33           O
ATOM    529  CB  CYS A  37      -1.050  -2.221  -1.394  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.211  -2.538  -0.115  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.666  -1.297  -3.147  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.811  -0.114  -1.180  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -2.038  -2.376  -0.961  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -0.933  -2.953  -2.193  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.829   0.464  -2.964  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.825   0.806  -3.976  1.00  0.25           C
ATOM    537  C   CYS A  38       3.229   0.398  -3.535  1.00  0.20           C
ATOM    538  O   CYS A  38       3.596   0.560  -2.369  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.793   2.311  -4.257  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.131   2.970  -4.617  1.00  1.14           S
ATOM      0  H   CYS A  38       0.704   1.174  -2.242  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.578   0.258  -4.885  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.202   2.839  -3.395  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.447   2.525  -5.102  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.017  -0.114  -4.474  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.378  -0.543  -4.180  1.00  0.21           C
ATOM    547  C   TYR A  39       6.359  -0.038  -5.243  1.00  0.25           C
ATOM    548  O   TYR A  39       5.954   0.315  -6.356  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.452  -2.070  -4.051  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.837  -2.844  -5.197  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.494  -2.936  -6.415  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.597  -3.463  -5.073  1.00  0.33           C
ATOM    553  CE1 TYR A  39       4.937  -3.623  -7.474  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.033  -4.149  -6.132  1.00  0.41           C
ATOM    555  CZ  TYR A  39       3.706  -4.306  -7.276  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.153  -4.907  -8.390  1.00  0.57           O
ATOM      0  H   TYR A  39       3.736  -0.242  -5.446  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.667  -0.106  -3.224  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.498  -2.360  -3.958  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.956  -2.365  -3.127  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.457  -2.462  -6.536  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.067  -3.406  -4.134  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       5.427  -3.642  -8.436  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.040  -4.562  -6.034  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.313  -5.346  -8.142  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.666   0.021  -4.920  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.211  -0.353  -3.597  1.00  0.27           C
ATOM    568  C   PRO A  40       7.691   0.543  -2.477  1.00  0.31           C
ATOM    569  O   PRO A  40       7.292   1.681  -2.719  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.722  -0.158  -3.755  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.960  -0.155  -5.224  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.731   0.455  -5.833  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.921  -1.367  -3.321  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.049   0.777  -3.301  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.276  -0.960  -3.267  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.850   0.423  -5.475  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.121  -1.167  -5.597  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.802   1.541  -5.885  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.563   0.098  -6.849  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.679   0.012  -1.259  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.176   0.742  -0.106  1.00  0.50           C
ATOM    582  C   VAL A  41       8.027   1.978   0.202  1.00  0.62           C
ATOM    583  O   VAL A  41       9.102   1.888   0.805  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.067  -0.169   1.146  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.392  -0.845   1.464  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.561   0.620   2.345  1.00  1.13           C
ATOM      0  H   VAL A  41       8.015  -0.927  -1.046  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       6.173   1.082  -0.365  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       6.345  -0.953   0.920  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       8.277  -1.474   2.346  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.699  -1.459   0.618  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       9.151  -0.086   1.656  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.492  -0.038   3.211  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       7.252   1.435   2.562  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       5.576   1.030   2.122  1.00  1.13           H   new