USER  MOD reduce.3.24.130724 H: found=0, std=0, add=218, rem=0, adj=4
USER  MOD reduce.3.24.130724 removed 217 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   3 HIS     :     no HD1:sc=  -0.283  X(o=-0.28,f=-0.31)
USER  MOD Single : A   7 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  12 LYS NZ  :NH3+   -164:sc= 0.00354   (180deg=0)
USER  MOD Single : A  14 LYS NZ  :NH3+   -170:sc=       0   (180deg=-0.0604)
USER  MOD Single : A  16 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  17 HIS     :     no HD1:sc=       0  X(o=0,f=-0.011)
USER  MOD Single : A  20 LYS NZ  :NH3+    167:sc=-0.00897   (180deg=-0.146)
USER  MOD -----------------------------------------------------------------
ATOM     15  N   CYS A   2       2.541  -0.646  -2.617  1.00 33.53           N
ATOM     16  CA  CYS A   2       3.279  -1.876  -2.356  1.00  4.02           C
ATOM     17  C   CYS A   2       3.990  -2.362  -3.616  1.00 52.41           C
ATOM     18  O   CYS A   2       3.413  -2.368  -4.704  1.00 35.11           O
ATOM     19  CB  CYS A   2       2.335  -2.963  -1.838  1.00 42.14           C
ATOM     20  SG  CYS A   2       1.029  -3.436  -3.017  1.00  1.11           S
ATOM      0  HA  CYS A   2       4.030  -1.664  -1.595  1.00  4.02           H   new
ATOM      0  HB2 CYS A   2       2.920  -3.848  -1.586  1.00 42.14           H   new
ATOM      0  HB3 CYS A   2       1.869  -2.616  -0.916  1.00 42.14           H   new
ATOM     25  N   HIS A   3       5.246  -2.768  -3.461  1.00 51.03           N
ATOM     26  CA  HIS A   3       6.035  -3.256  -4.586  1.00 65.43           C
ATOM     27  C   HIS A   3       6.945  -4.403  -4.155  1.00 32.04           C
ATOM     28  O   HIS A   3       7.151  -4.629  -2.962  1.00 11.12           O
ATOM     29  CB  HIS A   3       6.872  -2.123  -5.180  1.00 52.41           C
ATOM     30  CG  HIS A   3       7.325  -2.384  -6.583  1.00 64.43           C
ATOM     31  ND1 HIS A   3       6.458  -2.464  -7.652  1.00 72.31           N
ATOM     32  CD2 HIS A   3       8.564  -2.583  -7.091  1.00 24.13           C
ATOM     33  CE1 HIS A   3       7.143  -2.703  -8.756  1.00  4.41           C
ATOM     34  NE2 HIS A   3       8.424  -2.779  -8.443  1.00  3.33           N
ATOM      0  H   HIS A   3       5.739  -2.769  -2.568  1.00 51.03           H   new
ATOM      0  HA  HIS A   3       5.347  -3.626  -5.346  1.00 65.43           H   new
ATOM      0  HB2 HIS A   3       6.288  -1.203  -5.161  1.00 52.41           H   new
ATOM      0  HB3 HIS A   3       7.746  -1.959  -4.550  1.00 52.41           H   new
ATOM      0  HD2 HIS A   3       9.490  -2.587  -6.536  1.00 24.13           H   new
ATOM      0  HE1 HIS A   3       6.727  -2.817  -9.746  1.00  4.41           H   new
ATOM      0  HE2 HIS A   3       9.185  -2.955  -9.099  1.00  3.33           H   new
ATOM     42  N   ILE A   4       7.485  -5.123  -5.132  1.00 32.42           N
ATOM     43  CA  ILE A   4       8.372  -6.246  -4.852  1.00 52.21           C
ATOM     44  C   ILE A   4       8.944  -6.828  -6.140  1.00 22.20           C
ATOM     45  O   ILE A   4       8.284  -6.831  -7.179  1.00 42.22           O
ATOM     46  CB  ILE A   4       7.643  -7.360  -4.078  1.00  1.23           C
ATOM     47  CG1 ILE A   4       8.649  -8.379  -3.539  1.00 45.22           C
ATOM     48  CG2 ILE A   4       6.617  -8.042  -4.970  1.00 40.54           C
ATOM     49  CD1 ILE A   4       9.630  -7.794  -2.547  1.00 50.51           C
ATOM      0  H   ILE A   4       7.324  -4.949  -6.124  1.00 32.42           H   new
ATOM      0  HA  ILE A   4       9.185  -5.860  -4.237  1.00 52.21           H   new
ATOM      0  HB  ILE A   4       7.120  -6.912  -3.233  1.00  1.23           H   new
ATOM      0 HG12 ILE A   4       8.107  -9.196  -3.063  1.00 45.22           H   new
ATOM      0 HG13 ILE A   4       9.202  -8.808  -4.374  1.00 45.22           H   new
ATOM      0 HG21 ILE A   4       6.111  -8.827  -4.408  1.00 40.54           H   new
ATOM      0 HG22 ILE A   4       5.885  -7.309  -5.309  1.00 40.54           H   new
ATOM      0 HG23 ILE A   4       7.119  -8.480  -5.833  1.00 40.54           H   new
ATOM      0 HD11 ILE A   4      10.312  -8.573  -2.207  1.00 50.51           H   new
ATOM      0 HD12 ILE A   4      10.199  -6.997  -3.025  1.00 50.51           H   new
ATOM      0 HD13 ILE A   4       9.087  -7.390  -1.693  1.00 50.51           H   new
ATOM     61  N   ARG A   5      10.175  -7.323  -6.063  1.00 45.53           N
ATOM     62  CA  ARG A   5      10.837  -7.909  -7.223  1.00  0.33           C
ATOM     63  C   ARG A   5       9.946  -8.954  -7.886  1.00 75.24           C
ATOM     64  O   ARG A   5       9.867  -9.029  -9.113  1.00 20.23           O
ATOM     65  CB  ARG A   5      12.166  -8.544  -6.811  1.00 45.31           C
ATOM     66  CG  ARG A   5      12.049  -9.490  -5.628  1.00 32.24           C
ATOM     67  CD  ARG A   5      13.410 -10.012  -5.194  1.00 52.01           C
ATOM     68  NE  ARG A   5      14.103 -10.700  -6.280  1.00  5.22           N
ATOM     69  CZ  ARG A   5      15.173 -11.467  -6.099  1.00 50.42           C
ATOM     70  NH1 ARG A   5      15.669 -11.643  -4.882  1.00 55.02           N
ATOM     71  NH2 ARG A   5      15.749 -12.059  -7.137  1.00 72.34           N
ATOM      0  H   ARG A   5      10.734  -7.330  -5.210  1.00 45.53           H   new
ATOM      0  HA  ARG A   5      11.030  -7.112  -7.941  1.00  0.33           H   new
ATOM      0  HB2 ARG A   5      12.578  -9.088  -7.661  1.00 45.31           H   new
ATOM      0  HB3 ARG A   5      12.875  -7.754  -6.565  1.00 45.31           H   new
ATOM      0  HG2 ARG A   5      11.573  -8.974  -4.794  1.00 32.24           H   new
ATOM      0  HG3 ARG A   5      11.405 -10.328  -5.893  1.00 32.24           H   new
ATOM      0  HD2 ARG A   5      14.022  -9.181  -4.842  1.00 52.01           H   new
ATOM      0  HD3 ARG A   5      13.285 -10.695  -4.353  1.00 52.01           H   new
ATOM      0  HE  ARG A   5      13.746 -10.586  -7.229  1.00  5.22           H   new
ATOM      0 HH11 ARG A   5      15.229 -11.189  -4.081  1.00 55.02           H   new
ATOM      0 HH12 ARG A   5      16.490 -12.232  -4.746  1.00 55.02           H   new
ATOM      0 HH21 ARG A   5      15.371 -11.926  -8.075  1.00 72.34           H   new
ATOM      0 HH22 ARG A   5      16.570 -12.648  -6.997  1.00 72.34           H   new
ATOM     85  N   ARG A   6       9.276  -9.759  -7.068  1.00 23.33           N
ATOM     86  CA  ARG A   6       8.392 -10.801  -7.575  1.00 60.52           C
ATOM     87  C   ARG A   6       7.307 -11.138  -6.556  1.00 50.53           C
ATOM     88  O   ARG A   6       7.553 -11.144  -5.350  1.00 22.20           O
ATOM     89  CB  ARG A   6       9.194 -12.059  -7.916  1.00 32.02           C
ATOM     90  CG  ARG A   6       9.894 -12.678  -6.717  1.00 73.32           C
ATOM     91  CD  ARG A   6      10.254 -14.134  -6.973  1.00 14.52           C
ATOM     92  NE  ARG A   6      10.742 -14.797  -5.767  1.00 11.43           N
ATOM     93  CZ  ARG A   6      11.170 -16.054  -5.741  1.00 42.24           C
ATOM     94  NH1 ARG A   6      11.171 -16.780  -6.851  1.00 13.12           N
ATOM     95  NH2 ARG A   6      11.600 -16.587  -4.605  1.00 14.03           N
ATOM      0  H   ARG A   6       9.329  -9.709  -6.051  1.00 23.33           H   new
ATOM      0  HA  ARG A   6       7.913 -10.427  -8.480  1.00 60.52           H   new
ATOM      0  HB2 ARG A   6       8.525 -12.798  -8.357  1.00 32.02           H   new
ATOM      0  HB3 ARG A   6       9.938 -11.811  -8.673  1.00 32.02           H   new
ATOM      0  HG2 ARG A   6      10.798 -12.113  -6.490  1.00 73.32           H   new
ATOM      0  HG3 ARG A   6       9.248 -12.610  -5.842  1.00 73.32           H   new
ATOM      0  HD2 ARG A   6       9.378 -14.663  -7.349  1.00 14.52           H   new
ATOM      0  HD3 ARG A   6      11.017 -14.188  -7.750  1.00 14.52           H   new
ATOM      0  HE  ARG A   6      10.755 -14.265  -4.897  1.00 11.43           H   new
ATOM      0 HH11 ARG A   6      10.843 -16.373  -7.727  1.00 13.12           H   new
ATOM      0 HH12 ARG A   6      11.500 -17.745  -6.829  1.00 13.12           H   new
ATOM      0 HH21 ARG A   6      11.602 -16.031  -3.750  1.00 14.03           H   new
ATOM      0 HH22 ARG A   6      11.928 -17.553  -4.587  1.00 14.03           H   new
ATOM    109  N   LYS A   7       6.105 -11.416  -7.050  1.00  1.43           N
ATOM    110  CA  LYS A   7       4.981 -11.753  -6.184  1.00 65.40           C
ATOM    111  C   LYS A   7       5.272 -13.019  -5.384  1.00 61.33           C
ATOM    112  O   LYS A   7       6.065 -13.869  -5.789  1.00 25.52           O
ATOM    113  CB  LYS A   7       3.710 -11.943  -7.015  1.00  1.34           C
ATOM    114  CG  LYS A   7       3.595 -13.320  -7.645  1.00 51.21           C
ATOM    115  CD  LYS A   7       4.737 -13.588  -8.611  1.00 55.13           C
ATOM    116  CE  LYS A   7       4.429 -14.765  -9.524  1.00 42.13           C
ATOM    117  NZ  LYS A   7       5.643 -15.240 -10.245  1.00 12.40           N
ATOM      0  H   LYS A   7       5.884 -11.415  -8.046  1.00  1.43           H   new
ATOM      0  HA  LYS A   7       4.832 -10.929  -5.486  1.00 65.40           H   new
ATOM      0  HB2 LYS A   7       2.841 -11.770  -6.380  1.00  1.34           H   new
ATOM      0  HB3 LYS A   7       3.685 -11.189  -7.802  1.00  1.34           H   new
ATOM      0  HG2 LYS A   7       3.592 -14.080  -6.863  1.00 51.21           H   new
ATOM      0  HG3 LYS A   7       2.644 -13.402  -8.172  1.00 51.21           H   new
ATOM      0  HD2 LYS A   7       4.923 -12.698  -9.213  1.00 55.13           H   new
ATOM      0  HD3 LYS A   7       5.650 -13.790  -8.050  1.00 55.13           H   new
ATOM      0  HE2 LYS A   7       4.013 -15.583  -8.935  1.00 42.13           H   new
ATOM      0  HE3 LYS A   7       3.667 -14.474 -10.247  1.00 42.13           H   new
ATOM      0  HZ1 LYS A   7       5.392 -16.043 -10.857  1.00 12.40           H   new
ATOM      0  HZ2 LYS A   7       6.026 -14.468 -10.827  1.00 12.40           H   new
ATOM      0  HZ3 LYS A   7       6.361 -15.542  -9.555  1.00 12.40           H   new
ATOM    131  N   PRO A   8       4.615 -13.150  -4.222  1.00 72.45           N
ATOM    132  CA  PRO A   8       4.785 -14.311  -3.343  1.00 42.21           C
ATOM    133  C   PRO A   8       4.187 -15.581  -3.937  1.00 62.34           C
ATOM    134  O   PRO A   8       3.048 -15.584  -4.405  1.00 65.25           O
ATOM    135  CB  PRO A   8       4.031 -13.908  -2.074  1.00 13.33           C
ATOM    136  CG  PRO A   8       3.019 -12.916  -2.533  1.00 52.34           C
ATOM    137  CD  PRO A   8       3.654 -12.176  -3.678  1.00 62.11           C
ATOM      0  HA  PRO A   8       5.836 -14.544  -3.175  1.00 42.21           H   new
ATOM      0  HB2 PRO A   8       3.556 -14.770  -1.605  1.00 13.33           H   new
ATOM      0  HB3 PRO A   8       4.704 -13.474  -1.335  1.00 13.33           H   new
ATOM      0  HG2 PRO A   8       2.102 -13.412  -2.850  1.00 52.34           H   new
ATOM      0  HG3 PRO A   8       2.750 -12.232  -1.728  1.00 52.34           H   new
ATOM      0  HD2 PRO A   8       2.916 -11.880  -4.424  1.00 62.11           H   new
ATOM      0  HD3 PRO A   8       4.151 -11.266  -3.342  1.00 62.11           H   new
ATOM    145  N   LYS A   9       4.962 -16.661  -3.915  1.00 52.35           N
ATOM    146  CA  LYS A   9       4.509 -17.939  -4.450  1.00 72.24           C
ATOM    147  C   LYS A   9       5.294 -19.094  -3.837  1.00 75.40           C
ATOM    148  O   LYS A   9       6.426 -18.919  -3.388  1.00 24.10           O
ATOM    149  CB  LYS A   9       4.657 -17.960  -5.973  1.00 43.44           C
ATOM    150  CG  LYS A   9       3.354 -17.715  -6.715  1.00 24.31           C
ATOM    151  CD  LYS A   9       2.373 -18.857  -6.509  1.00 61.12           C
ATOM    152  CE  LYS A   9       2.869 -20.141  -7.156  1.00 71.40           C
ATOM    153  NZ  LYS A   9       1.744 -21.037  -7.545  1.00  1.42           N
ATOM      0  H   LYS A   9       5.907 -16.676  -3.532  1.00 52.35           H   new
ATOM      0  HA  LYS A   9       3.457 -18.060  -4.192  1.00 72.24           H   new
ATOM      0  HB2 LYS A   9       5.382 -17.202  -6.270  1.00 43.44           H   new
ATOM      0  HB3 LYS A   9       5.062 -18.925  -6.277  1.00 43.44           H   new
ATOM      0  HG2 LYS A   9       2.907 -16.783  -6.369  1.00 24.31           H   new
ATOM      0  HG3 LYS A   9       3.557 -17.596  -7.779  1.00 24.31           H   new
ATOM      0  HD2 LYS A   9       2.222 -19.021  -5.442  1.00 61.12           H   new
ATOM      0  HD3 LYS A   9       1.405 -18.587  -6.930  1.00 61.12           H   new
ATOM      0  HE2 LYS A   9       3.461 -19.898  -8.038  1.00 71.40           H   new
ATOM      0  HE3 LYS A   9       3.528 -20.665  -6.464  1.00 71.40           H   new
ATOM      0  HZ1 LYS A   9       2.124 -21.901  -7.982  1.00  1.42           H   new
ATOM      0  HZ2 LYS A   9       1.193 -21.290  -6.700  1.00  1.42           H   new
ATOM      0  HZ3 LYS A   9       1.129 -20.546  -8.225  1.00  1.42           H   new
ATOM    167  N   PHE A  10       4.685 -20.276  -3.823  1.00 13.45           N
ATOM    168  CA  PHE A  10       5.327 -21.460  -3.265  1.00  0.13           C
ATOM    169  C   PHE A  10       5.847 -21.185  -1.857  1.00 13.43           C
ATOM    170  O   PHE A  10       7.000 -21.477  -1.541  1.00 20.51           O
ATOM    171  CB  PHE A  10       6.478 -21.914  -4.165  1.00 75.14           C
ATOM    172  CG  PHE A  10       6.651 -23.405  -4.210  1.00 24.34           C
ATOM    173  CD1 PHE A  10       6.626 -24.154  -3.044  1.00 43.01           C
ATOM    174  CD2 PHE A  10       6.841 -24.058  -5.417  1.00 34.40           C
ATOM    175  CE1 PHE A  10       6.786 -25.526  -3.081  1.00 74.53           C
ATOM    176  CE2 PHE A  10       7.000 -25.431  -5.460  1.00 40.44           C
ATOM    177  CZ  PHE A  10       6.974 -26.165  -4.291  1.00 72.41           C
ATOM      0  H   PHE A  10       3.748 -20.439  -4.192  1.00 13.45           H   new
ATOM      0  HA  PHE A  10       4.582 -22.254  -3.210  1.00  0.13           H   new
ATOM      0  HB2 PHE A  10       6.305 -21.546  -5.176  1.00 75.14           H   new
ATOM      0  HB3 PHE A  10       7.404 -21.459  -3.814  1.00 75.14           H   new
ATOM      0  HD1 PHE A  10       6.480 -23.659  -2.095  1.00 43.01           H   new
ATOM      0  HD2 PHE A  10       6.865 -23.489  -6.334  1.00 34.40           H   new
ATOM      0  HE1 PHE A  10       6.764 -26.098  -2.165  1.00 74.53           H   new
ATOM      0  HE2 PHE A  10       7.144 -25.929  -6.407  1.00 40.44           H   new
ATOM      0  HZ  PHE A  10       7.100 -27.237  -4.323  1.00 72.41           H   new
ATOM    187  N   ARG A  11       4.987 -20.619  -1.015  1.00 63.23           N
ATOM    188  CA  ARG A  11       5.359 -20.302   0.358  1.00 21.23           C
ATOM    189  C   ARG A  11       4.626 -21.208   1.343  1.00 72.41           C
ATOM    190  O   ARG A  11       3.408 -21.116   1.500  1.00 22.22           O
ATOM    191  CB  ARG A  11       5.048 -18.837   0.668  1.00 12.22           C
ATOM    192  CG  ARG A  11       3.629 -18.427   0.310  1.00 13.31           C
ATOM    193  CD  ARG A  11       3.599 -17.548  -0.931  1.00 21.22           C
ATOM    194  NE  ARG A  11       2.248 -17.092  -1.246  1.00 42.31           N
ATOM    195  CZ  ARG A  11       1.353 -17.834  -1.888  1.00 52.20           C
ATOM    196  NH1 ARG A  11       1.663 -19.062  -2.280  1.00 43.44           N
ATOM    197  NH2 ARG A  11       0.144 -17.348  -2.138  1.00 74.23           N
ATOM      0  H   ARG A  11       4.029 -20.371  -1.260  1.00 63.23           H   new
ATOM      0  HA  ARG A  11       6.431 -20.469   0.465  1.00 21.23           H   new
ATOM      0  HB2 ARG A  11       5.212 -18.656   1.730  1.00 12.22           H   new
ATOM      0  HB3 ARG A  11       5.748 -18.203   0.125  1.00 12.22           H   new
ATOM      0  HG2 ARG A  11       3.024 -19.317   0.141  1.00 13.31           H   new
ATOM      0  HG3 ARG A  11       3.182 -17.891   1.147  1.00 13.31           H   new
ATOM      0  HD2 ARG A  11       4.247 -16.685  -0.779  1.00 21.22           H   new
ATOM      0  HD3 ARG A  11       4.001 -18.103  -1.778  1.00 21.22           H   new
ATOM      0  HE  ARG A  11       1.977 -16.152  -0.957  1.00 42.31           H   new
ATOM      0 HH11 ARG A  11       2.591 -19.439  -2.089  1.00 43.44           H   new
ATOM      0 HH12 ARG A  11       0.973 -19.629  -2.773  1.00 43.44           H   new
ATOM      0 HH21 ARG A  11      -0.098 -16.404  -1.837  1.00 74.23           H   new
ATOM      0 HH22 ARG A  11      -0.543 -17.918  -2.631  1.00 74.23           H   new
ATOM    211  N   LYS A  12       5.375 -22.084   2.004  1.00 62.45           N
ATOM    212  CA  LYS A  12       4.798 -23.008   2.974  1.00 43.54           C
ATOM    213  C   LYS A  12       3.948 -22.261   3.996  1.00  1.35           C
ATOM    214  O   LYS A  12       2.879 -22.728   4.390  1.00 61.14           O
ATOM    215  CB  LYS A  12       5.905 -23.788   3.687  1.00 41.42           C
ATOM    216  CG  LYS A  12       6.933 -22.900   4.367  1.00 65.44           C
ATOM    217  CD  LYS A  12       8.294 -23.573   4.432  1.00 22.33           C
ATOM    218  CE  LYS A  12       8.414 -24.471   5.655  1.00 52.34           C
ATOM    219  NZ  LYS A  12       8.729 -23.693   6.885  1.00 71.11           N
ATOM      0  H   LYS A  12       6.384 -22.174   1.886  1.00 62.45           H   new
ATOM      0  HA  LYS A  12       4.158 -23.708   2.437  1.00 43.54           H   new
ATOM      0  HB2 LYS A  12       5.454 -24.444   4.432  1.00 41.42           H   new
ATOM      0  HB3 LYS A  12       6.411 -24.428   2.964  1.00 41.42           H   new
ATOM      0  HG2 LYS A  12       7.017 -21.958   3.825  1.00 65.44           H   new
ATOM      0  HG3 LYS A  12       6.597 -22.659   5.375  1.00 65.44           H   new
ATOM      0  HD2 LYS A  12       8.453 -24.163   3.529  1.00 22.33           H   new
ATOM      0  HD3 LYS A  12       9.076 -22.814   4.459  1.00 22.33           H   new
ATOM      0  HE2 LYS A  12       7.481 -25.016   5.799  1.00 52.34           H   new
ATOM      0  HE3 LYS A  12       9.194 -25.214   5.485  1.00 52.34           H   new
ATOM      0  HZ1 LYS A  12       9.067 -24.339   7.627  1.00 71.11           H   new
ATOM      0  HZ2 LYS A  12       9.468 -22.992   6.673  1.00 71.11           H   new
ATOM      0  HZ3 LYS A  12       7.873 -23.204   7.215  1.00 71.11           H   new
ATOM    233  N   PHE A  13       4.429 -21.098   4.423  1.00 41.43           N
ATOM    234  CA  PHE A  13       3.713 -20.286   5.400  1.00 53.25           C
ATOM    235  C   PHE A  13       3.356 -18.922   4.816  1.00 11.32           C
ATOM    236  O   PHE A  13       4.142 -18.322   4.082  1.00 21.25           O
ATOM    237  CB  PHE A  13       4.557 -20.108   6.663  1.00 14.34           C
ATOM    238  CG  PHE A  13       4.472 -21.271   7.610  1.00 55.12           C
ATOM    239  CD1 PHE A  13       3.244 -21.717   8.071  1.00 32.24           C
ATOM    240  CD2 PHE A  13       5.620 -21.918   8.038  1.00 14.32           C
ATOM    241  CE1 PHE A  13       3.162 -22.788   8.942  1.00 10.41           C
ATOM    242  CE2 PHE A  13       5.544 -22.989   8.908  1.00 11.34           C
ATOM    243  CZ  PHE A  13       4.314 -23.423   9.362  1.00 72.41           C
ATOM      0  H   PHE A  13       5.312 -20.697   4.108  1.00 41.43           H   new
ATOM      0  HA  PHE A  13       2.789 -20.804   5.659  1.00 53.25           H   new
ATOM      0  HB2 PHE A  13       5.598 -19.958   6.377  1.00 14.34           H   new
ATOM      0  HB3 PHE A  13       4.236 -19.204   7.181  1.00 14.34           H   new
ATOM      0  HD1 PHE A  13       2.340 -21.223   7.746  1.00 32.24           H   new
ATOM      0  HD2 PHE A  13       6.585 -21.582   7.688  1.00 14.32           H   new
ATOM      0  HE1 PHE A  13       2.199 -23.127   9.293  1.00 10.41           H   new
ATOM      0  HE2 PHE A  13       6.446 -23.486   9.233  1.00 11.34           H   new
ATOM      0  HZ  PHE A  13       4.253 -24.258  10.045  1.00 72.41           H   new
ATOM    253  N   LYS A  14       2.164 -18.437   5.147  1.00 10.22           N
ATOM    254  CA  LYS A  14       1.701 -17.144   4.658  1.00 12.32           C
ATOM    255  C   LYS A  14       1.995 -16.042   5.671  1.00 10.21           C
ATOM    256  O   LYS A  14       1.793 -16.220   6.873  1.00  5.42           O
ATOM    257  CB  LYS A  14       0.200 -17.194   4.365  1.00 34.01           C
ATOM    258  CG  LYS A  14      -0.141 -17.876   3.051  1.00 11.22           C
ATOM    259  CD  LYS A  14       0.200 -16.995   1.861  1.00 12.21           C
ATOM    260  CE  LYS A  14      -0.873 -15.943   1.621  1.00 64.33           C
ATOM    261  NZ  LYS A  14      -2.097 -16.530   1.009  1.00 13.33           N
ATOM      0  H   LYS A  14       1.501 -18.921   5.752  1.00 10.22           H   new
ATOM      0  HA  LYS A  14       2.238 -16.919   3.736  1.00 12.32           H   new
ATOM      0  HB2 LYS A  14      -0.303 -17.718   5.178  1.00 34.01           H   new
ATOM      0  HB3 LYS A  14      -0.193 -16.177   4.350  1.00 34.01           H   new
ATOM      0  HG2 LYS A  14       0.404 -18.817   2.976  1.00 11.22           H   new
ATOM      0  HG3 LYS A  14      -1.203 -18.120   3.032  1.00 11.22           H   new
ATOM      0  HD2 LYS A  14       1.159 -16.506   2.032  1.00 12.21           H   new
ATOM      0  HD3 LYS A  14       0.312 -17.613   0.970  1.00 12.21           H   new
ATOM      0  HE2 LYS A  14      -1.132 -15.466   2.566  1.00 64.33           H   new
ATOM      0  HE3 LYS A  14      -0.479 -15.164   0.969  1.00 64.33           H   new
ATOM      0  HZ1 LYS A  14      -2.734 -15.766   0.706  1.00 13.33           H   new
ATOM      0  HZ2 LYS A  14      -1.831 -17.106   0.185  1.00 13.33           H   new
ATOM      0  HZ3 LYS A  14      -2.582 -17.128   1.708  1.00 13.33           H   new
ATOM    275  N   LEU A  15       2.471 -14.904   5.179  1.00 51.44           N
ATOM    276  CA  LEU A  15       2.791 -13.771   6.041  1.00 24.51           C
ATOM    277  C   LEU A  15       3.706 -14.200   7.185  1.00 55.45           C
ATOM    278  O   LEU A  15       3.596 -13.695   8.302  1.00 23.24           O
ATOM    279  CB  LEU A  15       1.509 -13.153   6.602  1.00 64.41           C
ATOM    280  CG  LEU A  15       0.803 -12.140   5.701  1.00  2.41           C
ATOM    281  CD1 LEU A  15       1.650 -10.886   5.542  1.00 71.44           C
ATOM    282  CD2 LEU A  15       0.497 -12.755   4.343  1.00 11.14           C
ATOM      0  H   LEU A  15       2.644 -14.741   4.187  1.00 51.44           H   new
ATOM      0  HA  LEU A  15       3.313 -13.025   5.442  1.00 24.51           H   new
ATOM      0  HB2 LEU A  15       0.810 -13.958   6.827  1.00 64.41           H   new
ATOM      0  HB3 LEU A  15       1.748 -12.665   7.547  1.00 64.41           H   new
ATOM      0  HG  LEU A  15      -0.140 -11.860   6.171  1.00  2.41           H   new
ATOM      0 HD11 LEU A  15       1.132 -10.176   4.897  1.00 71.44           H   new
ATOM      0 HD12 LEU A  15       1.817 -10.434   6.519  1.00 71.44           H   new
ATOM      0 HD13 LEU A  15       2.609 -11.149   5.095  1.00 71.44           H   new
ATOM      0 HD21 LEU A  15      -0.006 -12.019   3.715  1.00 11.14           H   new
ATOM      0 HD22 LEU A  15       1.427 -13.064   3.866  1.00 11.14           H   new
ATOM      0 HD23 LEU A  15      -0.150 -13.623   4.474  1.00 11.14           H   new
ATOM    294  N   TYR A  16       4.608 -15.131   6.897  1.00 73.05           N
ATOM    295  CA  TYR A  16       5.541 -15.627   7.901  1.00 62.33           C
ATOM    296  C   TYR A  16       6.339 -14.482   8.517  1.00 54.34           C
ATOM    297  O   TYR A  16       6.156 -13.318   8.156  1.00 31.35           O
ATOM    298  CB  TYR A  16       6.494 -16.651   7.280  1.00 12.32           C
ATOM    299  CG  TYR A  16       7.008 -16.250   5.916  1.00 73.12           C
ATOM    300  CD1 TYR A  16       7.707 -15.063   5.736  1.00 72.13           C
ATOM    301  CD2 TYR A  16       6.795 -17.060   4.807  1.00 53.34           C
ATOM    302  CE1 TYR A  16       8.177 -14.693   4.491  1.00 63.13           C
ATOM    303  CE2 TYR A  16       7.263 -16.698   3.558  1.00 31.31           C
ATOM    304  CZ  TYR A  16       7.953 -15.514   3.405  1.00  1.02           C
ATOM    305  OH  TYR A  16       8.421 -15.150   2.164  1.00 44.43           O
ATOM      0  H   TYR A  16       4.713 -15.557   5.976  1.00 73.05           H   new
ATOM      0  HA  TYR A  16       4.963 -16.109   8.690  1.00 62.33           H   new
ATOM      0  HB2 TYR A  16       7.341 -16.799   7.949  1.00 12.32           H   new
ATOM      0  HB3 TYR A  16       5.981 -17.609   7.199  1.00 12.32           H   new
ATOM      0  HD1 TYR A  16       7.886 -14.419   6.584  1.00 72.13           H   new
ATOM      0  HD2 TYR A  16       6.255 -17.988   4.923  1.00 53.34           H   new
ATOM      0  HE1 TYR A  16       8.717 -13.766   4.368  1.00 63.13           H   new
ATOM      0  HE2 TYR A  16       7.089 -17.339   2.706  1.00 31.31           H   new
ATOM      0  HH  TYR A  16       8.180 -15.838   1.509  1.00 44.43           H   new
ATOM    315  N   HIS A  17       7.225 -14.820   9.448  1.00 52.11           N
ATOM    316  CA  HIS A  17       8.052 -13.821  10.114  1.00  4.35           C
ATOM    317  C   HIS A  17       9.336 -13.567   9.330  1.00 71.14           C
ATOM    318  O   HIS A  17      10.426 -13.927   9.773  1.00 40.43           O
ATOM    319  CB  HIS A  17       8.391 -14.273  11.535  1.00 34.32           C
ATOM    320  CG  HIS A  17       7.410 -13.801  12.564  1.00 52.22           C
ATOM    321  ND1 HIS A  17       7.304 -12.482  12.953  1.00 23.34           N
ATOM    322  CD2 HIS A  17       6.486 -14.479  13.283  1.00 34.33           C
ATOM    323  CE1 HIS A  17       6.359 -12.370  13.869  1.00 31.53           C
ATOM    324  NE2 HIS A  17       5.846 -13.568  14.087  1.00 20.02           N
ATOM      0  H   HIS A  17       7.389 -15.778   9.758  1.00 52.11           H   new
ATOM      0  HA  HIS A  17       7.486 -12.891  10.161  1.00  4.35           H   new
ATOM      0  HB2 HIS A  17       8.436 -15.362  11.560  1.00 34.32           H   new
ATOM      0  HB3 HIS A  17       9.384 -13.907  11.797  1.00 34.32           H   new
ATOM      0  HD2 HIS A  17       6.288 -15.540  13.234  1.00 34.33           H   new
ATOM      0  HE1 HIS A  17       6.057 -11.455  14.357  1.00 31.53           H   new
ATOM      0  HE2 HIS A  17       5.097 -13.781  14.745  1.00 20.02           H   new
ATOM    332  N   GLU A  18       9.197 -12.947   8.162  1.00 42.30           N
ATOM    333  CA  GLU A  18      10.346 -12.647   7.316  1.00 63.34           C
ATOM    334  C   GLU A  18      10.085 -11.411   6.461  1.00 53.43           C
ATOM    335  O   GLU A  18       9.506 -11.502   5.379  1.00 40.51           O
ATOM    336  CB  GLU A  18      10.671 -13.842   6.417  1.00 22.52           C
ATOM    337  CG  GLU A  18      12.133 -14.253   6.456  1.00 25.53           C
ATOM    338  CD  GLU A  18      12.552 -14.793   7.810  1.00 11.13           C
ATOM    339  OE1 GLU A  18      12.023 -15.849   8.217  1.00 62.15           O
ATOM    340  OE2 GLU A  18      13.407 -14.160   8.463  1.00  0.45           O
ATOM      0  H   GLU A  18       8.301 -12.643   7.781  1.00 42.30           H   new
ATOM      0  HA  GLU A  18      11.199 -12.446   7.964  1.00 63.34           H   new
ATOM      0  HB2 GLU A  18      10.056 -14.690   6.718  1.00 22.52           H   new
ATOM      0  HB3 GLU A  18      10.398 -13.598   5.390  1.00 22.52           H   new
ATOM      0  HG2 GLU A  18      12.313 -15.012   5.695  1.00 25.53           H   new
ATOM      0  HG3 GLU A  18      12.755 -13.394   6.203  1.00 25.53           H   new
ATOM    347  N   GLY A  19      10.516 -10.254   6.956  1.00 74.14           N
ATOM    348  CA  GLY A  19      10.319  -9.015   6.226  1.00 74.54           C
ATOM    349  C   GLY A  19       8.858  -8.622   6.134  1.00 35.42           C
ATOM    350  O   GLY A  19       8.031  -9.386   5.634  1.00  1.12           O
ATOM      0  H   GLY A  19      10.998 -10.153   7.849  1.00 74.14           H   new
ATOM      0  HA2 GLY A  19      10.877  -8.216   6.715  1.00 74.54           H   new
ATOM      0  HA3 GLY A  19      10.728  -9.120   5.221  1.00 74.54           H   new
ATOM    354  N   LYS A  20       8.536  -7.428   6.620  1.00 64.02           N
ATOM    355  CA  LYS A  20       7.165  -6.934   6.592  1.00 51.32           C
ATOM    356  C   LYS A  20       6.822  -6.358   5.221  1.00  0.05           C
ATOM    357  O   LYS A  20       7.037  -5.174   4.963  1.00  2.42           O
ATOM    358  CB  LYS A  20       6.964  -5.866   7.670  1.00 75.50           C
ATOM    359  CG  LYS A  20       6.498  -6.428   9.002  1.00 20.22           C
ATOM    360  CD  LYS A  20       6.163  -5.321   9.988  1.00 61.13           C
ATOM    361  CE  LYS A  20       5.903  -5.875  11.380  1.00 13.43           C
ATOM    362  NZ  LYS A  20       7.150  -6.379  12.019  1.00 73.54           N
ATOM      0  H   LYS A  20       9.207  -6.784   7.039  1.00 64.02           H   new
ATOM      0  HA  LYS A  20       6.499  -7.773   6.791  1.00 51.32           H   new
ATOM      0  HB2 LYS A  20       7.902  -5.331   7.819  1.00 75.50           H   new
ATOM      0  HB3 LYS A  20       6.234  -5.138   7.317  1.00 75.50           H   new
ATOM      0  HG2 LYS A  20       5.620  -7.055   8.846  1.00 20.22           H   new
ATOM      0  HG3 LYS A  20       7.276  -7.066   9.421  1.00 20.22           H   new
ATOM      0  HD2 LYS A  20       6.985  -4.606  10.027  1.00 61.13           H   new
ATOM      0  HD3 LYS A  20       5.284  -4.777   9.642  1.00 61.13           H   new
ATOM      0  HE2 LYS A  20       5.464  -5.097  12.004  1.00 13.43           H   new
ATOM      0  HE3 LYS A  20       5.174  -6.683  11.319  1.00 13.43           H   new
ATOM      0  HZ1 LYS A  20       6.980  -6.542  13.032  1.00 73.54           H   new
ATOM      0  HZ2 LYS A  20       7.435  -7.272  11.568  1.00 73.54           H   new
ATOM      0  HZ3 LYS A  20       7.908  -5.676  11.904  1.00 73.54           H   new
ATOM    376  N   PHE A  21       6.286  -7.203   4.347  1.00 42.01           N
ATOM    377  CA  PHE A  21       5.913  -6.778   3.003  1.00 51.40           C
ATOM    378  C   PHE A  21       5.268  -7.924   2.229  1.00  3.11           C
ATOM    379  O   PHE A  21       5.943  -8.871   1.826  1.00 62.13           O
ATOM    380  CB  PHE A  21       7.141  -6.264   2.248  1.00 72.50           C
ATOM    381  CG  PHE A  21       6.867  -5.044   1.416  1.00 35.23           C
ATOM    382  CD1 PHE A  21       5.871  -5.056   0.452  1.00 23.13           C
ATOM    383  CD2 PHE A  21       7.603  -3.885   1.599  1.00 64.22           C
ATOM    384  CE1 PHE A  21       5.617  -3.935  -0.315  1.00  4.22           C
ATOM    385  CE2 PHE A  21       7.354  -2.761   0.835  1.00 52.41           C
ATOM    386  CZ  PHE A  21       6.359  -2.785  -0.122  1.00 73.34           C
ATOM      0  H   PHE A  21       6.100  -8.186   4.545  1.00 42.01           H   new
ATOM      0  HA  PHE A  21       5.187  -5.970   3.093  1.00 51.40           H   new
ATOM      0  HB2 PHE A  21       7.929  -6.035   2.966  1.00 72.50           H   new
ATOM      0  HB3 PHE A  21       7.519  -7.057   1.602  1.00 72.50           H   new
ATOM      0  HD1 PHE A  21       5.287  -5.951   0.299  1.00 23.13           H   new
ATOM      0  HD2 PHE A  21       8.381  -3.860   2.348  1.00 64.22           H   new
ATOM      0  HE1 PHE A  21       4.840  -3.957  -1.064  1.00  4.22           H   new
ATOM      0  HE2 PHE A  21       7.937  -1.865   0.986  1.00 52.41           H   new
ATOM      0  HZ  PHE A  21       6.161  -1.907  -0.719  1.00 73.34           H   new
ATOM    396  N   TRP A  22       3.959  -7.830   2.027  1.00 62.33           N
ATOM    397  CA  TRP A  22       3.223  -8.859   1.302  1.00 75.52           C
ATOM    398  C   TRP A  22       2.189  -8.235   0.371  1.00 72.31           C
ATOM    399  O   TRP A  22       1.000  -8.188   0.689  1.00 22.33           O
ATOM    400  CB  TRP A  22       2.535  -9.810   2.283  1.00 22.41           C
ATOM    401  CG  TRP A  22       3.425 -10.920   2.757  1.00 54.13           C
ATOM    402  CD1 TRP A  22       4.404 -10.837   3.705  1.00 33.22           C
ATOM    403  CD2 TRP A  22       3.417 -12.278   2.302  1.00  1.53           C
ATOM    404  NE1 TRP A  22       5.005 -12.062   3.868  1.00 44.23           N
ATOM    405  CE2 TRP A  22       4.418 -12.962   3.019  1.00 33.43           C
ATOM    406  CE3 TRP A  22       2.661 -12.982   1.361  1.00  4.23           C
ATOM    407  CZ2 TRP A  22       4.680 -14.315   2.822  1.00 25.41           C
ATOM    408  CZ3 TRP A  22       2.924 -14.325   1.166  1.00 14.54           C
ATOM    409  CH2 TRP A  22       3.925 -14.980   1.894  1.00 25.24           C
ATOM      0  H   TRP A  22       3.386  -7.053   2.355  1.00 62.33           H   new
ATOM      0  HA  TRP A  22       3.935  -9.423   0.699  1.00 75.52           H   new
ATOM      0  HB2 TRP A  22       2.185  -9.241   3.145  1.00 22.41           H   new
ATOM      0  HB3 TRP A  22       1.654 -10.239   1.805  1.00 22.41           H   new
ATOM      0  HD1 TRP A  22       4.667  -9.941   4.247  1.00 33.22           H   new
ATOM      0  HE1 TRP A  22       5.765 -12.268   4.516  1.00 44.23           H   new
ATOM      0  HE3 TRP A  22       1.885 -12.486   0.796  1.00  4.23           H   new
ATOM      0  HZ2 TRP A  22       5.452 -14.822   3.382  1.00 25.41           H   new
ATOM      0  HZ3 TRP A  22       2.348 -14.879   0.440  1.00 14.54           H   new
ATOM      0  HH2 TRP A  22       4.105 -16.031   1.720  1.00 25.24           H   new
ATOM    420  N   CYS A  23       2.648  -7.757  -0.781  1.00 21.14           N
ATOM    421  CA  CYS A  23       1.763  -7.135  -1.758  1.00 62.33           C
ATOM    422  C   CYS A  23       2.541  -6.701  -2.997  1.00 61.33           C
ATOM    423  O   CYS A  23       3.189  -5.654  -3.019  1.00 73.42           O
ATOM    424  CB  CYS A  23       1.053  -5.929  -1.140  1.00 70.51           C
ATOM    425  SG  CYS A  23       0.022  -4.992  -2.314  1.00  2.35           S
ATOM      0  H   CYS A  23       3.628  -7.789  -1.061  1.00 21.14           H   new
ATOM      0  HA  CYS A  23       1.018  -7.872  -2.057  1.00 62.33           H   new
ATOM      0  HB2 CYS A  23       0.427  -6.272  -0.316  1.00 70.51           H   new
ATOM      0  HB3 CYS A  23       1.800  -5.259  -0.715  1.00 70.51           H   new
ATOM    430  N   PRO A  24       2.477  -7.524  -4.055  1.00 33.14           N
ATOM    431  CA  PRO A  24       3.168  -7.246  -5.317  1.00 72.31           C
ATOM    432  C   PRO A  24       2.551  -6.072  -6.070  1.00 30.25           C
ATOM    433  O   PRO A  24       1.330  -5.976  -6.196  1.00  3.24           O
ATOM    434  CB  PRO A  24       2.991  -8.543  -6.111  1.00 55.23           C
ATOM    435  CG  PRO A  24       1.754  -9.161  -5.556  1.00 24.44           C
ATOM    436  CD  PRO A  24       1.724  -8.789  -4.099  1.00 53.21           C
ATOM      0  HA  PRO A  24       4.209  -6.966  -5.158  1.00 72.31           H   new
ATOM      0  HB2 PRO A  24       2.890  -8.343  -7.178  1.00 55.23           H   new
ATOM      0  HB3 PRO A  24       3.851  -9.202  -5.990  1.00 55.23           H   new
ATOM      0  HG2 PRO A  24       0.868  -8.791  -6.072  1.00 24.44           H   new
ATOM      0  HG3 PRO A  24       1.768 -10.244  -5.682  1.00 24.44           H   new
ATOM      0  HD2 PRO A  24       0.704  -8.662  -3.737  1.00 53.21           H   new
ATOM      0  HD3 PRO A  24       2.189  -9.555  -3.479  1.00 53.21           H   new