USER  MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8
USER  MOD reduce.3.24.130724 removed 265 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   1 LYS N   :NH3+   -113:sc=  -0.788   (180deg=-2.44!)
USER  MOD Single : A   1 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   2 TYR OH  :   rot   68:sc=    1.24
USER  MOD Single : A   5 THR OG1 :   rot  180:sc=   -1.44
USER  MOD Single : A   6 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   8 HIS     :     no HD1:sc=       0  X(o=0,f=-0.033)
USER  MOD Single : A   9 ASN     :      amide:sc=  -0.893  K(o=-0.89,f=-1.7!)
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  15 THR OG1 :   rot   49:sc=   0.607
USER  MOD Single : A  16 HIS     :FLIP no HD1:sc=  -0.464  F(o=-1.7,f=-0.46)
USER  MOD Single : A  22 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot   35:sc=   0.575
USER  MOD -----------------------------------------------------------------
ATOM      1  N   LYS A   1      -3.339   2.272   2.399  1.00 70.01           N
ATOM      2  CA  LYS A   1      -3.233   1.119   3.285  1.00 31.10           C
ATOM      3  C   LYS A   1      -2.988  -0.159   2.489  1.00 54.35           C
ATOM      4  O   LYS A   1      -2.623  -0.109   1.314  1.00 50.12           O
ATOM      5  CB  LYS A   1      -4.506   0.975   4.122  1.00 21.34           C
ATOM      6  CG  LYS A   1      -4.240   0.778   5.605  1.00 64.53           C
ATOM      7  CD  LYS A   1      -5.263   1.509   6.457  1.00  4.42           C
ATOM      8  CE  LYS A   1      -4.791   2.911   6.813  1.00 21.15           C
ATOM      9  NZ  LYS A   1      -5.606   3.959   6.138  1.00 25.32           N
ATOM      0  H1  LYS A   1      -2.529   2.905   2.555  1.00 70.01           H   new
ATOM      0  H2  LYS A   1      -3.342   1.951   1.410  1.00 70.01           H   new
ATOM      0  H3  LYS A   1      -4.222   2.784   2.599  1.00 70.01           H   new
ATOM      0  HA  LYS A   1      -2.384   1.280   3.950  1.00 31.10           H   new
ATOM      0  HB2 LYS A   1      -5.122   1.864   3.987  1.00 21.34           H   new
ATOM      0  HB3 LYS A   1      -5.082   0.128   3.749  1.00 21.34           H   new
ATOM      0  HG2 LYS A   1      -4.262  -0.286   5.841  1.00 64.53           H   new
ATOM      0  HG3 LYS A   1      -3.240   1.138   5.847  1.00 64.53           H   new
ATOM      0  HD2 LYS A   1      -6.210   1.568   5.920  1.00  4.42           H   new
ATOM      0  HD3 LYS A   1      -5.449   0.943   7.370  1.00  4.42           H   new
ATOM      0  HE2 LYS A   1      -4.845   3.049   7.893  1.00 21.15           H   new
ATOM      0  HE3 LYS A   1      -3.745   3.025   6.529  1.00 21.15           H   new
ATOM      0  HZ1 LYS A   1      -5.253   4.900   6.406  1.00 25.32           H   new
ATOM      0  HZ2 LYS A   1      -5.535   3.844   5.107  1.00 25.32           H   new
ATOM      0  HZ3 LYS A   1      -6.600   3.867   6.429  1.00 25.32           H   new
ATOM     23  N   TYR A   2      -3.193  -1.301   3.134  1.00 34.23           N
ATOM     24  CA  TYR A   2      -2.994  -2.592   2.486  1.00 11.00           C
ATOM     25  C   TYR A   2      -4.331  -3.253   2.165  1.00 52.53           C
ATOM     26  O   TYR A   2      -4.716  -3.365   1.001  1.00 20.04           O
ATOM     27  CB  TYR A   2      -2.160  -3.512   3.379  1.00  1.45           C
ATOM     28  CG  TYR A   2      -1.512  -4.656   2.633  1.00 35.34           C
ATOM     29  CD1 TYR A   2      -2.094  -5.918   2.617  1.00 32.14           C
ATOM     30  CD2 TYR A   2      -0.319  -4.477   1.945  1.00  1.45           C
ATOM     31  CE1 TYR A   2      -1.506  -6.967   1.938  1.00 70.33           C
ATOM     32  CE2 TYR A   2       0.276  -5.520   1.262  1.00 54.51           C
ATOM     33  CZ  TYR A   2      -0.322  -6.763   1.261  1.00  4.22           C
ATOM     34  OH  TYR A   2       0.268  -7.805   0.583  1.00 42.43           O
ATOM      0  H   TYR A   2      -3.497  -1.360   4.106  1.00 34.23           H   new
ATOM      0  HA  TYR A   2      -2.460  -2.421   1.551  1.00 11.00           H   new
ATOM      0  HB2 TYR A   2      -1.384  -2.923   3.869  1.00  1.45           H   new
ATOM      0  HB3 TYR A   2      -2.797  -3.917   4.165  1.00  1.45           H   new
ATOM      0  HD1 TYR A   2      -3.022  -6.081   3.145  1.00 32.14           H   new
ATOM      0  HD2 TYR A   2       0.152  -3.505   1.944  1.00  1.45           H   new
ATOM      0  HE1 TYR A   2      -1.971  -7.942   1.937  1.00 70.33           H   new
ATOM      0  HE2 TYR A   2       1.204  -5.363   0.732  1.00 54.51           H   new
ATOM      0  HH  TYR A   2      -0.291  -8.056  -0.182  1.00 42.43           H   new
ATOM     44  N   GLU A   3      -5.035  -3.687   3.206  1.00 44.12           N
ATOM     45  CA  GLU A   3      -6.329  -4.337   3.035  1.00 42.41           C
ATOM     46  C   GLU A   3      -7.271  -3.464   2.210  1.00 22.11           C
ATOM     47  O   GLU A   3      -8.244  -3.954   1.637  1.00 53.34           O
ATOM     48  CB  GLU A   3      -6.957  -4.638   4.397  1.00  0.02           C
ATOM     49  CG  GLU A   3      -6.231  -5.722   5.176  1.00 70.34           C
ATOM     50  CD  GLU A   3      -6.753  -5.873   6.591  1.00  1.14           C
ATOM     51  OE1 GLU A   3      -7.989  -5.871   6.771  1.00 60.34           O
ATOM     52  OE2 GLU A   3      -5.926  -5.992   7.520  1.00 53.14           O
ATOM      0  H   GLU A   3      -4.731  -3.600   4.176  1.00 44.12           H   new
ATOM      0  HA  GLU A   3      -6.169  -5.274   2.502  1.00 42.41           H   new
ATOM      0  HB2 GLU A   3      -6.972  -3.724   4.991  1.00  0.02           H   new
ATOM      0  HB3 GLU A   3      -7.994  -4.940   4.251  1.00  0.02           H   new
ATOM      0  HG2 GLU A   3      -6.334  -6.672   4.652  1.00 70.34           H   new
ATOM      0  HG3 GLU A   3      -5.167  -5.490   5.208  1.00 70.34           H   new
ATOM     59  N   ILE A   4      -6.974  -2.170   2.156  1.00 21.22           N
ATOM     60  CA  ILE A   4      -7.793  -1.230   1.402  1.00 52.22           C
ATOM     61  C   ILE A   4      -7.783  -1.563  -0.086  1.00 53.32           C
ATOM     62  O   ILE A   4      -8.732  -1.256  -0.809  1.00 70.53           O
ATOM     63  CB  ILE A   4      -7.309   0.220   1.595  1.00 34.54           C
ATOM     64  CG1 ILE A   4      -5.847   0.353   1.167  1.00  4.51           C
ATOM     65  CG2 ILE A   4      -7.484   0.647   3.045  1.00 41.00           C
ATOM     66  CD1 ILE A   4      -5.673   0.665  -0.303  1.00 15.41           C
ATOM      0  H   ILE A   4      -6.172  -1.749   2.625  1.00 21.22           H   new
ATOM      0  HA  ILE A   4      -8.809  -1.319   1.785  1.00 52.22           H   new
ATOM      0  HB  ILE A   4      -7.912   0.877   0.968  1.00 34.54           H   new
ATOM      0 HG12 ILE A   4      -5.375   1.140   1.755  1.00  4.51           H   new
ATOM      0 HG13 ILE A   4      -5.324  -0.575   1.397  1.00  4.51           H   new
ATOM      0 HG21 ILE A   4      -7.138   1.673   3.166  1.00 41.00           H   new
ATOM      0 HG22 ILE A   4      -8.537   0.585   3.318  1.00 41.00           H   new
ATOM      0 HG23 ILE A   4      -6.902  -0.011   3.691  1.00 41.00           H   new
ATOM      0 HD11 ILE A   4      -4.611   0.745  -0.535  1.00 15.41           H   new
ATOM      0 HD12 ILE A   4      -6.115  -0.133  -0.899  1.00 15.41           H   new
ATOM      0 HD13 ILE A   4      -6.167   1.608  -0.536  1.00 15.41           H   new
ATOM     78  N   THR A   5      -6.704  -2.194  -0.539  1.00 33.12           N
ATOM     79  CA  THR A   5      -6.570  -2.570  -1.940  1.00 53.15           C
ATOM     80  C   THR A   5      -6.617  -4.084  -2.111  1.00 34.14           C
ATOM     81  O   THR A   5      -5.745  -4.802  -1.621  1.00 30.32           O
ATOM     82  CB  THR A   5      -5.256  -2.038  -2.542  1.00  2.24           C
ATOM     83  OG1 THR A   5      -5.014  -2.652  -3.812  1.00 71.23           O
ATOM     84  CG2 THR A   5      -4.085  -2.311  -1.610  1.00  1.14           C
ATOM      0  H   THR A   5      -5.910  -2.455   0.045  1.00 33.12           H   new
ATOM      0  HA  THR A   5      -7.411  -2.121  -2.468  1.00 53.15           H   new
ATOM      0  HB  THR A   5      -5.353  -0.960  -2.673  1.00  2.24           H   new
ATOM      0  HG1 THR A   5      -4.177  -2.307  -4.188  1.00 71.23           H   new
ATOM      0 HG21 THR A   5      -3.168  -1.927  -2.056  1.00  1.14           H   new
ATOM      0 HG22 THR A   5      -4.258  -1.817  -0.654  1.00  1.14           H   new
ATOM      0 HG23 THR A   5      -3.989  -3.385  -1.452  1.00  1.14           H   new
ATOM     92  N   THR A   6      -7.641  -4.565  -2.809  1.00 34.11           N
ATOM     93  CA  THR A   6      -7.802  -5.994  -3.043  1.00 73.54           C
ATOM     94  C   THR A   6      -6.628  -6.557  -3.837  1.00 35.13           C
ATOM     95  O   THR A   6      -6.351  -7.756  -3.787  1.00 12.24           O
ATOM     96  CB  THR A   6      -9.110  -6.296  -3.800  1.00  1.12           C
ATOM     97  OG1 THR A   6      -8.975  -5.929  -5.177  1.00 42.13           O
ATOM     98  CG2 THR A   6     -10.279  -5.543  -3.182  1.00 25.55           C
ATOM      0  H   THR A   6      -8.371  -3.985  -3.222  1.00 34.11           H   new
ATOM      0  HA  THR A   6      -7.838  -6.472  -2.064  1.00 73.54           H   new
ATOM      0  HB  THR A   6      -9.307  -7.365  -3.727  1.00  1.12           H   new
ATOM      0  HG1 THR A   6      -9.810  -6.126  -5.651  1.00 42.13           H   new
ATOM      0 HG21 THR A   6     -11.191  -5.772  -3.733  1.00 25.55           H   new
ATOM      0 HG22 THR A   6     -10.398  -5.846  -2.142  1.00 25.55           H   new
ATOM      0 HG23 THR A   6     -10.087  -4.471  -3.228  1.00 25.55           H   new
ATOM    106  N   ILE A   7      -5.942  -5.685  -4.567  1.00 61.12           N
ATOM    107  CA  ILE A   7      -4.796  -6.096  -5.370  1.00 15.15           C
ATOM    108  C   ILE A   7      -3.709  -6.716  -4.498  1.00 51.45           C
ATOM    109  O   ILE A   7      -3.532  -7.934  -4.481  1.00 63.21           O
ATOM    110  CB  ILE A   7      -4.200  -4.909  -6.149  1.00  0.35           C
ATOM    111  CG1 ILE A   7      -5.264  -4.272  -7.045  1.00 32.22           C
ATOM    112  CG2 ILE A   7      -3.007  -5.364  -6.975  1.00 44.32           C
ATOM    113  CD1 ILE A   7      -5.328  -2.765  -6.930  1.00 72.32           C
ATOM      0  H   ILE A   7      -6.159  -4.690  -4.619  1.00 61.12           H   new
ATOM      0  HA  ILE A   7      -5.158  -6.840  -6.080  1.00 15.15           H   new
ATOM      0  HB  ILE A   7      -3.858  -4.160  -5.435  1.00  0.35           H   new
ATOM      0 HG12 ILE A   7      -5.062  -4.541  -8.082  1.00 32.22           H   new
ATOM      0 HG13 ILE A   7      -6.238  -4.689  -6.791  1.00 32.22           H   new
ATOM      0 HG21 ILE A   7      -2.596  -4.514  -7.520  1.00 44.32           H   new
ATOM      0 HG22 ILE A   7      -2.243  -5.775  -6.315  1.00 44.32           H   new
ATOM      0 HG23 ILE A   7      -3.325  -6.129  -7.683  1.00 44.32           H   new
ATOM      0 HD11 ILE A   7      -6.104  -2.382  -7.593  1.00 72.32           H   new
ATOM      0 HD12 ILE A   7      -5.560  -2.488  -5.902  1.00 72.32           H   new
ATOM      0 HD13 ILE A   7      -4.366  -2.337  -7.213  1.00 72.32           H   new
ATOM    125  N   HIS A   8      -2.984  -5.869  -3.775  1.00  0.24           N
ATOM    126  CA  HIS A   8      -1.915  -6.333  -2.898  1.00 64.51           C
ATOM    127  C   HIS A   8      -2.477  -7.166  -1.750  1.00 24.31           C
ATOM    128  O   HIS A   8      -1.739  -7.874  -1.065  1.00 13.41           O
ATOM    129  CB  HIS A   8      -1.128  -5.145  -2.344  1.00 62.23           C
ATOM    130  CG  HIS A   8       0.083  -4.798  -3.155  1.00 32.40           C
ATOM    131  ND1 HIS A   8       0.052  -4.641  -4.525  1.00 32.45           N
ATOM    132  CD2 HIS A   8       1.365  -4.576  -2.781  1.00 73.32           C
ATOM    133  CE1 HIS A   8       1.263  -4.339  -4.958  1.00 75.54           C
ATOM    134  NE2 HIS A   8       2.078  -4.293  -3.920  1.00 73.32           N
ATOM      0  H   HIS A   8      -3.117  -4.858  -3.779  1.00  0.24           H   new
ATOM      0  HA  HIS A   8      -1.245  -6.961  -3.485  1.00 64.51           H   new
ATOM      0  HB2 HIS A   8      -1.784  -4.276  -2.296  1.00 62.23           H   new
ATOM      0  HB3 HIS A   8      -0.819  -5.369  -1.323  1.00 62.23           H   new
ATOM      0  HD2 HIS A   8       1.754  -4.614  -1.774  1.00 73.32           H   new
ATOM      0  HE1 HIS A   8       1.540  -4.160  -5.987  1.00 75.54           H   new
ATOM      0  HE2 HIS A   8       3.075  -4.082  -3.958  1.00 73.32           H   new
ATOM    142  N   ASN A   9      -3.787  -7.076  -1.546  1.00  2.14           N
ATOM    143  CA  ASN A   9      -4.447  -7.820  -0.479  1.00 73.14           C
ATOM    144  C   ASN A   9      -4.201  -9.318  -0.629  1.00 34.42           C
ATOM    145  O   ASN A   9      -3.481  -9.923   0.166  1.00  5.23           O
ATOM    146  CB  ASN A   9      -5.951  -7.535  -0.486  1.00 24.41           C
ATOM    147  CG  ASN A   9      -6.721  -8.478   0.418  1.00 14.45           C
ATOM    148  OD1 ASN A   9      -7.767  -9.005   0.038  1.00 65.13           O
ATOM    149  ND2 ASN A   9      -6.207  -8.693   1.624  1.00 74.01           N
ATOM      0  H   ASN A   9      -4.412  -6.496  -2.105  1.00  2.14           H   new
ATOM      0  HA  ASN A   9      -4.027  -7.494   0.472  1.00 73.14           H   new
ATOM      0  HB2 ASN A   9      -6.125  -6.507  -0.167  1.00 24.41           H   new
ATOM      0  HB3 ASN A   9      -6.330  -7.622  -1.504  1.00 24.41           H   new
ATOM      0 HD21 ASN A   9      -6.682  -9.316   2.277  1.00 74.01           H   new
ATOM      0 HD22 ASN A   9      -5.337  -8.235   1.897  1.00 74.01           H   new
ATOM    156  N   LEU A  10      -4.805  -9.912  -1.653  1.00  4.12           N
ATOM    157  CA  LEU A  10      -4.651 -11.340  -1.908  1.00 31.00           C
ATOM    158  C   LEU A  10      -4.003 -11.584  -3.267  1.00  3.21           C
ATOM    159  O   LEU A  10      -4.524 -12.337  -4.089  1.00 73.13           O
ATOM    160  CB  LEU A  10      -6.011 -12.038  -1.846  1.00 62.14           C
ATOM    161  CG  LEU A  10      -7.201 -11.238  -2.378  1.00 22.15           C
ATOM    162  CD1 LEU A  10      -6.953 -10.802  -3.813  1.00 44.11           C
ATOM    163  CD2 LEU A  10      -8.480 -12.057  -2.280  1.00 41.25           C
ATOM      0  H   LEU A  10      -5.406  -9.427  -2.320  1.00  4.12           H   new
ATOM      0  HA  LEU A  10      -4.001 -11.754  -1.137  1.00 31.00           H   new
ATOM      0  HB2 LEU A  10      -5.945 -12.970  -2.408  1.00 62.14           H   new
ATOM      0  HB3 LEU A  10      -6.213 -12.305  -0.809  1.00 62.14           H   new
ATOM      0  HG  LEU A  10      -7.317 -10.345  -1.765  1.00 22.15           H   new
ATOM      0 HD11 LEU A  10      -7.811 -10.234  -4.174  1.00 44.11           H   new
ATOM      0 HD12 LEU A  10      -6.061 -10.177  -3.854  1.00 44.11           H   new
ATOM      0 HD13 LEU A  10      -6.810 -11.681  -4.441  1.00 44.11           H   new
ATOM      0 HD21 LEU A  10      -9.317 -11.472  -2.663  1.00 41.25           H   new
ATOM      0 HD22 LEU A  10      -8.375 -12.968  -2.869  1.00 41.25           H   new
ATOM      0 HD23 LEU A  10      -8.666 -12.318  -1.238  1.00 41.25           H   new
ATOM    175  N   PHE A  11      -2.861 -10.943  -3.495  1.00 70.14           N
ATOM    176  CA  PHE A  11      -2.140 -11.091  -4.754  1.00 70.23           C
ATOM    177  C   PHE A  11      -1.379 -12.413  -4.793  1.00 21.11           C
ATOM    178  O   PHE A  11      -0.155 -12.433  -4.926  1.00 72.42           O
ATOM    179  CB  PHE A  11      -1.169  -9.925  -4.951  1.00 13.13           C
ATOM    180  CG  PHE A  11      -0.993  -9.527  -6.388  1.00 72.13           C
ATOM    181  CD1 PHE A  11      -1.481  -8.315  -6.850  1.00 60.43           C
ATOM    182  CD2 PHE A  11      -0.340 -10.365  -7.278  1.00 33.23           C
ATOM    183  CE1 PHE A  11      -1.320  -7.946  -8.173  1.00 33.14           C
ATOM    184  CE2 PHE A  11      -0.176 -10.001  -8.601  1.00 33.11           C
ATOM    185  CZ  PHE A  11      -0.668  -8.791  -9.049  1.00 40.32           C
ATOM      0  H   PHE A  11      -2.415 -10.317  -2.825  1.00 70.14           H   new
ATOM      0  HA  PHE A  11      -2.870 -11.088  -5.564  1.00 70.23           H   new
ATOM      0  HB2 PHE A  11      -1.527  -9.065  -4.386  1.00 13.13           H   new
ATOM      0  HB3 PHE A  11      -0.198 -10.197  -4.536  1.00 13.13           H   new
ATOM      0  HD1 PHE A  11      -1.993  -7.651  -6.169  1.00 60.43           H   new
ATOM      0  HD2 PHE A  11       0.045 -11.313  -6.934  1.00 33.23           H   new
ATOM      0  HE1 PHE A  11      -1.704  -6.998  -8.521  1.00 33.14           H   new
ATOM      0  HE2 PHE A  11       0.337 -10.662  -9.284  1.00 33.11           H   new
ATOM      0  HZ  PHE A  11      -0.543  -8.506 -10.083  1.00 40.32           H   new
ATOM    195  N   ARG A  12      -2.113 -13.515  -4.675  1.00  5.03           N
ATOM    196  CA  ARG A  12      -1.508 -14.841  -4.694  1.00 64.32           C
ATOM    197  C   ARG A  12      -1.950 -15.622  -5.928  1.00 65.42           C
ATOM    198  O   ARG A  12      -2.745 -16.558  -5.833  1.00  5.31           O
ATOM    199  CB  ARG A  12      -1.881 -15.614  -3.428  1.00 23.03           C
ATOM    200  CG  ARG A  12      -3.372 -15.617  -3.133  1.00 61.13           C
ATOM    201  CD  ARG A  12      -3.792 -16.880  -2.398  1.00 61.20           C
ATOM    202  NE  ARG A  12      -5.183 -17.234  -2.668  1.00  1.20           N
ATOM    203  CZ  ARG A  12      -5.874 -18.104  -1.941  1.00 33.41           C
ATOM    204  NH1 ARG A  12      -5.307 -18.706  -0.905  1.00 22.51           N
ATOM    205  NH2 ARG A  12      -7.136 -18.374  -2.249  1.00 54.14           N
ATOM      0  H   ARG A  12      -3.127 -13.515  -4.565  1.00  5.03           H   new
ATOM      0  HA  ARG A  12      -0.426 -14.718  -4.731  1.00 64.32           H   new
ATOM      0  HB2 ARG A  12      -1.537 -16.643  -3.526  1.00 23.03           H   new
ATOM      0  HB3 ARG A  12      -1.352 -15.181  -2.579  1.00 23.03           H   new
ATOM      0  HG2 ARG A  12      -3.627 -14.744  -2.533  1.00 61.13           H   new
ATOM      0  HG3 ARG A  12      -3.929 -15.536  -4.067  1.00 61.13           H   new
ATOM      0  HD2 ARG A  12      -3.144 -17.705  -2.695  1.00 61.20           H   new
ATOM      0  HD3 ARG A  12      -3.656 -16.738  -1.326  1.00 61.20           H   new
ATOM      0  HE  ARG A  12      -5.649 -16.788  -3.458  1.00  1.20           H   new
ATOM      0 HH11 ARG A  12      -4.337 -18.501  -0.664  1.00 22.51           H   new
ATOM      0 HH12 ARG A  12      -5.841 -19.374  -0.348  1.00 22.51           H   new
ATOM      0 HH21 ARG A  12      -7.576 -17.913  -3.045  1.00 54.14           H   new
ATOM      0 HH22 ARG A  12      -7.666 -19.043  -1.690  1.00 54.14           H   new
ATOM    219  N   LYS A  13      -1.429 -15.232  -7.087  1.00 13.02           N
ATOM    220  CA  LYS A  13      -1.768 -15.895  -8.340  1.00 55.35           C
ATOM    221  C   LYS A  13      -1.495 -17.393  -8.255  1.00 52.02           C
ATOM    222  O   LYS A  13      -0.356 -17.816  -8.053  1.00 71.12           O
ATOM    223  CB  LYS A  13      -0.971 -15.285  -9.496  1.00 21.04           C
ATOM    224  CG  LYS A  13      -1.837 -14.596 -10.536  1.00 31.31           C
ATOM    225  CD  LYS A  13      -2.874 -15.544 -11.114  1.00 60.45           C
ATOM    226  CE  LYS A  13      -2.831 -15.557 -12.635  1.00 11.22           C
ATOM    227  NZ  LYS A  13      -4.101 -16.069 -13.221  1.00 44.44           N
ATOM      0  H   LYS A  13      -0.770 -14.460  -7.184  1.00 13.02           H   new
ATOM      0  HA  LYS A  13      -2.832 -15.748  -8.523  1.00 55.35           H   new
ATOM      0  HB2 LYS A  13      -0.258 -14.565  -9.094  1.00 21.04           H   new
ATOM      0  HB3 LYS A  13      -0.392 -16.071  -9.981  1.00 21.04           H   new
ATOM      0  HG2 LYS A  13      -2.337 -13.739 -10.085  1.00 31.31           H   new
ATOM      0  HG3 LYS A  13      -1.207 -14.211 -11.338  1.00 31.31           H   new
ATOM      0  HD2 LYS A  13      -2.699 -16.551 -10.735  1.00 60.45           H   new
ATOM      0  HD3 LYS A  13      -3.868 -15.246 -10.780  1.00 60.45           H   new
ATOM      0  HE2 LYS A  13      -2.643 -14.548 -13.002  1.00 11.22           H   new
ATOM      0  HE3 LYS A  13      -2.000 -16.178 -12.970  1.00 11.22           H   new
ATOM      0  HZ1 LYS A  13      -4.032 -16.062 -14.259  1.00 44.44           H   new
ATOM      0  HZ2 LYS A  13      -4.268 -17.041 -12.891  1.00 44.44           H   new
ATOM      0  HZ3 LYS A  13      -4.891 -15.462 -12.923  1.00 44.44           H   new
ATOM    241  N   LEU A  14      -2.546 -18.191  -8.412  1.00 24.05           N
ATOM    242  CA  LEU A  14      -2.418 -19.643  -8.354  1.00 34.22           C
ATOM    243  C   LEU A  14      -1.348 -20.135  -9.322  1.00 62.04           C
ATOM    244  O   LEU A  14      -0.664 -21.125  -9.060  1.00 32.23           O
ATOM    245  CB  LEU A  14      -3.759 -20.305  -8.678  1.00 23.41           C
ATOM    246  CG  LEU A  14      -4.475 -19.794  -9.928  1.00 60.13           C
ATOM    247  CD1 LEU A  14      -4.884 -20.955 -10.822  1.00  3.03           C
ATOM    248  CD2 LEU A  14      -5.689 -18.961  -9.544  1.00 72.03           C
ATOM      0  H   LEU A  14      -3.495 -17.857  -8.580  1.00 24.05           H   new
ATOM      0  HA  LEU A  14      -2.119 -19.917  -7.342  1.00 34.22           H   new
ATOM      0  HB2 LEU A  14      -3.595 -21.377  -8.790  1.00 23.41           H   new
ATOM      0  HB3 LEU A  14      -4.423 -20.172  -7.824  1.00 23.41           H   new
ATOM      0  HG  LEU A  14      -3.785 -19.160 -10.484  1.00 60.13           H   new
ATOM      0 HD11 LEU A  14      -5.392 -20.571 -11.707  1.00  3.03           H   new
ATOM      0 HD12 LEU A  14      -3.997 -21.511 -11.126  1.00  3.03           H   new
ATOM      0 HD13 LEU A  14      -5.557 -21.616 -10.275  1.00  3.03           H   new
ATOM      0 HD21 LEU A  14      -6.186 -18.605 -10.446  1.00 72.03           H   new
ATOM      0 HD22 LEU A  14      -6.381 -19.572  -8.965  1.00 72.03           H   new
ATOM      0 HD23 LEU A  14      -5.370 -18.108  -8.945  1.00 72.03           H   new
ATOM    260  N   THR A  15      -1.205 -19.435 -10.444  1.00 30.41           N
ATOM    261  CA  THR A  15      -0.217 -19.800 -11.452  1.00 11.35           C
ATOM    262  C   THR A  15       0.787 -18.673 -11.670  1.00 35.20           C
ATOM    263  O   THR A  15       0.770 -18.005 -12.704  1.00 71.34           O
ATOM    264  CB  THR A  15      -0.886 -20.144 -12.796  1.00 11.33           C
ATOM    265  OG1 THR A  15      -1.647 -19.025 -13.264  1.00 74.34           O
ATOM    266  CG2 THR A  15      -1.793 -21.357 -12.654  1.00 24.20           C
ATOM      0  H   THR A  15      -1.761 -18.612 -10.677  1.00 30.41           H   new
ATOM      0  HA  THR A  15       0.305 -20.681 -11.079  1.00 11.35           H   new
ATOM      0  HB  THR A  15      -0.103 -20.378 -13.518  1.00 11.33           H   new
ATOM      0  HG1 THR A  15      -1.099 -18.214 -13.218  1.00 74.34           H   new
ATOM      0 HG21 THR A  15      -2.254 -21.581 -13.616  1.00 24.20           H   new
ATOM      0 HG22 THR A  15      -1.205 -22.214 -12.325  1.00 24.20           H   new
ATOM      0 HG23 THR A  15      -2.570 -21.146 -11.919  1.00 24.20           H   new
ATOM    274  N   HIS A  16       1.661 -18.467 -10.690  1.00 33.30           N
ATOM    275  CA  HIS A  16       2.674 -17.421 -10.776  1.00 74.33           C
ATOM    276  C   HIS A  16       3.795 -17.828 -11.728  1.00 53.00           C
ATOM    277  O   HIS A  16       4.916 -18.101 -11.300  1.00 63.44           O
ATOM    278  CB  HIS A  16       3.248 -17.123  -9.391  1.00 50.42           C
ATOM    279  CG  HIS A  16       3.668 -18.348  -8.640  1.00 33.32           C
ATOM    280  ND1 HIS A  16       3.954 -19.598  -9.074  1.00 64.10           N   flip
ATOM    281  CD2 HIS A  16       3.833 -18.372  -7.271  1.00 21.13           C   flip
ATOM    282  CE1 HIS A  16       4.285 -20.346  -7.971  1.00  3.12           C   flip
ATOM    283  NE2 HIS A  16       4.205 -19.583  -6.896  1.00 24.12           N   flip
ATOM      0  H   HIS A  16       1.688 -19.010  -9.827  1.00 33.30           H   new
ATOM      0  HA  HIS A  16       2.199 -16.520 -11.166  1.00 74.33           H   new
ATOM      0  HB2 HIS A  16       4.107 -16.460  -9.498  1.00 50.42           H   new
ATOM      0  HB3 HIS A  16       2.502 -16.586  -8.805  1.00 50.42           H   new
ATOM      0  HD2 HIS A  16       3.682 -17.532  -6.609  1.00 21.13           H   new
ATOM      0  HE1 HIS A  16       4.565 -21.389  -7.981  1.00  3.12           H   new
ATOM      0  HE2 HIS A  16       4.398 -19.878  -5.939  1.00 24.12           H   new
ATOM    291  N   ARG A  17       3.483 -17.866 -13.019  1.00 62.34           N
ATOM    292  CA  ARG A  17       4.464 -18.242 -14.031  1.00 53.40           C
ATOM    293  C   ARG A  17       4.863 -17.035 -14.875  1.00  4.32           C
ATOM    294  O   ARG A  17       6.001 -16.936 -15.338  1.00 33.52           O
ATOM    295  CB  ARG A  17       3.903 -19.344 -14.932  1.00 12.35           C
ATOM    296  CG  ARG A  17       2.431 -19.165 -15.268  1.00 23.32           C
ATOM    297  CD  ARG A  17       1.980 -20.152 -16.333  1.00 34.43           C
ATOM    298  NE  ARG A  17       1.909 -21.518 -15.819  1.00 10.42           N
ATOM    299  CZ  ARG A  17       1.271 -22.504 -16.439  1.00 64.30           C
ATOM    300  NH1 ARG A  17       0.653 -22.278 -17.590  1.00 22.30           N
ATOM    301  NH2 ARG A  17       1.252 -23.720 -15.908  1.00 71.22           N
ATOM      0  H   ARG A  17       2.560 -17.641 -13.389  1.00 62.34           H   new
ATOM      0  HA  ARG A  17       5.351 -18.617 -13.520  1.00 53.40           H   new
ATOM      0  HB2 ARG A  17       4.478 -19.372 -15.858  1.00 12.35           H   new
ATOM      0  HB3 ARG A  17       4.041 -20.308 -14.442  1.00 12.35           H   new
ATOM      0  HG2 ARG A  17       1.832 -19.300 -14.368  1.00 23.32           H   new
ATOM      0  HG3 ARG A  17       2.257 -18.147 -15.617  1.00 23.32           H   new
ATOM      0  HD2 ARG A  17       1.001 -19.856 -16.711  1.00 34.43           H   new
ATOM      0  HD3 ARG A  17       2.671 -20.117 -17.175  1.00 34.43           H   new
ATOM      0  HE  ARG A  17       2.375 -21.726 -14.936  1.00 10.42           H   new
ATOM      0 HH11 ARG A  17       0.667 -21.345 -18.002  1.00 22.30           H   new
ATOM      0 HH12 ARG A  17       0.164 -23.037 -18.064  1.00 22.30           H   new
ATOM      0 HH21 ARG A  17       1.728 -23.898 -15.023  1.00 71.22           H   new
ATOM      0 HH22 ARG A  17       0.762 -24.477 -16.385  1.00 71.22           H   new
ATOM    315  N   LEU A  18       3.921 -16.119 -15.071  1.00 45.23           N
ATOM    316  CA  LEU A  18       4.175 -14.918 -15.860  1.00 14.10           C
ATOM    317  C   LEU A  18       4.181 -13.676 -14.974  1.00 61.13           C
ATOM    318  O   LEU A  18       4.909 -12.718 -15.235  1.00 64.42           O
ATOM    319  CB  LEU A  18       3.117 -14.771 -16.956  1.00 24.32           C
ATOM    320  CG  LEU A  18       2.947 -15.971 -17.889  1.00 11.33           C
ATOM    321  CD1 LEU A  18       1.481 -16.360 -17.995  1.00 33.32           C
ATOM    322  CD2 LEU A  18       3.520 -15.662 -19.264  1.00 55.04           C
ATOM      0  H   LEU A  18       2.975 -16.185 -14.695  1.00 45.23           H   new
ATOM      0  HA  LEU A  18       5.157 -15.017 -16.322  1.00 14.10           H   new
ATOM      0  HB2 LEU A  18       2.157 -14.566 -16.482  1.00 24.32           H   new
ATOM      0  HB3 LEU A  18       3.367 -13.899 -17.560  1.00 24.32           H   new
ATOM      0  HG  LEU A  18       3.496 -16.814 -17.470  1.00 11.33           H   new
ATOM      0 HD11 LEU A  18       1.379 -17.215 -18.663  1.00 33.32           H   new
ATOM      0 HD12 LEU A  18       1.102 -16.623 -17.007  1.00 33.32           H   new
ATOM      0 HD13 LEU A  18       0.910 -15.520 -18.391  1.00 33.32           H   new
ATOM      0 HD21 LEU A  18       3.390 -16.527 -19.915  1.00 55.04           H   new
ATOM      0 HD22 LEU A  18       2.999 -14.805 -19.691  1.00 55.04           H   new
ATOM      0 HD23 LEU A  18       4.582 -15.432 -19.173  1.00 55.04           H   new
ATOM    334  N   PHE A  19       3.366 -13.700 -13.925  1.00 24.13           N
ATOM    335  CA  PHE A  19       3.279 -12.577 -12.999  1.00 11.30           C
ATOM    336  C   PHE A  19       4.577 -12.418 -12.212  1.00 53.14           C
ATOM    337  O   PHE A  19       4.915 -11.321 -11.768  1.00  3.13           O
ATOM    338  CB  PHE A  19       2.106 -12.772 -12.036  1.00 22.22           C
ATOM    339  CG  PHE A  19       0.817 -12.184 -12.534  1.00  1.45           C
ATOM    340  CD1 PHE A  19      -0.012 -12.909 -13.374  1.00 13.14           C
ATOM    341  CD2 PHE A  19       0.435 -10.905 -12.162  1.00  1.42           C
ATOM    342  CE1 PHE A  19      -1.199 -12.370 -13.833  1.00 75.31           C
ATOM    343  CE2 PHE A  19      -0.751 -10.361 -12.618  1.00 21.02           C
ATOM    344  CZ  PHE A  19      -1.569 -11.094 -13.455  1.00 64.24           C
ATOM      0  H   PHE A  19       2.756 -14.485 -13.695  1.00 24.13           H   new
ATOM      0  HA  PHE A  19       3.115 -11.670 -13.582  1.00 11.30           H   new
ATOM      0  HB2 PHE A  19       1.965 -13.838 -11.859  1.00 22.22           H   new
ATOM      0  HB3 PHE A  19       2.355 -12.320 -11.076  1.00 22.22           H   new
ATOM      0  HD1 PHE A  19       0.272 -13.907 -13.674  1.00 13.14           H   new
ATOM      0  HD2 PHE A  19       1.071 -10.327 -11.508  1.00  1.42           H   new
ATOM      0  HE1 PHE A  19      -1.837 -12.946 -14.487  1.00 75.31           H   new
ATOM      0  HE2 PHE A  19      -1.038  -9.363 -12.320  1.00 21.02           H   new
ATOM      0  HZ  PHE A  19      -2.496 -10.671 -13.813  1.00 64.24           H   new
ATOM    354  N   ARG A  20       5.299 -13.521 -12.044  1.00 74.04           N
ATOM    355  CA  ARG A  20       6.558 -13.506 -11.310  1.00 40.52           C
ATOM    356  C   ARG A  20       7.629 -12.743 -12.084  1.00 64.25           C
ATOM    357  O   ARG A  20       8.563 -12.197 -11.497  1.00 64.21           O
ATOM    358  CB  ARG A  20       7.031 -14.934 -11.036  1.00 60.45           C
ATOM    359  CG  ARG A  20       7.799 -15.083  -9.733  1.00 54.30           C
ATOM    360  CD  ARG A  20       9.272 -15.366  -9.983  1.00 75.20           C
ATOM    361  NE  ARG A  20       9.933 -15.908  -8.799  1.00 44.41           N
ATOM    362  CZ  ARG A  20       9.764 -17.152  -8.367  1.00 63.32           C
ATOM    363  NH1 ARG A  20       8.959 -17.980  -9.019  1.00 23.11           N
ATOM    364  NH2 ARG A  20      10.402 -17.572  -7.281  1.00 54.55           N
ATOM      0  H   ARG A  20       5.033 -14.437 -12.407  1.00 74.04           H   new
ATOM      0  HA  ARG A  20       6.390 -12.999 -10.360  1.00 40.52           H   new
ATOM      0  HB2 ARG A  20       6.166 -15.596 -11.015  1.00 60.45           H   new
ATOM      0  HB3 ARG A  20       7.664 -15.262 -11.860  1.00 60.45           H   new
ATOM      0  HG2 ARG A  20       7.698 -14.172  -9.144  1.00 54.30           H   new
ATOM      0  HG3 ARG A  20       7.367 -15.893  -9.145  1.00 54.30           H   new
ATOM      0  HD2 ARG A  20       9.371 -16.071 -10.808  1.00 75.20           H   new
ATOM      0  HD3 ARG A  20       9.771 -14.446 -10.288  1.00 75.20           H   new
ATOM      0  HE  ARG A  20      10.559 -15.297  -8.275  1.00 44.41           H   new
ATOM      0 HH11 ARG A  20       8.468 -17.662  -9.854  1.00 23.11           H   new
ATOM      0 HH12 ARG A  20       8.831 -18.935  -8.685  1.00 23.11           H   new
ATOM      0 HH21 ARG A  20      11.023 -16.939  -6.777  1.00 54.55           H   new
ATOM      0 HH22 ARG A  20      10.271 -18.528  -6.950  1.00 54.55           H   new
ATOM    378  N   ARG A  21       7.487 -12.711 -13.405  1.00 63.25           N
ATOM    379  CA  ARG A  21       8.443 -12.018 -14.260  1.00 45.31           C
ATOM    380  C   ARG A  21       8.135 -10.525 -14.321  1.00  2.52           C
ATOM    381  O   ARG A  21       9.031  -9.703 -14.508  1.00 44.03           O
ATOM    382  CB  ARG A  21       8.424 -12.611 -15.670  1.00 34.10           C
ATOM    383  CG  ARG A  21       9.611 -12.195 -16.523  1.00 21.04           C
ATOM    384  CD  ARG A  21       9.214 -11.159 -17.562  1.00 44.43           C
ATOM    385  NE  ARG A  21       9.279 -11.693 -18.920  1.00 45.41           N
ATOM    386  CZ  ARG A  21       9.114 -10.952 -20.010  1.00 14.51           C
ATOM    387  NH1 ARG A  21       8.875  -9.652 -19.902  1.00 14.11           N
ATOM    388  NH2 ARG A  21       9.187 -11.510 -21.211  1.00 64.32           N
ATOM      0  H   ARG A  21       6.719 -13.157 -13.906  1.00 63.25           H   new
ATOM      0  HA  ARG A  21       9.437 -12.150 -13.832  1.00 45.31           H   new
ATOM      0  HB2 ARG A  21       8.403 -13.698 -15.597  1.00 34.10           H   new
ATOM      0  HB3 ARG A  21       7.504 -12.308 -16.170  1.00 34.10           H   new
ATOM      0  HG2 ARG A  21      10.395 -11.789 -15.884  1.00 21.04           H   new
ATOM      0  HG3 ARG A  21      10.027 -13.071 -17.021  1.00 21.04           H   new
ATOM      0  HD2 ARG A  21       8.202 -10.810 -17.358  1.00 44.43           H   new
ATOM      0  HD3 ARG A  21       9.872 -10.294 -17.481  1.00 44.43           H   new
ATOM      0  HE  ARG A  21       9.461 -12.690 -19.038  1.00 45.41           H   new
ATOM      0 HH11 ARG A  21       8.818  -9.219 -18.980  1.00 14.11           H   new
ATOM      0 HH12 ARG A  21       8.749  -9.085 -20.741  1.00 14.11           H   new
ATOM      0 HH21 ARG A  21       9.370 -12.510 -21.299  1.00 64.32           H   new
ATOM      0 HH22 ARG A  21       9.060 -10.940 -22.047  1.00 64.32           H   new
ATOM    402  N   ASN A  22       6.861 -10.182 -14.161  1.00 41.41           N
ATOM    403  CA  ASN A  22       6.434  -8.788 -14.199  1.00  3.41           C
ATOM    404  C   ASN A  22       6.734  -8.091 -12.875  1.00 40.11           C
ATOM    405  O   ASN A  22       7.028  -6.896 -12.843  1.00  1.32           O
ATOM    406  CB  ASN A  22       4.938  -8.699 -14.508  1.00  4.34           C
ATOM    407  CG  ASN A  22       4.664  -8.487 -15.984  1.00 62.20           C
ATOM    408  OD1 ASN A  22       4.318  -7.386 -16.411  1.00 12.41           O
ATOM    409  ND2 ASN A  22       4.818  -9.545 -16.772  1.00 23.13           N
ATOM      0  H   ASN A  22       6.106 -10.850 -14.004  1.00 41.41           H   new
ATOM      0  HA  ASN A  22       6.992  -8.285 -14.989  1.00  3.41           H   new
ATOM      0  HB2 ASN A  22       4.447  -9.614 -14.178  1.00  4.34           H   new
ATOM      0  HB3 ASN A  22       4.500  -7.879 -13.939  1.00  4.34           H   new
ATOM      0 HD21 ASN A  22       4.648  -9.463 -17.774  1.00 23.13           H   new
ATOM      0 HD22 ASN A  22       5.107 -10.439 -16.375  1.00 23.13           H   new
ATOM    416  N   PHE A  23       6.658  -8.846 -11.785  1.00 30.54           N
ATOM    417  CA  PHE A  23       6.921  -8.302 -10.457  1.00 73.25           C
ATOM    418  C   PHE A  23       8.339  -7.746 -10.369  1.00 13.51           C
ATOM    419  O   PHE A  23       8.618  -6.852  -9.571  1.00 12.12           O
ATOM    420  CB  PHE A  23       6.716  -9.380  -9.391  1.00 64.32           C
ATOM    421  CG  PHE A  23       5.409  -9.262  -8.661  1.00 40.54           C
ATOM    422  CD1 PHE A  23       4.221  -9.119  -9.360  1.00 30.21           C
ATOM    423  CD2 PHE A  23       5.368  -9.292  -7.277  1.00  3.43           C
ATOM    424  CE1 PHE A  23       3.016  -9.010  -8.691  1.00 41.14           C
ATOM    425  CE2 PHE A  23       4.166  -9.183  -6.603  1.00 25.31           C
ATOM    426  CZ  PHE A  23       2.989  -9.041  -7.311  1.00 21.10           C
ATOM      0  H   PHE A  23       6.416  -9.837 -11.794  1.00 30.54           H   new
ATOM      0  HA  PHE A  23       6.219  -7.488 -10.279  1.00 73.25           H   new
ATOM      0  HB2 PHE A  23       6.772 -10.361  -9.863  1.00 64.32           H   new
ATOM      0  HB3 PHE A  23       7.532  -9.326  -8.670  1.00 64.32           H   new
ATOM      0  HD1 PHE A  23       4.237  -9.092 -10.440  1.00 30.21           H   new
ATOM      0  HD2 PHE A  23       6.286  -9.402  -6.718  1.00  3.43           H   new
ATOM      0  HE1 PHE A  23       2.097  -8.901  -9.247  1.00 41.14           H   new
ATOM      0  HE2 PHE A  23       4.147  -9.209  -5.523  1.00 25.31           H   new
ATOM      0  HZ  PHE A  23       2.049  -8.954  -6.786  1.00 21.10           H   new
ATOM    436  N   GLY A  24       9.232  -8.282 -11.195  1.00 74.13           N
ATOM    437  CA  GLY A  24      10.610  -7.828 -11.194  1.00 71.05           C
ATOM    438  C   GLY A  24      10.730  -6.339 -11.451  1.00 11.24           C
ATOM    439  O   GLY A  24      11.720  -5.714 -11.070  1.00 21.24           O
ATOM      0  H   GLY A  24       9.026  -9.023 -11.865  1.00 74.13           H   new
ATOM      0  HA2 GLY A  24      11.067  -8.066 -10.233  1.00 71.05           H   new
ATOM      0  HA3 GLY A  24      11.169  -8.371 -11.956  1.00 71.05           H   new
ATOM    443  N   TYR A  25       9.720  -5.769 -12.099  1.00  4.42           N
ATOM    444  CA  TYR A  25       9.719  -4.344 -12.409  1.00 51.13           C
ATOM    445  C   TYR A  25       9.255  -3.525 -11.208  1.00 64.23           C
ATOM    446  O   TYR A  25       9.621  -2.359 -11.058  1.00  0.24           O
ATOM    447  CB  TYR A  25       8.815  -4.064 -13.611  1.00 43.52           C
ATOM    448  CG  TYR A  25       9.523  -4.182 -14.942  1.00 23.21           C
ATOM    449  CD1 TYR A  25      10.319  -5.284 -15.232  1.00 10.14           C
ATOM    450  CD2 TYR A  25       9.398  -3.193 -15.909  1.00 13.41           C
ATOM    451  CE1 TYR A  25      10.968  -5.397 -16.446  1.00  5.53           C
ATOM    452  CE2 TYR A  25      10.042  -3.297 -17.126  1.00 62.52           C
ATOM    453  CZ  TYR A  25      10.827  -4.401 -17.390  1.00 34.02           C
ATOM    454  OH  TYR A  25      11.471  -4.509 -18.601  1.00  4.53           O
ATOM      0  H   TYR A  25       8.892  -6.271 -12.420  1.00  4.42           H   new
ATOM      0  HA  TYR A  25      10.740  -4.050 -12.653  1.00 51.13           H   new
ATOM      0  HB2 TYR A  25       7.975  -4.759 -13.593  1.00 43.52           H   new
ATOM      0  HB3 TYR A  25       8.401  -3.060 -13.517  1.00 43.52           H   new
ATOM      0  HD1 TYR A  25      10.432  -6.066 -14.495  1.00 10.14           H   new
ATOM      0  HD2 TYR A  25       8.786  -2.327 -15.705  1.00 13.41           H   new
ATOM      0  HE1 TYR A  25      11.582  -6.260 -16.655  1.00  5.53           H   new
ATOM      0  HE2 TYR A  25       9.932  -2.519 -17.867  1.00 62.52           H   new
ATOM      0  HH  TYR A  25      11.266  -3.725 -19.152  1.00  4.53           H   new
ATOM    464  N   THR A  26       8.447  -4.145 -10.354  1.00 23.21           N
ATOM    465  CA  THR A  26       7.932  -3.476  -9.166  1.00 43.01           C
ATOM    466  C   THR A  26       8.865  -3.672  -7.976  1.00 61.35           C
ATOM    467  O   THR A  26       8.977  -2.802  -7.112  1.00 31.22           O
ATOM    468  CB  THR A  26       6.529  -3.992  -8.794  1.00 43.24           C
ATOM    469  OG1 THR A  26       6.369  -5.342  -9.243  1.00 60.22           O
ATOM    470  CG2 THR A  26       5.450  -3.116  -9.411  1.00 54.43           C
ATOM      0  H   THR A  26       8.135  -5.110 -10.463  1.00 23.21           H   new
ATOM      0  HA  THR A  26       7.869  -2.414  -9.404  1.00 43.01           H   new
ATOM      0  HB  THR A  26       6.428  -3.956  -7.709  1.00 43.24           H   new
ATOM      0  HG1 THR A  26       7.224  -5.815  -9.168  1.00 60.22           H   new
ATOM      0 HG21 THR A  26       4.468  -3.500  -9.135  1.00 54.43           H   new
ATOM      0 HG22 THR A  26       5.557  -2.095  -9.045  1.00 54.43           H   new
ATOM      0 HG23 THR A  26       5.551  -3.125 -10.496  1.00 54.43           H   new
ATOM    478  N   LEU A  27       9.534  -4.820  -7.938  1.00 53.51           N
ATOM    479  CA  LEU A  27      10.459  -5.130  -6.854  1.00 32.03           C
ATOM    480  C   LEU A  27      11.835  -4.529  -7.123  1.00 33.12           C
ATOM    481  O   LEU A  27      12.560  -4.174  -6.194  1.00  2.51           O
ATOM    482  CB  LEU A  27      10.577  -6.645  -6.676  1.00  2.31           C
ATOM    483  CG  LEU A  27      10.212  -7.189  -5.294  1.00 45.22           C
ATOM    484  CD1 LEU A  27       9.743  -8.632  -5.396  1.00 11.23           C
ATOM    485  CD2 LEU A  27      11.398  -7.077  -4.347  1.00 62.30           C
ATOM      0  H   LEU A  27       9.453  -5.551  -8.645  1.00 53.51           H   new
ATOM      0  HA  LEU A  27      10.065  -4.692  -5.937  1.00 32.03           H   new
ATOM      0  HB2 LEU A  27       9.938  -7.128  -7.415  1.00  2.31           H   new
ATOM      0  HB3 LEU A  27      11.602  -6.938  -6.901  1.00  2.31           H   new
ATOM      0  HG  LEU A  27       9.394  -6.590  -4.893  1.00 45.22           H   new
ATOM      0 HD11 LEU A  27       9.488  -9.003  -4.403  1.00 11.23           H   new
ATOM      0 HD12 LEU A  27       8.865  -8.685  -6.040  1.00 11.23           H   new
ATOM      0 HD13 LEU A  27      10.540  -9.245  -5.818  1.00 11.23           H   new
ATOM      0 HD21 LEU A  27      11.120  -7.469  -3.368  1.00 62.30           H   new
ATOM      0 HD22 LEU A  27      12.236  -7.651  -4.743  1.00 62.30           H   new
ATOM      0 HD23 LEU A  27      11.689  -6.031  -4.250  1.00 62.30           H   new
ATOM    497  N   ARG A  28      12.186  -4.417  -8.400  1.00  3.14           N
ATOM    498  CA  ARG A  28      13.475  -3.858  -8.791  1.00 14.10           C
ATOM    499  C   ARG A  28      13.288  -2.595  -9.626  1.00 51.33           C
ATOM    500  O   ARG A  28      13.680  -1.503  -9.214  1.00 52.23           O
ATOM    501  CB  ARG A  28      14.284  -4.889  -9.580  1.00 75.00           C
ATOM    502  CG  ARG A  28      15.645  -5.188  -8.975  1.00  3.44           C
ATOM    503  CD  ARG A  28      16.365  -6.289  -9.737  1.00 73.03           C
ATOM    504  NE  ARG A  28      17.302  -7.020  -8.889  1.00 45.31           N
ATOM    505  CZ  ARG A  28      18.477  -6.533  -8.503  1.00 34.23           C
ATOM    506  NH1 ARG A  28      18.855  -5.322  -8.886  1.00 55.44           N
ATOM    507  NH2 ARG A  28      19.275  -7.259  -7.730  1.00 41.24           N
ATOM      0  H   ARG A  28      11.597  -4.706  -9.181  1.00  3.14           H   new
ATOM      0  HA  ARG A  28      14.020  -3.596  -7.884  1.00 14.10           H   new
ATOM      0  HB2 ARG A  28      13.713  -5.815  -9.643  1.00 75.00           H   new
ATOM      0  HB3 ARG A  28      14.420  -4.528 -10.599  1.00 75.00           H   new
ATOM      0  HG2 ARG A  28      16.253  -4.283  -8.980  1.00  3.44           H   new
ATOM      0  HG3 ARG A  28      15.524  -5.485  -7.933  1.00  3.44           H   new
ATOM      0  HD2 ARG A  28      15.632  -6.983 -10.149  1.00 73.03           H   new
ATOM      0  HD3 ARG A  28      16.902  -5.854 -10.580  1.00 73.03           H   new
ATOM      0  HE  ARG A  28      17.041  -7.955  -8.576  1.00 45.31           H   new
ATOM      0 HH11 ARG A  28      18.244  -4.761  -9.479  1.00 55.44           H   new
ATOM      0 HH12 ARG A  28      19.757  -4.951  -8.588  1.00 55.44           H   new
ATOM      0 HH21 ARG A  28      18.987  -8.191  -7.432  1.00 41.24           H   new
ATOM      0 HH22 ARG A  28      20.177  -6.885  -7.434  1.00 41.24           H   new
TER     521      ARG A  28