[gmx-users] pdb file

ms devicerandom at gmail.com
Fri Aug 6 17:05:40 CEST 2010


On 06/08/10 13:59, leila karami wrote:
> Hi gromacs users
>
> I obtained pdb input file for gromacs from STRAP program. this pdb
> file coantains protein and dna. this pdb file was obtaind form
> superposition of 2 other pdb files. there is one problem: when I see
> pdb file obtained from STRAP program by VMD, some bonds are
> disappeared whereas when I open same file by text editor all things
> are normal.as I can not attached this pdb file, I put residues 10-40
> corresponding to protein from pdb.
>
> please guide me

I guess you should ask to the VMD mailing list. It is probably due to 
VMD having some automatic setting for bond lengths? (I have the opposite 
problem often, I see bonds in VMD which do not exist in the pdb)

>
> ATOM     95  N   GLY A  10      -1.818  -6.947 -14.722  1.00  0.00           N
> ATOM     96  CA  GLY A  10      -1.256  -7.638 -13.576  1.00  0.00           C
> ATOM     97  C   GLY A  10      -2.311  -8.357 -12.758  1.00  0.00           C
> ATOM     98  O   GLY A  10      -3.368  -7.797 -12.468  1.00  0.00           O
> ATOM     99  H   GLY A  10      -2.768  -7.530 -14.939  1.00  0.00           H
> ATOM    100  HA2 GLY A  10      -0.531  -8.359 -13.923  1.00  0.00           H
> ATOM    101  HA3 GLY A  10      -0.758  -6.916 -12.944  1.00  0.00           H
> ATOM    102  N   GLN A  11      -2.230  -9.602 -12.388  1.00  0.00           N
> ATOM    103  CA  GLN A  11      -2.957 -10.399 -11.600  1.00  0.00           C
> ATOM    104  C   GLN A  11      -2.588 -10.366 -10.121  1.00  0.00           C
> ATOM    105  O   GLN A  11      -1.978 -11.302  -9.604  1.00  0.00           O
> ATOM    106  CB  GLN A  11      -2.977 -11.843 -12.104  1.00  0.00           C
> ATOM    107  CG  GLN A  11      -3.963 -12.790 -13.236  1.00  0.00           C
> ATOM    108  CD  GLN A  11      -5.336 -11.508 -12.942  1.00  0.00           C
> ATOM    109  OE1 GLN A  11      -5.869 -11.673 -11.845  1.00  0.00           O
> ATOM    110  NE2 GLN A  11      -5.918 -10.829 -13.926  1.00  0.00           N
> ATOM    111  H   GLN A  11      -1.164  -9.991 -12.649  1.00  0.00           H
> ATOM    112  HA  GLN A  11      -3.941  -9.972 -11.722  1.00  0.00           H
> ATOM    113  HB2 GLN A  11      -1.990 -12.102 -12.454  1.00  0.00           H
> ATOM    114  HB3 GLN A  11      -3.242 -12.493 -11.282  1.00  0.00           H
> ATOM    115  HG2 GLN A  11      -3.582 -11.616 -14.132  1.00  0.00           H
> ATOM    116  HG3 GLN A  11      -4.590 -13.144 -13.395  1.00  0.00           H
> ATOM    117 HE21 GLN A  11      -5.434 -10.739 -14.774  1.00  0.00           H
> ATOM    118 HE22 GLN A  11      -6.805 -10.449 -13.763  1.00  0.00           H
> ATOM    119  N   VAL A  12      -2.960  -9.284  -9.446  1.00  0.00           N
> ATOM    120  CA  VAL A  12      -2.670  -9.130  -8.270  1.00  0.00           C
> ATOM    121  C   VAL A  12      -3.937  -8.829  -7.235  1.00  0.00           C
> ATOM    122  O   VAL A  12      -4.775  -8.340  -7.664  1.00  0.00           O
> ATOM    123  CB  VAL A  12      -1.644  -8.800  -7.782  1.00  0.00           C
> ATOM    124  CG1 VAL A  12      -1.342  -7.874  -6.296  1.00  0.00           C
> ATOM    125  CG2 VAL A  12      -0.370  -8.270  -8.571  1.00  0.00           C
> ATOM    126  H   VAL A  12      -3.444  -8.572  -9.914  1.00  0.00           H
> ATOM    127  HA  VAL A  12      -2.246 -10.600  -7.670  1.00  0.00           H
> ATOM    128  HB  VAL A  12      -2.710  -7.780  -8.126  1.00  0.00           H
> ATOM    129 HG11 VAL A  12      -2.268  -7.887  -5.739  1.00  0.00           H
> ATOM    130 HG12 VAL A  12      -0.718  -8.697  -5.980  1.00  0.00           H
> ATOM    131 HG13 VAL A  12      -0.828  -6.941  -6.117  1.00  0.00           H
> ATOM    132 HG21 VAL A  12       0.203  -9.430  -8.830  1.00  0.00           H
> ATOM    133 HG22 VAL A  12      -0.625  -8.588  -9.572  1.00  0.00           H
> ATOM    134 HG23 VAL A  12       0.215  -7.363  -8.621  1.00  0.00           H
> ATOM    135  N   ARG A  13      -4.710  -9.465  -6.760  1.00  0.00           N
> ATOM    136  CA  ARG A  13      -5.236  -9.265  -5.223  1.00  0.00           C
> ATOM    137  C   ARG A  13      -5.140  -9.881  -3.845  1.00  0.00           C
> ATOM    138  O   ARG A  13      -4.412 -10.947  -3.720  1.00  0.00           O
> ATOM    139  CB  ARG A  13      -6.480  -9.873  -5.874  1.00  0.00           C
> ATOM    140  CG  ARG A  13      -7.779  -9.475  -5.194  1.00  0.00           C
> ATOM    141  CD  ARG A  13      -8.147 -10.444  -4.830  1.00  0.00           C
> ATOM    142  NE  ARG A  13      -8.819 -11.635  -4.596  1.00  0.00           N
> ATOM    143  CZ  ARG A  13     -10.800 -11.611  -5.186  1.00  0.00           C
> ATOM    144  NH1 ARG A  13     -10.654 -10.463  -5.337  1.00  0.00           N
> ATOM    145  NH2 ARG A  13     -10.555 -12.737  -5.628  1.00  0.00           N
> ATOM    146  H   ARG A  13      -3.368 -10.860  -5.788  1.00  0.00           H
> ATOM    147  HA  ARG A  13      -5.385  -8.201  -5.110  1.00  0.00           H
> ATOM    148  HB2 ARG A  13      -6.526  -9.555  -6.904  1.00  0.00           H
> ATOM    149  HB3 ARG A  13      -6.397 -10.949  -5.841  1.00  0.00           H
> ATOM    150  HG2 ARG A  13      -7.665  -8.487  -4.770  1.00  0.00           H
> ATOM    151  HG3 ARG A  13      -8.571  -9.465  -5.928  1.00  0.00           H
> ATOM    152  HD2 ARG A  13      -7.245 -10.744  -3.571  1.00  0.00           H
> ATOM    153  HD3 ARG A  13      -8.805  -9.942  -3.388  1.00  0.00           H
> ATOM    154  HE  ARG A  13      -8.359 -12.494  -4.493  1.00  0.00           H
> ATOM    155 HH11 ARG A  13     -10.244  -9.612  -5.700  1.00  0.00           H
> ATOM    156 HH12 ARG A  13     -11.548 -10.447  -5.784  1.00  0.00           H
> ATOM    157 HH21 ARG A  13     -10.710 -13.604  -5.514  1.00  0.00           H
> ATOM    158 HH22 ARG A  13     -11.449 -12.718  -6.720  1.00  0.00           H
> ATOM    159  N   PHE A  14      -5.506  -9.204  -2.814  1.00  0.00           N
> ATOM    160  CA  PHE A  14      -5.361  -9.684  -1.444  1.00  0.00           C
> ATOM    161  C   PHE A  14      -6.629  -9.416  -0.638  1.00  0.00           C
> ATOM    162  O   PHE A  14      -7.910  -8.279  -0.546  1.00  0.00           O
> ATOM    163  CB  PHE A  14      -4.163  -9.120  -0.770  1.00  0.00           C
> ATOM    164  CG  PHE A  14      -2.845  -9.366  -1.399  1.00  0.00           C
> ATOM    165  CD1 PHE A  14      -2.352  -8.633  -2.466  1.00  0.00           C
> ATOM    166  CD2 PHE A  14      -2.101 -10.434  -0.922  1.00  0.00           C
> ATOM    167  CE1 PHE A  14      -1.139  -8.956  -3.460  1.00  0.00           C
> ATOM    168  CE2 PHE A  14      -0.888 -10.762  -1.499  1.00  0.00           C
> ATOM    169  CZ  PHE A  14      -0.407 -10.220  -2.562  1.00  0.00           C
> ATOM    170  H   PHE A  14      -5.978  -8.359  -2.977  1.00  0.00           H
> ATOM    171  HA  PHE A  14      -5.191 -10.748  -1.483  1.00  0.00           H
> ATOM    172  HB2 PHE A  14      -4.280  -7.940  -0.828  1.00  0.00           H
> ATOM    173  HB3 PHE A  14      -4.129  -9.312   0.266  1.00  0.00           H
> ATOM    174  HD1 PHE A  14      -2.926  -7.798  -2.845  1.00  0.00           H
> ATOM    175  HD2 PHE A  14      -2.474 -11.130  -0.920  1.00  0.00           H
> ATOM    176  HE1 PHE A  14      -0.768  -8.376  -3.878  1.00  0.00           H
> ATOM    177  HE2 PHE A  14      -0.317 -11.595  -1.120  1.00  0.00           H
> ATOM    178  HZ  PHE A  14       0.540 -10.277  -3.150  1.00  0.00           H
> ATOM    179  N   SER A  15      -7.184 -10.473  -0.540  1.00  0.00           N
> ATOM    180  CA  SER A  15      -8.402 -10.355   0.740  1.00  0.00           C
> ATOM    181  C   SER A  15      -8.269  -9.239   1.773  1.00  0.00           C
> ATOM    182  O   SER A  15      -7.164  -8.798   2.880  1.00  0.00           O
> ATOM    183  CB  SER A  15      -8.708 -11.680   1.442  1.00  0.00           C
> ATOM    184  OG  SER A  15     -10.980 -11.824   1.675  1.00  0.00           O
> ATOM    185  H   SER A  15      -6.769 -11.354  -0.166  1.00  0.00           H
> ATOM    186  HA  SER A  15      -9.213 -10.116   0.710  1.00  0.00           H
> ATOM    187  HB2 SER A  15      -8.373 -12.499   0.822  1.00  0.00           H
> ATOM    188  HB3 SER A  15      -8.189 -11.711   2.388  1.00  0.00           H
> ATOM    189  HG  SER A  15     -10.276 -11.739   2.615  1.00  0.00           H
> ATOM    190  N   ASN A  16      -9.404  -8.788   2.296  1.00  0.00           N
> ATOM    191  CA  ASN A  16      -9.416  -7.723   3.292  1.00  0.00           C
> ATOM    192  C   ASN A  16      -8.428  -8.200   4.416  1.00  0.00           C
> ATOM    193  O   ASN A  16      -7.487  -7.260   4.646  1.00  0.00           O
> ATOM    194  CB  ASN A  16     -10.824  -7.551   3.867  1.00  0.00           C
> ATOM    195  CG  ASN A  16     -10.822  -6.795   5.180  1.00  0.00           C
> ATOM    196  OD1 ASN A  16     -10.442  -7.334   6.219  1.00  0.00           O
> ATOM    197  ND2 ASN A  16     -11.250  -5.538   5.140  1.00  0.00           N
> ATOM    198  H   ASN A  16     -10.253  -9.180   2.500  1.00  0.00           H
> ATOM    199  HA  ASN A  16      -9.121  -6.808   2.802  1.00  0.00           H
> ATOM    200  HB2 ASN A  16     -11.430  -7.200   3.158  1.00  0.00           H
> ATOM    201  HB3 ASN A  16     -11.262  -8.524   4.320  1.00  0.00           H
> ATOM    202 HD21 ASN A  16     -11.538  -5.173   4.277  1.00  0.00           H
> ATOM    203 HD22 ASN A  16     -11.260  -5.260   5.975  1.00  0.00           H
> ATOM    204  N   ASP A  17      -8.649  -9.128   5.113  1.00  0.00           N
> ATOM    205  CA  ASP A  17      -7.778  -9.527   6.212  1.00  0.00           C
> ATOM    206  C   ASP A  17      -6.354  -9.760   5.721  1.00  0.00           C
> ATOM    207  O   ASP A  17      -5.394  -9.267   6.311  1.00  0.00           O
> ATOM    208  CB  ASP A  17      -8.314 -10.793   6.882  1.00  0.00           C
> ATOM    209  CG  ASP A  17      -9.409 -10.498   7.888  1.00  0.00           C
> ATOM    210  OD1 ASP A  17      -9.166  -9.694   8.812  1.00  0.00           O
> ATOM    211  OD2 ASP A  17     -10.510 -11.690   7.750  1.00  0.00           O
> ATOM    212  H   ASP A  17      -9.416  -9.694   4.881  1.00  0.00           H
> ATOM    213  HA  ASP A  17      -7.769  -8.725   6.935  1.00  0.00           H
> ATOM    214  HB2 ASP A  17      -8.713 -11.451   6.125  1.00  0.00           H
> ATOM    215  HB3 ASP A  17      -7.504 -11.291   7.395  1.00  0.00           H
> ATOM    216  N   GLN A  18      -6.224 -10.517   4.635  1.00  0.00           N
> ATOM    217  CA  GLN A  18      -4.916 -10.817   4.650  1.00  0.00           C
> ATOM    218  C   GLN A  18      -4.470  -9.564   4.600  1.00  0.00           C
> ATOM    219  O   GLN A  18      -2.973  -9.513   4.605  1.00  0.00           O
> ATOM    220  CB  GLN A  18      -5.720 -11.411   2.664  1.00  0.00           C
> ATOM    221  CG  GLN A  18      -5.251 -12.920   2.658  1.00  0.00           C
> ATOM    222  CD  GLN A  18      -5.576 -13.465   1.282  1.00  0.00           C
> ATOM    223  OE1 GLN A  18      -5.567 -12.730   0.293  1.00  0.00           O
> ATOM    224  NE2 GLN A  18      -5.863 -14.760   1.210  1.00  0.00           N
> ATOM    225  H   GLN A  18      -7.260 -10.881   4.209  1.00  0.00           H
> ATOM    226  HA  GLN A  18      -4.435 -11.543   4.703  1.00  0.00           H
> ATOM    227  HB2 GLN A  18      -5.934 -10.965   2.190  1.00  0.00           H
> ATOM    228  HB3 GLN A  18      -4.190 -11.173   2.850  1.00  0.00           H
> ATOM    229  HG2 GLN A  18      -4.337 -13.381   3.500  1.00  0.00           H
> ATOM    230  HG3 GLN A  18      -6.590 -13.176   3.331  1.00  0.00           H
> ATOM    231 HE21 GLN A  18      -5.852 -15.282   2.390  1.00  0.00           H
> ATOM    232 HE22 GLN A  18      -6.780 -15.138   0.333  1.00  0.00           H
> ATOM    233  N   THR A  19      -4.519  -8.557   3.279  1.00  0.00           N
> ATOM    234  CA  THR A  19      -3.786  -7.306   3.141  1.00  0.00           C
> ATOM    235  C   THR A  19      -3.420  -6.729   4.504  1.00  0.00           C
> ATOM    236  O   THR A  19      -2.276  -6.335   4.735  1.00  0.00           O
> ATOM    237  CB  THR A  19      -4.600  -6.261   2.355  1.00  0.00           C
> ATOM    238  OG1 THR A  19      -4.914  -6.763   1.520  1.00  0.00           O
> ATOM    239  CG2 THR A  19      -3.828  -4.955   2.230  1.00  0.00           C
> ATOM    240  H   THR A  19      -5.381  -8.659   2.825  1.00  0.00           H
> ATOM    241  HA  THR A  19      -2.878  -7.510   2.592  1.00  0.00           H
> ATOM    242  HB  THR A  19      -5.519  -6.670   2.889  1.00  0.00           H
> ATOM    243  HG1 THR A  19      -5.120  -7.717   1.900  1.00  0.00           H
> ATOM    244 HG21 THR A  19      -3.194  -4.995   1.356  1.00  0.00           H
> ATOM    245 HG22 THR A  19      -3.222  -4.810   3.111  1.00  0.00           H
> ATOM    246 HG23 THR A  19      -4.524  -4.135   2.131  1.00  0.00           H
> ATOM    247  N   ILE A  20      -4.396  -6.682   5.402  1.00  0.00           N
> ATOM    248  CA  ILE A  20      -4.176  -6.155   6.743  1.00  0.00           C
> ATOM    249  C   ILE A  20      -2.922  -6.756   7.370  1.00  0.00           C
> ATOM    250  O   ILE A  20      -1.944  -6.530   7.619  1.00  0.00           O
> ATOM    251  CB  ILE A  20      -5.380  -6.432   7.663  1.00  0.00           C
> ATOM    252  CG1 ILE A  20      -6.610  -5.663   7.175  1.00  0.00           C
> ATOM    253  CG2 ILE A  20      -5.470  -6.530   9.980  1.00  0.00           C
> ATOM    254  CD1 ILE A  20      -7.909  -6.165   7.763  1.00  0.00           C
> ATOM    255  H   ILE A  20      -5.287  -7.110   5.158  1.00  0.00           H
> ATOM    256  HA  ILE A  20      -4.470  -5.850   6.664  1.00  0.00           H
> ATOM    257  HB  ILE A  20      -5.591  -7.489   7.633  1.00  0.00           H
> ATOM    258 HG12 ILE A  20      -6.506  -4.623   7.441  1.00  0.00           H
> ATOM    259 HG13 ILE A  20      -6.675  -5.750   6.990  1.00  0.00           H
> ATOM    260 HG21 ILE A  20      -4.118  -6.519   9.387  1.00  0.00           H
> ATOM    261 HG22 ILE A  20      -4.952  -4.981   9.175  1.00  0.00           H
> ATOM    262 HG23 ILE A  20      -5.837  -6.393   9.751  1.00  0.00           H
> ATOM    263 HD11 ILE A  20      -8.454  -6.718   7.120  1.00  0.00           H
> ATOM    264 HD12 ILE A  20      -7.699  -6.808   8.604  1.00  0.00           H
> ATOM    265 HD13 ILE A  20      -8.505  -5.324   8.900  1.00  0.00           H
> ATOM    266  N   GLU A  21      -2.960  -8.620   7.622  1.00  0.00           N
> ATOM    267  CA  GLU A  21      -1.828  -8.758   8.220  1.00  0.00           C
> ATOM    268  C   GLU A  21      -0.555  -8.522   7.408  1.00  0.00           C
> ATOM    269  O   GLU A  21       0.458  -8.710   7.941  1.00  0.00           O
> ATOM    270  CB  GLU A  21      -2.114 -10.258   8.314  1.00  0.00           C
> ATOM    271  CG  GLU A  21      -3.620 -10.625   9.444  1.00  0.00           C
> ATOM    272  CD  GLU A  21      -2.835 -12.320   9.961  1.00  0.00           C
> ATOM    273  OE1 GLU A  21      -1.673 -12.375  10.260  1.00  0.00           O
> ATOM    274  OE2 GLU A  21      -3.822 -12.791  10.640  1.00  0.00           O
> ATOM    275  H   GLU A  21      -3.770  -8.567   7.401  1.00  0.00           H
> ATOM    276  HA  GLU A  21      -1.684  -8.364   9.213  1.00  0.00           H
> ATOM    277  HB2 GLU A  21      -2.549 -10.588   7.383  1.00  0.00           H
> ATOM    278  HB3 GLU A  21      -1.182 -10.779   8.470  1.00  0.00           H
> ATOM    279  HG2 GLU A  21      -2.917  -9.932  10.258  1.00  0.00           H
> ATOM    280  HG3 GLU A  21      -4.780 -10.548   9.830  1.00  0.00           H
> ATOM    281  N   LEU A  22      -0.619  -8.831   6.118  1.00  0.00           N
> ATOM    282  CA  LEU A  22       0.527  -8.654   5.232  1.00  0.00           C
> ATOM    283  C   LEU A  22       1.302  -7.390   5.592  1.00  0.00           C
> ATOM    284  O   LEU A  22       2.532  -7.373   5.550  1.00  0.00           O
> ATOM    285  CB  LEU A  22       0.640  -8.586   3.776  1.00  0.00           C
> ATOM    286  CG  LEU A  22      -0.261  -9.925   3.112  1.00  0.00           C
> ATOM    287  CD1 LEU A  22      -1.700  -9.708   1.843  1.00  0.00           C
> ATOM    288  CD2 LEU A  22       1.160 -10.694   2.808  1.00  0.00           C
> ATOM    289  H   LEU A  22      -1.453  -9.187   5.751  1.00  0.00           H
> ATOM    290  HA  LEU A  22       1.177  -9.508   5.357  1.00  0.00           H
> ATOM    291  HB2 LEU A  22      -0.823  -7.974   3.738  1.00  0.00           H
> ATOM    292  HB3 LEU A  22       0.850  -8.114   3.203  1.00  0.00           H
> ATOM    293  HG  LEU A  22      -0.856 -10.520   3.792  1.00  0.00           H
> ATOM    294 HD11 LEU A  22      -0.754  -8.793   1.366  1.00  0.00           H
> ATOM    295 HD12 LEU A  22      -2.118  -9.640   2.940  1.00  0.00           H
> ATOM    296 HD13 LEU A  22      -0.913 -10.538   1.171  1.00  0.00           H
> ATOM    297 HD21 LEU A  22       0.970 -11.810   1.800  1.00  0.00           H
> ATOM    298 HD22 LEU A  22       1.118 -11.513   3.505  1.00  0.00           H
> ATOM    299 HD23 LEU A  22       1.865 -10.340   2.901  1.00  0.00           H
> ATOM    300  N   GLU A  23       0.574  -6.335   5.946  1.00  0.00           N
> ATOM    301  CA  GLU A  23       1.195  -5.680   6.314  1.00  0.00           C
> ATOM    302  C   GLU A  23       1.865  -5.166   7.680  1.00  0.00           C
> ATOM    303  O   GLU A  23       3.790  -5.700   7.802  1.00  0.00           O
> ATOM    304  CB  GLU A  23       0.152  -3.948   6.323  1.00  0.00           C
> ATOM    305  CG  GLU A  23      -0.460  -3.676   4.960  1.00  0.00           C
> ATOM    306  CD  GLU A  23      -0.952  -2.247   4.817  1.00  0.00           C
> ATOM    307  OE1 GLU A  23      -1.677  -1.777   5.721  1.00  0.00           O
> ATOM    308  OE2 GLU A  23      -0.615  -1.601   3.805  1.00  0.00           O
> ATOM    309  H   GLU A  23      -0.402  -6.412   5.960  1.00  0.00           H
> ATOM    310  HA  GLU A  23       1.947  -4.841   5.572  1.00  0.00           H
> ATOM    311  HB2 GLU A  23      -0.641  -4.217   7.600  1.00  0.00           H
> ATOM    312  HB3 GLU A  23       0.621  -3.400   6.672  1.00  0.00           H
> ATOM    313  HG2 GLU A  23       0.284  -3.861   4.202  1.00  0.00           H
> ATOM    314  HG3 GLU A  23      -1.296  -4.344   4.815  1.00  0.00           H
> ATOM    315  N   LYS A  24       1.640  -5.430   8.708  1.00  0.00           N
> ATOM    316  CA  LYS A  24       1.578  -5.552  10.670  1.00  0.00           C
> ATOM    317  C   LYS A  24       2.895  -6.319  10.850  1.00  0.00           C
> ATOM    318  O   LYS A  24       3.710  -6.153  10.994  1.00  0.00           O
> ATOM    319  CB  LYS A  24       0.552  -6.256  10.960  1.00  0.00           C
> ATOM    320  CG  LYS A  24      -0.756  -5.500  11.950  1.00  0.00           C
> ATOM    321  CD  LYS A  24      -1.701  -6.192  12.620  1.00  0.00           C
> ATOM    322  CE  LYS A  24      -2.650  -5.202  12.722  1.00  0.00           C
> ATOM    323  NZ  LYS A  24      -3.881  -4.989  11.911  1.00  0.00           N
> ATOM    324  H   LYS A  24       0.104  -5.546   8.548  1.00  0.00           H
> ATOM    325  HA  LYS A  24       1.749  -4.555  10.446  1.00  0.00           H
> ATOM    326  HB2 LYS A  24       0.342  -7.230  10.545  1.00  0.00           H
> ATOM    327  HB3 LYS A  24       0.977  -6.378  11.947  1.00  0.00           H
> ATOM    328  HG2 LYS A  24      -0.551  -4.505  11.460  1.00  0.00           H
> ATOM    329  HG3 LYS A  24      -1.230  -5.440  10.126  1.00  0.00           H
> ATOM    330  HD2 LYS A  24      -2.283  -6.925  11.524  1.00  0.00           H
> ATOM    331  HD3 LYS A  24      -1.121  -6.685  12.829  1.00  0.00           H
> ATOM    332  HE2 LYS A  24      -2.928  -5.580  13.692  1.00  0.00           H
> ATOM    333  HE3 LYS A  24      -2.138  -4.257  12.836  1.00  0.00           H
> ATOM    334  HZ1 LYS A  24      -4.725  -5.171  12.492  1.00  0.00           H
> ATOM    335  HZ2 LYS A  24      -3.889  -5.638  11.970  1.00  0.00           H
> ATOM    336  HZ3 LYS A  24      -3.915  -4.110  11.562  1.00  0.00           H
> ATOM    337  N   LYS A  25       3.101  -7.156   9.740  1.00  0.00           N
> ATOM    338  CA  LYS A  25       4.322  -7.946   8.970  1.00  0.00           C
> ATOM    339  C   LYS A  25       5.463  -7.111   8.399  1.00  0.00           C
> ATOM    340  O   LYS A  25       6.493  -6.921   9.480  1.00  0.00           O
> ATOM    341  CB  LYS A  25       4.850  -9.175   8.920  1.00  0.00           C
> ATOM    342  CG  LYS A  25       5.136 -10.258   8.265  1.00  0.00           C
> ATOM    343  CD  LYS A  25       5.184 -10.767   9.696  1.00  0.00           C
> ATOM    344  CE  LYS A  25       5.946 -12.790   9.796  1.00  0.00           C
> ATOM    345  NZ  LYS A  25       5.669 -12.784  11.790  1.00  0.00           N
> ATOM    346  H   LYS A  25       2.415  -7.243   8.378  1.00  0.00           H
> ATOM    347  HA  LYS A  25       4.592  -8.270   9.965  1.00  0.00           H
> ATOM    348  HB2 LYS A  25       3.121  -9.597   8.335  1.00  0.00           H
> ATOM    349  HB3 LYS A  25       4.830  -8.868   7.560  1.00  0.00           H
> ATOM    350  HG2 LYS A  25       4.901 -11.830   7.609  1.00  0.00           H
> ATOM    351  HG3 LYS A  25       6.104  -9.854   8.300  1.00  0.00           H
> ATOM    352  HD2 LYS A  25       5.675 -10.290  10.314  1.00  0.00           H
> ATOM    353  HD3 LYS A  25       4.173 -10.918  10.480  1.00  0.00           H
> ATOM    354  HE2 LYS A  25       5.651 -12.715   8.975  1.00  0.00           H
> ATOM    355  HE3 LYS A  25       7.400 -11.871   9.730  1.00  0.00           H
> ATOM    356  HZ1 LYS A  25       6.105 -12.270  11.869  1.00  0.00           H
> ATOM    357  HZ2 LYS A  25       6.590 -13.748  11.480  1.00  0.00           H
> ATOM    358  HZ3 LYS A  25       4.643 -12.843  11.239  1.00  0.00           H
> ATOM    359  N   PHE A  26       5.276  -6.616   7.180  1.00  0.00           N
> ATOM    360  CA  PHE A  26       6.290  -5.801   6.522  1.00  0.00           C
> ATOM    361  C   PHE A  26       6.831  -4.735   7.469  1.00  0.00           C
> ATOM    362  O   PHE A  26       8.100  -4.357   7.394  1.00  0.00           O
> ATOM    363  CB  PHE A  26       5.710  -5.139   5.269  1.00  0.00           C
> ATOM    364  CG  PHE A  26       6.532  -3.988   4.764  1.00  0.00           C
> ATOM    365  CD1 PHE A  26       6.343  -2.711   5.268  1.00  0.00           C
> ATOM    366  CD2 PHE A  26       7.493  -4.184   3.786  1.00  0.00           C
> ATOM    367  CE1 PHE A  26       7.980  -1.651   4.802  1.00  0.00           C
> ATOM    368  CE2 PHE A  26       8.251  -3.128   3.319  1.00  0.00           C
> ATOM    369  CZ  PHE A  26       8.550  -1.860   3.828  1.00  0.00           C
> ATOM    370  H   PHE A  26       4.434  -6.802   6.713  1.00  0.00           H
> ATOM    371  HA  PHE A  26       7.100  -6.453   6.232  1.00  0.00           H
> ATOM    372  HB2 PHE A  26       5.646  -5.874   4.480  1.00  0.00           H
> ATOM    373  HB3 PHE A  26       4.721  -4.770   5.493  1.00  0.00           H
> ATOM    374  HD1 PHE A  26       5.597  -2.547   6.310  1.00  0.00           H
> ATOM    375  HD2 PHE A  26       7.650  -5.177   3.387  1.00  0.00           H
> ATOM    376  HE1 PHE A  26       6.941  -0.661   5.203  1.00  0.00           H
> ATOM    377  HE2 PHE A  26       8.998  -3.295   2.555  1.00  0.00           H
> ATOM    378  HZ  PHE A  26       8.645  -1.320   3.463  1.00  0.00           H
> ATOM    379  N   GLU A  27       5.970  -4.251   8.362  1.00  0.00           N
> ATOM    380  CA  GLU A  27       6.361  -3.227   9.322  1.00  0.00           C
> ATOM    381  C   GLU A  27       7.430  -3.756  10.276  1.00  0.00           C
> ATOM    382  O   GLU A  27       8.467  -3.119  10.479  1.00  0.00           O
> ATOM    383  CB  GLU A  27       5.144  -2.753  10.119  1.00  0.00           C
> ATOM    384  CG  GLU A  27       3.954  -2.384   9.248  1.00  0.00           C
> ATOM    385  CD  GLU A  27       4.370  -0.964   8.718  1.00  0.00           C
> ATOM    386  OE1 GLU A  27       4.697  -0.127   9.366  1.00  0.00           O
> ATOM    387  OE2 GLU A  27       3.440  -0.694   7.656  1.00  0.00           O
> ATOM    388  H   GLU A  27       5.520  -4.592   8.371  1.00  0.00           H
> ATOM    389  HA  GLU A  27       6.768  -2.394   8.772  1.00  0.00           H
> ATOM    390  HB2 GLU A  27       4.841  -3.539  10.793  1.00  0.00           H
> ATOM    391  HB3 GLU A  27       5.425  -1.884  10.696  1.00  0.00           H
> ATOM    392  HG2 GLU A  27       3.914  -3.620   8.409  1.00  0.00           H
> ATOM    393  HG3 GLU A  27       3.520  -2.481   9.833  1.00  0.00           H
> ATOM    394  N   THR A  28       7.173  -4.922  10.857  1.00  0.00           N
> ATOM    395  CA  THR A  28       8.111  -5.536  11.788  1.00  0.00           C
> ATOM    396  C   THR A  28       9.331  -6.860  11.590  1.00  0.00           C
> ATOM    397  O   THR A  28      10.402  -6.235  11.647  1.00  0.00           O
> ATOM    398  CB  THR A  28       7.447  -6.673  12.586  1.00  0.00           C
> ATOM    399  OG1 THR A  28       6.815  -7.596  11.692  1.00  0.00           O
> ATOM    400  CG2 THR A  28       6.420  -6.123  13.564  1.00  0.00           C
> ATOM    401  H   THR A  28       6.331  -5.381  10.654  1.00  0.00           H
> ATOM    402  HA  THR A  28       8.434  -4.776  12.486  1.00  0.00           H
> ATOM    403  HB  THR A  28       8.211  -7.195  13.145  1.00  0.00           H
> ATOM    404  HG1 THR A  28       7.451  -8.258  11.413  1.00  0.00           H
> ATOM    405 HG21 THR A  28       5.737  -6.908  13.850  1.00  0.00           H
> ATOM    406 HG22 THR A  28       5.869  -5.322  13.930  1.00  0.00           H
> ATOM    407 HG23 THR A  28       6.925  -5.746  14.441  1.00  0.00           H
> ATOM    408  N   GLN A  29       9.161  -6.387   9.776  1.00  0.00           N
> ATOM    409  CA  GLN A  29      10.250  -6.921   8.965  1.00  0.00           C
> ATOM    410  C   GLN A  29       9.998  -6.671   7.482  1.00  0.00           C
> ATOM    411  O   GLN A  29       9.830  -7.244   6.893  1.00  0.00           O
> ATOM    412  CB  GLN A  29      10.416  -8.420   9.222  1.00  0.00           C
> ATOM    413  CG  GLN A  29      11.845  -8.911   9.500  1.00  0.00           C
> ATOM    414  CD  GLN A  29      11.934 -10.421   8.956  1.00  0.00           C
> ATOM    415  OE1 GLN A  29      11.190 -11.142   9.621  1.00  0.00           O
> ATOM    416  NE2 GLN A  29      12.850 -10.909   8.128  1.00  0.00           N
> ATOM    417  H   GLN A  29       8.284  -6.245   9.364  1.00  0.00           H
> ATOM    418  HA  GLN A  29      11.157  -6.413   9.255  1.00  0.00           H
> ATOM    419  HB2 GLN A  29      10.102  -8.637  10.232  1.00  0.00           H
> ATOM    420  HB3 GLN A  29       9.786  -8.963   8.534  1.00  0.00           H
> ATOM    421  HG2 GLN A  29      12.253  -8.486   8.147  1.00  0.00           H
> ATOM    422  HG3 GLN A  29      12.428  -8.581   9.897  1.00  0.00           H
> ATOM    423 HE21 GLN A  29      13.409 -10.276   7.631  1.00  0.00           H
> ATOM    424 HE22 GLN A  29      12.930 -11.883   8.480  1.00  0.00           H
> ATOM    425  N   LYS A  30      10.817  -5.813   6.885  1.00  0.00           N
> ATOM    426  CA  LYS A  30      10.685  -5.487   5.469  1.00  0.00           C
> ATOM    427  C   LYS A  30      10.743  -6.749   4.613  1.00  0.00           C
> ATOM    428  O   LYS A  30      10.140  -6.812   3.542  1.00  0.00           O
> ATOM    429  CB  LYS A  30      11.788  -4.518   5.430  1.00  0.00           C
> ATOM    430  CG  LYS A  30      11.829  -3.243   5.867  1.00  0.00           C
> ATOM    431  CD  LYS A  30      10.746  -2.266   5.439  1.00  0.00           C
> ATOM    432  CE  LYS A  30      10.347  -1.342   6.579  1.00  0.00           C
> ATOM    433  NZ  LYS A  30       9.569  -2.590   7.628  1.00  0.00           N
> ATOM    434  H   LYS A  30      11.529  -5.388   7.408  1.00  0.00           H
> ATOM    435  HA  LYS A  30       9.725  -5.130   5.327  1.00  0.00           H
> ATOM    436  HB2 LYS A  30      12.743  -5.130   5.137  1.00  0.00           H
> ATOM    437  HB3 LYS A  30      11.633  -4.248   4.700  1.00  0.00           H
> ATOM    438  HG2 LYS A  30      11.684  -3.492   6.907  1.00  0.00           H
> ATOM    439  HG3 LYS A  30      12.795  -2.773   5.738  1.00  0.00           H
> ATOM    440  HD2 LYS A  30      11.116  -1.669   4.618  1.00  0.00           H
> ATOM    441  HD3 LYS A  30       9.878  -2.825   5.118  1.00  0.00           H
> ATOM    442  HE2 LYS A  30      11.241  -0.932   7.240  1.00  0.00           H
> ATOM    443  HE3 LYS A  30       9.743  -0.541   6.180  1.00  0.00           H
> ATOM    444  HZ1 LYS A  30       8.550  -1.940   7.461  1.00  0.00           H
> ATOM    445  HZ2 LYS A  30       9.803  -1.680   8.567  1.00  0.00           H
> ATOM    446  HZ3 LYS A  30       9.795  -3.750   7.610  1.00  0.00           H
> ATOM    447  N   TYR A  31      11.470  -7.750   5.930  1.00  0.00           N
> ATOM    448  CA  TYR A  31      11.607  -9.100   4.372  1.00  0.00           C
> ATOM    449  C   TYR A  31      11.289 -10.196   5.278  1.00  0.00           C
> ATOM    450  O   TYR A  31      11.620 -10.310   6.479  1.00  0.00           O
> ATOM    451  CB  TYR A  31      13.220  -9.149   3.809  1.00  0.00           C
> ATOM    452  CG  TYR A  31      13.295  -8.251   2.624  1.00  0.00           C
> ATOM    453  CD1 TYR A  31      13.447  -6.880   2.786  1.00  0.00           C
> ATOM    454  CD2 TYR A  31      13.397  -8.774   1.341  1.00  0.00           C
> ATOM    455  CE1 TYR A  31      13.694  -6.560   1.704  1.00  0.00           C
> ATOM    456  CE2 TYR A  31      13.647  -7.959   0.254  1.00  0.00           C
> ATOM    457  CZ  TYR A  31      13.793  -6.599   0.442  1.00  0.00           C
> ATOM    458  OH  TYR A  31      14.410  -5.782  -0.637  1.00  0.00           O
> ATOM    459  H   TYR A  31      11.927  -7.642   5.953  1.00  0.00           H
> ATOM    460  HA  TYR A  31      10.904  -9.100   3.552  1.00  0.00           H
> ATOM    461  HB2 TYR A  31      13.736  -8.902   4.581  1.00  0.00           H
> ATOM    462  HB3 TYR A  31      13.180 -10.170   3.496  1.00  0.00           H
> ATOM    463  HD1 TYR A  31      13.369  -6.456   3.777  1.00  0.00           H
> ATOM    464  HD2 TYR A  31      13.282  -9.840   1.197  1.00  0.00           H
> ATOM    465  HE1 TYR A  31      13.809  -4.992   1.851  1.00  0.00           H
> ATOM    466  HE2 TYR A  31      13.723  -8.383  -0.735  1.00  0.00           H
> ATOM    467  HH  TYR A  31      13.836  -6.254  -1.449  1.00  0.00           H
> ATOM    468  N   LEU A  32      11.277 -11.390   4.697  1.00  0.00           N
> ATOM    469  CA  LEU A  32      10.987 -12.604   5.452  1.00  0.00           C
> ATOM    470  C   LEU A  32      11.680 -13.812   4.826  1.00  0.00           C
> ATOM    471  O   LEU A  32      11.489 -14.105   3.644  1.00  0.00           O
> ATOM    472  CB  LEU A  32       9.477 -12.843   5.513  1.00  0.00           C
> ATOM    473  CG  LEU A  32       8.647 -11.725   6.144  1.00  0.00           C
> ATOM    474  CD1 LEU A  32       7.204 -11.800   5.670  1.00  0.00           C
> ATOM    475  CD2 LEU A  32       8.717 -11.800   7.663  1.00  0.00           C
> ATOM    476  H   LEU A  32      11.465 -11.458   3.738  1.00  0.00           H
> ATOM    477  HA  LEU A  32      11.364 -12.470   6.454  1.00  0.00           H
> ATOM    478  HB2 LEU A  32       9.125 -12.989   4.506  1.00  0.00           H
> ATOM    479  HB3 LEU A  32       9.310 -13.744   6.860  1.00  0.00           H
> ATOM    480  HG  LEU A  32       9.500 -10.770   5.836  1.00  0.00           H
> ATOM    481 HD11 LEU A  32       6.543 -11.609   6.500  1.00  0.00           H
> ATOM    482 HD12 LEU A  32       7.700 -12.784   5.270  1.00  0.00           H
> ATOM    483 HD13 LEU A  32       7.390 -11.590   4.901  1.00  0.00           H
> ATOM    484 HD21 LEU A  32       8.590 -12.824   7.978  1.00  0.00           H
> ATOM    485 HD22 LEU A  32       7.929 -11.194   8.880  1.00  0.00           H
> ATOM    486 HD23 LEU A  32       9.675 -11.434   7.998  1.00  0.00           H
> ATOM    487  N   SER A  33      12.480 -14.508   5.625  1.00  0.00           N
> ATOM    488  CA  SER A  33      13.201 -15.683   5.147  1.00  0.00           C
> ATOM    489  C   SER A  33      12.234 -16.743   4.633  1.00  0.00           C
> ATOM    490  O   SER A  33      11.670 -16.798   5.260  1.00  0.00           O
> ATOM    491  CB  SER A  33      14.660 -16.265   6.268  1.00  0.00           C
> ATOM    492  OG  SER A  33      14.698 -15.237   7.110  1.00  0.00           O
> ATOM    493  H   SER A  33      12.592 -14.225   6.555  1.00  0.00           H
> ATOM    494  HA  SER A  33      13.842 -15.373   4.335  1.00  0.00           H
> ATOM    495  HB2 SER A  33      13.447 -16.845   6.934  1.00  0.00           H
> ATOM    496  HB3 SER A  33      14.826 -16.902   5.837  1.00  0.00           H
> ATOM    497  HG  SER A  33      14.940 -14.906   7.678  1.00  0.00           H
> ATOM    498  N   PRO A  34      12.727 -17.609   3.735  1.00  0.00           N
> ATOM    499  CA  PRO A  34      11.923 -18.685   3.148  1.00  0.00           C
> ATOM    500  C   PRO A  34      11.151 -19.472   4.201  1.00  0.00           C
> ATOM    501  O   PRO A  34       9.970 -19.781   4.380  1.00  0.00           O
> ATOM    502  CB  PRO A  34      12.965 -19.576   2.470  1.00  0.00           C
> ATOM    503  CG  PRO A  34      14.104 -18.666   2.167  1.00  0.00           C
> ATOM    504  CD  PRO A  34      14.107 -17.603   3.223  1.00  0.00           C
> ATOM    505  HA  PRO A  34      11.234 -18.305   2.407  1.00  0.00           H
> ATOM    506  HB2 PRO A  34      13.260 -20.368   3.145  1.00  0.00           H
> ATOM    507  HB3 PRO A  34      12.550 -20.000   1.569  1.00  0.00           H
> ATOM    508  HG2 PRO A  34      15.320 -19.215   2.200  1.00  0.00           H
> ATOM    509  HG3 PRO A  34      13.967 -18.215   1.195  1.00  0.00           H
> ATOM    510  HD2 PRO A  34      14.809 -17.854   4.500  1.00  0.00           H
> ATOM    511  HD3 PRO A  34      14.353 -16.645   2.788  1.00  0.00           H
> ATOM    512  N   PRO A  35      11.831 -19.806   5.308  1.00  0.00           N
> ATOM    513  CA  PRO A  35      11.227 -20.562   6.409  1.00  0.00           C
> ATOM    514  C   PRO A  35       9.875 -19.996   6.828  1.00  0.00           C
> ATOM    515  O   PRO A  35       8.909 -20.739   7.000  1.00  0.00           O
> ATOM    516  CB  PRO A  35      12.244 -20.409   7.543  1.00  0.00           C
> ATOM    517  CG  PRO A  35      13.545 -20.174   6.855  1.00  0.00           C
> ATOM    518  CD  PRO A  35      13.241 -19.472   5.569  1.00  0.00           C
> ATOM    519  HA  PRO A  35      11.118 -21.607   6.160  1.00  0.00           H
> ATOM    520  HB2 PRO A  35      11.968 -19.569   8.166  1.00  0.00           H
> ATOM    521  HB3 PRO A  35      12.267 -21.311   8.135  1.00  0.00           H
> ATOM    522  HG2 PRO A  35      14.178 -19.554   7.471  1.00  0.00           H
> ATOM    523  HG3 PRO A  35      14.270 -21.118   6.651  1.00  0.00           H
> ATOM    524  HD2 PRO A  35      13.368 -18.406   5.687  1.00  0.00           H
> ATOM    525  HD3 PRO A  35      13.878 -19.845   4.781  1.00  0.00           H
> ATOM    526  N   GLU A  36       9.812 -18.679   6.988  1.00  0.00           N
> ATOM    527  CA  GLU A  36       8.576 -18.140   7.387  1.00  0.00           C
> ATOM    528  C   GLU A  36       7.651 -17.823   6.189  1.00  0.00           C
> ATOM    529  O   GLU A  36       6.557 -18.385   6.142  1.00  0.00           O
> ATOM    530  CB  GLU A  36       8.883 -16.660   8.290  1.00  0.00           C
> ATOM    531  CG  GLU A  36      10.120 -16.711   9.460  1.00  0.00           C
> ATOM    532  CD  GLU A  36       9.519 -17.000  10.451  1.00  0.00           C
> ATOM    533  OE1 GLU A  36       8.428 -16.510  10.810  1.00  0.00           O
> ATOM    534  OE2 GLU A  36      10.223 -17.718  11.190  1.00  0.00           O
> ATOM    535  H   GLU A  36      10.618 -18.139   6.836  1.00  0.00           H
> ATOM    536  HA  GLU A  36       8.830 -18.644   8.112  1.00  0.00           H
> ATOM    537  HB2 GLU A  36       9.156 -15.961   7.254  1.00  0.00           H
> ATOM    538  HB3 GLU A  36       7.993 -16.302   8.527  1.00  0.00           H
> ATOM    539  HG2 GLU A  36      10.704 -17.486   8.758  1.00  0.00           H
> ATOM    540  HG3 GLU A  36      10.520 -15.757   9.500  1.00  0.00           H
> ATOM    541  N   ARG A  37       8.100 -17.270   5.223  1.00  0.00           N
> ATOM    542  CA  ARG A  37       7.311 -16.760   4.260  1.00  0.00           C
> ATOM    543  C   ARG A  37       6.501 -17.989   3.624  1.00  0.00           C
> ATOM    544  O   ARG A  37       5.342 -17.878   3.223  1.00  0.00           O
> ATOM    545  CB  ARG A  37       8.223 -16.336   2.874  1.00  0.00           C
> ATOM    546  CG  ARG A  37       7.497 -15.597   1.763  1.00  0.00           C
> ATOM    547  CD  ARG A  37       8.312 -15.581   0.479  1.00  0.00           C
> ATOM    548  NE  ARG A  37       8.576 -16.930  -0.170  1.00  0.00           N
> ATOM    549  CZ  ARG A  37       9.347 -17.187  -1.670  1.00  0.00           C
> ATOM    550  NH1 ARG A  37       9.925 -16.194  -1.730  1.00  0.00           N
> ATOM    551  NH2 ARG A  37       9.539 -18.440  -1.458  1.00  0.00           N
> ATOM    552  H   ARG A  37       8.979 -16.609   5.320  1.00  0.00           H
> ATOM    553  HA  ARG A  37       6.631 -15.953   4.250  1.00  0.00           H
> ATOM    554  HB2 ARG A  37       8.996 -15.690   3.262  1.00  0.00           H
> ATOM    555  HB3 ARG A  37       8.680 -17.218   2.450  1.00  0.00           H
> ATOM    556  HG2 ARG A  37       6.554 -16.870   1.572  1.00  0.00           H
> ATOM    557  HG3 ARG A  37       7.317 -14.579   2.780  1.00  0.00           H
> ATOM    558  HD2 ARG A  37       7.763 -15.320  -0.273  1.00  0.00           H
> ATOM    559  HD3 ARG A  37       9.251 -15.870   0.671  1.00  0.00           H
> ATOM    560  HE  ARG A  37       8.159 -17.677   0.457  1.00  0.00           H
> ATOM    561 HH11 ARG A  37       9.782 -15.250  -1.437  1.00  0.00           H
> ATOM    562 HH12 ARG A  37      10.506 -16.392  -2.519  1.00  0.00           H
> ATOM    563 HH21 ARG A  37       9.105 -19.192  -0.962  1.00  0.00           H
> ATOM    564 HH22 ARG A  37      10.119 -18.633  -2.250  1.00  0.00           H
> ATOM    565  N   LYS A  38       7.119 -19.160   3.731  1.00  0.00           N
> ATOM    566  CA  LYS A  38       6.458 -20.410   3.380  1.00  0.00           C
> ATOM    567  C   LYS A  38       5.197 -20.614   4.216  1.00  0.00           C
> ATOM    568  O   LYS A  38       4.104 -20.783   3.677  1.00  0.00           O
> ATOM    569  CB  LYS A  38       7.411 -21.590   3.579  1.00  0.00           C
> ATOM    570  CG  LYS A  38       8.461 -21.715   2.490  1.00  0.00           C
> ATOM    571  CD  LYS A  38       9.722 -22.388   3.600  1.00  0.00           C
> ATOM    572  CE  LYS A  38       9.562 -23.899   3.690  1.00  0.00           C
> ATOM    573  NZ  LYS A  38      10.842 -24.579   3.415  1.00  0.00           N
> ATOM    574  H   LYS A  38       8.450 -19.185   4.570  1.00  0.00           H
> ATOM    575  HA  LYS A  38       6.178 -20.357   2.338  1.00  0.00           H
> ATOM    576  HB2 LYS A  38       7.916 -21.472   4.526  1.00  0.00           H
> ATOM    577  HB3 LYS A  38       6.835 -22.505   3.601  1.00  0.00           H
> ATOM    578  HG2 LYS A  38       8.600 -22.302   1.680  1.00  0.00           H
> ATOM    579  HG3 LYS A  38       8.713 -20.726   2.131  1.00  0.00           H
> ATOM    580  HD2 LYS A  38      10.543 -22.152   2.345  1.00  0.00           H
> ATOM    581  HD3 LYS A  38       9.939 -22.140   3.997  1.00  0.00           H
> ATOM    582  HE2 LYS A  38       8.824 -24.138   3.819  1.00  0.00           H
> ATOM    583  HE3 LYS A  38       9.225 -24.253   2.107  1.00  0.00           H
> ATOM    584  HZ1 LYS A  38      11.184 -24.246   4.340  1.00  0.00           H
> ATOM    585  HZ2 LYS A  38      11.562 -24.371   2.696  1.00  0.00           H
> ATOM    586  HZ3 LYS A  38      10.699 -25.607   3.460  1.00  0.00           H
> ATOM    587  N   ARG A  39       5.360 -20.594   5.534  1.00  0.00           N
> ATOM    588  CA  ARG A  39       4.236 -20.777   6.445  1.00  0.00           C
> ATOM    589  C   ARG A  39       3.203 -19.668   6.262  1.00  0.00           C
> ATOM    590  O   ARG A  39       2.160 -19.936   6.710  1.00  0.00           O
> ATOM    591  CB  ARG A  39       4.723 -20.798   7.894  1.00  0.00           C
> ATOM    592  CG  ARG A  39       5.231 -22.159   8.345  1.00  0.00           C
> ATOM    593  CD  ARG A  39       6.704 -22.341   8.120  1.00  0.00           C
> ATOM    594  NE  ARG A  39       7.107 -23.744   8.670  1.00  0.00           N
> ATOM    595  CZ  ARG A  39       8.373 -24.147   8.270  1.00  0.00           C
> ATOM    596  NH1 ARG A  39       9.352 -23.259   7.936  1.00  0.00           N
> ATOM    597  NH2 ARG A  39       8.659 -25.441   8.810  1.00  0.00           N
> ATOM    598  H   ARG A  39       6.256 -20.455   5.904  1.00  0.00           H
> ATOM    599  HA  ARG A  39       3.773 -21.725   6.216  1.00  0.00           H
> ATOM    600  HB2 ARG A  39       5.527 -20.840   8.300  1.00  0.00           H
> ATOM    601  HB3 ARG A  39       3.908 -20.510   8.541  1.00  0.00           H
> ATOM    602  HG2 ARG A  39       5.103 -22.244   9.414  1.00  0.00           H
> ATOM    603  HG3 ARG A  39       4.661 -22.929   7.848  1.00  0.00           H
> ATOM    604  HD2 ARG A  39       6.885 -21.962   7.180  1.00  0.00           H
> ATOM    605  HD3 ARG A  39       7.291 -21.780   8.723  1.00  0.00           H
> ATOM    606  HE  ARG A  39       6.399 -24.417   8.133  1.00  0.00           H
> ATOM    607 HH11 ARG A  39       9.138 -22.283   7.897  1.00  0.00           H
> ATOM    608 HH12 ARG A  39      10.303 -23.565   7.908  1.00  0.00           H
> ATOM    609 HH21 ARG A  39       7.923 -26.114   8.149  1.00  0.00           H
> ATOM    610 HH22 ARG A  39       9.612 -25.743   8.520  1.00  0.00           H
> ATOM    611  N   LEU A  40       3.661 -18.423   6.322  1.00  0.00           N
> ATOM    612  CA  LEU A  40       2.779 -17.274   6.164  1.00  0.00           C
> ATOM    613  C   LEU A  40       1.837 -17.469   4.980  1.00  0.00           C
> ATOM    614  O   LEU A  40       0.622 -17.322   5.111  1.00  0.00           O
> ATOM    615  CB  LEU A  40       3.599 -15.998   5.970  1.00  0.00           C
> ATOM    616  CG  LEU A  40       2.823 -14.682   6.440  1.00  0.00           C
> ATOM    617  CD1 LEU A  40       2.332 -14.430   7.460  1.00  0.00           C
> ATOM    618  CD2 LEU A  40       3.687 -13.524   5.564  1.00  0.00           C
> ATOM    619  H   LEU A  40       4.618 -18.272   6.478  1.00  0.00           H
> ATOM    620  HA  LEU A  40       2.190 -17.180   7.650  1.00  0.00           H
> ATOM    621  HB2 LEU A  40       4.361 -15.975   6.736  1.00  0.00           H
> ATOM    622  HB3 LEU A  40       4.700 -16.520   4.999  1.00  0.00           H
> ATOM    623  HG  LEU A  40       1.958 -14.746   5.397  1.00  0.00           H
> ATOM    624 HD11 LEU A  40       3.158 -14.517   8.149  1.00  0.00           H
> ATOM    625 HD12 LEU A  40       1.575 -15.157   7.713  1.00  0.00           H
> ATOM    626 HD13 LEU A  40       1.912 -13.437   7.525  1.00  0.00           H
> ATOM    627 HD21 LEU A  40       4.163 -13.550   6.412  1.00  0.00           H
> ATOM    628 HD22 LEU A  40       3.690 -12.802   5.510  1.00  0.00           H
> ATOM    629 HD23 LEU A  40       4.442 -13.897   4.888  1.00  0.00           H




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