File: example.pqr

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REMARK   1 PQR file generated by PDB2PQR (Version 1.8)
REMARK   1
REMARK   1 Forcefield Used: AMBER
REMARK   1
REMARK   5
REMARK   6 Total charge on this protein: 1.0000 e
REMARK   6
ATOM      1  N   ASP   242      42.350  51.100  25.530  0.0782 1.8240
ATOM      2  CA  ASP   242      42.830  52.400  25.110  0.0292 1.9080
ATOM      3  C   ASP   242      41.710  53.070  24.300  0.5621 1.9080
ATOM      4  O   ASP   242      40.590  52.560  24.200 -0.5889 1.6612
ATOM      5  CB  ASP   242      44.170  52.240  24.350 -0.0235 1.9080
ATOM      6  CG  ASP   242      44.190  51.410  23.060  0.8194 1.9080
ATOM      7  OD1 ASP   242      45.240  51.080  22.600 -0.8084 1.6612
ATOM      8  OD2 ASP   242      43.060  51.260  22.440 -0.8084 1.6612
ATOM      9  H   ASP   242      41.780  50.630  24.840  0.2200 0.6000
ATOM     10  H2  ASP   242      43.085  50.441  25.745  0.2200 0.6000
ATOM     11  H3  ASP   242      41.776  51.123  26.362  0.2200 0.6000
ATOM     12  HA  ASP   242      42.963  52.954  25.925  0.1141 1.1000
ATOM     13  HB3 ASP   242      44.837  51.832  24.998 -0.0169 1.4870
ATOM     14  HB2 ASP   242      44.504  53.174  24.129 -0.0169 1.4870
ATOM     15  N   SER   243      42.040  54.200  23.670 -0.4157 1.8240
ATOM     16  CA  SER   243      41.170  54.930  22.750 -0.0249 1.9080
ATOM     17  C   SER   243      40.720  54.090  21.560  0.5973 1.9080
ATOM     18  O   SER   243      39.590  54.240  21.100 -0.5679 1.6612
ATOM     19  CB  SER   243      41.940  56.150  22.200  0.2117 1.9080
ATOM     20  OG  SER   243      42.190  57.160  23.160 -0.6546 1.7210
ATOM     21  H   SER   243      42.970  54.560  23.820  0.2719 0.6000
ATOM     22  HA  SER   243      40.341  55.211  23.263  0.0843 1.3870
ATOM     23  HB3 SER   243      41.404  56.544  21.443  0.0352 1.3870
ATOM     24  HB2 SER   243      42.819  55.826  21.830  0.0352 1.3870
ATOM     25  HG  SER   243      41.735  56.925  24.018  0.4275 0.0000
ATOM     26  N   LYS   244      41.590  53.190  21.070 -0.3479 1.8240
ATOM     27  CA  LYS   244      41.290  52.330  19.950 -0.2400 1.9080
ATOM     28  C   LYS   244      40.230  51.290  20.350  0.7341 1.9080
ATOM     29  O   LYS   244      39.300  51.060  19.580 -0.5894 1.6612
ATOM     30  CB  LYS   244      42.540  51.610  19.410 -0.0094 1.9080
ATOM     31  CG  LYS   244      42.390  51.240  17.920  0.0187 1.9080
ATOM     32  CD  LYS   244      43.490  50.400  17.340 -0.0479 1.9080
ATOM     33  CE  LYS   244      43.120  49.890  15.940 -0.0143 1.9080
ATOM     34  NZ  LYS   244      44.330  49.800  15.120 -0.3854 1.8240
ATOM     35  H   LYS   244      42.410  52.930  21.620  0.2747 0.6000
ATOM     36  HZ1 LYS   244      44.080  49.430  14.200  0.3400 0.6000
ATOM     37  HZ2 LYS   244      44.700  50.730  15.030  0.3400 0.6000
ATOM     38  HZ3 LYS   244      44.990  49.190  15.580  0.3400 0.6000
ATOM     39  HA  LYS   244      40.920  52.878  19.194  0.1426 1.3870
ATOM     40  HE2 LYS   244      42.701  48.993  16.035  0.1135 1.1000
ATOM     41  HE3 LYS   244      42.476  50.530  15.534  0.1135 1.1000
ATOM     42  HG2 LYS   244      41.501  50.754  17.809  0.0103 1.4870
ATOM     43  HG3 LYS   244      42.313  52.107  17.390  0.0103 1.4870
ATOM     44  HD3 LYS   244      43.650  49.609  17.921  0.0621 1.4870
ATOM     45  HD2 LYS   244      44.319  50.944  17.258  0.0621 1.4870
ATOM     46  HB3 LYS   244      42.666  50.777  19.922  0.0362 1.4870
ATOM     47  HB2 LYS   244      43.312  52.215  19.499  0.0362 1.4870
ATOM     48  N   PHE   245      40.360  50.690  21.540 -0.4157 1.8240
ATOM     49  CA  PHE   245      39.410  49.740  22.120 -0.0024 1.9080
ATOM     50  C   PHE   245      37.990  50.320  22.170  0.5973 1.9080
ATOM     51  O   PHE   245      37.060  49.700  21.660 -0.5679 1.6612
ATOM     52  CB  PHE   245      39.890  49.270  23.510 -0.0343 1.9080
ATOM     53  CG  PHE   245      39.000  48.260  24.210  0.0118 1.9080
ATOM     54  CD1 PHE   245      37.970  48.690  25.070 -0.1256 1.9080
ATOM     55  CD2 PHE   245      39.150  46.890  23.950 -0.1256 1.9080
ATOM     56  CE1 PHE   245      37.080  47.750  25.630 -0.1704 1.9080
ATOM     57  CE2 PHE   245      38.260  45.950  24.510 -0.1704 1.9080
ATOM     58  CZ  PHE   245      37.210  46.390  25.340 -0.1072 1.9080
ATOM     59  H   PHE   245      41.200  50.940  22.080  0.2719 0.6000
ATOM     60  HZ  PHE   245      36.565  45.734  25.716  0.1297 1.4590
ATOM     61  HA  PHE   245      39.374  48.945  21.502  0.0978 1.3870
ATOM     62  HE1 PHE   245      36.351  48.074  26.242  0.1430 1.4590
ATOM     63  HE2 PHE   245      38.380  44.972  24.315  0.1430 1.4590
ATOM     64  HD2 PHE   245      39.889  46.575  23.365  0.1330 1.4590
ATOM     65  HD1 PHE   245      37.866  49.645  25.282  0.1330 1.4590
ATOM     66  HB3 PHE   245      39.953  50.073  24.093  0.0295 1.4870
ATOM     67  HB2 PHE   245      40.786  48.855  23.393  0.0295 1.4870
ATOM     68  N   TYR   246      37.830  51.530  22.730 -0.4157 1.8240
ATOM     69  CA  TYR   246      36.530  52.190  22.880 -0.0014 1.9080
ATOM     70  C   TYR   246      35.830  52.470  21.570  0.5973 1.9080
ATOM     71  O   TYR   246      34.630  52.270  21.440 -0.5679 1.6612
ATOM     72  CB  TYR   246      36.660  53.520  23.630 -0.0152 1.9080
ATOM     73  CG  TYR   246      37.020  53.340  25.080 -0.0011 1.9080
ATOM     74  CD1 TYR   246      38.220  53.820  25.620 -0.1906 1.9080
ATOM     75  CD2 TYR   246      36.170  52.550  25.860 -0.1906 1.9080
ATOM     76  CE1 TYR   246      38.570  53.510  26.950 -0.2341 1.9080
ATOM     77  CE2 TYR   246      36.580  52.140  27.130 -0.2341 1.9080
ATOM     78  CZ  TYR   246      37.750  52.660  27.700  0.3226 1.9080
ATOM     79  OH  TYR   246      38.070  52.380  28.990 -0.5579 1.7210
ATOM     80  H   TYR   246      38.650  51.970  23.120  0.2719 0.6000
ATOM     81  HA  TYR   246      35.935  51.578  23.437  0.0876 1.3870
ATOM     82  HE1 TYR   246      39.395  53.896  27.350  0.1656 1.4590
ATOM     83  HE2 TYR   246      36.038  51.470  27.640  0.1656 1.4590
ATOM     84  HD2 TYR   246      35.285  52.284  25.516  0.1699 1.4590
ATOM     85  HD1 TYR   246      38.828  54.377  25.073  0.1699 1.4590
ATOM     86  HB3 TYR   246      35.787  53.991  23.578  0.0295 1.4870
ATOM     87  HB2 TYR   246      37.372  54.055  23.191  0.0295 1.4870
ATOM     88  HH  TYR   246      37.550  51.583  29.300  0.3992 0.0000
ATOM     89  N   LYS   247      36.610  52.950  20.600 -0.3479 1.8240
ATOM     90  CA  LYS   247      36.160  53.180  19.240 -0.2400 1.9080
ATOM     91  C   LYS   247      35.730  51.860  18.580  0.7341 1.9080
ATOM     92  O   LYS   247      34.680  51.830  17.950 -0.5894 1.6612
ATOM     93  CB  LYS   247      37.320  53.840  18.480 -0.0094 1.9080
ATOM     94  CG  LYS   247      36.960  54.230  17.040  0.0187 1.9080
ATOM     95  CD  LYS   247      38.130  54.420  16.100 -0.0479 1.9080
ATOM     96  CE  LYS   247      37.930  55.430  14.990 -0.0143 1.9080
ATOM     97  NZ  LYS   247      39.250  55.980  14.710 -0.3854 1.8240
ATOM     98  H   LYS   247      37.600  53.070  20.800  0.2747 0.6000
ATOM     99  HZ1 LYS   247      39.130  56.780  14.100  0.3400 0.6000
ATOM    100  HZ2 LYS   247      39.670  56.310  15.560  0.3400 0.6000
ATOM    101  HZ3 LYS   247      39.810  55.280  14.230  0.3400 0.6000
ATOM    102  HA  LYS   247      35.367  53.799  19.252  0.1426 1.3870
ATOM    103  HE2 LYS   247      37.577  54.967  14.197  0.1135 1.1000
ATOM    104  HE3 LYS   247      37.325  56.138  15.307  0.1135 1.1000
ATOM    105  HG2 LYS   247      36.347  53.511  16.661  0.0103 1.4870
ATOM    106  HG3 LYS   247      36.418  55.091  17.070  0.0103 1.4870
ATOM    107  HD3 LYS   247      38.354  53.525  15.677  0.0621 1.4870
ATOM    108  HD2 LYS   247      38.939  54.703  16.645  0.0621 1.4870
ATOM    109  HB3 LYS   247      38.077  53.197  18.447  0.0362 1.4870
ATOM    110  HB2 LYS   247      37.584  54.664  18.967  0.0362 1.4870
ATOM    111  N   MET   248      36.520  50.780  18.730 -0.4157 1.8240
ATOM    112  CA  MET   248      36.250  49.500  18.090 -0.0237 1.9080
ATOM    113  C   MET   248      35.000  48.820  18.650  0.5973 1.9080
ATOM    114  O   MET   248      34.180  48.320  17.880 -0.5679 1.6612
ATOM    115  CB  MET   248      37.470  48.570  18.200  0.0342 1.9080
ATOM    116  CG  MET   248      38.530  48.940  17.150  0.0018 1.9080
ATOM    117  SD  MET   248      39.970  47.840  17.070 -0.2737 2.0000
ATOM    118  CE  MET   248      40.700  48.070  18.700 -0.0536 1.9080
ATOM    119  H   MET   248      37.370  50.870  19.270  0.2719 0.6000
ATOM    120  HG2 MET   248      38.058  48.990  16.228  0.0440 1.3870
ATOM    121  HE1 MET   248      40.353  48.917  19.102  0.0684 1.3870
ATOM    122  HE2 MET   248      40.455  47.297  19.284  0.0684 1.3870
ATOM    123  HE3 MET   248      41.694  48.123  18.613  0.0684 1.3870
ATOM    124  HB2 MET   248      37.874  48.666  19.100  0.0241 1.4870
ATOM    125  HG3 MET   248      38.827  49.917  17.330  0.0440 1.3870
ATOM    126  HA  MET   248      36.095  49.666  17.104  0.0880 1.3870
ATOM    127  HB3 MET   248      37.183  47.634  18.039  0.0241 1.4870
ATOM    128  N   ILE   249      34.810  48.820  19.980 -0.4157 1.8240
ATOM    129  CA  ILE   249      33.580  48.310  20.590 -0.0597 1.9080
ATOM    130  C   ILE   249      32.340  49.080  20.080  0.5973 1.9080
ATOM    131  O   ILE   249      31.320  48.450  19.790 -0.5679 1.6612
ATOM    132  CB  ILE   249      33.700  48.290  22.140  0.1303 1.9080
ATOM    133  CG1 ILE   249      34.830  47.350  22.620 -0.0430 1.9080
ATOM    134  CG2 ILE   249      32.400  47.900  22.880 -0.3204 1.9080
ATOM    135  CD1 ILE   249      34.600  45.870  22.320 -0.0660 1.9080
ATOM    136  H   ILE   249      35.510  49.240  20.570  0.2719 0.6000
ATOM    137  HA  ILE   249      33.473  47.365  20.269  0.0869 1.3870
ATOM    138 HG22 ILE   249      32.553  48.006  23.857  0.0882 1.4870
ATOM    139 HG21 ILE   249      31.673  48.504  22.572  0.0882 1.4870
ATOM    140  HB  ILE   249      33.924  49.214  22.440  0.0187 1.4870
ATOM    141 HG12 ILE   249      35.682  47.639  22.184  0.0236 1.4870
ATOM    142 HG13 ILE   249      34.926  47.463  23.609  0.0236 1.4870
ATOM    143 HD13 ILE   249      34.517  45.748  21.334  0.0186 1.4870
ATOM    144 HD12 ILE   249      35.375  45.346  22.664  0.0186 1.4870
ATOM    145 HG23 ILE   249      32.187  46.954  22.659  0.0882 1.4870
ATOM    146 HD11 ILE   249      33.762  45.574  22.771  0.0186 1.4870
ATOM    147  N   LYS   250      32.480  50.410  19.900 -0.3479 1.8240
ATOM    148  CA  LYS   250      31.420  51.300  19.430 -0.2400 1.9080
ATOM    149  C   LYS   250      31.170  51.110  17.930  0.7341 1.9080
ATOM    150  O   LYS   250      30.030  51.180  17.490 -0.5894 1.6612
ATOM    151  CB  LYS   250      31.830  52.770  19.720 -0.0094 1.9080
ATOM    152  CG  LYS   250      30.640  53.730  19.880  0.0187 1.9080
ATOM    153  CD  LYS   250      31.070  55.090  20.430 -0.0479 1.9080
ATOM    154  CE  LYS   250      30.020  56.190  20.240 -0.0143 1.9080
ATOM    155  NZ  LYS   250      30.520  57.250  19.340 -0.3854 1.8240
ATOM    156  H   LYS   250      33.340  50.840  20.210  0.2747 0.6000
ATOM    157  HZ1 LYS   250      29.770  57.870  19.090  0.3400 0.6000
ATOM    158  HZ2 LYS   250      31.280  57.770  19.750  0.3400 0.6000
ATOM    159  HZ3 LYS   250      30.830  56.820  18.480  0.3400 0.6000
ATOM    160  HA  LYS   250      30.570  51.087  19.925  0.1426 1.3870
ATOM    161  HE2 LYS   250      29.196  55.778  19.851  0.1135 1.1000
ATOM    162  HE3 LYS   250      29.805  56.581  21.135  0.1135 1.1000
ATOM    163  HG2 LYS   250      30.213  53.863  18.986  0.0103 1.4870
ATOM    164  HG3 LYS   250      29.979  53.321  20.508  0.0103 1.4870
ATOM    165  HD3 LYS   250      31.910  55.375  19.964  0.0621 1.4870
ATOM    166  HD2 LYS   250      31.252  54.997  21.411  0.0621 1.4870
ATOM    167  HB3 LYS   250      32.388  53.087  18.960  0.0362 1.4870
ATOM    168  HB2 LYS   250      32.355  52.780  20.563  0.0362 1.4870
ATOM    169  N   GLU   251      32.210  50.800  17.150 -0.5163 1.8240
ATOM    170  CA  GLU   251      32.100  50.440  15.740  0.0397 1.9080
ATOM    171  C   GLU   251      31.330  49.130  15.560  0.5366 1.9080
ATOM    172  O   GLU   251      30.610  48.990  14.570 -0.5819 1.6612
ATOM    173  CB  GLU   251      33.500  50.240  15.130  0.0560 1.9080
ATOM    174  CG  GLU   251      34.040  51.460  14.380  0.0136 1.9080
ATOM    175  CD  GLU   251      35.570  51.480  14.240  0.8054 1.9080
ATOM    176  OE1 GLU   251      36.280  50.790  15.010 -0.8188 1.6612
ATOM    177  OE2 GLU   251      36.070  52.130  13.320 -0.8188 1.6612
ATOM    178  H   GLU   251      33.140  50.810  17.560  0.2936 0.6000
ATOM    179  HG2 GLU   251      33.665  51.454  13.470 -0.0425 1.4870
ATOM    180  HA  GLU   251      31.628  51.175  15.237  0.1105 1.3870
ATOM    181  HG3 GLU   251      33.783  52.269  14.879 -0.0425 1.4870
ATOM    182  HB3 GLU   251      33.442  49.499  14.488 -0.0173 1.4870
ATOM    183  HB2 GLU   251      34.121  50.047  15.868 -0.0173 1.4870
ATOM    184  N   GLY   252      31.460  48.210  16.510 -0.3821 1.8240
ATOM    185  CA  GLY   252      30.820  46.910  16.440 -0.2493 1.9080
ATOM    186  C   GLY   252      31.770  45.740  16.580  0.7231 1.9080
ATOM    187  O   GLY   252      31.320  44.610  16.440 -0.7855 1.6612
ATOM    188  H   GLY   252      32.020  48.450  17.310  0.2681 0.6000
ATOM    189  OXT GLY   252      32.964  45.701  16.819 -0.7855 1.6612
ATOM    190  HA2 GLY   252      30.105  46.849  17.169  0.1056 1.3870
ATOM    191  HA3 GLY   252      30.320  46.830  15.551  0.1056 1.3870
TER
END