File: simple.pqr

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REMARK   1 PQR file generated by PDB2PQR (Version 1.4.0)
REMARK   1
REMARK   1 Forcefield Used: parse
REMARK   1
REMARK   5 Gap in backbone detected between LEU A 3 and MET A 255!
REMARK   5 Gap in backbone detected between MET B 1 and SER B 256!
REMARK   5
REMARK   6 Total charge on this protein: 1.0000 e
REMARK   6
ATOM      1  N   MET     1      21.600  35.300  56.700 -0.3755 2.0005
ATOM      2  CA  MET     1      20.601  35.494  57.793  0.3300 2.0000
ATOM      3  C   MET     1      19.654  34.300  57.789  0.5500 1.7000
ATOM      4  O   MET     1      18.447  34.456  57.595 -0.5500 1.4000
ATOM      5  CB  MET     1      19.789  36.783  57.639  0.0000 2.0000
ATOM      6  CG  MET     1      20.629  38.055  57.606  0.2650 2.0000
ATOM      7  SD  MET     1      21.638  38.325  59.084 -0.5300 1.8500
ATOM      8  CE  MET     1      23.233  37.697  58.529  0.2650 2.0000
ATOM      9  HE1 MET     1      23.125  37.266  57.634  0.0000 0.0000
ATOM     10  HE2 MET     1      23.881  38.455  58.461  0.0000 0.0000
ATOM     11  HE3 MET     1      23.571  37.025  59.187  0.0000 0.0000
ATOM     12  H2  MET     1      22.177  34.580  56.869  0.3300 0.0000
ATOM     13  H3  MET     1      21.135  35.294  55.831  0.3300 0.0000
ATOM     14  HG2 MET     1      21.223  38.027  56.761  0.0000 0.0000
ATOM     15  HG3 MET     1      19.996  38.856  57.448  0.0000 0.0000
ATOM     16  H   MET     1      22.175  36.206  56.703  0.3300 0.0000
ATOM     17  HA  MET     1      21.099  35.502  58.665  0.0000 0.0000
ATOM     18  HB3 MET     1      19.138  36.853  58.408  0.0000 0.0000
ATOM     19  HB2 MET     1      19.255  36.733  56.783  0.0000 0.0000
ATOM     20  N   ARG     2      20.202  33.112  58.011 -0.4000 1.5000
ATOM     21  CA  ARG     2      19.396  31.903  58.033 -0.0000 2.0000
ATOM     22  C   ARG     2      18.608  31.739  59.328  0.5500 1.7000
ATOM     23  O   ARG     2      17.651  30.965  59.381 -0.5500 1.4000
ATOM     24  CB  ARG     2      20.284  30.681  57.801  0.0000 2.0000
ATOM     25  CG  ARG     2      20.665  30.488  56.342  0.0000 2.0000
ATOM     26  CD  ARG     2      21.557  29.281  56.154  0.3500 2.0000
ATOM     27  NE  ARG     2      22.931  29.557  56.551 -0.3500 1.5000
ATOM     28  CZ  ARG     2      23.900  28.700  56.500  0.2507 1.7503
ATOM     29  NH1 ARG     2      23.640  27.417  56.130 -0.7000 1.5000
ATOM     30  NH2 ARG     2      25.132  28.980  56.893 -0.7000 1.5000
ATOM     31  HG3 ARG     2      21.156  31.294  56.019  0.0000 0.0000
ATOM     32  HA  ARG     2      18.738  31.934  57.260  0.0000 0.0000
ATOM     33  HE  ARG     2      23.157  30.486  56.860  0.4500 1.0000
ATOM     34  HG2 ARG     2      19.838  30.356  55.799  0.0000 0.0000
ATOM     35 HH22 ARG     2      25.859  28.300  56.895  0.4000 1.0000
ATOM     36 HH21 ARG     2      25.336  29.925  57.170  0.4000 1.0000
ATOM     37  H   ARG     2      21.227  33.124  58.163  0.4000 1.0000
ATOM     38  HD3 ARG     2      21.537  29.027  55.190  0.0000 0.0000
ATOM     39  HD2 ARG     2      21.197  28.537  56.711  0.0000 0.0000
ATOM     40 HH12 ARG     2      24.383  26.727  56.133  0.4000 1.0000
ATOM     41 HH11 ARG     2      22.728  27.161  55.829  0.4000 1.0000
ATOM     42  HB3 ARG     2      19.790  29.875  58.100  0.0000 0.0000
ATOM     43  HB2 ARG     2      21.118  30.797  58.325  0.0000 0.0000
ATOM     44  N   LEU     3      19.003  32.473  60.366 -0.4000 1.5000
ATOM     45  CA  LEU     3      18.330  32.402  61.664 -0.0000 2.0000
ATOM     46  C   LEU     3      17.884  33.787  62.117  0.5500 1.7000
ATOM     47  O   LEU     3      17.853  34.091  63.308 -0.5500 1.4000
ATOM     48  CB  LEU     3      19.269  31.793  62.710  0.0000 2.0000
ATOM     49  CG  LEU     3      19.695  30.340  62.501  0.0000 2.0000
ATOM     50  CD1 LEU     3      20.585  29.897  63.648  0.0000 2.0000
ATOM     51  CD2 LEU     3      18.461  29.459  62.420  0.0000 2.0000
ATOM     52 HD22 LEU     3      17.888  29.751  61.653  0.0000 0.0000
ATOM     53 HD23 LEU     3      18.736  28.507  62.283  0.0000 0.0000
ATOM     54 HD21 LEU     3      17.938  29.533  63.270  0.0000 0.0000
ATOM     55  H   LEU     3      19.817  33.091  60.179  0.4000 1.0000
ATOM     56 HD13 LEU     3      20.084  29.973  64.512  0.0000 0.0000
ATOM     57 HD12 LEU     3      20.863  28.945  63.510  0.0000 0.0000
ATOM     58 HD11 LEU     3      21.400  30.478  63.686  0.0000 0.0000
ATOM     59  HA  LEU     3      17.516  31.820  61.570  0.0000 0.0000
ATOM     60  HG  LEU     3      20.197  30.269  61.643  0.0000 0.0000
ATOM     61  HB3 LEU     3      18.811  31.845  63.597  0.0000 0.0000
ATOM     62  HB2 LEU     3      20.102  32.347  62.730  0.0000 0.0000
ATOM     63  N   MET   255      29.709   5.069  60.642 -0.4000 1.5000
ATOM     64  CA  MET   255      28.701   5.164  59.592 -0.0000 2.0000
ATOM     65  C   MET   255      27.302   4.748  60.005  0.5500 1.7000
ATOM     66  O   MET   255      27.057   3.586  60.326 -0.5500 1.4000
ATOM     67  CB  MET   255      29.146   4.331  58.399  0.0000 2.0000
ATOM     68  CG  MET   255      30.558   4.642  57.948  0.2650 2.0000
ATOM     69  SD  MET   255      31.116   3.394  56.790 -0.5300 1.8500
ATOM     70  CE  MET   255      31.526   2.062  57.912  0.2650 2.0000
ATOM     71  HG2 MET   255      30.571   5.563  57.524  0.0000 0.0000
ATOM     72  HE1 MET   255      32.437   1.708  57.695  0.0000 0.0000
ATOM     73  HE2 MET   255      31.518   2.401  58.854  0.0000 0.0000
ATOM     74  HE3 MET   255      30.854   1.325  57.820  0.0000 0.0000
ATOM     75  HB2 MET   255      29.096   3.355  58.642  0.0000 0.0000
ATOM     76  HG3 MET   255      31.163   4.679  58.762  0.0000 0.0000
ATOM     77  H   MET   255      26.414  14.773  61.903  0.4000 1.0000
ATOM     78  HA  MET   255      28.661   6.140  59.286  0.0000 0.0000
ATOM     79  HB3 MET   255      28.520   4.500  57.628  0.0000 0.0000
ATOM     80  N   SER   256      26.376   5.699  59.965 -0.4000 1.5000
ATOM     81  CA  SER   256      24.998   5.430  60.347 -0.0000 2.0000
ATOM     82  C   SER   256      24.040   5.839  59.231  0.1000 1.7000
ATOM     83  O   SER   256      24.543   6.294  58.186 -0.5500 1.4000
ATOM     84  CB  SER   256      24.664   6.188  61.642  0.0000 2.0000
ATOM     85  OG  SER   256      25.569   5.836  62.681 -0.4900 1.4000
ATOM     86  OXT SER   256      22.811   5.701  59.408 -0.5500 1.4000
ATOM     87  H   SER   256      26.714   6.626  59.646  0.4000 1.0000
ATOM     88  HA  SER   256      24.898   4.440  60.490  0.0000 0.0000
ATOM     89  HB3 SER   256      23.741   5.949  61.922  0.0000 0.0000
ATOM     90  HB2 SER   256      24.734   7.163  61.468  0.0000 0.0000
ATOM     91  HG  SER   256      26.464   6.235  62.490  0.4900 1.0000