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sample_noligands.pdb 4.94 KiB
HETATM    1  N   MSE A   1      16.152  35.832  19.337  1.00 68.79           N
ANISOU    1  N   MSE A   1     9680   7396   9061   1038   -716    -25       N
HETATM    2  CA  MSE A   1      16.961  36.379  20.419  1.00 66.57           C
ANISOU    2  CA  MSE A   1     9387   7212   8694   1121   -806     40       C
HETATM    3  C   MSE A   1      18.345  36.796  19.931  1.00 62.52           C
ANISOU    3  C   MSE A   1     8685   6846   8225   1266   -870   -107       C
HETATM    4  O   MSE A   1      19.030  36.049  19.227  1.00 60.36           O
ANISOU    4  O   MSE A   1     8358   6511   8064   1396   -922   -219       O
HETATM    5  CB  MSE A   1      17.100  35.372  21.563  1.00 69.52           C
ANISOU    5  CB  MSE A   1     9961   7405   9049   1204   -927    192       C
HETATM    6  CG  MSE A   1      17.608  35.983  22.861  1.00 69.50           C
ANISOU    6  CG  MSE A   1     9977   7515   8914   1239  -1006    292       C
HETATM    7 SE   MSE A   1      16.174  36.321  24.145  0.70149.62          SE
ANISOU    7 SE   MSE A   1    20306  17658  18883   1013   -917    492      SE
HETATM    8  CE  MSE A   1      16.439  38.231  24.424  1.00101.32           C
ANISOU    8  CE  MSE A   1    13992  11855  12651    950   -853    413       C
ATOM      9  N   GLY A   2      21.960  55.913  14.093  1.00 32.26           N
ANISOU    9  N   GLY A   2     3786   4717   3755   -417   -110   -697       N
ATOM     10  CA  GLY A   2      21.067  57.037  14.316  1.00 33.47           C
ANISOU   10  CA  GLY A   2     4071   4728   3919   -478    -95   -611       C
ATOM     11  C   GLY A   2      20.632  57.066  15.769  1.00 28.81           C
ANISOU   11  C   GLY A   2     3536   4062   3349   -382   -126   -599       C
ATOM     12  O   GLY A   2      19.474  57.360  16.089  1.00 26.62           O
ANISOU   12  O   GLY A   2     3358   3653   3104   -343   -120   -528       O
HETATM  694  N   MLY A   3      26.382  48.690   2.460  1.00 30.43           N
ANISOU  694  N   MLY A   3     2388   5919   3254   -646    317  -1852       N
HETATM  695  CA  MLY A   3      27.776  48.333   2.142  1.00 32.62           C
ANISOU  695  CA  MLY A   3     2438   6444   3514   -645    358  -2093       C
HETATM  696  CB  MLY A   3      28.523  49.535   1.556  1.00 34.25           C
ANISOU  696  CB  MLY A   3     2578   6874   3563   -918    442  -2107       C
HETATM  697  CG  MLY A   3      28.053  50.058   0.208  1.00 51.47           C
ANISOU  697  CG  MLY A   3     4819   9152   5586  -1157    527  -2046       C
HETATM  698  CD  MLY A   3      29.170  50.911  -0.420  1.00 65.96           C
ANISOU  698  CD  MLY A   3     6527  11268   7265  -1416    622  -2140       C
HETATM  699  CE  MLY A   3      28.648  51.881  -1.478  1.00 78.91           C
ANISOU  699  CE  MLY A   3     8300  12955   8728  -1697    684  -1985       C
HETATM  700  NZ  MLY A   3      27.996  53.093  -0.885  1.00 83.04           N
ANISOU  700  NZ  MLY A   3     9040  13267   9244  -1780    633  -1724       N
HETATM  701  CH1 MLY A   3      27.490  53.898  -2.008  1.00 82.17           C
ANISOU  701  CH1 MLY A   3     9059  13197   8964  -2028    679  -1578       C
HETATM  702  CH2 MLY A   3      29.059  53.885  -0.248  1.00 83.95           C
ANISOU  702  CH2 MLY A   3     9084  13473   9342  -1885    652  -1769       C
HETATM  703  C   MLY A   3      28.551  47.875   3.386  1.00 35.38           C
ANISOU  703  C   MLY A   3     2698   6760   3986   -436    275  -2175       C
HETATM  704  O   MLY A   3      29.262  46.867   3.369  1.00 36.09           O
ANISOU  704  O   MLY A   3     2632   6928   4151   -274    255  -2373       O
HETATM   24  N   DHA A   4      26.289  27.329   2.438  1.00 21.02           N
HETATM   25  CA  DHA A   4      26.295  27.688   3.823  1.00 20.17           C
HETATM   26  CB  DHA A   4      27.128  28.481   4.578  1.00 25.40           C
HETATM   27  C   DHA A   4      25.128  27.215   4.536  1.00 14.98           C
HETATM   28  O   DHA A   4      24.918  27.318   5.770  1.00 15.17           O
ATOM   1454  N   CYS A   5      35.381  45.298  39.476  1.00 31.23           N
ATOM   1455  CA  CYS A   5      35.559  43.873  39.703  1.00 26.90           C
ATOM   1456  C   CYS A   5      34.291  43.354  40.319  1.00 28.31           C
ATOM   1457  OXT CYS A   5      33.569  44.119  40.933  1.00 32.71           O
ATOM   1458  CB  CYS A   5      36.760  43.592  40.596  1.00 27.44           C
ATOM   1460  H   CYS A   5      34.717  45.766  40.024  1.00  0.00           H
HETATM 1345  N   DAL A   6      16.130  53.915  24.417  1.00  8.63           N
HETATM 1346  CA  DAL A   6      16.958  55.083  24.235  1.00 24.17           C
HETATM 1347  CB  DAL A   6      16.321  56.394  24.733  1.00 30.20           C
HETATM 1348  C   DAL A   6      17.335  55.218  22.790  1.00 32.54           C
HETATM 1349  O   DAL A   6      16.693  54.552  21.946  1.00 27.41           O
HETATM 1350  OXT DAL A   6      18.286  55.960  22.546  1.00 18.81           O
HETATM   36  O   HOH A  19       0.180  48.781   4.764  1.00 23.28           O
END