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Tiziano Gallo Cassarino authoredTiziano Gallo Cassarino authored
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