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fpocket/tests/reference_output/123abc_out/pocket14_env_atm.cif
2024-03-20 10:08:35 +01:00

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data_pocket14_env_atm
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loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_asym_id
ATOM 2389 N NZ ? LYS Bxp 44 ? 17.801 61.554 36.438 -1.51 0 271 B
ATOM 2454 O O ? GLU Bxp 55 ? 11.608 61.345 33.284 -1.88 0 282 B
ATOM 2485 C CA ? GLU Bxp 59 ? 10.598 61.833 36.936 0.00 0 286 B
ATOM 2488 C CB ? GLU Bxp 59 ? 12.087 61.638 36.697 0.00 0 286 B
ATOM 2489 C CG ? GLU Bxp 59 ? 12.912 61.584 38.000 0.00 0 286 B
ATOM 2490 C CD ? GLU Bxp 59 ? 14.404 61.663 37.759 0.00 0 286 B
ATOM 2491 O OE1 ? GLU Bxp 59 ? 14.831 61.607 36.581 0.00 0 286 B
ATOM 2492 O OE2 ? GLU Bxp 59 ? 15.137 61.777 38.754 -1.07 0 286 B
ATOM 3237 C C ? ASP Bxp 154 ? 17.708 57.721 41.604 0.00 0 381 B
ATOM 3238 O O ? ASP Bxp 154 ? 17.212 58.730 41.018 -2.14 0 381 B
ATOM 3239 C CB ? ASP Bxp 154 ? 15.520 56.620 41.941 0.00 0 381 B
ATOM 3240 C CG ? ASP Bxp 154 ? 15.630 55.631 40.804 0.00 0 381 B
ATOM 3241 O OD1 ? ASP Bxp 154 ? 16.754 55.332 40.331 -1.07 0 381 B
ATOM 3242 O OD2 ? ASP Bxp 154 ? 14.601 55.095 40.376 -2.28 0 381 B
ATOM 3245 C C ? PHE Bxp 155 ? 19.859 57.712 39.087 0.00 0 382 B
ATOM 3246 O O ? PHE Bxp 155 ? 20.558 58.316 38.318 -3.21 0 382 B
ATOM 3254 N N ? GLY Bxp 156 ? 19.098 56.710 38.688 0.00 0 383 B
ATOM 3255 C CA ? GLY Bxp 156 ? 19.014 56.342 37.269 0.00 0 383 B
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