Files
fpocket/tests/reference_output/123abc_out/pocket45_env_atm.cif
2024-03-20 10:08:35 +01:00

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data_pocket45_env_atm
#
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 5895 C CA ? ASP Cxp 228 ? 26.647 52.457 19.266 0.00 0 455 C
ATOM 5896 C C ? ASP Cxp 228 ? 27.334 51.195 19.832 0.00 0 455 C
ATOM 5897 O O ? ASP Cxp 228 ? 27.520 51.100 21.048 -4.29 0 455 C
ATOM 5898 C CB ? ASP Cxp 228 ? 25.435 52.789 20.167 0.00 0 455 C
ATOM 5899 C CG ? ASP Cxp 228 ? 24.873 54.149 19.905 0.00 0 455 C
ATOM 5900 O OD1 ? ASP Cxp 228 ? 25.663 55.032 19.468 -4.43 0 455 C
ATOM 5901 O OD2 ? ASP Cxp 228 ? 23.644 54.346 20.153 -2.28 0 455 C
ATOM 5919 C CG ? ARG Cxp 230 ? 31.165 51.942 22.165 0.00 0 457 C
ATOM 5920 C CD ? ARG Cxp 230 ? 32.077 52.455 21.053 0.00 0 457 C
ATOM 5921 N NE ? ARG Cxp 230 ? 31.782 53.819 20.650 0.00 0 457 C
ATOM 5922 C CZ ? ARG Cxp 230 ? 30.891 54.164 19.712 0.00 0 457 C
ATOM 5923 N NH1 ? ARG Cxp 230 ? 30.178 53.230 19.103 0.00 0 457 C
ATOM 5924 N NH2 ? ARG Cxp 230 ? 30.697 55.437 19.403 -1.51 0 457 C
ATOM 6038 C CA ? ARG Cxp 246 ? 34.516 54.928 26.303 0.00 0 473 C
ATOM 6039 C C ? ARG Cxp 246 ? 34.420 56.375 25.966 0.00 0 473 C
ATOM 6040 O O ? ARG Cxp 246 ? 33.857 56.728 24.949 -1.07 0 473 C
ATOM 6041 C CB ? ARG Cxp 246 ? 33.428 54.604 27.314 0.00 0 473 C
ATOM 6043 C CD ? ARG Cxp 246 ? 32.720 52.585 26.161 0.00 0 473 C
ATOM 6044 N NE ? ARG Cxp 246 ? 31.783 51.488 26.363 0.00 0 473 C
ATOM 6045 C CZ ? ARG Cxp 246 ? 30.460 51.606 26.387 0.00 0 473 C
ATOM 6046 N NH1 ? ARG Cxp 246 ? 29.870 52.767 26.185 0.00 0 473 C
ATOM 6061 C C ? TRP Cxp 249 ? 33.715 57.072 21.511 0.00 0 476 C
ATOM 6062 O O ? TRP Cxp 249 ? 32.766 56.467 20.988 0.00 0 476 C
ATOM 6063 C CB ? TRP Cxp 249 ? 34.935 54.880 21.786 0.00 0 476 C
ATOM 6073 N N ? GLN Cxp 250 ? 33.578 58.306 22.016 0.00 0 477 C
ATOM 6074 C CA ? GLN Cxp 250 ? 32.379 59.113 21.742 0.00 0 477 C
ATOM 6075 C C ? GLN Cxp 250 ? 32.267 59.313 20.253 0.00 0 477 C
ATOM 6077 C CB ? GLN Cxp 250 ? 32.446 60.499 22.399 0.00 0 477 C
ATOM 6079 C CD ? GLN Cxp 250 ? 30.937 59.813 24.310 0.00 0 477 C
ATOM 6080 O OE1 ? GLN Cxp 250 ? 29.834 60.326 24.154 0.00 0 477 C
ATOM 6081 N NE2 ? GLN Cxp 250 ? 31.091 58.611 24.841 0.00 0 477 C
ATOM 6082 N N ? TRP Cxp 251 ? 31.055 59.150 19.729 -5.47 0 478 C
ATOM 6083 C CA ? TRP Cxp 251 ? 30.842 59.327 18.303 0.00 0 478 C
ATOM 6086 C CB ? TRP Cxp 251 ? 29.388 59.027 17.928 0.00 0 478 C
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