File: non_canon_atom.cif

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data_model
#
_exptl.method 'model, MODELLER Version 9.24 2020/08/21 11:54:31'
#
_modeller.version 9.24
#
loop_
_entity.id
_entity.type
1 polymer
2 non-polymer
3 non-polymer
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 ?
B 2 ?
C 2 ?
D 3 ?
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
1 1 VAL
1 2 GLY
1 3 GLN
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 ? ZN
3 ? invalid-comp-name
#
loop_
_atom_site.group_PDB
_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.auth_asym_id
_atom_site.label_seq_id
_atom_site.auth_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.B_iso_or_equiv
_atom_site.label_entity_id
_atom_site.id
_atom_site.pdbx_PDB_model_num
ATOM   C  bad1 . VAL A A 1 2 ? 114.370 27.980 -26.088 1.000 143.490 1 1 1
ATOM   C  bad2 . VAL A A 1 2 ? 114.370 27.980 -26.088 1.000 143.490 1 2 1
ATOM   C  CA   . GLY A A 2 3 ? 111.506 26.368 -28.075 1.000 137.530 1 3 1
ATOM   C  bad3 . GLN A A 3 4 ? 113.468 23.113 -28.639 1.000 128.420 1 4 1
HETATM ZN ZN   . ZN  B A . 5 ? 113.808 21.534 -32.168 1.000 117.620 2 5 1
HETATM ZN bad4 . ZN  C A . 6 ? 113.808 21.534 -32.168 1.000 117.620 2 6 1
HETATM ZN ZN   . invalid-comp-name D A . 7 ? 113.808 21.534 -32.168 3.000 117.620 3 7 1