data_MD_SNFG
#
_pdbx_database_status.entry_id MD_SNFG
_pdbx_database_status.status_code .
_pdbx_database_status.status_code_sf ?
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.status_code_cs ?
_pdbx_database_status.recvd_initial_deposition_date ?
_pdbx_database_status.status_code_nmr_data ?
_pdbx_database_status.deposit_site ?
_pdbx_database_status.process_site ?
_pdbx_database_status.SG_entry ?
_pdbx_database_status.pdb_format_compatible Y
_pdbx_database_status.methods_development_category ?
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.pdbx_ec
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.details
1 branched man "beta-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose" 707.630 1 ? ? ? ?
2 non-polymer syn ? ? 1 ? ? ? ?
#
_pdbx_nonpoly_scheme.asym_id B
_pdbx_nonpoly_scheme.entity_id 2
_pdbx_nonpoly_scheme.mon_id ROH
_pdbx_nonpoly_scheme.ndb_seq_num 1
_pdbx_nonpoly_scheme.pdb_seq_num 1
_pdbx_nonpoly_scheme.auth_seq_num 1
_pdbx_nonpoly_scheme.pdb_mon_id ROH
_pdbx_nonpoly_scheme.auth_mon_id ROH
_pdbx_nonpoly_scheme.pdb_strand_id ?
_pdbx_nonpoly_scheme.pdb_ins_code .
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose" "C6 H12 O6" 180.156
MAN "D-saccharide, alpha linking" . alpha-D-mannopyranose "alpha-D-mannose; D-mannose; mannose" "C6 H12 O6" 180.156
NAG "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-glucopyranose "N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE" "C8 H15 N O6" 221.208
ROH non-polymer . "UNKNOWN LIGAND" ? ? ?
#
loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.pdbx_leaving_atom_flag
_struct_conn.pdbx_PDB_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.pdbx_ptnr1_PDB_ins_code
_struct_conn.pdbx_ptnr1_standard_comp_id
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_comp_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_comp_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.ptnr2_symmetry
_struct_conn.pdbx_ptnr3_label_atom_id
_struct_conn.pdbx_ptnr3_label_seq_id
_struct_conn.pdbx_ptnr3_label_comp_id
_struct_conn.pdbx_ptnr3_label_asym_id
_struct_conn.pdbx_ptnr3_label_alt_id
_struct_conn.pdbx_ptnr3_PDB_ins_code
_struct_conn.details
_struct_conn.pdbx_dist_value
_struct_conn.pdbx_value_order
_struct_conn.pdbx_role
covale1 covale both ? A MAN . O2 ? ? ? 1_555 A NAG . C1 ? ? ? MAN 1 ? NAG 2 1_555 ? ? ? ? ? ? ? 1.521 sing ?
covale2 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 2 ? GAL 3 1_555 ? ? ? ? ? ? ? 1.439 sing ?
covale3 covale both ? A GAL . O3 ? ? ? 1_555 A GAL . C1 ? ? ? GAL 3 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.448 sing ?
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 2 ?
#
_atom_sites.entry_id MD_SNFG
_atom_sites.fract_transf_matrix[1][1] 1.000000
_atom_sites.fract_transf_matrix[1][2] 0.000000
_atom_sites.fract_transf_matrix[1][3] 0.000000
_atom_sites.fract_transf_matrix[2][1] 0.000000
_atom_sites.fract_transf_matrix[2][2] 1.000000
_atom_sites.fract_transf_matrix[2][3] 0.000000
_atom_sites.fract_transf_matrix[3][1] 0.000000
_atom_sites.fract_transf_matrix[3][2] 0.000000
_atom_sites.fract_transf_matrix[3][3] 1.000000
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
_pdbx_validate_close_contact.id 1
_pdbx_validate_close_contact.PDB_model_num 1
_pdbx_validate_close_contact.auth_atom_id_1 O1
_pdbx_validate_close_contact.auth_asym_id_1 .
_pdbx_validate_close_contact.auth_comp_id_1 ROH
_pdbx_validate_close_contact.auth_seq_id_1 1
_pdbx_validate_close_contact.PDB_ins_code_1 ?
_pdbx_validate_close_contact.label_alt_id_1 ?
_pdbx_validate_close_contact.auth_atom_id_2 C1
_pdbx_validate_close_contact.auth_asym_id_2 .
_pdbx_validate_close_contact.auth_comp_id_2 MAN
_pdbx_validate_close_contact.auth_seq_id_2 1
_pdbx_validate_close_contact.PDB_ins_code_2 ?
_pdbx_validate_close_contact.label_alt_id_2 ?
_pdbx_validate_close_contact.dist 1.45
#
_pdbx_validate_chiral.id 1
_pdbx_validate_chiral.PDB_model_num 1
_pdbx_validate_chiral.auth_atom_id C1
_pdbx_validate_chiral.label_alt_id ?
_pdbx_validate_chiral.auth_asym_id .
_pdbx_validate_chiral.auth_comp_id GAL
_pdbx_validate_chiral.auth_seq_id 4
_pdbx_validate_chiral.PDB_ins_code ?
_pdbx_validate_chiral.details "WRONG HAND"
_pdbx_validate_chiral.omega .
#
loop_
_pdbx_unobs_or_zero_occ_atoms.id
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
_pdbx_unobs_or_zero_occ_atoms.polymer_flag
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
_pdbx_unobs_or_zero_occ_atoms.label_alt_id
_pdbx_unobs_or_zero_occ_atoms.label_asym_id
_pdbx_unobs_or_zero_occ_atoms.label_comp_id
_pdbx_unobs_or_zero_occ_atoms.label_seq_id
_pdbx_unobs_or_zero_occ_atoms.label_atom_id
1 1 N 1 . MAN 1 ? O1 ? A MAN 1 O1
2 1 N 1 . NAG 2 ? C7 ? A NAG 2 C7
3 1 N 1 . NAG 2 ? C8 ? A NAG 2 C8
4 1 N 1 . NAG 2 ? O7 ? A NAG 2 O7
#
loop_
_atom_type.symbol
C
H
N
O
#
_entry.id MD_SNFG
#
loop_
_pdbx_branch_scheme.asym_id
_pdbx_branch_scheme.entity_id
_pdbx_branch_scheme.mon_id
_pdbx_branch_scheme.num
_pdbx_branch_scheme.pdb_asym_id
_pdbx_branch_scheme.pdb_mon_id
_pdbx_branch_scheme.pdb_seq_num
_pdbx_branch_scheme.auth_asym_id
_pdbx_branch_scheme.auth_mon_id
_pdbx_branch_scheme.auth_seq_num
_pdbx_branch_scheme.hetero
A 1 MAN 1 . MAN 1 ? MAN 2 n
A 1 NAG 2 . NAG 2 ? NAG 3 n
A 1 GAL 3 . GAL 3 ? GAL 4 n
A 1 GAL 4 . GAL 4 ? GAL 5 n
#
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
GAL "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGalpb
GAL "COMMON NAME" GMML 1.0 b-D-galactopyranose
GAL "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Galp
GAL "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Gal
MAN "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DManpa
MAN "COMMON NAME" GMML 1.0 a-D-mannopyranose
MAN "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Manp
MAN "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Man
NAG "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGlcpNAcb
NAG "COMMON NAME" GMML 1.0 N-acetyl-b-D-glucopyranosamine
NAG "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-GlcpNAc
NAG "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 GlcNAc
#
_pdbx_entity_branch.entity_id 1
_pdbx_entity_branch.type oligosaccharide
#
_pdbx_entity_branch_descriptor.ordinal 1
_pdbx_entity_branch_descriptor.entity_id 1
_pdbx_entity_branch_descriptor.descriptor DGalpb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-ROH
_pdbx_entity_branch_descriptor.type "Glycam Condensed Sequence"
_pdbx_entity_branch_descriptor.program GMML
_pdbx_entity_branch_descriptor.program_version 1.0
#
loop_
_pdbx_entity_branch_link.link_id
_pdbx_entity_branch_link.entity_id
_pdbx_entity_branch_link.entity_branch_list_num_1
_pdbx_entity_branch_link.comp_id_1
_pdbx_entity_branch_link.atom_id_1
_pdbx_entity_branch_link.leaving_atom_id_1
_pdbx_entity_branch_link.entity_branch_list_num_2
_pdbx_entity_branch_link.comp_id_2
_pdbx_entity_branch_link.atom_id_2
_pdbx_entity_branch_link.leaving_atom_id_2
_pdbx_entity_branch_link.value_order
_pdbx_entity_branch_link.details
1 1 2 NAG C1 O1 1 MAN O2 HO2 sing ?
2 1 3 GAL C1 O1 2 NAG O4 HO4 sing ?
3 1 4 GAL C1 O1 3 GAL O3 HO3 sing ?
#
loop_
_pdbx_entity_branch_list.entity_id
_pdbx_entity_branch_list.comp_id
_pdbx_entity_branch_list.num
_pdbx_entity_branch_list.hetero
1 MAN 1 n
1 NAG 2 n
1 GAL 3 n
1 GAL 4 n
#
_pdbx_entity_nonpoly.entity_id 2
_pdbx_entity_nonpoly.name ?
_pdbx_entity_nonpoly.comp_id ROH
#
_struct_conn_type.id covale
_struct_conn_type.criteria ?
_struct_conn_type.reference ?
#
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_entity_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.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
HETATM 1 C C1 . MAN A 1 . ? 23.210 20.990 22.780 1.00 0.00 ? 1 MAN ? C1 1
HETATM 2 C C2 . MAN A 1 . ? 23.210 22.410 22.120 1.00 0.00 ? 1 MAN ? C2 1
HETATM 3 C C3 . MAN A 1 . ? 24.340 23.170 22.920 1.00 0.00 ? 1 MAN ? C3 1
HETATM 4 C C4 . MAN A 1 . ? 23.950 23.460 24.400 1.00 0.00 ? 1 MAN ? C4 1
HETATM 5 C C5 . MAN A 1 . ? 23.660 22.160 25.060 1.00 0.00 ? 1 MAN ? C5 1
HETATM 6 C C6 . MAN A 1 . ? 23.000 22.280 26.440 1.00 0.00 ? 1 MAN ? C6 1
HETATM 7 O O2 . MAN A 1 . ? 21.890 23.130 22.190 1.00 0.00 ? 1 MAN ? O2 1
HETATM 8 O O3 . MAN A 1 . ? 24.600 24.510 22.450 1.00 0.00 ? 1 MAN ? O3 1
HETATM 9 O O4 . MAN A 1 . ? 25.080 24.070 24.970 1.00 0.00 ? 1 MAN ? O4 1
HETATM 10 O O5 . MAN A 1 . ? 22.930 21.250 24.200 1.00 0.00 ? 1 MAN ? O5 1
HETATM 11 O O6 . MAN A 1 . ? 23.090 21.090 27.220 1.00 0.00 ? 1 MAN ? O6 1
HETATM 12 H H1 . MAN A 1 . ? 24.210 20.590 22.660 1.00 0.00 ? 1 MAN ? H1 1
HETATM 13 H H2 . MAN A 1 . ? 23.490 22.270 21.070 1.00 0.00 ? 1 MAN ? H2 1
HETATM 14 H H3 . MAN A 1 . ? 25.190 22.500 22.750 1.00 0.00 ? 1 MAN ? H3 1
HETATM 15 H H4 . MAN A 1 . ? 23.090 24.130 24.500 1.00 0.00 ? 1 MAN ? H4 1
HETATM 16 H H5 . MAN A 1 . ? 24.650 21.750 25.250 1.00 0.00 ? 1 MAN ? H5 1
HETATM 17 H H61 . MAN A 1 . ? 23.550 23.080 26.930 1.00 0.00 ? 1 MAN ? H61 1
HETATM 18 H H62 . MAN A 1 . ? 21.940 22.500 26.310 1.00 0.00 ? 1 MAN ? H62 1
HETATM 19 H H6O . MAN A 1 . ? 22.620 21.190 28.050 1.00 0.00 ? 1 MAN ? H6O 1
HETATM 20 H H4O . MAN A 1 . ? 25.260 24.780 24.350 1.00 0.00 ? 1 MAN ? H4O 1
HETATM 21 H H3O . MAN A 1 . ? 25.020 24.440 21.590 1.00 0.00 ? 1 MAN ? H3O 1
HETATM 22 C C1 . NAG A 1 . ? 20.960 22.850 21.020 1.00 0.00 ? 2 NAG ? C1 1
HETATM 23 C C2 . NAG A 1 . ? 19.520 22.950 21.490 1.00 0.00 ? 2 NAG ? C2 1
HETATM 24 C C3 . NAG A 1 . ? 18.590 22.670 20.260 1.00 0.00 ? 2 NAG ? C3 1
HETATM 25 C C4 . NAG A 1 . ? 18.960 23.550 19.010 1.00 0.00 ? 2 NAG ? C4 1
HETATM 26 C C5 . NAG A 1 . ? 20.510 23.430 18.720 1.00 0.00 ? 2 NAG ? C5 1
HETATM 27 C C6 . NAG A 1 . ? 21.010 24.460 17.740 1.00 0.00 ? 2 NAG ? C6 1
HETATM 28 N N2 . NAG A 1 . ? 19.180 22.020 22.560 1.00 0.00 ? 2 NAG ? N2 1
HETATM 29 O O3 . NAG A 1 . ? 17.220 23.010 20.620 1.00 0.00 ? 2 NAG ? O3 1
HETATM 30 O O4 . NAG A 1 . ? 18.130 22.960 17.960 1.00 0.00 ? 2 NAG ? O4 1
HETATM 31 O O5 . NAG A 1 . ? 21.170 23.870 19.950 1.00 0.00 ? 2 NAG ? O5 1
HETATM 32 O O6 . NAG A 1 . ? 22.420 24.260 17.590 1.00 0.00 ? 2 NAG ? O6 1
HETATM 33 H H1 . NAG A 1 . ? 21.210 21.840 20.690 1.00 0.00 ? 2 NAG ? H1 1
HETATM 34 H H2 . NAG A 1 . ? 19.400 23.960 21.860 1.00 0.00 ? 2 NAG ? H2 1
HETATM 35 H H3 . NAG A 1 . ? 18.630 21.620 19.960 1.00 0.00 ? 2 NAG ? H3 1
HETATM 36 H H4 . NAG A 1 . ? 18.710 24.580 19.230 1.00 0.00 ? 2 NAG ? H4 1
HETATM 37 H H5 . NAG A 1 . ? 20.800 22.420 18.410 1.00 0.00 ? 2 NAG ? H5 1
HETATM 38 H H61 . NAG A 1 . ? 20.560 24.300 16.760 1.00 0.00 ? 2 NAG ? H61 1
HETATM 39 H H62 . NAG A 1 . ? 20.790 25.480 18.040 1.00 0.00 ? 2 NAG ? H62 1
HETATM 40 H H6O . NAG A 1 . ? 22.870 24.740 16.900 1.00 0.00 ? 2 NAG ? H6O 1
HETATM 41 H H3O . NAG A 1 . ? 17.130 23.960 20.770 1.00 0.00 ? 2 NAG ? H3O 1
HETATM 42 H H2N . NAG A 1 . ? 19.410 21.060 22.340 1.00 0.00 ? 2 NAG ? H2N 1
HETATM 43 C C2N . NAG A 1 . ? 18.760 22.480 23.790 1.00 0.00 ? 2 NAG ? C2N 1
HETATM 44 O O2N . NAG A 1 . ? 18.160 23.560 23.940 1.00 0.00 ? 2 NAG ? O2N 1
HETATM 45 C CME . NAG A 1 . ? 19.140 21.550 24.990 1.00 0.00 ? 2 NAG ? CME 1
HETATM 46 H H3M . NAG A 1 . ? 20.200 21.290 24.940 1.00 0.00 ? 2 NAG ? H3M 1
HETATM 47 H H2M . NAG A 1 . ? 18.880 22.190 25.830 1.00 0.00 ? 2 NAG ? H2M 1
HETATM 48 H H1M . NAG A 1 . ? 18.470 20.690 24.900 1.00 0.00 ? 2 NAG ? H1M 1
HETATM 49 C C1 . GAL A 1 . ? 17.450 23.990 17.220 1.00 0.00 ? 3 GAL ? C1 1
HETATM 50 C C2 . GAL A 1 . ? 16.670 23.340 16.140 1.00 0.00 ? 3 GAL ? C2 1
HETATM 51 C C3 . GAL A 1 . ? 15.820 24.450 15.440 1.00 0.00 ? 3 GAL ? C3 1
HETATM 52 C C4 . GAL A 1 . ? 14.870 25.200 16.440 1.00 0.00 ? 3 GAL ? C4 1
HETATM 53 C C5 . GAL A 1 . ? 15.810 25.850 17.450 1.00 0.00 ? 3 GAL ? C5 1
HETATM 54 C C6 . GAL A 1 . ? 15.010 26.810 18.390 1.00 0.00 ? 3 GAL ? C6 1
HETATM 55 O O2 . GAL A 1 . ? 17.540 22.660 15.180 1.00 0.00 ? 3 GAL ? O2 1
HETATM 56 O O3 . GAL A 1 . ? 14.960 23.970 14.340 1.00 0.00 ? 3 GAL ? O3 1
HETATM 57 O O4 . GAL A 1 . ? 13.910 24.320 17.050 1.00 0.00 ? 3 GAL ? O4 1
HETATM 58 O O5 . GAL A 1 . ? 16.500 24.680 18.140 1.00 0.00 ? 3 GAL ? O5 1
HETATM 59 O O6 . GAL A 1 . ? 15.930 27.250 19.360 1.00 0.00 ? 3 GAL ? O6 1
HETATM 60 H H1 . GAL A 1 . ? 18.100 24.770 16.810 1.00 0.00 ? 3 GAL ? H1 1
HETATM 61 H H2 . GAL A 1 . ? 16.130 22.550 16.670 1.00 0.00 ? 3 GAL ? H2 1
HETATM 62 H H3 . GAL A 1 . ? 16.490 25.220 15.050 1.00 0.00 ? 3 GAL ? H3 1
HETATM 63 H H4 . GAL A 1 . ? 14.350 25.970 15.890 1.00 0.00 ? 3 GAL ? H4 1
HETATM 64 H H5 . GAL A 1 . ? 16.530 26.450 16.890 1.00 0.00 ? 3 GAL ? H5 1
HETATM 65 H H61 . GAL A 1 . ? 14.700 27.690 17.810 1.00 0.00 ? 3 GAL ? H61 1
HETATM 66 H H62 . GAL A 1 . ? 14.110 26.460 18.900 1.00 0.00 ? 3 GAL ? H62 1
HETATM 67 H H6O . GAL A 1 . ? 16.160 26.600 20.020 1.00 0.00 ? 3 GAL ? H6O 1
HETATM 68 H H4O . GAL A 1 . ? 13.070 24.230 16.590 1.00 0.00 ? 3 GAL ? H4O 1
HETATM 69 H H2O . GAL A 1 . ? 17.050 22.420 14.390 1.00 0.00 ? 3 GAL ? H2O 1
HETATM 70 C C1 . GAL A 1 . ? 15.500 23.870 13.000 1.00 0.00 ? 4 GAL ? C1 1
HETATM 71 C C2 . GAL A 1 . ? 14.470 24.070 11.930 1.00 0.00 ? 4 GAL ? C2 1
HETATM 72 C C3 . GAL A 1 . ? 13.660 22.820 11.780 1.00 0.00 ? 4 GAL ? C3 1
HETATM 73 C C4 . GAL A 1 . ? 14.480 21.550 11.540 1.00 0.00 ? 4 GAL ? C4 1
HETATM 74 C C5 . GAL A 1 . ? 15.520 21.380 12.640 1.00 0.00 ? 4 GAL ? C5 1
HETATM 75 C C6 . GAL A 1 . ? 16.400 20.110 12.340 1.00 0.00 ? 4 GAL ? C6 1
HETATM 76 O O2 . GAL A 1 . ? 13.550 25.150 12.290 1.00 0.00 ? 4 GAL ? O2 1
HETATM 77 O O3 . GAL A 1 . ? 12.640 22.990 10.720 1.00 0.00 ? 4 GAL ? O3 1
HETATM 78 O O4 . GAL A 1 . ? 15.160 21.660 10.220 1.00 0.00 ? 4 GAL ? O4 1
HETATM 79 O O5 . GAL A 1 . ? 16.310 22.700 12.780 1.00 0.00 ? 4 GAL ? O5 1
HETATM 80 O O6 . GAL A 1 . ? 17.410 19.990 13.400 1.00 0.00 ? 4 GAL ? O6 1
HETATM 81 H H1 . GAL A 1 . ? 16.170 24.720 12.850 1.00 0.00 ? 4 GAL ? H1 1
HETATM 82 H H2 . GAL A 1 . ? 14.960 24.260 10.980 1.00 0.00 ? 4 GAL ? H2 1
HETATM 83 H H3 . GAL A 1 . ? 13.180 22.620 12.740 1.00 0.00 ? 4 GAL ? H3 1
HETATM 84 H H4 . GAL A 1 . ? 13.770 20.730 11.610 1.00 0.00 ? 4 GAL ? H4 1
HETATM 85 H H5 . GAL A 1 . ? 14.860 21.230 13.500 1.00 0.00 ? 4 GAL ? H5 1
HETATM 86 H H61 . GAL A 1 . ? 16.920 20.290 11.400 1.00 0.00 ? 4 GAL ? H61 1
HETATM 87 H H62 . GAL A 1 . ? 15.790 19.210 12.380 1.00 0.00 ? 4 GAL ? H62 1
HETATM 88 H H6O . GAL A 1 . ? 18.280 20.180 13.060 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 89 H H4O . GAL A 1 . ? 15.040 20.890 9.670 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 90 H H3O . GAL A 1 . ? 13.020 23.230 9.880 1.00 0.00 ? 4 GAL ? H3O 1
HETATM 91 H H2O . GAL A 1 . ? 12.710 24.890 11.920 1.00 0.00 ? 4 GAL ? H2O 1
HETATM 92 H HO1 . ROH B 2 . ? 22.680 19.680 21.430 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 93 O O1 . ROH B 2 . ? 22.280 20.020 22.230 1.00 0.00 ? 1 ROH ? O1 1
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