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 "alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 853.771 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
FUC "L-saccharide, alpha linking" . alpha-L-fucopyranose "alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose; L-fucose; fucose"
"C6 H12 O5" 164.156
GAL "D-saccharide, beta linking" . beta-D-galactopyranose "beta-D-galactose; D-galactose; galactose"
"C6 H12 O6" 180.156
GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose"
"C6 H12 O6" 180.156
NGA "D-saccharide, beta linking" . 2-acetamido-2-deoxy-beta-D-galactopyranose "N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE"
"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 GLC . O4 ? ? ? 1_555 A GAL . C1 ? ? ? GLC 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.436 sing ?
covale2 covale both ? A GAL . O3 ? ? ? 1_555 A NGA . C1 ? ? ? GAL 2 ? NGA 3 1_555 ? ? ? ? ? ? ? 1.483 sing ?
covale3 covale both ? A NGA . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NGA 3 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.433 sing ?
covale4 covale both ? A GAL . O2 ? ? ? 1_555 A FUC . C1 ? ? ? GAL 4 ? FUC 5 1_555 ? ? ? ? ? ? ? 1.455 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 GLC
_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
#
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 . GLC 1 ? O1 ? A GLC 1 O1
2 1 N 1 . NGA 3 ? C7 ? A NGA 3 C7
3 1 N 1 . NGA 3 ? C8 ? A NGA 3 C8
4 1 N 1 . NGA 3 ? O7 ? A NGA 3 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 GLC 1 . GLC 1 ? GLC 2 n
A 1 GAL 2 . GAL 2 ? GAL 3 n
A 1 NGA 3 . NGA 3 ? NGA 4 n
A 1 GAL 4 . GAL 4 ? GAL 5 n
A 1 FUC 5 . FUC 5 ? FUC 6 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
FUC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LFucpa
FUC "COMMON NAME" GMML 1.0 a-L-fucopyranose
FUC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Fucp
FUC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Fuc
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
GLC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGlcpa
GLC "COMMON NAME" GMML 1.0 a-D-glucopyranose
GLC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Glcp
GLC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Glc
NGA "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGalpNAcb
NGA "COMMON NAME" GMML 1.0 N-acetyl-b-D-galactopyranosamine
NGA "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-GalpNAc
NGA "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 GalNAc
#
_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 LFucpa1-2DGalpb1-3DGalpNAcb1-3DGalpb1-4DGlcpa1-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 GAL C1 O1 1 GLC O4 HO4 sing ?
2 1 3 NGA C1 O1 2 GAL O3 HO3 sing ?
3 1 4 GAL C1 O1 3 NGA O3 HO3 sing ?
4 1 5 FUC C1 O1 4 GAL O2 HO2 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 GLC 1 n
1 GAL 2 n
1 NGA 3 n
1 GAL 4 n
1 FUC 5 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 . GLC A 1 . ? 13.230 5.160 9.810 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 13.020 5.610 8.350 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 13.310 7.100 8.130 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 12.590 7.960 9.130 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 12.850 7.510 10.550 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 12.180 8.250 11.670 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 13.980 4.840 7.560 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 13.080 7.620 6.770 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 13.110 9.340 8.900 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 12.480 6.070 10.680 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 10.740 8.150 11.510 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 14.270 5.090 10.110 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 12.010 5.310 8.070 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 14.340 7.390 8.370 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 11.550 7.870 8.830 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 13.930 7.480 10.690 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 12.440 7.720 12.580 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 12.430 9.300 11.790 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 10.370 8.890 12.000 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H3O . GLC A 1 . ? 13.880 8.130 6.620 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 21 H H2O . GLC A 1 . ? 13.740 3.910 7.570 1.00 0.00 ? 1 GLC ? H2O 1
HETATM 22 C C1 . GAL A 1 . ? 12.100 10.360 8.880 1.00 0.00 ? 2 GAL ? C1 1
HETATM 23 C C2 . GAL A 1 . ? 12.750 11.770 9.140 1.00 0.00 ? 2 GAL ? C2 1
HETATM 24 C C3 . GAL A 1 . ? 11.700 12.890 9.000 1.00 0.00 ? 2 GAL ? C3 1
HETATM 25 C C4 . GAL A 1 . ? 10.720 12.730 7.860 1.00 0.00 ? 2 GAL ? C4 1
HETATM 26 C C5 . GAL A 1 . ? 10.300 11.300 7.690 1.00 0.00 ? 2 GAL ? C5 1
HETATM 27 C C6 . GAL A 1 . ? 9.460 11.150 6.450 1.00 0.00 ? 2 GAL ? C6 1
HETATM 28 O O2 . GAL A 1 . ? 13.220 11.820 10.540 1.00 0.00 ? 2 GAL ? O2 1
HETATM 29 O O3 . GAL A 1 . ? 12.360 14.240 8.920 1.00 0.00 ? 2 GAL ? O3 1
HETATM 30 O O4 . GAL A 1 . ? 11.540 13.000 6.700 1.00 0.00 ? 2 GAL ? O4 1
HETATM 31 O O5 . GAL A 1 . ? 11.410 10.400 7.600 1.00 0.00 ? 2 GAL ? O5 1
HETATM 32 O O6 . GAL A 1 . ? 8.620 9.990 6.530 1.00 0.00 ? 2 GAL ? O6 1
HETATM 33 H H1 . GAL A 1 . ? 11.420 10.180 9.720 1.00 0.00 ? 2 GAL ? H1 1
HETATM 34 H H2 . GAL A 1 . ? 13.630 11.960 8.520 1.00 0.00 ? 2 GAL ? H2 1
HETATM 35 H H3 . GAL A 1 . ? 11.060 12.930 9.880 1.00 0.00 ? 2 GAL ? H3 1
HETATM 36 H H4 . GAL A 1 . ? 9.870 13.420 7.900 1.00 0.00 ? 2 GAL ? H4 1
HETATM 37 H H5 . GAL A 1 . ? 9.700 11.090 8.580 1.00 0.00 ? 2 GAL ? H5 1
HETATM 38 H H61 . GAL A 1 . ? 8.800 12.000 6.240 1.00 0.00 ? 2 GAL ? H61 1
HETATM 39 H H62 . GAL A 1 . ? 10.030 11.020 5.530 1.00 0.00 ? 2 GAL ? H62 1
HETATM 40 H H6O . GAL A 1 . ? 8.150 10.000 5.700 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 41 H H4O . GAL A 1 . ? 12.180 13.690 6.830 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 42 H H2O . GAL A 1 . ? 13.950 11.230 10.770 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 43 C C1 . NGA A 1 . ? 11.610 15.400 9.460 1.00 0.00 ? 3 NGA ? C1 1
HETATM 44 C C2 . NGA A 1 . ? 12.520 16.380 10.160 1.00 0.00 ? 3 NGA ? C2 1
HETATM 45 C C3 . NGA A 1 . ? 11.870 17.730 10.560 1.00 0.00 ? 3 NGA ? C3 1
HETATM 46 C C4 . NGA A 1 . ? 11.080 18.310 9.360 1.00 0.00 ? 3 NGA ? C4 1
HETATM 47 C C5 . NGA A 1 . ? 10.120 17.170 8.800 1.00 0.00 ? 3 NGA ? C5 1
HETATM 48 C C6 . NGA A 1 . ? 9.260 17.670 7.690 1.00 0.00 ? 3 NGA ? C6 1
HETATM 49 N N2 . NGA A 1 . ? 13.110 15.760 11.340 1.00 0.00 ? 3 NGA ? N2 1
HETATM 50 O O3 . NGA A 1 . ? 12.840 18.760 11.050 1.00 0.00 ? 3 NGA ? O3 1
HETATM 51 O O4 . NGA A 1 . ? 12.070 18.690 8.320 1.00 0.00 ? 3 NGA ? O4 1
HETATM 52 O O5 . NGA A 1 . ? 10.950 16.070 8.290 1.00 0.00 ? 3 NGA ? O5 1
HETATM 53 O O6 . NGA A 1 . ? 8.010 16.930 7.550 1.00 0.00 ? 3 NGA ? O6 1
HETATM 54 H H1 . NGA A 1 . ? 10.810 15.040 10.110 1.00 0.00 ? 3 NGA ? H1 1
HETATM 55 H H2 . NGA A 1 . ? 13.340 16.640 9.480 1.00 0.00 ? 3 NGA ? H2 1
HETATM 56 H H3 . NGA A 1 . ? 11.160 17.560 11.370 1.00 0.00 ? 3 NGA ? H3 1
HETATM 57 H H4 . NGA A 1 . ? 10.530 19.210 9.650 1.00 0.00 ? 3 NGA ? H4 1
HETATM 58 H H5 . NGA A 1 . ? 9.480 16.760 9.580 1.00 0.00 ? 3 NGA ? H5 1
HETATM 59 H H61 . NGA A 1 . ? 9.090 18.730 7.900 1.00 0.00 ? 3 NGA ? H61 1
HETATM 60 H H62 . NGA A 1 . ? 9.810 17.670 6.750 1.00 0.00 ? 3 NGA ? H62 1
HETATM 61 H H6O . NGA A 1 . ? 7.530 17.300 6.800 1.00 0.00 ? 3 NGA ? H6O 1
HETATM 62 H H4O . NGA A 1 . ? 12.610 19.400 8.680 1.00 0.00 ? 3 NGA ? H4O 1
HETATM 63 H H2N . NGA A 1 . ? 12.530 15.790 12.170 1.00 0.00 ? 3 NGA ? H2N 1
HETATM 64 C C2N . NGA A 1 . ? 14.370 15.210 11.360 1.00 0.00 ? 3 NGA ? C2N 1
HETATM 65 O O2N . NGA A 1 . ? 15.050 15.110 10.350 1.00 0.00 ? 3 NGA ? O2N 1
HETATM 66 C CME . NGA A 1 . ? 14.930 14.850 12.680 1.00 0.00 ? 3 NGA ? CME 1
HETATM 67 H H3M . NGA A 1 . ? 14.190 14.510 13.410 1.00 0.00 ? 3 NGA ? H3M 1
HETATM 68 H H2M . NGA A 1 . ? 15.680 14.070 12.560 1.00 0.00 ? 3 NGA ? H2M 1
HETATM 69 H H1M . NGA A 1 . ? 15.550 15.610 13.150 1.00 0.00 ? 3 NGA ? H1M 1
HETATM 70 C C1 . GAL A 1 . ? 12.760 19.100 12.440 1.00 0.00 ? 4 GAL ? C1 1
HETATM 71 C C2 . GAL A 1 . ? 13.850 20.130 12.830 1.00 0.00 ? 4 GAL ? C2 1
HETATM 72 C C3 . GAL A 1 . ? 13.620 20.760 14.220 1.00 0.00 ? 4 GAL ? C3 1
HETATM 73 C C4 . GAL A 1 . ? 12.180 21.380 14.270 1.00 0.00 ? 4 GAL ? C4 1
HETATM 74 C C5 . GAL A 1 . ? 11.150 20.260 14.030 1.00 0.00 ? 4 GAL ? C5 1
HETATM 75 C C6 . GAL A 1 . ? 9.680 20.650 14.040 1.00 0.00 ? 4 GAL ? C6 1
HETATM 76 O O2 . GAL A 1 . ? 15.090 19.450 12.890 1.00 0.00 ? 4 GAL ? O2 1
HETATM 77 O O3 . GAL A 1 . ? 14.630 21.810 14.490 1.00 0.00 ? 4 GAL ? O3 1
HETATM 78 O O4 . GAL A 1 . ? 12.220 22.440 13.270 1.00 0.00 ? 4 GAL ? O4 1
HETATM 79 O O5 . GAL A 1 . ? 11.450 19.750 12.650 1.00 0.00 ? 4 GAL ? O5 1
HETATM 80 O O6 . GAL A 1 . ? 8.890 19.470 13.790 1.00 0.00 ? 4 GAL ? O6 1
HETATM 81 H H1 . GAL A 1 . ? 12.850 18.230 13.080 1.00 0.00 ? 4 GAL ? H1 1
HETATM 82 H H2 . GAL A 1 . ? 13.940 20.940 12.110 1.00 0.00 ? 4 GAL ? H2 1
HETATM 83 H H3 . GAL A 1 . ? 13.660 19.900 14.890 1.00 0.00 ? 4 GAL ? H3 1
HETATM 84 H H4 . GAL A 1 . ? 12.080 21.690 15.310 1.00 0.00 ? 4 GAL ? H4 1
HETATM 85 H H5 . GAL A 1 . ? 11.340 19.460 14.740 1.00 0.00 ? 4 GAL ? H5 1
HETATM 86 H H61 . GAL A 1 . ? 9.480 21.010 15.060 1.00 0.00 ? 4 GAL ? H61 1
HETATM 87 H H62 . GAL A 1 . ? 9.450 21.340 13.230 1.00 0.00 ? 4 GAL ? H62 1
HETATM 88 H H6O . GAL A 1 . ? 7.990 19.620 14.080 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 89 H H4O . GAL A 1 . ? 11.510 23.000 13.590 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 90 H H3O . GAL A 1 . ? 14.560 22.580 13.930 1.00 0.00 ? 4 GAL ? H3O 1
HETATM 91 C C1 . FUC A 1 . ? 16.140 20.110 12.130 1.00 0.00 ? 5 FUC ? C1 1
HETATM 92 C C2 . FUC A 1 . ? 17.450 19.360 12.610 1.00 0.00 ? 5 FUC ? C2 1
HETATM 93 C C3 . FUC A 1 . ? 17.550 17.910 12.050 1.00 0.00 ? 5 FUC ? C3 1
HETATM 94 C C4 . FUC A 1 . ? 17.450 17.900 10.500 1.00 0.00 ? 5 FUC ? C4 1
HETATM 95 C C5 . FUC A 1 . ? 16.140 18.640 10.150 1.00 0.00 ? 5 FUC ? C5 1
HETATM 96 C C6 . FUC A 1 . ? 15.950 18.750 8.660 1.00 0.00 ? 5 FUC ? C6 1
HETATM 97 O O2 . FUC A 1 . ? 17.530 19.330 14.060 1.00 0.00 ? 5 FUC ? O2 1
HETATM 98 O O3 . FUC A 1 . ? 18.820 17.270 12.350 1.00 0.00 ? 5 FUC ? O3 1
HETATM 99 O O4 . FUC A 1 . ? 18.590 18.580 9.990 1.00 0.00 ? 5 FUC ? O4 1
HETATM 100 O O5 . FUC A 1 . ? 15.980 19.940 10.680 1.00 0.00 ? 5 FUC ? O5 1
HETATM 101 H H1 . FUC A 1 . ? 16.160 21.130 12.510 1.00 0.00 ? 5 FUC ? H1 1
HETATM 102 H H2 . FUC A 1 . ? 18.330 19.910 12.280 1.00 0.00 ? 5 FUC ? H2 1
HETATM 103 H H3 . FUC A 1 . ? 16.760 17.280 12.450 1.00 0.00 ? 5 FUC ? H3 1
HETATM 104 H H4 . FUC A 1 . ? 17.500 16.870 10.160 1.00 0.00 ? 5 FUC ? H4 1
HETATM 105 H H5 . FUC A 1 . ? 15.280 18.070 10.520 1.00 0.00 ? 5 FUC ? H5 1
HETATM 106 H H61 . FUC A 1 . ? 15.060 19.330 8.430 1.00 0.00 ? 5 FUC ? H61 1
HETATM 107 H H62 . FUC A 1 . ? 15.630 17.760 8.340 1.00 0.00 ? 5 FUC ? H62 1
HETATM 108 H H63 . FUC A 1 . ? 16.780 19.150 8.070 1.00 0.00 ? 5 FUC ? H63 1
HETATM 109 H H4O . FUC A 1 . ? 19.090 18.010 9.400 1.00 0.00 ? 5 FUC ? H4O 1
HETATM 110 H H3O . FUC A 1 . ? 18.690 16.350 12.080 1.00 0.00 ? 5 FUC ? H3O 1
HETATM 111 H H2O . FUC A 1 . ? 18.330 18.810 14.210 1.00 0.00 ? 5 FUC ? H2O 1
HETATM 112 H HO1 . ROH B 2 . ? 11.770 3.860 9.730 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 113 O O1 . ROH B 2 . ? 12.690 3.830 10.000 1.00 0.00 ? 1 ROH ? O1 1
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