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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose
;
1260.157 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
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
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 NGA . O6 ? ? ? 1_555 A NAG . C1 ? ? ? NGA 1 ? NAG 2 1_555 ? ? ? ? ? ? ? 1.468 sing ?
covale2 covale both ? A NGA . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NGA 1 ? GAL 7 1_555 ? ? ? ? ? ? ? 1.477 sing ?
covale3 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 2 ? GAL 3 1_555 ? ? ? ? ? ? ? 1.417 sing ?
covale4 covale both ? A NAG . O3 ? ? ? 1_555 A FUC . C1 ? ? ? NAG 2 ? FUC 6 1_555 ? ? ? ? ? ? ? 1.419 sing ?
covale5 covale both ? A GAL . O3 ? ? ? 1_555 A NAG . C1 ? ? ? GAL 3 ? NAG 4 1_555 ? ? ? ? ? ? ? 1.425 sing ?
covale6 covale both ? A NAG . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 4 ? GAL 5 1_555 ? ? ? ? ? ? ? 1.461 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 NGA
_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 1.46
#
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 . NGA 1 ? C7 ? A NGA 1 C7
2 1 N 1 . NGA 1 ? C8 ? A NGA 1 C8
3 1 N 1 . NGA 1 ? O1 ? A NGA 1 O1
4 1 N 1 . NGA 1 ? O7 ? A NGA 1 O7
5 1 N 1 . NAG 2 ? C7 ? A NAG 2 C7
6 1 N 1 . NAG 2 ? C8 ? A NAG 2 C8
7 1 N 1 . NAG 2 ? O7 ? A NAG 2 O7
8 1 N 1 . NAG 4 ? C7 ? A NAG 4 C7
9 1 N 1 . NAG 4 ? C8 ? A NAG 4 C8
10 1 N 1 . NAG 4 ? O7 ? A NAG 4 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 NGA 1 . NGA 1 ? NGA 2 n
A 1 NAG 2 . NAG 2 ? NAG 4 n
A 1 GAL 3 . GAL 3 ? GAL 6 n
A 1 NAG 4 . NAG 4 ? NAG 7 n
A 1 GAL 5 . GAL 5 ? GAL 8 n
A 1 FUC 6 . FUC 6 ? FUC 5 n
A 1 GAL 7 . GAL 7 ? GAL 3 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
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
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 "DGalpb1-3DGlcpNAcb1-3DGalpb1-4[LFucpa1-3]DGlcpNAcb1-6[DGalpb1-3]DGalpNAcb1-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 NGA O6 HO6 sing ?
2 1 3 GAL C1 O1 2 NAG O4 HO4 sing ?
3 1 4 NAG C1 O1 3 GAL O3 HO3 sing ?
4 1 5 GAL C1 O1 4 NAG O3 HO3 sing ?
5 1 6 FUC C1 O1 2 NAG O3 HO3 sing ?
6 1 7 GAL C1 O1 1 NGA 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 NGA 1 n
1 NAG 2 n
1 GAL 3 n
1 NAG 4 n
1 GAL 5 n
1 FUC 6 n
1 GAL 7 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 . NGA A 1 . ? 11.080 22.300 19.080 1.00 0.00 ? 1 NGA ? C1 1
HETATM 2 C C2 . NGA A 1 . ? 11.910 22.370 17.750 1.00 0.00 ? 1 NGA ? C2 1
HETATM 3 C C3 . NGA A 1 . ? 12.600 21.110 17.550 1.00 0.00 ? 1 NGA ? C3 1
HETATM 4 C C4 . NGA A 1 . ? 13.580 20.670 18.640 1.00 0.00 ? 1 NGA ? C4 1
HETATM 5 C C5 . NGA A 1 . ? 12.870 20.690 20.040 1.00 0.00 ? 1 NGA ? C5 1
HETATM 6 C C6 . NGA A 1 . ? 13.800 20.630 21.260 1.00 0.00 ? 1 NGA ? C6 1
HETATM 7 N N2 . NGA A 1 . ? 11.080 22.750 16.620 1.00 0.00 ? 1 NGA ? N2 1
HETATM 8 O O3 . NGA A 1 . ? 13.350 21.090 16.290 1.00 0.00 ? 1 NGA ? O3 1
HETATM 9 O O4 . NGA A 1 . ? 14.670 21.660 18.660 1.00 0.00 ? 1 NGA ? O4 1
HETATM 10 O O5 . NGA A 1 . ? 11.960 21.850 20.170 1.00 0.00 ? 1 NGA ? O5 1
HETATM 11 O O6 . NGA A 1 . ? 14.760 21.830 21.320 1.00 0.00 ? 1 NGA ? O6 1
HETATM 12 H H1 . NGA A 1 . ? 10.250 21.600 18.980 1.00 0.00 ? 1 NGA ? H1 1
HETATM 13 H H2 . NGA A 1 . ? 12.610 23.210 17.790 1.00 0.00 ? 1 NGA ? H2 1
HETATM 14 H H3 . NGA A 1 . ? 11.920 20.260 17.480 1.00 0.00 ? 1 NGA ? H3 1
HETATM 15 H H4 . NGA A 1 . ? 13.940 19.690 18.330 1.00 0.00 ? 1 NGA ? H4 1
HETATM 16 H H5 . NGA A 1 . ? 12.170 19.860 20.020 1.00 0.00 ? 1 NGA ? H5 1
HETATM 17 H H61 . NGA A 1 . ? 13.170 20.620 22.150 1.00 0.00 ? 1 NGA ? H61 1
HETATM 18 H H62 . NGA A 1 . ? 14.510 19.800 21.200 1.00 0.00 ? 1 NGA ? H62 1
HETATM 19 H H4O . NGA A 1 . ? 14.830 22.020 19.540 1.00 0.00 ? 1 NGA ? H4O 1
HETATM 20 H H2N . NGA A 1 . ? 10.300 22.160 16.370 1.00 0.00 ? 1 NGA ? H2N 1
HETATM 21 C C2N . NGA A 1 . ? 11.100 23.990 16.030 1.00 0.00 ? 1 NGA ? C2N 1
HETATM 22 O O2N . NGA A 1 . ? 12.050 24.710 16.070 1.00 0.00 ? 1 NGA ? O2N 1
HETATM 23 C CME . NGA A 1 . ? 9.850 24.370 15.210 1.00 0.00 ? 1 NGA ? CME 1
HETATM 24 H H3M . NGA A 1 . ? 9.940 25.450 15.060 1.00 0.00 ? 1 NGA ? H3M 1
HETATM 25 H H2M . NGA A 1 . ? 9.840 23.980 14.190 1.00 0.00 ? 1 NGA ? H2M 1
HETATM 26 H H1M . NGA A 1 . ? 8.890 24.170 15.670 1.00 0.00 ? 1 NGA ? H1M 1
HETATM 27 C C1 . NAG A 1 . ? 15.600 21.930 22.520 1.00 0.00 ? 2 NAG ? C1 1
HETATM 28 C C2 . NAG A 1 . ? 16.550 23.120 22.380 1.00 0.00 ? 2 NAG ? C2 1
HETATM 29 C C3 . NAG A 1 . ? 17.360 23.220 23.690 1.00 0.00 ? 2 NAG ? C3 1
HETATM 30 C C4 . NAG A 1 . ? 16.440 23.370 24.840 1.00 0.00 ? 2 NAG ? C4 1
HETATM 31 C C5 . NAG A 1 . ? 15.500 22.190 24.930 1.00 0.00 ? 2 NAG ? C5 1
HETATM 32 C C6 . NAG A 1 . ? 14.400 22.290 26.020 1.00 0.00 ? 2 NAG ? C6 1
HETATM 33 N N2 . NAG A 1 . ? 17.390 22.880 21.310 1.00 0.00 ? 2 NAG ? N2 1
HETATM 34 O O3 . NAG A 1 . ? 18.220 24.470 23.660 1.00 0.00 ? 2 NAG ? O3 1
HETATM 35 O O4 . NAG A 1 . ? 17.280 23.330 26.030 1.00 0.00 ? 2 NAG ? O4 1
HETATM 36 O O5 . NAG A 1 . ? 14.730 22.190 23.650 1.00 0.00 ? 2 NAG ? O5 1
HETATM 37 O O6 . NAG A 1 . ? 13.520 23.410 25.710 1.00 0.00 ? 2 NAG ? O6 1
HETATM 38 H H1 . NAG A 1 . ? 16.100 20.970 22.620 1.00 0.00 ? 2 NAG ? H1 1
HETATM 39 H H2 . NAG A 1 . ? 16.010 24.050 22.190 1.00 0.00 ? 2 NAG ? H2 1
HETATM 40 H H3 . NAG A 1 . ? 17.950 22.330 23.910 1.00 0.00 ? 2 NAG ? H3 1
HETATM 41 H H4 . NAG A 1 . ? 15.790 24.240 24.820 1.00 0.00 ? 2 NAG ? H4 1
HETATM 42 H H5 . NAG A 1 . ? 16.130 21.330 25.130 1.00 0.00 ? 2 NAG ? H5 1
HETATM 43 H H61 . NAG A 1 . ? 13.840 21.360 26.000 1.00 0.00 ? 2 NAG ? H61 1
HETATM 44 H H62 . NAG A 1 . ? 14.810 22.370 27.020 1.00 0.00 ? 2 NAG ? H62 1
HETATM 45 H H6O . NAG A 1 . ? 13.150 23.350 24.830 1.00 0.00 ? 2 NAG ? H6O 1
HETATM 46 H H2N . NAG A 1 . ? 17.860 21.980 21.250 1.00 0.00 ? 2 NAG ? H2N 1
HETATM 47 C C2N . NAG A 1 . ? 17.580 23.680 20.200 1.00 0.00 ? 2 NAG ? C2N 1
HETATM 48 O O2N . NAG A 1 . ? 17.220 24.840 20.110 1.00 0.00 ? 2 NAG ? O2N 1
HETATM 49 C CME . NAG A 1 . ? 18.180 22.890 19.020 1.00 0.00 ? 2 NAG ? CME 1
HETATM 50 H H3M . NAG A 1 . ? 17.620 23.250 18.160 1.00 0.00 ? 2 NAG ? H3M 1
HETATM 51 H H2M . NAG A 1 . ? 19.240 23.100 18.850 1.00 0.00 ? 2 NAG ? H2M 1
HETATM 52 H H1M . NAG A 1 . ? 18.070 21.810 19.100 1.00 0.00 ? 2 NAG ? H1M 1
HETATM 53 C C1 . GAL A 1 . ? 16.990 24.350 26.970 1.00 0.00 ? 3 GAL ? C1 1
HETATM 54 C C2 . GAL A 1 . ? 17.620 24.090 28.350 1.00 0.00 ? 3 GAL ? C2 1
HETATM 55 C C3 . GAL A 1 . ? 17.620 25.290 29.340 1.00 0.00 ? 3 GAL ? C3 1
HETATM 56 C C4 . GAL A 1 . ? 18.010 26.640 28.620 1.00 0.00 ? 3 GAL ? C4 1
HETATM 57 C C5 . GAL A 1 . ? 17.290 26.850 27.300 1.00 0.00 ? 3 GAL ? C5 1
HETATM 58 C C6 . GAL A 1 . ? 17.610 28.040 26.390 1.00 0.00 ? 3 GAL ? C6 1
HETATM 59 O O2 . GAL A 1 . ? 16.990 22.940 28.890 1.00 0.00 ? 3 GAL ? O2 1
HETATM 60 O O3 . GAL A 1 . ? 18.440 25.180 30.540 1.00 0.00 ? 3 GAL ? O3 1
HETATM 61 O O4 . GAL A 1 . ? 19.430 26.540 28.430 1.00 0.00 ? 3 GAL ? O4 1
HETATM 62 O O5 . GAL A 1 . ? 17.520 25.660 26.450 1.00 0.00 ? 3 GAL ? O5 1
HETATM 63 O O6 . GAL A 1 . ? 16.600 28.300 25.390 1.00 0.00 ? 3 GAL ? O6 1
HETATM 64 H H1 . GAL A 1 . ? 15.910 24.380 27.050 1.00 0.00 ? 3 GAL ? H1 1
HETATM 65 H H2 . GAL A 1 . ? 18.670 23.810 28.250 1.00 0.00 ? 3 GAL ? H2 1
HETATM 66 H H3 . GAL A 1 . ? 16.560 25.440 29.570 1.00 0.00 ? 3 GAL ? H3 1
HETATM 67 H H4 . GAL A 1 . ? 17.730 27.500 29.230 1.00 0.00 ? 3 GAL ? H4 1
HETATM 68 H H5 . GAL A 1 . ? 16.210 26.920 27.440 1.00 0.00 ? 3 GAL ? H5 1
HETATM 69 H H61 . GAL A 1 . ? 17.730 28.910 27.030 1.00 0.00 ? 3 GAL ? H61 1
HETATM 70 H H62 . GAL A 1 . ? 18.580 27.810 25.940 1.00 0.00 ? 3 GAL ? H62 1
HETATM 71 H H6O . GAL A 1 . ? 16.660 29.210 25.110 1.00 0.00 ? 3 GAL ? H6O 1
HETATM 72 H H4O . GAL A 1 . ? 19.850 26.180 29.210 1.00 0.00 ? 3 GAL ? H4O 1
HETATM 73 H H2O . GAL A 1 . ? 17.410 22.170 28.500 1.00 0.00 ? 3 GAL ? H2O 1
HETATM 74 C C1 . NAG A 1 . ? 17.830 24.420 31.580 1.00 0.00 ? 4 NAG ? C1 1
HETATM 75 C C2 . NAG A 1 . ? 18.760 23.890 32.700 1.00 0.00 ? 4 NAG ? C2 1
HETATM 76 C C3 . NAG A 1 . ? 18.070 23.100 33.800 1.00 0.00 ? 4 NAG ? C3 1
HETATM 77 C C4 . NAG A 1 . ? 16.960 24.020 34.400 1.00 0.00 ? 4 NAG ? C4 1
HETATM 78 C C5 . NAG A 1 . ? 15.980 24.570 33.220 1.00 0.00 ? 4 NAG ? C5 1
HETATM 79 C C6 . NAG A 1 . ? 14.850 25.500 33.700 1.00 0.00 ? 4 NAG ? C6 1
HETATM 80 N N2 . NAG A 1 . ? 19.830 23.040 32.140 1.00 0.00 ? 4 NAG ? N2 1
HETATM 81 O O3 . NAG A 1 . ? 19.080 22.790 34.870 1.00 0.00 ? 4 NAG ? O3 1
HETATM 82 O O4 . NAG A 1 . ? 16.140 23.270 35.330 1.00 0.00 ? 4 NAG ? O4 1
HETATM 83 O O5 . NAG A 1 . ? 16.850 25.240 32.270 1.00 0.00 ? 4 NAG ? O5 1
HETATM 84 O O6 . NAG A 1 . ? 13.890 25.800 32.670 1.00 0.00 ? 4 NAG ? O6 1
HETATM 85 H H1 . NAG A 1 . ? 17.420 23.530 31.100 1.00 0.00 ? 4 NAG ? H1 1
HETATM 86 H H2 . NAG A 1 . ? 19.210 24.760 33.190 1.00 0.00 ? 4 NAG ? H2 1
HETATM 87 H H3 . NAG A 1 . ? 17.530 22.260 33.380 1.00 0.00 ? 4 NAG ? H3 1
HETATM 88 H H4 . NAG A 1 . ? 17.360 24.900 34.900 1.00 0.00 ? 4 NAG ? H4 1
HETATM 89 H H5 . NAG A 1 . ? 15.540 23.680 32.760 1.00 0.00 ? 4 NAG ? H5 1
HETATM 90 H H61 . NAG A 1 . ? 14.290 25.080 34.530 1.00 0.00 ? 4 NAG ? H61 1
HETATM 91 H H62 . NAG A 1 . ? 15.280 26.450 34.020 1.00 0.00 ? 4 NAG ? H62 1
HETATM 92 H H6O . NAG A 1 . ? 13.040 25.520 33.020 1.00 0.00 ? 4 NAG ? H6O 1
HETATM 93 H H4O . NAG A 1 . ? 16.550 23.290 36.190 1.00 0.00 ? 4 NAG ? H4O 1
HETATM 94 H H2N . NAG A 1 . ? 19.440 22.320 31.540 1.00 0.00 ? 4 NAG ? H2N 1
HETATM 95 C C2N . NAG A 1 . ? 21.050 23.540 32.050 1.00 0.00 ? 4 NAG ? C2N 1
HETATM 96 O O2N . NAG A 1 . ? 21.750 23.880 33.000 1.00 0.00 ? 4 NAG ? O2N 1
HETATM 97 C CME . NAG A 1 . ? 21.690 23.450 30.660 1.00 0.00 ? 4 NAG ? CME 1
HETATM 98 H H3M . NAG A 1 . ? 22.030 22.480 30.290 1.00 0.00 ? 4 NAG ? H3M 1
HETATM 99 H H2M . NAG A 1 . ? 21.020 23.810 29.890 1.00 0.00 ? 4 NAG ? H2M 1
HETATM 100 H H1M . NAG A 1 . ? 22.540 24.130 30.590 1.00 0.00 ? 4 NAG ? H1M 1
HETATM 101 C C1 . GAL A 1 . ? 19.140 21.350 35.110 1.00 0.00 ? 5 GAL ? C1 1
HETATM 102 C C2 . GAL A 1 . ? 20.510 21.210 35.820 1.00 0.00 ? 5 GAL ? C2 1
HETATM 103 C C3 . GAL A 1 . ? 20.590 19.910 36.630 1.00 0.00 ? 5 GAL ? C3 1
HETATM 104 C C4 . GAL A 1 . ? 19.420 19.790 37.530 1.00 0.00 ? 5 GAL ? C4 1
HETATM 105 C C5 . GAL A 1 . ? 18.080 19.680 36.750 1.00 0.00 ? 5 GAL ? C5 1
HETATM 106 C C6 . GAL A 1 . ? 16.960 19.510 37.750 1.00 0.00 ? 5 GAL ? C6 1
HETATM 107 O O2 . GAL A 1 . ? 21.560 21.320 34.820 1.00 0.00 ? 5 GAL ? O2 1
HETATM 108 O O3 . GAL A 1 . ? 21.860 19.830 37.350 1.00 0.00 ? 5 GAL ? O3 1
HETATM 109 O O4 . GAL A 1 . ? 19.270 20.950 38.460 1.00 0.00 ? 5 GAL ? O4 1
HETATM 110 O O5 . GAL A 1 . ? 17.960 20.980 36.040 1.00 0.00 ? 5 GAL ? O5 1
HETATM 111 O O6 . GAL A 1 . ? 15.800 19.170 36.970 1.00 0.00 ? 5 GAL ? O6 1
HETATM 112 H H1 . GAL A 1 . ? 19.070 20.730 34.210 1.00 0.00 ? 5 GAL ? H1 1
HETATM 113 H H2 . GAL A 1 . ? 20.610 22.110 36.440 1.00 0.00 ? 5 GAL ? H2 1
HETATM 114 H H3 . GAL A 1 . ? 20.590 19.090 35.910 1.00 0.00 ? 5 GAL ? H3 1
HETATM 115 H H4 . GAL A 1 . ? 19.440 18.860 38.100 1.00 0.00 ? 5 GAL ? H4 1
HETATM 116 H H5 . GAL A 1 . ? 18.120 18.840 36.060 1.00 0.00 ? 5 GAL ? H5 1
HETATM 117 H H61 . GAL A 1 . ? 17.100 18.670 38.440 1.00 0.00 ? 5 GAL ? H61 1
HETATM 118 H H62 . GAL A 1 . ? 16.780 20.490 38.180 1.00 0.00 ? 5 GAL ? H62 1
HETATM 119 H H6O . GAL A 1 . ? 15.770 19.900 36.350 1.00 0.00 ? 5 GAL ? H6O 1
HETATM 120 H H4O . GAL A 1 . ? 20.190 21.040 38.740 1.00 0.00 ? 5 GAL ? H4O 1
HETATM 121 H H3O . GAL A 1 . ? 22.580 19.800 36.720 1.00 0.00 ? 5 GAL ? H3O 1
HETATM 122 H H2O . GAL A 1 . ? 21.780 22.250 34.740 1.00 0.00 ? 5 GAL ? H2O 1
HETATM 123 C C1 . FUC A 1 . ? 19.550 24.400 23.170 1.00 0.00 ? 6 FUC ? C1 1
HETATM 124 C C2 . FUC A 1 . ? 20.260 25.770 23.310 1.00 0.00 ? 6 FUC ? C2 1
HETATM 125 C C3 . FUC A 1 . ? 20.480 26.050 24.790 1.00 0.00 ? 6 FUC ? C3 1
HETATM 126 C C4 . FUC A 1 . ? 21.250 24.890 25.490 1.00 0.00 ? 6 FUC ? C4 1
HETATM 127 C C5 . FUC A 1 . ? 20.570 23.540 25.290 1.00 0.00 ? 6 FUC ? C5 1
HETATM 128 C C6 . FUC A 1 . ? 21.260 22.270 25.750 1.00 0.00 ? 6 FUC ? C6 1
HETATM 129 O O2 . FUC A 1 . ? 19.380 26.740 22.650 1.00 0.00 ? 6 FUC ? O2 1
HETATM 130 O O3 . FUC A 1 . ? 21.130 27.260 25.130 1.00 0.00 ? 6 FUC ? O3 1
HETATM 131 O O4 . FUC A 1 . ? 22.560 24.890 24.930 1.00 0.00 ? 6 FUC ? O4 1
HETATM 132 O O5 . FUC A 1 . ? 20.460 23.470 23.840 1.00 0.00 ? 6 FUC ? O5 1
HETATM 133 H H1 . FUC A 1 . ? 19.540 24.030 22.150 1.00 0.00 ? 6 FUC ? H1 1
HETATM 134 H H2 . FUC A 1 . ? 21.220 25.720 22.790 1.00 0.00 ? 6 FUC ? H2 1
HETATM 135 H H3 . FUC A 1 . ? 19.460 26.110 25.160 1.00 0.00 ? 6 FUC ? H3 1
HETATM 136 H H4 . FUC A 1 . ? 21.380 25.050 26.560 1.00 0.00 ? 6 FUC ? H4 1
HETATM 137 H H5 . FUC A 1 . ? 19.570 23.530 25.710 1.00 0.00 ? 6 FUC ? H5 1
HETATM 138 H H61 . FUC A 1 . ? 20.740 21.340 25.560 1.00 0.00 ? 6 FUC ? H61 1
HETATM 139 H H62 . FUC A 1 . ? 21.480 22.320 26.820 1.00 0.00 ? 6 FUC ? H62 1
HETATM 140 H H63 . FUC A 1 . ? 22.170 22.180 25.160 1.00 0.00 ? 6 FUC ? H63 1
HETATM 141 H H4O . FUC A 1 . ? 23.200 24.920 25.640 1.00 0.00 ? 6 FUC ? H4O 1
HETATM 142 H H3O . FUC A 1 . ? 21.860 27.260 24.510 1.00 0.00 ? 6 FUC ? H3O 1
HETATM 143 H H2O . FUC A 1 . ? 19.570 27.570 23.090 1.00 0.00 ? 6 FUC ? H2O 1
HETATM 144 C C1 . GAL A 1 . ? 12.800 20.220 15.230 1.00 0.00 ? 7 GAL ? C1 1
HETATM 145 C C2 . GAL A 1 . ? 13.400 20.710 13.840 1.00 0.00 ? 7 GAL ? C2 1
HETATM 146 C C3 . GAL A 1 . ? 13.070 19.690 12.720 1.00 0.00 ? 7 GAL ? C3 1
HETATM 147 C C4 . GAL A 1 . ? 13.510 18.270 13.130 1.00 0.00 ? 7 GAL ? C4 1
HETATM 148 C C5 . GAL A 1 . ? 12.810 17.990 14.480 1.00 0.00 ? 7 GAL ? C5 1
HETATM 149 C C6 . GAL A 1 . ? 13.210 16.560 14.890 1.00 0.00 ? 7 GAL ? C6 1
HETATM 150 O O2 . GAL A 1 . ? 12.620 21.950 13.570 1.00 0.00 ? 7 GAL ? O2 1
HETATM 151 O O3 . GAL A 1 . ? 13.600 20.020 11.430 1.00 0.00 ? 7 GAL ? O3 1
HETATM 152 O O4 . GAL A 1 . ? 14.930 18.210 13.250 1.00 0.00 ? 7 GAL ? O4 1
HETATM 153 O O5 . GAL A 1 . ? 13.340 18.960 15.440 1.00 0.00 ? 7 GAL ? O5 1
HETATM 154 O O6 . GAL A 1 . ? 12.410 16.270 16.090 1.00 0.00 ? 7 GAL ? O6 1
HETATM 155 H H1 . GAL A 1 . ? 11.720 20.140 15.170 1.00 0.00 ? 7 GAL ? H1 1
HETATM 156 H H2 . GAL A 1 . ? 14.470 20.920 13.960 1.00 0.00 ? 7 GAL ? H2 1
HETATM 157 H H3 . GAL A 1 . ? 11.990 19.580 12.560 1.00 0.00 ? 7 GAL ? H3 1
HETATM 158 H H4 . GAL A 1 . ? 13.130 17.660 12.310 1.00 0.00 ? 7 GAL ? H4 1
HETATM 159 H H5 . GAL A 1 . ? 11.730 18.150 14.480 1.00 0.00 ? 7 GAL ? H5 1
HETATM 160 H H61 . GAL A 1 . ? 12.840 15.950 14.060 1.00 0.00 ? 7 GAL ? H61 1
HETATM 161 H H62 . GAL A 1 . ? 14.280 16.460 15.070 1.00 0.00 ? 7 GAL ? H62 1
HETATM 162 H H6O . GAL A 1 . ? 12.680 15.420 16.460 1.00 0.00 ? 7 GAL ? H6O 1
HETATM 163 H H4O . GAL A 1 . ? 15.400 18.540 12.480 1.00 0.00 ? 7 GAL ? H4O 1
HETATM 164 H H3O . GAL A 1 . ? 13.400 19.360 10.770 1.00 0.00 ? 7 GAL ? H3O 1
HETATM 165 H H2O . GAL A 1 . ? 11.730 21.650 13.370 1.00 0.00 ? 7 GAL ? H2O 1
HETATM 166 H HO1 . ROH B 2 . ? 9.650 23.540 19.650 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 167 O O1 . ROH B 2 . ? 10.580 23.620 19.440 1.00 0.00 ? 1 ROH ? O1 1
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