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)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 1056.964 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
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 GLC . O4 ? ? ? 1_555 A GAL . C1 ? ? ? GLC 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.516 sing ?
covale2 covale both ? A GAL . O2 ? ? ? 1_555 A NAG . C1 ? ? ? GAL 2 ? NAG 3 1_555 ? ? ? ? ? ? ? 1.438 sing ?
covale3 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 3 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.428 sing ?
covale4 covale both ? A GAL . O2 ? ? ? 1_555 A FUC . C1 ? ? ? GAL 4 ? FUC 5 1_555 ? ? ? ? ? ? ? 1.474 sing ?
covale5 covale both ? A GAL . O3 ? ? ? 1_555 A NGA . C1 ? ? ? GAL 4 ? NGA 6 1_555 ? ? ? ? ? ? ? 1.496 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 1.41
#
_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 NGA
_pdbx_validate_chiral.auth_seq_id 6
_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 . GLC 1 ? O1 ? A GLC 1 O1
2 1 N 1 . NAG 3 ? C7 ? A NAG 3 C7
3 1 N 1 . NAG 3 ? C8 ? A NAG 3 C8
4 1 N 1 . NAG 3 ? O7 ? A NAG 3 O7
5 1 N 1 . NGA 6 ? C7 ? A NGA 6 C7
6 1 N 1 . NGA 6 ? C8 ? A NGA 6 C8
7 1 N 1 . NGA 6 ? O7 ? A NGA 6 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 NAG 3 . NAG 3 ? NAG 4 n
A 1 GAL 4 . GAL 4 ? GAL 5 n
A 1 FUC 5 . FUC 5 ? FUC 6 n
A 1 NGA 6 . NGA 6 ? NGA 7 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
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 "LFucpa1-2[DGalpNAcb1-3]DGalpb1-4DGlcpNAcb1-2DGalpb1-4DGlcpa1-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 NAG C1 O1 2 GAL O2 HO2 sing ?
3 1 4 GAL C1 O1 3 NAG O4 HO4 sing ?
4 1 5 FUC C1 O1 4 GAL O2 HO2 sing ?
5 1 6 NGA C1 O1 4 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 GLC 1 n
1 GAL 2 n
1 NAG 3 n
1 GAL 4 n
1 FUC 5 n
1 NGA 6 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 . ? 16.000 15.800 24.890 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 16.020 16.380 23.440 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 17.440 16.840 23.070 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 18.010 17.730 24.170 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 17.990 17.170 25.590 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 18.460 18.110 26.690 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 15.670 15.500 22.370 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 17.550 17.590 21.820 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 19.440 17.850 23.820 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 16.530 16.840 25.820 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 18.020 17.500 27.890 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 16.590 14.890 25.040 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 15.370 17.250 23.390 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 18.000 15.910 22.990 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 17.550 18.710 24.300 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 18.570 16.250 25.600 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 19.520 18.330 26.830 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 17.930 19.040 26.510 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 17.120 17.260 27.650 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H3O . GLC A 1 . ? 18.470 17.800 21.670 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 21 H H2O . GLC A 1 . ? 15.890 15.990 21.580 1.00 0.00 ? 1 GLC ? H2O 1
HETATM 22 C C1 . GAL A 1 . ? 19.830 19.280 23.500 1.00 0.00 ? 2 GAL ? C1 1
HETATM 23 C C2 . GAL A 1 . ? 21.380 19.300 23.640 1.00 0.00 ? 2 GAL ? C2 1
HETATM 24 C C3 . GAL A 1 . ? 21.870 20.630 23.110 1.00 0.00 ? 2 GAL ? C3 1
HETATM 25 C C4 . GAL A 1 . ? 21.380 20.930 21.730 1.00 0.00 ? 2 GAL ? C4 1
HETATM 26 C C5 . GAL A 1 . ? 19.880 21.030 21.750 1.00 0.00 ? 2 GAL ? C5 1
HETATM 27 C C6 . GAL A 1 . ? 19.240 21.340 20.330 1.00 0.00 ? 2 GAL ? C6 1
HETATM 28 O O2 . GAL A 1 . ? 21.800 18.990 24.930 1.00 0.00 ? 2 GAL ? O2 1
HETATM 29 O O3 . GAL A 1 . ? 23.330 20.720 23.100 1.00 0.00 ? 2 GAL ? O3 1
HETATM 30 O O4 . GAL A 1 . ? 21.820 20.120 20.610 1.00 0.00 ? 2 GAL ? O4 1
HETATM 31 O O5 . GAL A 1 . ? 19.400 19.680 22.150 1.00 0.00 ? 2 GAL ? O5 1
HETATM 32 O O6 . GAL A 1 . ? 18.020 22.100 20.570 1.00 0.00 ? 2 GAL ? O6 1
HETATM 33 H H1 . GAL A 1 . ? 19.380 20.000 24.180 1.00 0.00 ? 2 GAL ? H1 1
HETATM 34 H H2 . GAL A 1 . ? 21.710 18.470 23.010 1.00 0.00 ? 2 GAL ? H2 1
HETATM 35 H H3 . GAL A 1 . ? 21.550 21.380 23.840 1.00 0.00 ? 2 GAL ? H3 1
HETATM 36 H H4 . GAL A 1 . ? 21.680 21.960 21.540 1.00 0.00 ? 2 GAL ? H4 1
HETATM 37 H H5 . GAL A 1 . ? 19.680 21.820 22.470 1.00 0.00 ? 2 GAL ? H5 1
HETATM 38 H H61 . GAL A 1 . ? 20.010 21.970 19.880 1.00 0.00 ? 2 GAL ? H61 1
HETATM 39 H H62 . GAL A 1 . ? 19.140 20.480 19.670 1.00 0.00 ? 2 GAL ? H62 1
HETATM 40 H H6O . GAL A 1 . ? 18.260 22.940 20.980 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 41 H H4O . GAL A 1 . ? 22.720 20.410 20.420 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 42 H H3O . GAL A 1 . ? 23.560 19.940 22.590 1.00 0.00 ? 2 GAL ? H3O 1
HETATM 43 C C1 . NAG A 1 . ? 22.730 17.920 25.170 1.00 0.00 ? 3 NAG ? C1 1
HETATM 44 C C2 . NAG A 1 . ? 23.100 17.880 26.680 1.00 0.00 ? 3 NAG ? C2 1
HETATM 45 C C3 . NAG A 1 . ? 23.990 16.650 27.070 1.00 0.00 ? 3 NAG ? C3 1
HETATM 46 C C4 . NAG A 1 . ? 23.400 15.390 26.510 1.00 0.00 ? 3 NAG ? C4 1
HETATM 47 C C5 . NAG A 1 . ? 23.160 15.470 24.960 1.00 0.00 ? 3 NAG ? C5 1
HETATM 48 C C6 . NAG A 1 . ? 22.430 14.200 24.520 1.00 0.00 ? 3 NAG ? C6 1
HETATM 49 N N2 . NAG A 1 . ? 23.830 19.020 27.050 1.00 0.00 ? 3 NAG ? N2 1
HETATM 50 O O3 . NAG A 1 . ? 24.150 16.470 28.510 1.00 0.00 ? 3 NAG ? O3 1
HETATM 51 O O4 . NAG A 1 . ? 24.330 14.300 26.740 1.00 0.00 ? 3 NAG ? O4 1
HETATM 52 O O5 . NAG A 1 . ? 22.230 16.660 24.700 1.00 0.00 ? 3 NAG ? O5 1
HETATM 53 O O6 . NAG A 1 . ? 22.620 14.120 23.110 1.00 0.00 ? 3 NAG ? O6 1
HETATM 54 H H1 . NAG A 1 . ? 23.610 18.170 24.580 1.00 0.00 ? 3 NAG ? H1 1
HETATM 55 H H2 . NAG A 1 . ? 22.220 17.910 27.320 1.00 0.00 ? 3 NAG ? H2 1
HETATM 56 H H3 . NAG A 1 . ? 24.950 16.930 26.640 1.00 0.00 ? 3 NAG ? H3 1
HETATM 57 H H4 . NAG A 1 . ? 22.490 15.110 27.050 1.00 0.00 ? 3 NAG ? H4 1
HETATM 58 H H5 . NAG A 1 . ? 24.090 15.660 24.430 1.00 0.00 ? 3 NAG ? H5 1
HETATM 59 H H61 . NAG A 1 . ? 22.830 13.350 25.070 1.00 0.00 ? 3 NAG ? H61 1
HETATM 60 H H62 . NAG A 1 . ? 21.380 14.260 24.820 1.00 0.00 ? 3 NAG ? H62 1
HETATM 61 H H6O . NAG A 1 . ? 22.240 14.930 22.760 1.00 0.00 ? 3 NAG ? H6O 1
HETATM 62 H H3O . NAG A 1 . ? 24.220 15.540 28.760 1.00 0.00 ? 3 NAG ? H3O 1
HETATM 63 H H2N . NAG A 1 . ? 24.730 19.170 26.610 1.00 0.00 ? 3 NAG ? H2N 1
HETATM 64 C C2N . NAG A 1 . ? 23.240 20.130 27.280 1.00 0.00 ? 3 NAG ? C2N 1
HETATM 65 O O2N . NAG A 1 . ? 22.150 20.200 27.790 1.00 0.00 ? 3 NAG ? O2N 1
HETATM 66 C CME . NAG A 1 . ? 23.950 21.390 26.840 1.00 0.00 ? 3 NAG ? CME 1
HETATM 67 H H3M . NAG A 1 . ? 23.380 22.310 26.770 1.00 0.00 ? 3 NAG ? H3M 1
HETATM 68 H H2M . NAG A 1 . ? 24.880 21.550 27.400 1.00 0.00 ? 3 NAG ? H2M 1
HETATM 69 H H1M . NAG A 1 . ? 24.340 21.240 25.830 1.00 0.00 ? 3 NAG ? H1M 1
HETATM 70 C C1 . GAL A 1 . ? 23.960 13.310 27.700 1.00 0.00 ? 4 GAL ? C1 1
HETATM 71 C C2 . GAL A 1 . ? 24.930 12.110 27.580 1.00 0.00 ? 4 GAL ? C2 1
HETATM 72 C C3 . GAL A 1 . ? 24.800 11.160 28.730 1.00 0.00 ? 4 GAL ? C3 1
HETATM 73 C C4 . GAL A 1 . ? 24.910 11.780 30.190 1.00 0.00 ? 4 GAL ? C4 1
HETATM 74 C C5 . GAL A 1 . ? 23.810 12.850 30.220 1.00 0.00 ? 4 GAL ? C5 1
HETATM 75 C C6 . GAL A 1 . ? 23.740 13.690 31.480 1.00 0.00 ? 4 GAL ? C6 1
HETATM 76 O O2 . GAL A 1 . ? 24.680 11.450 26.290 1.00 0.00 ? 4 GAL ? O2 1
HETATM 77 O O3 . GAL A 1 . ? 25.870 10.100 28.650 1.00 0.00 ? 4 GAL ? O3 1
HETATM 78 O O4 . GAL A 1 . ? 26.270 12.360 30.440 1.00 0.00 ? 4 GAL ? O4 1
HETATM 79 O O5 . GAL A 1 . ? 24.040 13.830 29.100 1.00 0.00 ? 4 GAL ? O5 1
HETATM 80 O O6 . GAL A 1 . ? 22.650 14.620 31.370 1.00 0.00 ? 4 GAL ? O6 1
HETATM 81 H H1 . GAL A 1 . ? 22.960 12.940 27.500 1.00 0.00 ? 4 GAL ? H1 1
HETATM 82 H H2 . GAL A 1 . ? 25.970 12.460 27.580 1.00 0.00 ? 4 GAL ? H2 1
HETATM 83 H H3 . GAL A 1 . ? 23.770 10.790 28.640 1.00 0.00 ? 4 GAL ? H3 1
HETATM 84 H H4 . GAL A 1 . ? 24.640 11.120 31.010 1.00 0.00 ? 4 GAL ? H4 1
HETATM 85 H H5 . GAL A 1 . ? 22.840 12.380 30.080 1.00 0.00 ? 4 GAL ? H5 1
HETATM 86 H H61 . GAL A 1 . ? 23.650 13.140 32.420 1.00 0.00 ? 4 GAL ? H61 1
HETATM 87 H H62 . GAL A 1 . ? 24.680 14.240 31.530 1.00 0.00 ? 4 GAL ? H62 1
HETATM 88 H H6O . GAL A 1 . ? 23.020 15.470 31.620 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 89 H H4O . GAL A 1 . ? 26.270 12.770 31.310 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 90 C C1 . FUC A 1 . ? 25.950 11.250 25.570 1.00 0.00 ? 5 FUC ? C1 1
HETATM 91 C C2 . FUC A 1 . ? 25.750 10.440 24.270 1.00 0.00 ? 5 FUC ? C2 1
HETATM 92 C C3 . FUC A 1 . ? 25.050 11.080 23.050 1.00 0.00 ? 5 FUC ? C3 1
HETATM 93 C C4 . FUC A 1 . ? 25.780 12.470 22.780 1.00 0.00 ? 5 FUC ? C4 1
HETATM 94 C C5 . FUC A 1 . ? 25.870 13.250 24.120 1.00 0.00 ? 5 FUC ? C5 1
HETATM 95 C C6 . FUC A 1 . ? 26.510 14.620 24.130 1.00 0.00 ? 5 FUC ? C6 1
HETATM 96 O O2 . FUC A 1 . ? 24.900 9.290 24.750 1.00 0.00 ? 5 FUC ? O2 1
HETATM 97 O O3 . FUC A 1 . ? 25.200 10.270 21.850 1.00 0.00 ? 5 FUC ? O3 1
HETATM 98 O O4 . FUC A 1 . ? 27.110 12.280 22.230 1.00 0.00 ? 5 FUC ? O4 1
HETATM 99 O O5 . FUC A 1 . ? 26.460 12.540 25.190 1.00 0.00 ? 5 FUC ? O5 1
HETATM 100 H H1 . FUC A 1 . ? 26.670 10.710 26.190 1.00 0.00 ? 5 FUC ? H1 1
HETATM 101 H H2 . FUC A 1 . ? 26.690 10.030 23.880 1.00 0.00 ? 5 FUC ? H2 1
HETATM 102 H H3 . FUC A 1 . ? 23.990 11.240 23.220 1.00 0.00 ? 5 FUC ? H3 1
HETATM 103 H H4 . FUC A 1 . ? 25.270 13.060 22.010 1.00 0.00 ? 5 FUC ? H4 1
HETATM 104 H H5 . FUC A 1 . ? 24.840 13.410 24.410 1.00 0.00 ? 5 FUC ? H5 1
HETATM 105 H H61 . FUC A 1 . ? 26.350 14.930 25.160 1.00 0.00 ? 5 FUC ? H61 1
HETATM 106 H H62 . FUC A 1 . ? 25.970 15.230 23.400 1.00 0.00 ? 5 FUC ? H62 1
HETATM 107 H H63 . FUC A 1 . ? 27.550 14.740 23.850 1.00 0.00 ? 5 FUC ? H63 1
HETATM 108 H H4O . FUC A 1 . ? 27.220 11.510 21.670 1.00 0.00 ? 5 FUC ? H4O 1
HETATM 109 H H3O . FUC A 1 . ? 24.860 9.400 22.070 1.00 0.00 ? 5 FUC ? H3O 1
HETATM 110 H H2O . FUC A 1 . ? 24.030 9.670 24.890 1.00 0.00 ? 5 FUC ? H2O 1
HETATM 111 C C1 . NGA A 1 . ? 25.410 8.800 29.230 1.00 0.00 ? 6 NGA ? C1 1
HETATM 112 C C2 . NGA A 1 . ? 26.570 8.100 30.020 1.00 0.00 ? 6 NGA ? C2 1
HETATM 113 C C3 . NGA A 1 . ? 27.490 7.510 28.900 1.00 0.00 ? 6 NGA ? C3 1
HETATM 114 C C4 . NGA A 1 . ? 26.830 6.700 27.840 1.00 0.00 ? 6 NGA ? C4 1
HETATM 115 C C5 . NGA A 1 . ? 25.580 7.370 27.230 1.00 0.00 ? 6 NGA ? C5 1
HETATM 116 C C6 . NGA A 1 . ? 24.900 6.300 26.350 1.00 0.00 ? 6 NGA ? C6 1
HETATM 117 N N2 . NGA A 1 . ? 27.300 9.090 30.810 1.00 0.00 ? 6 NGA ? N2 1
HETATM 118 O O3 . NGA A 1 . ? 28.580 6.770 29.490 1.00 0.00 ? 6 NGA ? O3 1
HETATM 119 O O4 . NGA A 1 . ? 26.480 5.600 28.580 1.00 0.00 ? 6 NGA ? O4 1
HETATM 120 O O5 . NGA A 1 . ? 24.670 7.890 28.280 1.00 0.00 ? 6 NGA ? O5 1
HETATM 121 O O6 . NGA A 1 . ? 23.970 6.960 25.490 1.00 0.00 ? 6 NGA ? O6 1
HETATM 122 H H1 . NGA A 1 . ? 24.590 8.950 29.940 1.00 0.00 ? 6 NGA ? H1 1
HETATM 123 H H2 . NGA A 1 . ? 26.160 7.310 30.640 1.00 0.00 ? 6 NGA ? H2 1
HETATM 124 H H3 . NGA A 1 . ? 27.990 8.300 28.330 1.00 0.00 ? 6 NGA ? H3 1
HETATM 125 H H4 . NGA A 1 . ? 27.580 6.460 27.100 1.00 0.00 ? 6 NGA ? H4 1
HETATM 126 H H5 . NGA A 1 . ? 26.010 8.120 26.560 1.00 0.00 ? 6 NGA ? H5 1
HETATM 127 H H61 . NGA A 1 . ? 24.490 5.450 26.910 1.00 0.00 ? 6 NGA ? H61 1
HETATM 128 H H62 . NGA A 1 . ? 25.660 5.890 25.680 1.00 0.00 ? 6 NGA ? H62 1
HETATM 129 H H6O . NGA A 1 . ? 24.400 7.730 25.100 1.00 0.00 ? 6 NGA ? H6O 1
HETATM 130 H H4O . NGA A 1 . ? 27.260 5.330 29.080 1.00 0.00 ? 6 NGA ? H4O 1
HETATM 131 H H3O . NGA A 1 . ? 29.070 7.370 30.070 1.00 0.00 ? 6 NGA ? H3O 1
HETATM 132 H H2N . NGA A 1 . ? 28.130 9.500 30.410 1.00 0.00 ? 6 NGA ? H2N 1
HETATM 133 C C2N . NGA A 1 . ? 27.030 9.390 32.040 1.00 0.00 ? 6 NGA ? C2N 1
HETATM 134 C CME . NGA A 1 . ? 28.110 10.140 32.880 1.00 0.00 ? 6 NGA ? CME 1
HETATM 135 H H3M . NGA A 1 . ? 29.110 9.960 32.470 1.00 0.00 ? 6 NGA ? H3M 1
HETATM 136 H H2M . NGA A 1 . ? 27.930 11.210 32.890 1.00 0.00 ? 6 NGA ? H2M 1
HETATM 137 H H1M . NGA A 1 . ? 28.110 9.820 33.920 1.00 0.00 ? 6 NGA ? H1M 1
HETATM 138 O O2N . NGA A 1 . ? 25.990 9.010 32.610 1.00 0.00 ? 6 NGA ? O2N 1
HETATM 139 H HO1 . ROH B 2 . ? 14.150 16.160 24.970 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 140 O O1 . ROH B 2 . ? 14.700 15.460 25.330 1.00 0.00 ? 1 ROH ? O1 1
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