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-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-galactopyranose"
1114.016 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
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 . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NGA 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.477 sing ?
covale2 covale both ? A NGA . O6 ? ? ? 1_555 A NAG . C1 ? ? ? NGA 1 ? NAG 5 1_555 ? ? ? ? ? ? ? 1.503 sing ?
covale3 covale both ? A GAL . O3 ? ? ? 1_555 A NAG . C1 ? ? ? GAL 2 ? NAG 3 1_555 ? ? ? ? ? ? ? 1.449 sing ?
covale4 covale both ? A NAG . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 3 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.480 sing ?
covale5 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 5 ? GAL 6 1_555 ? ? ? ? ? ? ? 1.454 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 1.44
#
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 3 ? C7 ? A NAG 3 C7
6 1 N 1 . NAG 3 ? C8 ? A NAG 3 C8
7 1 N 1 . NAG 3 ? O7 ? A NAG 3 O7
8 1 N 1 . NAG 5 ? C7 ? A NAG 5 C7
9 1 N 1 . NAG 5 ? C8 ? A NAG 5 C8
10 1 N 1 . NAG 5 ? O7 ? A NAG 5 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 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 NAG 5 . NAG 5 ? NAG 6 n
A 1 GAL 6 . GAL 6 ? GAL 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
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 "DGalpb1-3DGlcpNAcb1-3DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]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 GAL C1 O1 1 NGA O3 HO3 sing ?
2 1 3 NAG C1 O1 2 GAL O3 HO3 sing ?
3 1 4 GAL C1 O1 3 NAG O3 HO3 sing ?
4 1 5 NAG C1 O1 1 NGA O6 HO6 sing ?
5 1 6 GAL C1 O1 5 NAG O4 HO4 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 GAL 2 n
1 NAG 3 n
1 GAL 4 n
1 NAG 5 n
1 GAL 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 . NGA A 1 . ? 14.400 17.410 25.350 1.00 0.00 ? 1 NGA ? C1 1
HETATM 2 C C2 . NGA A 1 . ? 15.210 18.360 24.380 1.00 0.00 ? 1 NGA ? C2 1
HETATM 3 C C3 . NGA A 1 . ? 16.580 18.720 25.040 1.00 0.00 ? 1 NGA ? C3 1
HETATM 4 C C4 . NGA A 1 . ? 16.280 19.220 26.450 1.00 0.00 ? 1 NGA ? C4 1
HETATM 5 C C5 . NGA A 1 . ? 15.350 18.280 27.280 1.00 0.00 ? 1 NGA ? C5 1
HETATM 6 C C6 . NGA A 1 . ? 15.070 18.920 28.650 1.00 0.00 ? 1 NGA ? C6 1
HETATM 7 N N2 . NGA A 1 . ? 15.470 17.690 23.040 1.00 0.00 ? 1 NGA ? N2 1
HETATM 8 O O3 . NGA A 1 . ? 17.200 19.790 24.250 1.00 0.00 ? 1 NGA ? O3 1
HETATM 9 O O4 . NGA A 1 . ? 15.640 20.570 26.360 1.00 0.00 ? 1 NGA ? O4 1
HETATM 10 O O5 . NGA A 1 . ? 14.110 18.090 26.590 1.00 0.00 ? 1 NGA ? O5 1
HETATM 11 O O6 . NGA A 1 . ? 13.940 18.150 29.290 1.00 0.00 ? 1 NGA ? O6 1
HETATM 12 H H1 . NGA A 1 . ? 14.970 16.530 25.640 1.00 0.00 ? 1 NGA ? H1 1
HETATM 13 H H2 . NGA A 1 . ? 14.710 19.330 24.340 1.00 0.00 ? 1 NGA ? H2 1
HETATM 14 H H3 . NGA A 1 . ? 17.280 17.900 25.170 1.00 0.00 ? 1 NGA ? H3 1
HETATM 15 H H4 . NGA A 1 . ? 17.200 19.240 27.030 1.00 0.00 ? 1 NGA ? H4 1
HETATM 16 H H5 . NGA A 1 . ? 15.790 17.300 27.470 1.00 0.00 ? 1 NGA ? H5 1
HETATM 17 H H61 . NGA A 1 . ? 15.900 18.820 29.350 1.00 0.00 ? 1 NGA ? H61 1
HETATM 18 H H62 . NGA A 1 . ? 14.820 19.980 28.560 1.00 0.00 ? 1 NGA ? H62 1
HETATM 19 H H4O . NGA A 1 . ? 16.070 21.080 25.680 1.00 0.00 ? 1 NGA ? H4O 1
HETATM 20 H H2N . NGA A 1 . ? 15.820 16.740 23.020 1.00 0.00 ? 1 NGA ? H2N 1
HETATM 21 C C2N . NGA A 1 . ? 15.700 18.350 21.920 1.00 0.00 ? 1 NGA ? C2N 1
HETATM 22 O O2N . NGA A 1 . ? 15.600 19.560 21.830 1.00 0.00 ? 1 NGA ? O2N 1
HETATM 23 C CME . NGA A 1 . ? 16.350 17.490 20.820 1.00 0.00 ? 1 NGA ? CME 1
HETATM 24 H H3M . NGA A 1 . ? 16.610 18.180 20.020 1.00 0.00 ? 1 NGA ? H3M 1
HETATM 25 H H2M . NGA A 1 . ? 17.290 17.100 21.220 1.00 0.00 ? 1 NGA ? H2M 1
HETATM 26 H H1M . NGA A 1 . ? 15.720 16.650 20.510 1.00 0.00 ? 1 NGA ? H1M 1
HETATM 27 C C1 . GAL A 1 . ? 18.650 19.590 24.050 1.00 0.00 ? 2 GAL ? C1 1
HETATM 28 C C2 . GAL A 1 . ? 19.010 20.680 23.030 1.00 0.00 ? 2 GAL ? C2 1
HETATM 29 C C3 . GAL A 1 . ? 20.490 20.770 22.830 1.00 0.00 ? 2 GAL ? C3 1
HETATM 30 C C4 . GAL A 1 . ? 21.140 20.940 24.190 1.00 0.00 ? 2 GAL ? C4 1
HETATM 31 C C5 . GAL A 1 . ? 20.810 19.750 25.180 1.00 0.00 ? 2 GAL ? C5 1
HETATM 32 C C6 . GAL A 1 . ? 21.510 19.950 26.510 1.00 0.00 ? 2 GAL ? C6 1
HETATM 33 O O2 . GAL A 1 . ? 18.360 20.260 21.790 1.00 0.00 ? 2 GAL ? O2 1
HETATM 34 O O3 . GAL A 1 . ? 20.890 21.820 21.910 1.00 0.00 ? 2 GAL ? O3 1
HETATM 35 O O4 . GAL A 1 . ? 20.670 22.130 24.780 1.00 0.00 ? 2 GAL ? O4 1
HETATM 36 O O5 . GAL A 1 . ? 19.330 19.670 25.360 1.00 0.00 ? 2 GAL ? O5 1
HETATM 37 O O6 . GAL A 1 . ? 21.660 18.700 27.060 1.00 0.00 ? 2 GAL ? O6 1
HETATM 38 H H1 . GAL A 1 . ? 18.830 18.570 23.710 1.00 0.00 ? 2 GAL ? H1 1
HETATM 39 H H2 . GAL A 1 . ? 18.630 21.640 23.380 1.00 0.00 ? 2 GAL ? H2 1
HETATM 40 H H3 . GAL A 1 . ? 20.870 19.810 22.450 1.00 0.00 ? 2 GAL ? H3 1
HETATM 41 H H4 . GAL A 1 . ? 22.210 21.020 24.040 1.00 0.00 ? 2 GAL ? H4 1
HETATM 42 H H5 . GAL A 1 . ? 21.140 18.830 24.680 1.00 0.00 ? 2 GAL ? H5 1
HETATM 43 H H61 . GAL A 1 . ? 22.490 20.410 26.430 1.00 0.00 ? 2 GAL ? H61 1
HETATM 44 H H62 . GAL A 1 . ? 20.900 20.550 27.200 1.00 0.00 ? 2 GAL ? H62 1
HETATM 45 H H6O . GAL A 1 . ? 22.160 18.700 27.880 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 46 H H4O . GAL A 1 . ? 20.910 22.860 24.200 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 47 H H2O . GAL A 1 . ? 17.460 20.550 21.940 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 48 C C1 . NAG A 1 . ? 21.140 21.540 20.510 1.00 0.00 ? 3 NAG ? C1 1
HETATM 49 C C2 . NAG A 1 . ? 21.310 22.900 19.800 1.00 0.00 ? 3 NAG ? C2 1
HETATM 50 C C3 . NAG A 1 . ? 21.800 22.660 18.400 1.00 0.00 ? 3 NAG ? C3 1
HETATM 51 C C4 . NAG A 1 . ? 23.140 21.900 18.470 1.00 0.00 ? 3 NAG ? C4 1
HETATM 52 C C5 . NAG A 1 . ? 22.890 20.510 19.110 1.00 0.00 ? 3 NAG ? C5 1
HETATM 53 C C6 . NAG A 1 . ? 24.240 19.840 19.240 1.00 0.00 ? 3 NAG ? C6 1
HETATM 54 N N2 . NAG A 1 . ? 20.030 23.600 19.790 1.00 0.00 ? 3 NAG ? N2 1
HETATM 55 O O3 . NAG A 1 . ? 22.070 23.940 17.610 1.00 0.00 ? 3 NAG ? O3 1
HETATM 56 O O4 . NAG A 1 . ? 23.470 21.660 17.130 1.00 0.00 ? 3 NAG ? O4 1
HETATM 57 O O5 . NAG A 1 . ? 22.330 20.720 20.430 1.00 0.00 ? 3 NAG ? O5 1
HETATM 58 O O6 . NAG A 1 . ? 24.190 18.640 20.040 1.00 0.00 ? 3 NAG ? O6 1
HETATM 59 H H1 . NAG A 1 . ? 20.350 20.900 20.120 1.00 0.00 ? 3 NAG ? H1 1
HETATM 60 H H2 . NAG A 1 . ? 22.070 23.470 20.330 1.00 0.00 ? 3 NAG ? H2 1
HETATM 61 H H3 . NAG A 1 . ? 21.100 22.130 17.750 1.00 0.00 ? 3 NAG ? H3 1
HETATM 62 H H4 . NAG A 1 . ? 23.870 22.530 18.970 1.00 0.00 ? 3 NAG ? H4 1
HETATM 63 H H5 . NAG A 1 . ? 22.230 19.890 18.500 1.00 0.00 ? 3 NAG ? H5 1
HETATM 64 H H61 . NAG A 1 . ? 24.640 19.650 18.240 1.00 0.00 ? 3 NAG ? H61 1
HETATM 65 H H62 . NAG A 1 . ? 24.880 20.530 19.780 1.00 0.00 ? 3 NAG ? H62 1
HETATM 66 H H6O . NAG A 1 . ? 23.610 18.010 19.600 1.00 0.00 ? 3 NAG ? H6O 1
HETATM 67 H H4O . NAG A 1 . ? 23.340 22.450 16.610 1.00 0.00 ? 3 NAG ? H4O 1
HETATM 68 H H2N . NAG A 1 . ? 19.280 23.180 19.260 1.00 0.00 ? 3 NAG ? H2N 1
HETATM 69 C C2N . NAG A 1 . ? 19.720 24.470 20.750 1.00 0.00 ? 3 NAG ? C2N 1
HETATM 70 O O2N . NAG A 1 . ? 20.570 25.230 21.200 1.00 0.00 ? 3 NAG ? O2N 1
HETATM 71 C CME . NAG A 1 . ? 18.340 24.230 21.400 1.00 0.00 ? 3 NAG ? CME 1
HETATM 72 H H3M . NAG A 1 . ? 18.630 23.520 22.180 1.00 0.00 ? 3 NAG ? H3M 1
HETATM 73 H H2M . NAG A 1 . ? 17.970 25.120 21.910 1.00 0.00 ? 3 NAG ? H2M 1
HETATM 74 H H1M . NAG A 1 . ? 17.630 23.860 20.670 1.00 0.00 ? 3 NAG ? H1M 1
HETATM 75 C C1 . GAL A 1 . ? 21.200 24.140 16.430 1.00 0.00 ? 4 GAL ? C1 1
HETATM 76 C C2 . GAL A 1 . ? 21.520 25.630 16.080 1.00 0.00 ? 4 GAL ? C2 1
HETATM 77 C C3 . GAL A 1 . ? 20.730 26.020 14.780 1.00 0.00 ? 4 GAL ? C3 1
HETATM 78 C C4 . GAL A 1 . ? 21.170 25.050 13.620 1.00 0.00 ? 4 GAL ? C4 1
HETATM 79 C C5 . GAL A 1 . ? 20.720 23.630 14.020 1.00 0.00 ? 4 GAL ? C5 1
HETATM 80 C C6 . GAL A 1 . ? 21.020 22.600 12.920 1.00 0.00 ? 4 GAL ? C6 1
HETATM 81 O O2 . GAL A 1 . ? 21.060 26.420 17.280 1.00 0.00 ? 4 GAL ? O2 1
HETATM 82 O O3 . GAL A 1 . ? 21.020 27.410 14.340 1.00 0.00 ? 4 GAL ? O3 1
HETATM 83 O O4 . GAL A 1 . ? 22.540 25.110 13.340 1.00 0.00 ? 4 GAL ? O4 1
HETATM 84 O O5 . GAL A 1 . ? 21.410 23.240 15.250 1.00 0.00 ? 4 GAL ? O5 1
HETATM 85 O O6 . GAL A 1 . ? 20.610 21.300 13.440 1.00 0.00 ? 4 GAL ? O6 1
HETATM 86 H H1 . GAL A 1 . ? 20.180 24.110 16.830 1.00 0.00 ? 4 GAL ? H1 1
HETATM 87 H H2 . GAL A 1 . ? 22.600 25.750 15.960 1.00 0.00 ? 4 GAL ? H2 1
HETATM 88 H H3 . GAL A 1 . ? 19.650 25.900 14.840 1.00 0.00 ? 4 GAL ? H3 1
HETATM 89 H H4 . GAL A 1 . ? 20.660 25.330 12.710 1.00 0.00 ? 4 GAL ? H4 1
HETATM 90 H H5 . GAL A 1 . ? 19.640 23.660 14.180 1.00 0.00 ? 4 GAL ? H5 1
HETATM 91 H H61 . GAL A 1 . ? 20.410 22.750 12.030 1.00 0.00 ? 4 GAL ? H61 1
HETATM 92 H H62 . GAL A 1 . ? 22.080 22.590 12.640 1.00 0.00 ? 4 GAL ? H62 1
HETATM 93 H H6O . GAL A 1 . ? 21.190 21.180 14.190 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 94 H H4O . GAL A 1 . ? 22.820 25.980 13.040 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 95 H H3O . GAL A 1 . ? 20.340 27.700 13.730 1.00 0.00 ? 4 GAL ? H3O 1
HETATM 96 H H2O . GAL A 1 . ? 21.710 26.330 17.970 1.00 0.00 ? 4 GAL ? H2O 1
HETATM 97 C C1 . NAG A 1 . ? 13.310 19.010 30.350 1.00 0.00 ? 5 NAG ? C1 1
HETATM 98 C C2 . NAG A 1 . ? 11.840 18.780 30.480 1.00 0.00 ? 5 NAG ? C2 1
HETATM 99 C C3 . NAG A 1 . ? 11.290 19.720 31.560 1.00 0.00 ? 5 NAG ? C3 1
HETATM 100 C C4 . NAG A 1 . ? 12.080 19.580 32.870 1.00 0.00 ? 5 NAG ? C4 1
HETATM 101 C C5 . NAG A 1 . ? 13.610 19.600 32.730 1.00 0.00 ? 5 NAG ? C5 1
HETATM 102 C C6 . NAG A 1 . ? 14.230 18.970 34.020 1.00 0.00 ? 5 NAG ? C6 1
HETATM 103 N N2 . NAG A 1 . ? 11.140 19.100 29.240 1.00 0.00 ? 5 NAG ? N2 1
HETATM 104 O O3 . NAG A 1 . ? 9.900 19.410 31.720 1.00 0.00 ? 5 NAG ? O3 1
HETATM 105 O O4 . NAG A 1 . ? 11.720 20.790 33.630 1.00 0.00 ? 5 NAG ? O4 1
HETATM 106 O O5 . NAG A 1 . ? 13.960 18.730 31.630 1.00 0.00 ? 5 NAG ? O5 1
HETATM 107 O O6 . NAG A 1 . ? 15.680 19.140 33.880 1.00 0.00 ? 5 NAG ? O6 1
HETATM 108 H H1 . NAG A 1 . ? 13.340 20.050 30.030 1.00 0.00 ? 5 NAG ? H1 1
HETATM 109 H H2 . NAG A 1 . ? 11.640 17.740 30.750 1.00 0.00 ? 5 NAG ? H2 1
HETATM 110 H H3 . NAG A 1 . ? 11.390 20.730 31.160 1.00 0.00 ? 5 NAG ? H3 1
HETATM 111 H H4 . NAG A 1 . ? 11.850 18.650 33.400 1.00 0.00 ? 5 NAG ? H4 1
HETATM 112 H H5 . NAG A 1 . ? 13.960 20.590 32.440 1.00 0.00 ? 5 NAG ? H5 1
HETATM 113 H H61 . NAG A 1 . ? 13.840 19.300 34.980 1.00 0.00 ? 5 NAG ? H61 1
HETATM 114 H H62 . NAG A 1 . ? 14.000 17.910 33.960 1.00 0.00 ? 5 NAG ? H62 1
HETATM 115 H H6O . NAG A 1 . ? 16.140 18.540 34.470 1.00 0.00 ? 5 NAG ? H6O 1
HETATM 116 H H3O . NAG A 1 . ? 9.860 18.510 32.040 1.00 0.00 ? 5 NAG ? H3O 1
HETATM 117 H H2N . NAG A 1 . ? 11.450 19.960 28.810 1.00 0.00 ? 5 NAG ? H2N 1
HETATM 118 C C2N . NAG A 1 . ? 10.000 18.500 28.880 1.00 0.00 ? 5 NAG ? C2N 1
HETATM 119 O O2N . NAG A 1 . ? 9.780 17.350 29.200 1.00 0.00 ? 5 NAG ? O2N 1
HETATM 120 C CME . NAG A 1 . ? 8.920 19.400 28.210 1.00 0.00 ? 5 NAG ? CME 1
HETATM 121 H H3M . NAG A 1 . ? 8.020 19.140 28.770 1.00 0.00 ? 5 NAG ? H3M 1
HETATM 122 H H2M . NAG A 1 . ? 9.090 20.470 28.100 1.00 0.00 ? 5 NAG ? H2M 1
HETATM 123 H H1M . NAG A 1 . ? 8.680 19.120 27.190 1.00 0.00 ? 5 NAG ? H1M 1
HETATM 124 C C1 . GAL A 1 . ? 10.930 20.770 34.850 1.00 0.00 ? 6 GAL ? C1 1
HETATM 125 C C2 . GAL A 1 . ? 11.220 22.060 35.600 1.00 0.00 ? 6 GAL ? C2 1
HETATM 126 C C3 . GAL A 1 . ? 10.230 22.450 36.740 1.00 0.00 ? 6 GAL ? C3 1
HETATM 127 C C4 . GAL A 1 . ? 8.750 22.290 36.400 1.00 0.00 ? 6 GAL ? C4 1
HETATM 128 C C5 . GAL A 1 . ? 8.430 20.970 35.640 1.00 0.00 ? 6 GAL ? C5 1
HETATM 129 C C6 . GAL A 1 . ? 6.990 20.920 35.100 1.00 0.00 ? 6 GAL ? C6 1
HETATM 130 O O2 . GAL A 1 . ? 12.510 21.880 36.220 1.00 0.00 ? 6 GAL ? O2 1
HETATM 131 O O3 . GAL A 1 . ? 10.460 23.750 37.290 1.00 0.00 ? 6 GAL ? O3 1
HETATM 132 O O4 . GAL A 1 . ? 8.470 23.460 35.570 1.00 0.00 ? 6 GAL ? O4 1
HETATM 133 O O5 . GAL A 1 . ? 9.450 20.810 34.560 1.00 0.00 ? 6 GAL ? O5 1
HETATM 134 O O6 . GAL A 1 . ? 6.650 19.570 34.830 1.00 0.00 ? 6 GAL ? O6 1
HETATM 135 H H1 . GAL A 1 . ? 11.260 19.900 35.420 1.00 0.00 ? 6 GAL ? H1 1
HETATM 136 H H2 . GAL A 1 . ? 11.230 22.900 34.900 1.00 0.00 ? 6 GAL ? H2 1
HETATM 137 H H3 . GAL A 1 . ? 10.450 21.760 37.560 1.00 0.00 ? 6 GAL ? H3 1
HETATM 138 H H4 . GAL A 1 . ? 8.170 22.380 37.310 1.00 0.00 ? 6 GAL ? H4 1
HETATM 139 H H5 . GAL A 1 . ? 8.530 20.180 36.370 1.00 0.00 ? 6 GAL ? H5 1
HETATM 140 H H61 . GAL A 1 . ? 6.380 21.260 35.930 1.00 0.00 ? 6 GAL ? H61 1
HETATM 141 H H62 . GAL A 1 . ? 6.770 21.530 34.220 1.00 0.00 ? 6 GAL ? H62 1
HETATM 142 H H6O . GAL A 1 . ? 5.740 19.650 34.530 1.00 0.00 ? 6 GAL ? H6O 1
HETATM 143 H H4O . GAL A 1 . ? 7.870 24.020 36.070 1.00 0.00 ? 6 GAL ? H4O 1
HETATM 144 H H3O . GAL A 1 . ? 10.100 24.350 36.630 1.00 0.00 ? 6 GAL ? H3O 1
HETATM 145 H H2O . GAL A 1 . ? 12.860 22.770 36.270 1.00 0.00 ? 6 GAL ? H2O 1
HETATM 146 H HO1 . ROH B 2 . ? 13.320 16.230 24.140 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 147 O O1 . ROH B 2 . ? 13.170 16.940 24.760 1.00 0.00 ? 1 ROH ? O1 1
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