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-(1-4)]beta-D-galactopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-galactopyranose" 894.823 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 . O3 ? ? ? 1_555 A GAL . C1 ? ? ? NGA 1 ? GAL 2 1_555 ? ? ? ? ? ? ? 1.401 sing ?
covale2 covale both ? A NGA . O6 ? ? ? 1_555 A NAG . C1 ? ? ? NGA 1 ? NAG 5 1_555 ? ? ? ? ? ? ? 1.464 sing ?
covale3 covale both ? A GAL . O2 ? ? ? 1_555 A FUC . C1 ? ? ? GAL 2 ? FUC 3 1_555 ? ? ? ? ? ? ? 1.497 sing ?
covale4 covale both ? A GAL . O4 ? ? ? 1_555 A GAL . C1 ? ? ? GAL 2 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.462 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 1.49
#
_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 . 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 5 ? C7 ? A NAG 5 C7
6 1 N 1 . NAG 5 ? C8 ? A NAG 5 C8
7 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 FUC 3 . FUC 3 ? FUC 4 n
A 1 GAL 4 . GAL 4 ? GAL 5 n
A 1 NAG 5 . NAG 5 ? NAG 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
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[DGalpb1-4]DGalpb1-3[DGlcpNAcb1-6]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 FUC C1 O1 2 GAL O2 HO2 sing ?
3 1 4 GAL C1 O1 2 GAL O4 HO4 sing ?
4 1 5 NAG C1 O1 1 NGA O6 HO6 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 FUC 3 n
1 GAL 4 n
1 NAG 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 . NGA A 1 . ? 19.220 12.470 31.630 1.00 0.00 ? 1 NGA ? C1 1
HETATM 2 C C2 . NGA A 1 . ? 19.110 12.740 30.130 1.00 0.00 ? 1 NGA ? C2 1
HETATM 3 C C3 . NGA A 1 . ? 20.200 11.990 29.400 1.00 0.00 ? 1 NGA ? C3 1
HETATM 4 C C4 . NGA A 1 . ? 21.530 12.340 30.060 1.00 0.00 ? 1 NGA ? C4 1
HETATM 5 C C5 . NGA A 1 . ? 21.610 12.150 31.540 1.00 0.00 ? 1 NGA ? C5 1
HETATM 6 C C6 . NGA A 1 . ? 22.990 12.560 32.070 1.00 0.00 ? 1 NGA ? C6 1
HETATM 7 N N2 . NGA A 1 . ? 17.790 12.210 29.620 1.00 0.00 ? 1 NGA ? N2 1
HETATM 8 O O3 . NGA A 1 . ? 20.240 12.250 27.920 1.00 0.00 ? 1 NGA ? O3 1
HETATM 9 O O4 . NGA A 1 . ? 21.740 13.770 29.850 1.00 0.00 ? 1 NGA ? O4 1
HETATM 10 O O5 . NGA A 1 . ? 20.490 12.860 32.230 1.00 0.00 ? 1 NGA ? O5 1
HETATM 11 O O6 . NGA A 1 . ? 22.920 12.310 33.470 1.00 0.00 ? 1 NGA ? O6 1
HETATM 12 H H1 . NGA A 1 . ? 18.450 13.100 32.080 1.00 0.00 ? 1 NGA ? H1 1
HETATM 13 H H2 . NGA A 1 . ? 19.180 13.800 29.900 1.00 0.00 ? 1 NGA ? H2 1
HETATM 14 H H3 . NGA A 1 . ? 20.200 10.930 29.630 1.00 0.00 ? 1 NGA ? H3 1
HETATM 15 H H4 . NGA A 1 . ? 22.470 11.910 29.710 1.00 0.00 ? 1 NGA ? H4 1
HETATM 16 H H5 . NGA A 1 . ? 21.460 11.080 31.660 1.00 0.00 ? 1 NGA ? H5 1
HETATM 17 H H61 . NGA A 1 . ? 23.010 13.650 32.000 1.00 0.00 ? 1 NGA ? H61 1
HETATM 18 H H62 . NGA A 1 . ? 23.750 12.070 31.450 1.00 0.00 ? 1 NGA ? H62 1
HETATM 19 H H2N . NGA A 1 . ? 17.570 11.240 29.810 1.00 0.00 ? 1 NGA ? H2N 1
HETATM 20 C C2N . NGA A 1 . ? 16.860 12.930 28.990 1.00 0.00 ? 1 NGA ? C2N 1
HETATM 21 C CME . NGA A 1 . ? 15.510 12.140 28.730 1.00 0.00 ? 1 NGA ? CME 1
HETATM 22 H H3M . NGA A 1 . ? 14.720 12.890 28.640 1.00 0.00 ? 1 NGA ? H3M 1
HETATM 23 H H2M . NGA A 1 . ? 15.610 11.860 27.680 1.00 0.00 ? 1 NGA ? H2M 1
HETATM 24 H H1M . NGA A 1 . ? 15.360 11.360 29.480 1.00 0.00 ? 1 NGA ? H1M 1
HETATM 25 O O2N . NGA A 1 . ? 17.050 14.120 28.720 1.00 0.00 ? 1 NGA ? O2N 1
HETATM 26 H H4O . NGA A 1 . ? 22.290 13.880 29.070 1.00 0.00 ? 1 NGA ? H4O 1
HETATM 27 C C1 . GAL A 1 . ? 19.860 11.150 27.140 1.00 0.00 ? 2 GAL ? C1 1
HETATM 28 C C2 . GAL A 1 . ? 19.570 11.510 25.650 1.00 0.00 ? 2 GAL ? C2 1
HETATM 29 C C3 . GAL A 1 . ? 19.120 10.230 25.010 1.00 0.00 ? 2 GAL ? C3 1
HETATM 30 C C4 . GAL A 1 . ? 20.140 9.030 25.100 1.00 0.00 ? 2 GAL ? C4 1
HETATM 31 C C5 . GAL A 1 . ? 20.400 8.810 26.650 1.00 0.00 ? 2 GAL ? C5 1
HETATM 32 C C6 . GAL A 1 . ? 21.430 7.720 26.770 1.00 0.00 ? 2 GAL ? C6 1
HETATM 33 O O2 . GAL A 1 . ? 18.480 12.490 25.650 1.00 0.00 ? 2 GAL ? O2 1
HETATM 34 O O3 . GAL A 1 . ? 18.810 10.460 23.670 1.00 0.00 ? 2 GAL ? O3 1
HETATM 35 O O4 . GAL A 1 . ? 21.390 9.480 24.470 1.00 0.00 ? 2 GAL ? O4 1
HETATM 36 O O5 . GAL A 1 . ? 20.860 10.100 27.190 1.00 0.00 ? 2 GAL ? O5 1
HETATM 37 O O6 . GAL A 1 . ? 21.610 7.450 28.220 1.00 0.00 ? 2 GAL ? O6 1
HETATM 38 H H1 . GAL A 1 . ? 18.930 10.770 27.580 1.00 0.00 ? 2 GAL ? H1 1
HETATM 39 H H2 . GAL A 1 . ? 20.480 11.840 25.150 1.00 0.00 ? 2 GAL ? H2 1
HETATM 40 H H3 . GAL A 1 . ? 18.230 9.770 25.440 1.00 0.00 ? 2 GAL ? H3 1
HETATM 41 H H4 . GAL A 1 . ? 19.800 8.100 24.660 1.00 0.00 ? 2 GAL ? H4 1
HETATM 42 H H5 . GAL A 1 . ? 19.480 8.590 27.190 1.00 0.00 ? 2 GAL ? H5 1
HETATM 43 H H61 . GAL A 1 . ? 20.940 6.800 26.460 1.00 0.00 ? 2 GAL ? H61 1
HETATM 44 H H62 . GAL A 1 . ? 22.370 7.840 26.230 1.00 0.00 ? 2 GAL ? H62 1
HETATM 45 H H6O . GAL A 1 . ? 20.710 7.270 28.510 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 46 H H3O . GAL A 1 . ? 17.850 10.550 23.670 1.00 0.00 ? 2 GAL ? H3O 1
HETATM 47 C C1 . FUC A 1 . ? 18.810 13.590 24.690 1.00 0.00 ? 3 FUC ? C1 1
HETATM 48 C C2 . FUC A 1 . ? 17.590 14.430 24.380 1.00 0.00 ? 3 FUC ? C2 1
HETATM 49 C C3 . FUC A 1 . ? 16.980 15.110 25.630 1.00 0.00 ? 3 FUC ? C3 1
HETATM 50 C C4 . FUC A 1 . ? 18.120 15.870 26.350 1.00 0.00 ? 3 FUC ? C4 1
HETATM 51 C C5 . FUC A 1 . ? 19.390 15.050 26.550 1.00 0.00 ? 3 FUC ? C5 1
HETATM 52 C C6 . FUC A 1 . ? 20.550 15.690 27.240 1.00 0.00 ? 3 FUC ? C6 1
HETATM 53 O O2 . FUC A 1 . ? 16.590 13.720 23.670 1.00 0.00 ? 3 FUC ? O2 1
HETATM 54 O O3 . FUC A 1 . ? 15.950 16.020 25.110 1.00 0.00 ? 3 FUC ? O3 1
HETATM 55 O O4 . FUC A 1 . ? 18.460 17.070 25.650 1.00 0.00 ? 3 FUC ? O4 1
HETATM 56 O O5 . FUC A 1 . ? 19.760 14.430 25.300 1.00 0.00 ? 3 FUC ? O5 1
HETATM 57 H H1 . FUC A 1 . ? 19.250 13.190 23.770 1.00 0.00 ? 3 FUC ? H1 1
HETATM 58 H H2 . FUC A 1 . ? 17.850 15.260 23.720 1.00 0.00 ? 3 FUC ? H2 1
HETATM 59 H H3 . FUC A 1 . ? 16.540 14.390 26.310 1.00 0.00 ? 3 FUC ? H3 1
HETATM 60 H H4 . FUC A 1 . ? 17.800 16.190 27.340 1.00 0.00 ? 3 FUC ? H4 1
HETATM 61 H H5 . FUC A 1 . ? 19.130 14.260 27.250 1.00 0.00 ? 3 FUC ? H5 1
HETATM 62 H H61 . FUC A 1 . ? 20.370 15.820 28.300 1.00 0.00 ? 3 FUC ? H61 1
HETATM 63 H H62 . FUC A 1 . ? 20.810 16.680 26.860 1.00 0.00 ? 3 FUC ? H62 1
HETATM 64 H H63 . FUC A 1 . ? 21.410 15.020 27.260 1.00 0.00 ? 3 FUC ? H63 1
HETATM 65 H H4O . FUC A 1 . ? 17.660 17.600 25.610 1.00 0.00 ? 3 FUC ? H4O 1
HETATM 66 H H3O . FUC A 1 . ? 15.670 16.580 25.840 1.00 0.00 ? 3 FUC ? H3O 1
HETATM 67 H H2O . FUC A 1 . ? 15.900 14.360 23.470 1.00 0.00 ? 3 FUC ? H2O 1
HETATM 68 C C1 . GAL A 1 . ? 21.950 8.500 23.540 1.00 0.00 ? 4 GAL ? C1 1
HETATM 69 C C2 . GAL A 1 . ? 23.490 8.650 23.240 1.00 0.00 ? 4 GAL ? C2 1
HETATM 70 C C3 . GAL A 1 . ? 23.760 9.860 22.300 1.00 0.00 ? 4 GAL ? C3 1
HETATM 71 C C4 . GAL A 1 . ? 22.960 9.760 21.020 1.00 0.00 ? 4 GAL ? C4 1
HETATM 72 C C5 . GAL A 1 . ? 21.440 9.710 21.420 1.00 0.00 ? 4 GAL ? C5 1
HETATM 73 C C6 . GAL A 1 . ? 20.410 9.680 20.290 1.00 0.00 ? 4 GAL ? C6 1
HETATM 74 O O2 . GAL A 1 . ? 24.110 8.830 24.510 1.00 0.00 ? 4 GAL ? O2 1
HETATM 75 O O3 . GAL A 1 . ? 25.200 9.890 21.950 1.00 0.00 ? 4 GAL ? O3 1
HETATM 76 O O4 . GAL A 1 . ? 23.310 8.590 20.240 1.00 0.00 ? 4 GAL ? O4 1
HETATM 77 O O5 . GAL A 1 . ? 21.190 8.530 22.250 1.00 0.00 ? 4 GAL ? O5 1
HETATM 78 O O6 . GAL A 1 . ? 19.140 10.080 20.780 1.00 0.00 ? 4 GAL ? O6 1
HETATM 79 H H1 . GAL A 1 . ? 21.770 7.510 23.970 1.00 0.00 ? 4 GAL ? H1 1
HETATM 80 H H2 . GAL A 1 . ? 23.790 7.680 22.850 1.00 0.00 ? 4 GAL ? H2 1
HETATM 81 H H3 . GAL A 1 . ? 23.570 10.780 22.860 1.00 0.00 ? 4 GAL ? H3 1
HETATM 82 H H4 . GAL A 1 . ? 23.140 10.690 20.480 1.00 0.00 ? 4 GAL ? H4 1
HETATM 83 H H5 . GAL A 1 . ? 21.280 10.560 22.090 1.00 0.00 ? 4 GAL ? H5 1
HETATM 84 H H61 . GAL A 1 . ? 20.480 8.750 19.730 1.00 0.00 ? 4 GAL ? H61 1
HETATM 85 H H62 . GAL A 1 . ? 20.760 10.470 19.630 1.00 0.00 ? 4 GAL ? H62 1
HETATM 86 H H6O . GAL A 1 . ? 18.960 9.690 21.640 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 87 H H4O . GAL A 1 . ? 24.210 8.780 19.960 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 88 H H3O . GAL A 1 . ? 25.710 10.320 22.640 1.00 0.00 ? 4 GAL ? H3O 1
HETATM 89 H H2O . GAL A 1 . ? 25.060 8.730 24.390 1.00 0.00 ? 4 GAL ? H2O 1
HETATM 90 C C1 . NAG A 1 . ? 23.750 11.180 33.890 1.00 0.00 ? 5 NAG ? C1 1
HETATM 91 C C2 . NAG A 1 . ? 25.050 11.500 34.480 1.00 0.00 ? 5 NAG ? C2 1
HETATM 92 C C3 . NAG A 1 . ? 25.740 10.200 35.070 1.00 0.00 ? 5 NAG ? C3 1
HETATM 93 C C4 . NAG A 1 . ? 24.770 9.350 35.890 1.00 0.00 ? 5 NAG ? C4 1
HETATM 94 C C5 . NAG A 1 . ? 23.470 9.120 35.290 1.00 0.00 ? 5 NAG ? C5 1
HETATM 95 C C6 . NAG A 1 . ? 22.430 8.450 36.140 1.00 0.00 ? 5 NAG ? C6 1
HETATM 96 N N2 . NAG A 1 . ? 25.920 12.150 33.550 1.00 0.00 ? 5 NAG ? N2 1
HETATM 97 O O3 . NAG A 1 . ? 26.930 10.440 35.850 1.00 0.00 ? 5 NAG ? O3 1
HETATM 98 O O4 . NAG A 1 . ? 25.470 8.130 36.130 1.00 0.00 ? 5 NAG ? O4 1
HETATM 99 O O5 . NAG A 1 . ? 22.960 10.430 34.880 1.00 0.00 ? 5 NAG ? O5 1
HETATM 100 O O6 . NAG A 1 . ? 21.130 8.600 35.490 1.00 0.00 ? 5 NAG ? O6 1
HETATM 101 H H1 . NAG A 1 . ? 23.970 10.500 33.060 1.00 0.00 ? 5 NAG ? H1 1
HETATM 102 H H2 . NAG A 1 . ? 24.930 12.150 35.350 1.00 0.00 ? 5 NAG ? H2 1
HETATM 103 H H3 . NAG A 1 . ? 26.010 9.610 34.200 1.00 0.00 ? 5 NAG ? H3 1
HETATM 104 H H4 . NAG A 1 . ? 24.560 9.770 36.870 1.00 0.00 ? 5 NAG ? H4 1
HETATM 105 H H5 . NAG A 1 . ? 23.690 8.560 34.380 1.00 0.00 ? 5 NAG ? H5 1
HETATM 106 H H61 . NAG A 1 . ? 22.690 7.390 36.160 1.00 0.00 ? 5 NAG ? H61 1
HETATM 107 H H62 . NAG A 1 . ? 22.270 8.810 37.150 1.00 0.00 ? 5 NAG ? H62 1
HETATM 108 H H6O . NAG A 1 . ? 20.950 9.520 35.330 1.00 0.00 ? 5 NAG ? H6O 1
HETATM 109 H H4O . NAG A 1 . ? 26.140 8.200 36.810 1.00 0.00 ? 5 NAG ? H4O 1
HETATM 110 H H3O . NAG A 1 . ? 27.660 9.880 35.580 1.00 0.00 ? 5 NAG ? H3O 1
HETATM 111 H H2N . NAG A 1 . ? 26.640 11.660 33.040 1.00 0.00 ? 5 NAG ? H2N 1
HETATM 112 C C2N . NAG A 1 . ? 25.730 13.410 33.310 1.00 0.00 ? 5 NAG ? C2N 1
HETATM 113 O O2N . NAG A 1 . ? 25.070 14.080 34.040 1.00 0.00 ? 5 NAG ? O2N 1
HETATM 114 C CME . NAG A 1 . ? 26.400 13.970 32.070 1.00 0.00 ? 5 NAG ? CME 1
HETATM 115 H H3M . NAG A 1 . ? 25.820 13.610 31.220 1.00 0.00 ? 5 NAG ? H3M 1
HETATM 116 H H2M . NAG A 1 . ? 26.270 15.050 32.000 1.00 0.00 ? 5 NAG ? H2M 1
HETATM 117 H H1M . NAG A 1 . ? 27.390 13.560 31.870 1.00 0.00 ? 5 NAG ? H1M 1
HETATM 118 H HO1 . ROH B 2 . ? 18.200 10.920 32.490 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 119 O O1 . ROH B 2 . ? 18.940 11.030 31.880 1.00 0.00 ? 1 ROH ? O1 1
#