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)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose" 1235.105 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
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
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 ? ? ? ? ? ? ? 1.464 sing ?
covale2 covale both ? A GAL . O3 ? ? ? 1_555 A NAG . C1 ? ? ? GAL 2 ? NAG 3 1_555 ? ? ? ? ? ? ? 1.430 sing ?
covale3 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 3 ? GAL 4 1_555 ? ? ? ? ? ? ? 1.462 sing ?
covale4 covale both ? A GAL . O3 ? ? ? 1_555 A NAG . C1 ? ? ? GAL 4 ? NAG 5 1_555 ? ? ? ? ? ? ? 1.525 sing ?
covale5 covale both ? A NAG . O4 ? ? ? 1_555 A GAL . C1 ? ? ? NAG 5 ? GAL 6 1_555 ? ? ? ? ? ? ? 1.513 sing ?
covale6 covale both ? A GAL . O3 ? ? ? 1_555 A GAL . C1 ? ? ? GAL 6 ? GAL 7 1_555 ? ? ? ? ? ? ? 1.445 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 1.38
#
_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 7
_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 . 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 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 NAG 5 . NAG 5 ? NAG 6 n
A 1 GAL 6 . GAL 6 ? GAL 7 n
A 1 GAL 7 . GAL 7 ? GAL 8 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
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
#
_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 DGalpb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpa1-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 NAG C1 O1 2 GAL O3 HO3 sing ?
3 1 4 GAL C1 O1 3 NAG O4 HO4 sing ?
4 1 5 NAG C1 O1 4 GAL O3 HO3 sing ?
5 1 6 GAL C1 O1 5 NAG O4 HO4 sing ?
6 1 7 GAL C1 O1 6 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 NAG 5 n
1 GAL 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 . GLC A 1 . ? 14.360 17.500 27.200 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 14.640 16.930 25.790 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 16.050 17.370 25.390 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 16.260 18.900 25.500 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 15.760 19.430 26.880 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 15.590 21.010 26.880 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 14.560 15.500 25.940 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 16.260 16.890 23.990 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 17.700 19.170 25.440 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 14.420 18.940 27.140 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 14.710 21.400 25.800 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 15.030 17.150 27.970 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 14.070 17.340 24.960 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 16.810 16.890 26.010 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 15.670 19.380 24.720 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 16.470 19.130 27.640 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 15.140 21.350 27.820 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 16.530 21.550 26.740 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H6O . GLC A 1 . ? 13.840 21.050 25.990 1.00 0.00 ? 1 GLC ? H6O 1
HETATM 20 H H3O . GLC A 1 . ? 15.430 17.050 23.530 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 21 H H2O . GLC A 1 . ? 14.650 15.020 25.120 1.00 0.00 ? 1 GLC ? H2O 1
HETATM 22 C C1 . GAL A 1 . ? 18.210 19.870 24.260 1.00 0.00 ? 2 GAL ? C1 1
HETATM 23 C C2 . GAL A 1 . ? 19.680 20.360 24.580 1.00 0.00 ? 2 GAL ? C2 1
HETATM 24 C C3 . GAL A 1 . ? 20.370 20.900 23.330 1.00 0.00 ? 2 GAL ? C3 1
HETATM 25 C C4 . GAL A 1 . ? 20.050 20.040 22.120 1.00 0.00 ? 2 GAL ? C4 1
HETATM 26 C C5 . GAL A 1 . ? 18.600 19.700 21.930 1.00 0.00 ? 2 GAL ? C5 1
HETATM 27 C C6 . GAL A 1 . ? 18.380 18.870 20.680 1.00 0.00 ? 2 GAL ? C6 1
HETATM 28 O O2 . GAL A 1 . ? 19.520 21.450 25.570 1.00 0.00 ? 2 GAL ? O2 1
HETATM 29 O O3 . GAL A 1 . ? 21.830 21.010 23.570 1.00 0.00 ? 2 GAL ? O3 1
HETATM 30 O O4 . GAL A 1 . ? 20.770 18.760 22.330 1.00 0.00 ? 2 GAL ? O4 1
HETATM 31 O O5 . GAL A 1 . ? 18.150 19.040 23.130 1.00 0.00 ? 2 GAL ? O5 1
HETATM 32 O O6 . GAL A 1 . ? 17.110 18.190 20.860 1.00 0.00 ? 2 GAL ? O6 1
HETATM 33 H H1 . GAL A 1 . ? 17.590 20.740 24.080 1.00 0.00 ? 2 GAL ? H1 1
HETATM 34 H H2 . GAL A 1 . ? 20.260 19.580 25.070 1.00 0.00 ? 2 GAL ? H2 1
HETATM 35 H H3 . GAL A 1 . ? 20.000 21.910 23.170 1.00 0.00 ? 2 GAL ? H3 1
HETATM 36 H H4 . GAL A 1 . ? 20.530 20.530 21.270 1.00 0.00 ? 2 GAL ? H4 1
HETATM 37 H H5 . GAL A 1 . ? 18.030 20.630 21.900 1.00 0.00 ? 2 GAL ? H5 1
HETATM 38 H H61 . GAL A 1 . ? 18.430 19.560 19.830 1.00 0.00 ? 2 GAL ? H61 1
HETATM 39 H H62 . GAL A 1 . ? 19.110 18.070 20.580 1.00 0.00 ? 2 GAL ? H62 1
HETATM 40 H H6O . GAL A 1 . ? 17.010 18.290 21.810 1.00 0.00 ? 2 GAL ? H6O 1
HETATM 41 H H4O . GAL A 1 . ? 21.680 19.040 22.230 1.00 0.00 ? 2 GAL ? H4O 1
HETATM 42 H H2O . GAL A 1 . ? 18.990 21.160 26.310 1.00 0.00 ? 2 GAL ? H2O 1
HETATM 43 C C1 . NAG A 1 . ? 22.400 22.100 22.840 1.00 0.00 ? 3 NAG ? C1 1
HETATM 44 C C2 . NAG A 1 . ? 23.780 22.580 23.440 1.00 0.00 ? 3 NAG ? C2 1
HETATM 45 C C3 . NAG A 1 . ? 24.520 23.570 22.530 1.00 0.00 ? 3 NAG ? C3 1
HETATM 46 C C4 . NAG A 1 . ? 24.730 22.870 21.190 1.00 0.00 ? 3 NAG ? C4 1
HETATM 47 C C5 . NAG A 1 . ? 23.350 22.590 20.570 1.00 0.00 ? 3 NAG ? C5 1
HETATM 48 C C6 . NAG A 1 . ? 23.550 21.840 19.140 1.00 0.00 ? 3 NAG ? C6 1
HETATM 49 N N2 . NAG A 1 . ? 23.710 23.070 24.840 1.00 0.00 ? 3 NAG ? N2 1
HETATM 50 O O3 . NAG A 1 . ? 25.770 23.860 23.170 1.00 0.00 ? 3 NAG ? O3 1
HETATM 51 O O4 . NAG A 1 . ? 25.310 23.800 20.300 1.00 0.00 ? 3 NAG ? O4 1
HETATM 52 O O5 . NAG A 1 . ? 22.560 21.680 21.460 1.00 0.00 ? 3 NAG ? O5 1
HETATM 53 O O6 . NAG A 1 . ? 24.130 20.530 19.180 1.00 0.00 ? 3 NAG ? O6 1
HETATM 54 H H1 . NAG A 1 . ? 21.720 22.940 22.990 1.00 0.00 ? 3 NAG ? H1 1
HETATM 55 H H2 . NAG A 1 . ? 24.470 21.740 23.510 1.00 0.00 ? 3 NAG ? H2 1
HETATM 56 H H3 . NAG A 1 . ? 23.900 24.450 22.390 1.00 0.00 ? 3 NAG ? H3 1
HETATM 57 H H4 . NAG A 1 . ? 25.270 21.920 21.160 1.00 0.00 ? 3 NAG ? H4 1
HETATM 58 H H5 . NAG A 1 . ? 22.830 23.540 20.420 1.00 0.00 ? 3 NAG ? H5 1
HETATM 59 H H61 . NAG A 1 . ? 22.630 21.860 18.550 1.00 0.00 ? 3 NAG ? H61 1
HETATM 60 H H62 . NAG A 1 . ? 24.220 22.490 18.580 1.00 0.00 ? 3 NAG ? H62 1
HETATM 61 H H6O . NAG A 1 . ? 24.150 20.250 18.260 1.00 0.00 ? 3 NAG ? H6O 1
HETATM 62 H H3O . NAG A 1 . ? 26.320 23.090 23.050 1.00 0.00 ? 3 NAG ? H3O 1
HETATM 63 H H2N . NAG A 1 . ? 23.040 23.820 24.900 1.00 0.00 ? 3 NAG ? H2N 1
HETATM 64 C C2N . NAG A 1 . ? 23.700 22.220 25.860 1.00 0.00 ? 3 NAG ? C2N 1
HETATM 65 O O2N . NAG A 1 . ? 24.640 21.460 26.010 1.00 0.00 ? 3 NAG ? O2N 1
HETATM 66 C CME . NAG A 1 . ? 22.460 22.190 26.780 1.00 0.00 ? 3 NAG ? CME 1
HETATM 67 H H3M . NAG A 1 . ? 21.700 22.870 26.410 1.00 0.00 ? 3 NAG ? H3M 1
HETATM 68 H H2M . NAG A 1 . ? 22.140 21.160 26.610 1.00 0.00 ? 3 NAG ? H2M 1
HETATM 69 H H1M . NAG A 1 . ? 22.710 22.290 27.830 1.00 0.00 ? 3 NAG ? H1M 1
HETATM 70 C C1 . GAL A 1 . ? 26.660 23.480 19.840 1.00 0.00 ? 4 GAL ? C1 1
HETATM 71 C C2 . GAL A 1 . ? 26.990 24.420 18.690 1.00 0.00 ? 4 GAL ? C2 1
HETATM 72 C C3 . GAL A 1 . ? 28.380 24.210 18.120 1.00 0.00 ? 4 GAL ? C3 1
HETATM 73 C C4 . GAL A 1 . ? 29.470 24.100 19.170 1.00 0.00 ? 4 GAL ? C4 1
HETATM 74 C C5 . GAL A 1 . ? 29.020 23.260 20.460 1.00 0.00 ? 4 GAL ? C5 1
HETATM 75 C C6 . GAL A 1 . ? 29.950 23.390 21.710 1.00 0.00 ? 4 GAL ? C6 1
HETATM 76 O O2 . GAL A 1 . ? 26.050 24.190 17.660 1.00 0.00 ? 4 GAL ? O2 1
HETATM 77 O O3 . GAL A 1 . ? 28.660 25.440 17.290 1.00 0.00 ? 4 GAL ? O3 1
HETATM 78 O O4 . GAL A 1 . ? 29.750 25.430 19.660 1.00 0.00 ? 4 GAL ? O4 1
HETATM 79 O O5 . GAL A 1 . ? 27.680 23.640 20.960 1.00 0.00 ? 4 GAL ? O5 1
HETATM 80 O O6 . GAL A 1 . ? 29.390 22.790 22.850 1.00 0.00 ? 4 GAL ? O6 1
HETATM 81 H H1 . GAL A 1 . ? 26.740 22.450 19.470 1.00 0.00 ? 4 GAL ? H1 1
HETATM 82 H H2 . GAL A 1 . ? 26.980 25.470 18.990 1.00 0.00 ? 4 GAL ? H2 1
HETATM 83 H H3 . GAL A 1 . ? 28.440 23.290 17.530 1.00 0.00 ? 4 GAL ? H3 1
HETATM 84 H H4 . GAL A 1 . ? 30.430 23.780 18.760 1.00 0.00 ? 4 GAL ? H4 1
HETATM 85 H H5 . GAL A 1 . ? 29.050 22.240 20.070 1.00 0.00 ? 4 GAL ? H5 1
HETATM 86 H H61 . GAL A 1 . ? 30.880 22.850 21.540 1.00 0.00 ? 4 GAL ? H61 1
HETATM 87 H H62 . GAL A 1 . ? 30.050 24.440 21.990 1.00 0.00 ? 4 GAL ? H62 1
HETATM 88 H H6O . GAL A 1 . ? 28.460 22.600 22.690 1.00 0.00 ? 4 GAL ? H6O 1
HETATM 89 H H4O . GAL A 1 . ? 30.440 25.890 19.180 1.00 0.00 ? 4 GAL ? H4O 1
HETATM 90 H H2O . GAL A 1 . ? 25.170 24.400 17.980 1.00 0.00 ? 4 GAL ? H2O 1
HETATM 91 C C1 . NAG A 1 . ? 28.070 25.650 15.900 1.00 0.00 ? 5 NAG ? C1 1
HETATM 92 C C2 . NAG A 1 . ? 28.080 27.190 15.550 1.00 0.00 ? 5 NAG ? C2 1
HETATM 93 C C3 . NAG A 1 . ? 27.460 27.450 14.140 1.00 0.00 ? 5 NAG ? C3 1
HETATM 94 C C4 . NAG A 1 . ? 28.230 26.540 13.110 1.00 0.00 ? 5 NAG ? C4 1
HETATM 95 C C5 . NAG A 1 . ? 28.340 25.080 13.490 1.00 0.00 ? 5 NAG ? C5 1
HETATM 96 C C6 . NAG A 1 . ? 29.300 24.350 12.570 1.00 0.00 ? 5 NAG ? C6 1
HETATM 97 N N2 . NAG A 1 . ? 27.460 27.980 16.590 1.00 0.00 ? 5 NAG ? N2 1
HETATM 98 O O3 . NAG A 1 . ? 27.700 28.820 13.830 1.00 0.00 ? 5 NAG ? O3 1
HETATM 99 O O4 . NAG A 1 . ? 27.350 26.650 11.960 1.00 0.00 ? 5 NAG ? O4 1
HETATM 100 O O5 . NAG A 1 . ? 28.780 24.870 14.900 1.00 0.00 ? 5 NAG ? O5 1
HETATM 101 O O6 . NAG A 1 . ? 29.290 22.970 12.840 1.00 0.00 ? 5 NAG ? O6 1
HETATM 102 H H1 . NAG A 1 . ? 27.040 25.300 15.940 1.00 0.00 ? 5 NAG ? H1 1
HETATM 103 H H2 . NAG A 1 . ? 29.140 27.440 15.470 1.00 0.00 ? 5 NAG ? H2 1
HETATM 104 H H3 . NAG A 1 . ? 26.410 27.170 14.120 1.00 0.00 ? 5 NAG ? H3 1
HETATM 105 H H4 . NAG A 1 . ? 29.200 26.970 12.890 1.00 0.00 ? 5 NAG ? H4 1
HETATM 106 H H5 . NAG A 1 . ? 27.320 24.690 13.470 1.00 0.00 ? 5 NAG ? H5 1
HETATM 107 H H61 . NAG A 1 . ? 29.000 24.470 11.530 1.00 0.00 ? 5 NAG ? H61 1
HETATM 108 H H62 . NAG A 1 . ? 30.330 24.700 12.630 1.00 0.00 ? 5 NAG ? H62 1
HETATM 109 H H6O . NAG A 1 . ? 29.740 22.830 13.670 1.00 0.00 ? 5 NAG ? H6O 1
HETATM 110 H H3O . NAG A 1 . ? 28.590 29.070 13.550 1.00 0.00 ? 5 NAG ? H3O 1
HETATM 111 H H2N . NAG A 1 . ? 26.540 27.660 16.830 1.00 0.00 ? 5 NAG ? H2N 1
HETATM 112 C C2N . NAG A 1 . ? 28.200 28.340 17.680 1.00 0.00 ? 5 NAG ? C2N 1
HETATM 113 O O2N . NAG A 1 . ? 29.320 28.740 17.600 1.00 0.00 ? 5 NAG ? O2N 1
HETATM 114 C CME . NAG A 1 . ? 27.420 28.270 18.980 1.00 0.00 ? 5 NAG ? CME 1
HETATM 115 H H3M . NAG A 1 . ? 26.390 27.940 18.910 1.00 0.00 ? 5 NAG ? H3M 1
HETATM 116 H H2M . NAG A 1 . ? 27.850 27.470 19.590 1.00 0.00 ? 5 NAG ? H2M 1
HETATM 117 H H1M . NAG A 1 . ? 27.500 29.190 19.570 1.00 0.00 ? 5 NAG ? H1M 1
HETATM 118 C C1 . GAL A 1 . ? 28.030 27.140 10.700 1.00 0.00 ? 6 GAL ? C1 1
HETATM 119 C C2 . GAL A 1 . ? 27.010 26.990 9.560 1.00 0.00 ? 6 GAL ? C2 1
HETATM 120 C C3 . GAL A 1 . ? 27.350 27.780 8.270 1.00 0.00 ? 6 GAL ? C3 1
HETATM 121 C C4 . GAL A 1 . ? 27.720 29.270 8.710 1.00 0.00 ? 6 GAL ? C4 1
HETATM 122 C C5 . GAL A 1 . ? 28.880 29.320 9.700 1.00 0.00 ? 6 GAL ? C5 1
HETATM 123 C C6 . GAL A 1 . ? 29.530 30.720 10.000 1.00 0.00 ? 6 GAL ? C6 1
HETATM 124 O O2 . GAL A 1 . ? 26.960 25.620 9.140 1.00 0.00 ? 6 GAL ? O2 1
HETATM 125 O O3 . GAL A 1 . ? 26.170 27.780 7.450 1.00 0.00 ? 6 GAL ? O3 1
HETATM 126 O O4 . GAL A 1 . ? 26.540 29.780 9.340 1.00 0.00 ? 6 GAL ? O4 1
HETATM 127 O O5 . GAL A 1 . ? 28.450 28.570 10.950 1.00 0.00 ? 6 GAL ? O5 1
HETATM 128 O O6 . GAL A 1 . ? 30.080 31.200 8.780 1.00 0.00 ? 6 GAL ? O6 1
HETATM 129 H H1 . GAL A 1 . ? 28.910 26.510 10.550 1.00 0.00 ? 6 GAL ? H1 1
HETATM 130 H H2 . GAL A 1 . ? 26.090 27.390 9.990 1.00 0.00 ? 6 GAL ? H2 1
HETATM 131 H H3 . GAL A 1 . ? 28.140 27.320 7.670 1.00 0.00 ? 6 GAL ? H3 1
HETATM 132 H H4 . GAL A 1 . ? 28.020 29.890 7.870 1.00 0.00 ? 6 GAL ? H4 1
HETATM 133 H H5 . GAL A 1 . ? 29.680 28.820 9.160 1.00 0.00 ? 6 GAL ? H5 1
HETATM 134 H H61 . GAL A 1 . ? 28.870 31.490 10.400 1.00 0.00 ? 6 GAL ? H61 1
HETATM 135 H H62 . GAL A 1 . ? 30.410 30.750 10.630 1.00 0.00 ? 6 GAL ? H62 1
HETATM 136 H H6O . GAL A 1 . ? 29.390 31.640 8.280 1.00 0.00 ? 6 GAL ? H6O 1
HETATM 137 H H4O . GAL A 1 . ? 25.920 29.950 8.620 1.00 0.00 ? 6 GAL ? H4O 1
HETATM 138 H H2O . GAL A 1 . ? 26.080 25.320 9.380 1.00 0.00 ? 6 GAL ? H2O 1
HETATM 139 C C1 . GAL A 1 . ? 26.240 28.040 6.030 1.00 0.00 ? 7 GAL ? C1 1
HETATM 140 C C2 . GAL A 1 . ? 24.900 28.540 5.460 1.00 0.00 ? 7 GAL ? C2 1
HETATM 141 C C3 . GAL A 1 . ? 23.950 27.320 5.410 1.00 0.00 ? 7 GAL ? C3 1
HETATM 142 C C4 . GAL A 1 . ? 24.580 26.030 4.870 1.00 0.00 ? 7 GAL ? C4 1
HETATM 143 C C5 . GAL A 1 . ? 25.950 25.660 5.490 1.00 0.00 ? 7 GAL ? C5 1
HETATM 144 C C6 . GAL A 1 . ? 26.590 24.450 4.710 1.00 0.00 ? 7 GAL ? C6 1
HETATM 145 O O2 . GAL A 1 . ? 24.340 29.720 6.170 1.00 0.00 ? 7 GAL ? O2 1
HETATM 146 O O3 . GAL A 1 . ? 22.780 27.700 4.620 1.00 0.00 ? 7 GAL ? O3 1
HETATM 147 O O4 . GAL A 1 . ? 24.890 26.280 3.420 1.00 0.00 ? 7 GAL ? O4 1
HETATM 148 O O5 . GAL A 1 . ? 26.850 26.840 5.330 1.00 0.00 ? 7 GAL ? O5 1
HETATM 149 O O6 . GAL A 1 . ? 27.840 24.000 5.260 1.00 0.00 ? 7 GAL ? O6 1
HETATM 150 H H1 . GAL A 1 . ? 26.920 28.880 5.870 1.00 0.00 ? 7 GAL ? H1 1
HETATM 151 H H2 . GAL A 1 . ? 25.000 28.840 4.410 1.00 0.00 ? 7 GAL ? H2 1
HETATM 152 H H3 . GAL A 1 . ? 23.730 27.180 6.460 1.00 0.00 ? 7 GAL ? H3 1
HETATM 153 H H4 . GAL A 1 . ? 23.850 25.230 4.820 1.00 0.00 ? 7 GAL ? H4 1
HETATM 154 H H5 . GAL A 1 . ? 25.900 25.510 6.570 1.00 0.00 ? 7 GAL ? H5 1
HETATM 155 H H61 . GAL A 1 . ? 26.720 24.840 3.710 1.00 0.00 ? 7 GAL ? H61 1
HETATM 156 H H62 . GAL A 1 . ? 25.860 23.650 4.620 1.00 0.00 ? 7 GAL ? H62 1
HETATM 157 H H6O . GAL A 1 . ? 28.180 24.810 5.630 1.00 0.00 ? 7 GAL ? H6O 1
HETATM 158 H H4O . GAL A 1 . ? 25.700 26.800 3.370 1.00 0.00 ? 7 GAL ? H4O 1
HETATM 159 H H3O . GAL A 1 . ? 22.460 28.550 4.950 1.00 0.00 ? 7 GAL ? H3O 1
HETATM 160 H H2O . GAL A 1 . ? 24.550 30.480 5.630 1.00 0.00 ? 7 GAL ? H2O 1
HETATM 161 H HO1 . ROH B 2 . ? 13.190 16.200 27.580 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 162 O O1 . ROH B 2 . ? 13.060 17.140 27.510 1.00 0.00 ? 1 ROH ? O1 1
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