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-D-xylopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose" 960.834 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
GLC "D-saccharide, alpha linking" . alpha-D-glucopyranose "alpha-D-glucose; D-glucose; glucose" "C6 H12 O6" 180.156
ROH non-polymer . "UNKNOWN LIGAND" ? ? ?
XYS "D-saccharide, alpha linking" . alpha-D-xylopyranose "alpha-D-xylose; D-xylose; xylose; XYLOPYRANOSE" "C5 H10 O5" 150.130
#
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 . O6 ? ? ? 1_555 A GLC . C1 ? ? ? GLC 1 ? GLC 2 1_555 ? ? ? ? ? ? ? 1.443 sing ?
covale2 covale both ? A GLC . O6 ? ? ? 1_555 A GLC . C1 ? ? ? GLC 2 ? GLC 3 1_555 ? ? ? ? ? ? ? 1.477 sing ?
covale3 covale both ? A GLC . O6 ? ? ? 1_555 A GLC . C1 ? ? ? GLC 3 ? GLC 4 1_555 ? ? ? ? ? ? ? 1.466 sing ?
covale4 covale both ? A GLC . O6 ? ? ? 1_555 A GLC . C1 ? ? ? GLC 4 ? GLC 5 1_555 ? ? ? ? ? ? ? 1.452 sing ?
covale5 covale both ? A GLC . O6 ? ? ? 1_555 A XYS . C1 ? ? ? GLC 5 ? XYS 6 1_555 ? ? ? ? ? ? ? 1.489 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 1.47
#
loop_
_pdbx_validate_chiral.id
_pdbx_validate_chiral.PDB_model_num
_pdbx_validate_chiral.auth_atom_id
_pdbx_validate_chiral.label_alt_id
_pdbx_validate_chiral.auth_asym_id
_pdbx_validate_chiral.auth_comp_id
_pdbx_validate_chiral.auth_seq_id
_pdbx_validate_chiral.PDB_ins_code
_pdbx_validate_chiral.details
_pdbx_validate_chiral.omega
1 1 C1 ? . GLC 2 ? "WRONG HAND" .
2 1 C1 ? . GLC 3 ? "WRONG HAND" .
3 1 C1 ? . GLC 4 ? "WRONG HAND" .
4 1 C1 ? . GLC 5 ? "WRONG HAND" .
5 1 C1 ? . XYS 6 ? "WRONG HAND" .
#
_pdbx_unobs_or_zero_occ_atoms.id 1
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1
_pdbx_unobs_or_zero_occ_atoms.polymer_flag N
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id .
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id GLC
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 1
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ?
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id O1
_pdbx_unobs_or_zero_occ_atoms.label_alt_id ?
_pdbx_unobs_or_zero_occ_atoms.label_asym_id A
_pdbx_unobs_or_zero_occ_atoms.label_comp_id GLC
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 1
_pdbx_unobs_or_zero_occ_atoms.label_atom_id O1
#
loop_
_atom_type.symbol
C
H
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 GLC 2 . GLC 2 ? GLC 3 n
A 1 GLC 3 . GLC 3 ? GLC 4 n
A 1 GLC 4 . GLC 4 ? GLC 5 n
A 1 GLC 5 . GLC 5 ? GLC 6 n
A 1 XYS 6 . XYS 6 ? XYS 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
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
XYS "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DXylpa
XYS "COMMON NAME" GMML 1.0 a-D-xylopyranose
XYS "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Xylp
XYS "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Xyl
#
_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 DXylpa1-6DGlcpa1-6DGlcpa1-6DGlcpa1-6DGlcpa1-6DGlcpa1-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 GLC C1 O1 1 GLC O6 HO6 sing ?
2 1 3 GLC C1 O1 2 GLC O6 HO6 sing ?
3 1 4 GLC C1 O1 3 GLC O6 HO6 sing ?
4 1 5 GLC C1 O1 4 GLC O6 HO6 sing ?
5 1 6 XYS C1 O1 5 GLC 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 GLC 1 n
1 GLC 2 n
1 GLC 3 n
1 GLC 4 n
1 GLC 5 n
1 XYS 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 . ? 11.890 17.490 11.400 1.00 0.00 ? 1 GLC ? C1 1
HETATM 2 C C2 . GLC A 1 . ? 11.110 18.540 10.480 1.00 0.00 ? 1 GLC ? C2 1
HETATM 3 C C3 . GLC A 1 . ? 11.910 19.800 10.250 1.00 0.00 ? 1 GLC ? C3 1
HETATM 4 C C4 . GLC A 1 . ? 12.530 20.420 11.500 1.00 0.00 ? 1 GLC ? C4 1
HETATM 5 C C5 . GLC A 1 . ? 13.140 19.320 12.320 1.00 0.00 ? 1 GLC ? C5 1
HETATM 6 C C6 . GLC A 1 . ? 13.640 19.890 13.600 1.00 0.00 ? 1 GLC ? C6 1
HETATM 7 O O2 . GLC A 1 . ? 10.720 17.880 9.290 1.00 0.00 ? 1 GLC ? O2 1
HETATM 8 O O3 . GLC A 1 . ? 11.140 20.780 9.510 1.00 0.00 ? 1 GLC ? O3 1
HETATM 9 O O4 . GLC A 1 . ? 13.490 21.330 11.020 1.00 0.00 ? 1 GLC ? O4 1
HETATM 10 O O5 . GLC A 1 . ? 12.270 18.180 12.620 1.00 0.00 ? 1 GLC ? O5 1
HETATM 11 O O6 . GLC A 1 . ? 12.630 20.470 14.400 1.00 0.00 ? 1 GLC ? O6 1
HETATM 12 H H1 . GLC A 1 . ? 11.140 16.760 11.700 1.00 0.00 ? 1 GLC ? H1 1
HETATM 13 H H2 . GLC A 1 . ? 10.220 18.870 11.020 1.00 0.00 ? 1 GLC ? H2 1
HETATM 14 H H3 . GLC A 1 . ? 12.780 19.570 9.620 1.00 0.00 ? 1 GLC ? H3 1
HETATM 15 H H4 . GLC A 1 . ? 11.780 20.910 12.120 1.00 0.00 ? 1 GLC ? H4 1
HETATM 16 H H5 . GLC A 1 . ? 14.010 18.990 11.750 1.00 0.00 ? 1 GLC ? H5 1
HETATM 17 H H61 . GLC A 1 . ? 14.390 20.680 13.490 1.00 0.00 ? 1 GLC ? H61 1
HETATM 18 H H62 . GLC A 1 . ? 14.160 19.100 14.160 1.00 0.00 ? 1 GLC ? H62 1
HETATM 19 H H2O . GLC A 1 . ? 9.980 18.410 9.000 1.00 0.00 ? 1 GLC ? H2O 1
HETATM 20 H H3O . GLC A 1 . ? 10.360 20.990 10.040 1.00 0.00 ? 1 GLC ? H3O 1
HETATM 21 H H4O . GLC A 1 . ? 13.210 21.860 10.270 1.00 0.00 ? 1 GLC ? H4O 1
HETATM 22 C C1 . GLC A 1 . ? 13.170 20.920 15.660 1.00 0.00 ? 2 GLC ? C1 1
HETATM 23 C C2 . GLC A 1 . ? 12.330 22.070 16.120 1.00 0.00 ? 2 GLC ? C2 1
HETATM 24 C C3 . GLC A 1 . ? 12.460 22.510 17.570 1.00 0.00 ? 2 GLC ? C3 1
HETATM 25 C C4 . GLC A 1 . ? 12.770 21.390 18.550 1.00 0.00 ? 2 GLC ? C4 1
HETATM 26 C C5 . GLC A 1 . ? 13.830 20.520 17.950 1.00 0.00 ? 2 GLC ? C5 1
HETATM 27 C C6 . GLC A 1 . ? 14.400 19.350 18.850 1.00 0.00 ? 2 GLC ? C6 1
HETATM 28 O O2 . GLC A 1 . ? 12.740 23.230 15.330 1.00 0.00 ? 2 GLC ? O2 1
HETATM 29 O O3 . GLC A 1 . ? 11.260 23.170 17.970 1.00 0.00 ? 2 GLC ? O3 1
HETATM 30 O O4 . GLC A 1 . ? 13.200 21.760 19.910 1.00 0.00 ? 2 GLC ? O4 1
HETATM 31 O O5 . GLC A 1 . ? 13.410 19.900 16.700 1.00 0.00 ? 2 GLC ? O5 1
HETATM 32 O O6 . GLC A 1 . ? 15.720 18.840 18.210 1.00 0.00 ? 2 GLC ? O6 1
HETATM 33 H H1 . GLC A 1 . ? 14.140 21.360 15.440 1.00 0.00 ? 2 GLC ? H1 1
HETATM 34 H H2 . GLC A 1 . ? 11.290 21.900 15.810 1.00 0.00 ? 2 GLC ? H2 1
HETATM 35 H H3 . GLC A 1 . ? 13.180 23.330 17.650 1.00 0.00 ? 2 GLC ? H3 1
HETATM 36 H H4 . GLC A 1 . ? 11.940 20.700 18.630 1.00 0.00 ? 2 GLC ? H4 1
HETATM 37 H H5 . GLC A 1 . ? 14.660 21.170 17.670 1.00 0.00 ? 2 GLC ? H5 1
HETATM 38 H H61 . GLC A 1 . ? 14.600 19.680 19.860 1.00 0.00 ? 2 GLC ? H61 1
HETATM 39 H H62 . GLC A 1 . ? 13.730 18.540 19.120 1.00 0.00 ? 2 GLC ? H62 1
HETATM 40 H H4O . GLC A 1 . ? 14.030 22.230 19.840 1.00 0.00 ? 2 GLC ? H4O 1
HETATM 41 H H3O . GLC A 1 . ? 11.090 23.880 17.350 1.00 0.00 ? 2 GLC ? H3O 1
HETATM 42 H H2O . GLC A 1 . ? 12.170 23.320 14.560 1.00 0.00 ? 2 GLC ? H2O 1
HETATM 43 C C1 . GLC A 1 . ? 15.620 17.730 17.240 1.00 0.00 ? 3 GLC ? C1 1
HETATM 44 C C2 . GLC A 1 . ? 17.100 17.310 16.910 1.00 0.00 ? 3 GLC ? C2 1
HETATM 45 C C3 . GLC A 1 . ? 17.170 15.970 16.170 1.00 0.00 ? 3 GLC ? C3 1
HETATM 46 C C4 . GLC A 1 . ? 16.500 14.910 17.070 1.00 0.00 ? 3 GLC ? C4 1
HETATM 47 C C5 . GLC A 1 . ? 15.040 15.310 17.190 1.00 0.00 ? 3 GLC ? C5 1
HETATM 48 C C6 . GLC A 1 . ? 14.150 14.270 17.910 1.00 0.00 ? 3 GLC ? C6 1
HETATM 49 O O2 . GLC A 1 . ? 17.800 18.360 16.200 1.00 0.00 ? 3 GLC ? O2 1
HETATM 50 O O3 . GLC A 1 . ? 18.500 15.490 15.910 1.00 0.00 ? 3 GLC ? O3 1
HETATM 51 O O4 . GLC A 1 . ? 16.510 13.680 16.320 1.00 0.00 ? 3 GLC ? O4 1
HETATM 52 O O5 . GLC A 1 . ? 14.940 16.590 17.900 1.00 0.00 ? 3 GLC ? O5 1
HETATM 53 O O6 . GLC A 1 . ? 14.660 13.940 19.320 1.00 0.00 ? 3 GLC ? O6 1
HETATM 54 H H1 . GLC A 1 . ? 14.970 18.020 16.410 1.00 0.00 ? 3 GLC ? H1 1
HETATM 55 H H2 . GLC A 1 . ? 17.590 17.180 17.870 1.00 0.00 ? 3 GLC ? H2 1
HETATM 56 H H3 . GLC A 1 . ? 16.750 16.040 15.170 1.00 0.00 ? 3 GLC ? H3 1
HETATM 57 H H4 . GLC A 1 . ? 16.970 14.790 18.050 1.00 0.00 ? 3 GLC ? H4 1
HETATM 58 H H5 . GLC A 1 . ? 14.650 15.440 16.180 1.00 0.00 ? 3 GLC ? H5 1
HETATM 59 H H61 . GLC A 1 . ? 13.190 14.780 17.940 1.00 0.00 ? 3 GLC ? H61 1
HETATM 60 H H62 . GLC A 1 . ? 14.110 13.400 17.260 1.00 0.00 ? 3 GLC ? H62 1
HETATM 61 H H4O . GLC A 1 . ? 17.100 13.720 15.570 1.00 0.00 ? 3 GLC ? H4O 1
HETATM 62 H H3O . GLC A 1 . ? 19.060 16.100 15.420 1.00 0.00 ? 3 GLC ? H3O 1
HETATM 63 H H2O . GLC A 1 . ? 17.940 19.070 16.830 1.00 0.00 ? 3 GLC ? H2O 1
HETATM 64 C C1 . GLC A 1 . ? 14.430 15.050 20.250 1.00 0.00 ? 4 GLC ? C1 1
HETATM 65 C C2 . GLC A 1 . ? 13.510 14.570 21.360 1.00 0.00 ? 4 GLC ? C2 1
HETATM 66 C C3 . GLC A 1 . ? 13.320 15.720 22.430 1.00 0.00 ? 4 GLC ? C3 1
HETATM 67 C C4 . GLC A 1 . ? 14.690 16.080 22.950 1.00 0.00 ? 4 GLC ? C4 1
HETATM 68 C C5 . GLC A 1 . ? 15.480 16.650 21.770 1.00 0.00 ? 4 GLC ? C5 1
HETATM 69 C C6 . GLC A 1 . ? 16.900 17.200 22.060 1.00 0.00 ? 4 GLC ? C6 1
HETATM 70 O O2 . GLC A 1 . ? 12.200 14.210 20.850 1.00 0.00 ? 4 GLC ? O2 1
HETATM 71 O O3 . GLC A 1 . ? 12.620 15.120 23.470 1.00 0.00 ? 4 GLC ? O3 1
HETATM 72 O O4 . GLC A 1 . ? 14.600 17.140 23.920 1.00 0.00 ? 4 GLC ? O4 1
HETATM 73 O O5 . GLC A 1 . ? 15.730 15.650 20.740 1.00 0.00 ? 4 GLC ? O5 1
HETATM 74 O O6 . GLC A 1 . ? 17.650 16.360 22.940 1.00 0.00 ? 4 GLC ? O6 1
HETATM 75 H H1 . GLC A 1 . ? 13.830 15.820 19.770 1.00 0.00 ? 4 GLC ? H1 1
HETATM 76 H H2 . GLC A 1 . ? 13.980 13.720 21.870 1.00 0.00 ? 4 GLC ? H2 1
HETATM 77 H H3 . GLC A 1 . ? 12.770 16.610 22.120 1.00 0.00 ? 4 GLC ? H3 1
HETATM 78 H H4 . GLC A 1 . ? 15.180 15.190 23.360 1.00 0.00 ? 4 GLC ? H4 1
HETATM 79 H H5 . GLC A 1 . ? 14.890 17.430 21.280 1.00 0.00 ? 4 GLC ? H5 1
HETATM 80 H H61 . GLC A 1 . ? 17.360 17.470 21.110 1.00 0.00 ? 4 GLC ? H61 1
HETATM 81 H H62 . GLC A 1 . ? 16.730 18.190 22.490 1.00 0.00 ? 4 GLC ? H62 1
HETATM 82 H H4O . GLC A 1 . ? 13.770 16.990 24.380 1.00 0.00 ? 4 GLC ? H4O 1
HETATM 83 H H3O . GLC A 1 . ? 11.820 14.730 23.120 1.00 0.00 ? 4 GLC ? H3O 1
HETATM 84 H H2O . GLC A 1 . ? 12.310 13.340 20.470 1.00 0.00 ? 4 GLC ? H2O 1
HETATM 85 C C1 . GLC A 1 . ? 17.890 16.960 24.240 1.00 0.00 ? 5 GLC ? C1 1
HETATM 86 C C2 . GLC A 1 . ? 18.320 15.830 25.100 1.00 0.00 ? 5 GLC ? C2 1
HETATM 87 C C3 . GLC A 1 . ? 18.440 16.400 26.510 1.00 0.00 ? 5 GLC ? C3 1
HETATM 88 C C4 . GLC A 1 . ? 19.450 17.550 26.530 1.00 0.00 ? 5 GLC ? C4 1
HETATM 89 C C5 . GLC A 1 . ? 19.190 18.620 25.400 1.00 0.00 ? 5 GLC ? C5 1
HETATM 90 C C6 . GLC A 1 . ? 20.340 19.600 25.140 1.00 0.00 ? 5 GLC ? C6 1
HETATM 91 O O2 . GLC A 1 . ? 17.410 14.710 25.090 1.00 0.00 ? 5 GLC ? O2 1
HETATM 92 O O3 . GLC A 1 . ? 18.870 15.250 27.350 1.00 0.00 ? 5 GLC ? O3 1
HETATM 93 O O4 . GLC A 1 . ? 19.300 18.300 27.820 1.00 0.00 ? 5 GLC ? O4 1
HETATM 94 O O5 . GLC A 1 . ? 18.900 17.940 24.110 1.00 0.00 ? 5 GLC ? O5 1
HETATM 95 O O6 . GLC A 1 . ? 21.680 18.990 25.190 1.00 0.00 ? 5 GLC ? O6 1
HETATM 96 H H1 . GLC A 1 . ? 17.030 17.400 24.750 1.00 0.00 ? 5 GLC ? H1 1
HETATM 97 H H2 . GLC A 1 . ? 19.300 15.460 24.800 1.00 0.00 ? 5 GLC ? H2 1
HETATM 98 H H3 . GLC A 1 . ? 17.460 16.730 26.850 1.00 0.00 ? 5 GLC ? H3 1
HETATM 99 H H4 . GLC A 1 . ? 20.470 17.170 26.560 1.00 0.00 ? 5 GLC ? H4 1
HETATM 100 H H5 . GLC A 1 . ? 18.300 19.180 25.670 1.00 0.00 ? 5 GLC ? H5 1
HETATM 101 H H61 . GLC A 1 . ? 20.330 20.050 24.150 1.00 0.00 ? 5 GLC ? H61 1
HETATM 102 H H62 . GLC A 1 . ? 20.240 20.320 25.950 1.00 0.00 ? 5 GLC ? H62 1
HETATM 103 H H4O . GLC A 1 . ? 20.140 18.160 28.240 1.00 0.00 ? 5 GLC ? H4O 1
HETATM 104 H H3O . GLC A 1 . ? 18.410 14.470 27.030 1.00 0.00 ? 5 GLC ? H3O 1
HETATM 105 H H2O . GLC A 1 . ? 17.690 14.220 24.320 1.00 0.00 ? 5 GLC ? H2O 1
HETATM 106 C C1 . XYS A 1 . ? 22.800 19.890 25.580 1.00 0.00 ? 6 XYS ? C1 1
HETATM 107 C C2 . XYS A 1 . ? 23.770 19.050 26.330 1.00 0.00 ? 6 XYS ? C2 1
HETATM 108 C C3 . XYS A 1 . ? 24.980 19.830 26.820 1.00 0.00 ? 6 XYS ? C3 1
HETATM 109 C C4 . XYS A 1 . ? 25.600 20.480 25.550 1.00 0.00 ? 6 XYS ? C4 1
HETATM 110 C C5 . XYS A 1 . ? 24.630 21.340 24.760 1.00 0.00 ? 6 XYS ? C5 1
HETATM 111 O O2 . XYS A 1 . ? 23.120 18.300 27.470 1.00 0.00 ? 6 XYS ? O2 1
HETATM 112 O O3 . XYS A 1 . ? 26.040 19.010 27.410 1.00 0.00 ? 6 XYS ? O3 1
HETATM 113 O O4 . XYS A 1 . ? 26.770 21.240 25.790 1.00 0.00 ? 6 XYS ? O4 1
HETATM 114 O O5 . XYS A 1 . ? 23.410 20.610 24.480 1.00 0.00 ? 6 XYS ? O5 1
HETATM 115 H H1 . XYS A 1 . ? 22.470 20.510 26.410 1.00 0.00 ? 6 XYS ? H1 1
HETATM 116 H H2 . XYS A 1 . ? 24.180 18.370 25.590 1.00 0.00 ? 6 XYS ? H2 1
HETATM 117 H H3 . XYS A 1 . ? 24.560 20.570 27.500 1.00 0.00 ? 6 XYS ? H3 1
HETATM 118 H H4 . XYS A 1 . ? 26.010 19.660 24.950 1.00 0.00 ? 6 XYS ? H4 1
HETATM 119 H H5E . XYS A 1 . ? 25.130 21.610 23.830 1.00 0.00 ? 6 XYS ? H5E 1
HETATM 120 H H5A . XYS A 1 . ? 24.390 22.260 25.300 1.00 0.00 ? 6 XYS ? H5A 1
HETATM 121 H H4O . XYS A 1 . ? 27.120 21.010 26.650 1.00 0.00 ? 6 XYS ? H4O 1
HETATM 122 H H3O . XYS A 1 . ? 25.820 18.820 28.320 1.00 0.00 ? 6 XYS ? H3O 1
HETATM 123 H H2O . XYS A 1 . ? 23.800 17.710 27.790 1.00 0.00 ? 6 XYS ? H2O 1
HETATM 124 H HO1 . ROH B 2 . ? 12.960 16.640 9.790 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 125 O O1 . ROH B 2 . ? 13.030 16.870 10.720 1.00 0.00 ? 1 ROH ? O1 1
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