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-glucopyranose-(1-3)-alpha-L-rhamnopyranose-(1-2)-alpha-L-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose" 821.771 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
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
RAM "L-saccharide, alpha linking" . alpha-L-rhamnopyranose "alpha-L-rhamnose; 6-deoxy-alpha-L-mannopyranose; L-rhamnose; rhamnose" "C6 H12 O5" 164.156
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 NAG . O3 ? ? ? 1_555 A RAM . C1 ? ? ? NAG 1 ? RAM 2 1_555 ? ? ? ? ? ? ? 1.502 sing ?
covale2 covale both ? A RAM . O3 ? ? ? 1_555 A RAM . C1 ? ? ? RAM 2 ? RAM 3 1_555 ? ? ? ? ? ? ? 1.481 sing ?
covale3 covale both ? A RAM . O2 ? ? ? 1_555 A RAM . C1 ? ? ? RAM 3 ? RAM 4 1_555 ? ? ? ? ? ? ? 1.475 sing ?
covale4 covale both ? A RAM . O3 ? ? ? 1_555 A GLC . C1 ? ? ? RAM 4 ? GLC 5 1_555 ? ? ? ? ? ? ? 1.542 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 NAG
_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
#
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 . NAG 1 ? C7 ? A NAG 1 C7
2 1 N 1 . NAG 1 ? C8 ? A NAG 1 C8
3 1 N 1 . NAG 1 ? O1 ? A NAG 1 O1
4 1 N 1 . NAG 1 ? O7 ? A NAG 1 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 NAG 1 . NAG 1 ? NAG 2 n
A 1 RAM 2 . RAM 2 ? RAM 3 n
A 1 RAM 3 . RAM 3 ? RAM 4 n
A 1 RAM 4 . RAM 4 ? RAM 5 n
A 1 GLC 5 . GLC 5 ? GLC 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
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
RAM "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LRhapa
RAM "COMMON NAME" GMML 1.0 a-L-rhamnopyranose
RAM "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Rhap
RAM "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Rha
#
_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 DGlcpa1-3LRhapa1-2LRhapa1-3LRhapa1-3DGlcpNAcb1-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 RAM C1 O1 1 NAG O3 HO3 sing ?
2 1 3 RAM C1 O1 2 RAM O3 HO3 sing ?
3 1 4 RAM C1 O1 3 RAM O2 HO2 sing ?
4 1 5 GLC C1 O1 4 RAM 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 NAG 1 n
1 RAM 2 n
1 RAM 3 n
1 RAM 4 n
1 GLC 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 . NAG A 1 . ? 16.550 24.240 24.670 1.00 0.00 ? 1 NAG ? C1 1
HETATM 2 C C2 . NAG A 1 . ? 17.330 23.250 23.760 1.00 0.00 ? 1 NAG ? C2 1
HETATM 3 C C3 . NAG A 1 . ? 18.810 23.220 24.160 1.00 0.00 ? 1 NAG ? C3 1
HETATM 4 C C4 . NAG A 1 . ? 19.430 24.650 24.260 1.00 0.00 ? 1 NAG ? C4 1
HETATM 5 C C5 . NAG A 1 . ? 18.630 25.450 25.340 1.00 0.00 ? 1 NAG ? C5 1
HETATM 6 C C6 . NAG A 1 . ? 19.110 26.890 25.580 1.00 0.00 ? 1 NAG ? C6 1
HETATM 7 N N2 . NAG A 1 . ? 16.740 21.970 23.960 1.00 0.00 ? 1 NAG ? N2 1
HETATM 8 O O3 . NAG A 1 . ? 19.460 22.540 22.980 1.00 0.00 ? 1 NAG ? O3 1
HETATM 9 O O4 . NAG A 1 . ? 20.820 24.540 24.640 1.00 0.00 ? 1 NAG ? O4 1
HETATM 10 O O5 . NAG A 1 . ? 17.300 25.500 24.760 1.00 0.00 ? 1 NAG ? O5 1
HETATM 11 O O6 . NAG A 1 . ? 18.280 27.480 26.630 1.00 0.00 ? 1 NAG ? O6 1
HETATM 12 H H1 . NAG A 1 . ? 16.320 23.880 25.670 1.00 0.00 ? 1 NAG ? H1 1
HETATM 13 H H2 . NAG A 1 . ? 17.230 23.620 22.740 1.00 0.00 ? 1 NAG ? H2 1
HETATM 14 H H3 . NAG A 1 . ? 19.050 22.690 25.090 1.00 0.00 ? 1 NAG ? H3 1
HETATM 15 H H4 . NAG A 1 . ? 19.430 25.190 23.310 1.00 0.00 ? 1 NAG ? H4 1
HETATM 16 H H5 . NAG A 1 . ? 18.600 24.960 26.310 1.00 0.00 ? 1 NAG ? H5 1
HETATM 17 H H61 . NAG A 1 . ? 20.060 26.780 26.100 1.00 0.00 ? 1 NAG ? H61 1
HETATM 18 H H62 . NAG A 1 . ? 19.080 27.590 24.750 1.00 0.00 ? 1 NAG ? H62 1
HETATM 19 H H6O . NAG A 1 . ? 18.570 28.400 26.670 1.00 0.00 ? 1 NAG ? H6O 1
HETATM 20 H H4O . NAG A 1 . ? 21.130 23.720 24.260 1.00 0.00 ? 1 NAG ? H4O 1
HETATM 21 H H2N . NAG A 1 . ? 16.580 21.650 24.900 1.00 0.00 ? 1 NAG ? H2N 1
HETATM 22 C C2N . NAG A 1 . ? 16.520 21.130 22.980 1.00 0.00 ? 1 NAG ? C2N 1
HETATM 23 O O2N . NAG A 1 . ? 16.650 21.450 21.760 1.00 0.00 ? 1 NAG ? O2N 1
HETATM 24 C CME . NAG A 1 . ? 16.210 19.650 23.390 1.00 0.00 ? 1 NAG ? CME 1
HETATM 25 H H3M . NAG A 1 . ? 15.450 19.140 22.800 1.00 0.00 ? 1 NAG ? H3M 1
HETATM 26 H H2M . NAG A 1 . ? 17.130 19.090 23.290 1.00 0.00 ? 1 NAG ? H2M 1
HETATM 27 H H1M . NAG A 1 . ? 15.860 19.610 24.420 1.00 0.00 ? 1 NAG ? H1M 1
HETATM 28 C C1 . RAM A 1 . ? 20.410 21.440 23.360 1.00 0.00 ? 2 RAM ? C1 1
HETATM 29 C C2 . RAM A 1 . ? 20.400 20.340 22.240 1.00 0.00 ? 2 RAM ? C2 1
HETATM 30 C C3 . RAM A 1 . ? 21.060 20.880 21.000 1.00 0.00 ? 2 RAM ? C3 1
HETATM 31 C C4 . RAM A 1 . ? 22.490 21.500 21.200 1.00 0.00 ? 2 RAM ? C4 1
HETATM 32 C C5 . RAM A 1 . ? 22.480 22.580 22.270 1.00 0.00 ? 2 RAM ? C5 1
HETATM 33 C C6 . RAM A 1 . ? 23.740 23.180 22.830 1.00 0.00 ? 2 RAM ? C6 1
HETATM 34 O O2 . RAM A 1 . ? 21.190 19.200 22.750 1.00 0.00 ? 2 RAM ? O2 1
HETATM 35 O O3 . RAM A 1 . ? 21.310 19.720 20.120 1.00 0.00 ? 2 RAM ? O3 1
HETATM 36 O O4 . RAM A 1 . ? 22.840 22.090 19.930 1.00 0.00 ? 2 RAM ? O4 1
HETATM 37 O O5 . RAM A 1 . ? 21.800 22.070 23.460 1.00 0.00 ? 2 RAM ? O5 1
HETATM 38 H H1 . RAM A 1 . ? 20.120 21.080 24.340 1.00 0.00 ? 2 RAM ? H1 1
HETATM 39 H H2 . RAM A 1 . ? 19.400 19.940 22.080 1.00 0.00 ? 2 RAM ? H2 1
HETATM 40 H H3 . RAM A 1 . ? 20.460 21.580 20.420 1.00 0.00 ? 2 RAM ? H3 1
HETATM 41 H H4 . RAM A 1 . ? 23.190 20.720 21.520 1.00 0.00 ? 2 RAM ? H4 1
HETATM 42 H H5 . RAM A 1 . ? 21.850 23.370 21.860 1.00 0.00 ? 2 RAM ? H5 1
HETATM 43 H H61 . RAM A 1 . ? 24.160 23.820 22.050 1.00 0.00 ? 2 RAM ? H61 1
HETATM 44 H H62 . RAM A 1 . ? 24.480 22.430 23.110 1.00 0.00 ? 2 RAM ? H62 1
HETATM 45 H H63 . RAM A 1 . ? 23.560 23.770 23.730 1.00 0.00 ? 2 RAM ? H63 1
HETATM 46 H H4O . RAM A 1 . ? 22.870 21.380 19.280 1.00 0.00 ? 2 RAM ? H4O 1
HETATM 47 H H2O . RAM A 1 . ? 21.700 18.860 22.010 1.00 0.00 ? 2 RAM ? H2O 1
HETATM 48 C C1 . RAM A 1 . ? 20.240 19.460 19.130 1.00 0.00 ? 3 RAM ? C1 1
HETATM 49 C C2 . RAM A 1 . ? 20.840 18.490 18.060 1.00 0.00 ? 3 RAM ? C2 1
HETATM 50 C C3 . RAM A 1 . ? 20.690 17.020 18.590 1.00 0.00 ? 3 RAM ? C3 1
HETATM 51 C C4 . RAM A 1 . ? 19.260 16.630 18.970 1.00 0.00 ? 3 RAM ? C4 1
HETATM 52 C C5 . RAM A 1 . ? 18.750 17.610 20.080 1.00 0.00 ? 3 RAM ? C5 1
HETATM 53 C C6 . RAM A 1 . ? 17.260 17.480 20.270 1.00 0.00 ? 3 RAM ? C6 1
HETATM 54 O O2 . RAM A 1 . ? 20.020 18.650 16.860 1.00 0.00 ? 3 RAM ? O2 1
HETATM 55 O O3 . RAM A 1 . ? 21.100 16.130 17.480 1.00 0.00 ? 3 RAM ? O3 1
HETATM 56 O O4 . RAM A 1 . ? 19.210 15.410 19.680 1.00 0.00 ? 3 RAM ? O4 1
HETATM 57 O O5 . RAM A 1 . ? 18.940 18.980 19.690 1.00 0.00 ? 3 RAM ? O5 1
HETATM 58 H H1 . RAM A 1 . ? 20.080 20.440 18.680 1.00 0.00 ? 3 RAM ? H1 1
HETATM 59 H H2 . RAM A 1 . ? 21.880 18.730 17.840 1.00 0.00 ? 3 RAM ? H2 1
HETATM 60 H H3 . RAM A 1 . ? 21.370 16.790 19.420 1.00 0.00 ? 3 RAM ? H3 1
HETATM 61 H H4 . RAM A 1 . ? 18.660 16.520 18.070 1.00 0.00 ? 3 RAM ? H4 1
HETATM 62 H H5 . RAM A 1 . ? 19.260 17.340 21.000 1.00 0.00 ? 3 RAM ? H5 1
HETATM 63 H H61 . RAM A 1 . ? 16.940 18.140 21.070 1.00 0.00 ? 3 RAM ? H61 1
HETATM 64 H H62 . RAM A 1 . ? 16.870 16.480 20.440 1.00 0.00 ? 3 RAM ? H62 1
HETATM 65 H H63 . RAM A 1 . ? 16.720 17.740 19.360 1.00 0.00 ? 3 RAM ? H63 1
HETATM 66 H H4O . RAM A 1 . ? 19.330 14.630 19.140 1.00 0.00 ? 3 RAM ? H4O 1
HETATM 67 H H3O . RAM A 1 . ? 20.250 15.750 17.240 1.00 0.00 ? 3 RAM ? H3O 1
HETATM 68 C C1 . RAM A 1 . ? 20.780 19.460 15.890 1.00 0.00 ? 4 RAM ? C1 1
HETATM 69 C C2 . RAM A 1 . ? 20.000 19.190 14.580 1.00 0.00 ? 4 RAM ? C2 1
HETATM 70 C C3 . RAM A 1 . ? 18.700 20.070 14.540 1.00 0.00 ? 4 RAM ? C3 1
HETATM 71 C C4 . RAM A 1 . ? 18.960 21.510 14.920 1.00 0.00 ? 4 RAM ? C4 1
HETATM 72 C C5 . RAM A 1 . ? 19.510 21.540 16.390 1.00 0.00 ? 4 RAM ? C5 1
HETATM 73 C C6 . RAM A 1 . ? 19.880 22.960 16.960 1.00 0.00 ? 4 RAM ? C6 1
HETATM 74 O O2 . RAM A 1 . ? 20.830 19.550 13.520 1.00 0.00 ? 4 RAM ? O2 1
HETATM 75 O O3 . RAM A 1 . ? 18.260 20.110 13.170 1.00 0.00 ? 4 RAM ? O3 1
HETATM 76 O O4 . RAM A 1 . ? 17.800 22.260 14.680 1.00 0.00 ? 4 RAM ? O4 1
HETATM 77 O O5 . RAM A 1 . ? 20.780 20.840 16.310 1.00 0.00 ? 4 RAM ? O5 1
HETATM 78 H H1 . RAM A 1 . ? 21.820 19.150 15.800 1.00 0.00 ? 4 RAM ? H1 1
HETATM 79 H H2 . RAM A 1 . ? 19.800 18.130 14.450 1.00 0.00 ? 4 RAM ? H2 1
HETATM 80 H H3 . RAM A 1 . ? 17.940 19.750 15.250 1.00 0.00 ? 4 RAM ? H3 1
HETATM 81 H H4 . RAM A 1 . ? 19.720 21.860 14.220 1.00 0.00 ? 4 RAM ? H4 1
HETATM 82 H H5 . RAM A 1 . ? 18.750 21.070 17.010 1.00 0.00 ? 4 RAM ? H5 1
HETATM 83 H H61 . RAM A 1 . ? 18.950 23.380 17.340 1.00 0.00 ? 4 RAM ? H61 1
HETATM 84 H H62 . RAM A 1 . ? 20.210 23.730 16.260 1.00 0.00 ? 4 RAM ? H62 1
HETATM 85 H H63 . RAM A 1 . ? 20.560 22.980 17.820 1.00 0.00 ? 4 RAM ? H63 1
HETATM 86 H H4O . RAM A 1 . ? 17.640 22.110 13.740 1.00 0.00 ? 4 RAM ? H4O 1
HETATM 87 H H2O . RAM A 1 . ? 20.290 19.960 12.840 1.00 0.00 ? 4 RAM ? H2O 1
HETATM 88 C C1 . GLC A 1 . ? 17.110 19.130 12.860 1.00 0.00 ? 5 GLC ? C1 1
HETATM 89 C C2 . GLC A 1 . ? 17.200 18.710 11.430 1.00 0.00 ? 5 GLC ? C2 1
HETATM 90 C C3 . GLC A 1 . ? 16.790 19.790 10.480 1.00 0.00 ? 5 GLC ? C3 1
HETATM 91 C C4 . GLC A 1 . ? 15.460 20.450 10.830 1.00 0.00 ? 5 GLC ? C4 1
HETATM 92 C C5 . GLC A 1 . ? 15.310 20.890 12.300 1.00 0.00 ? 5 GLC ? C5 1
HETATM 93 C C6 . GLC A 1 . ? 13.850 21.160 12.710 1.00 0.00 ? 5 GLC ? C6 1
HETATM 94 O O2 . GLC A 1 . ? 18.530 18.230 11.160 1.00 0.00 ? 5 GLC ? O2 1
HETATM 95 O O3 . GLC A 1 . ? 16.630 19.330 9.100 1.00 0.00 ? 5 GLC ? O3 1
HETATM 96 O O4 . GLC A 1 . ? 15.220 21.580 9.940 1.00 0.00 ? 5 GLC ? O4 1
HETATM 97 O O5 . GLC A 1 . ? 15.790 19.730 13.130 1.00 0.00 ? 5 GLC ? O5 1
HETATM 98 O O6 . GLC A 1 . ? 13.800 20.960 14.160 1.00 0.00 ? 5 GLC ? O6 1
HETATM 99 H H1 . GLC A 1 . ? 17.190 18.210 13.450 1.00 0.00 ? 5 GLC ? H1 1
HETATM 100 H H2 . GLC A 1 . ? 16.510 17.880 11.290 1.00 0.00 ? 5 GLC ? H2 1
HETATM 101 H H3 . GLC A 1 . ? 17.550 20.570 10.490 1.00 0.00 ? 5 GLC ? H3 1
HETATM 102 H H4 . GLC A 1 . ? 14.680 19.710 10.670 1.00 0.00 ? 5 GLC ? H4 1
HETATM 103 H H5 . GLC A 1 . ? 15.850 21.780 12.620 1.00 0.00 ? 5 GLC ? H5 1
HETATM 104 H H61 . GLC A 1 . ? 13.180 20.520 12.130 1.00 0.00 ? 5 GLC ? H61 1
HETATM 105 H H62 . GLC A 1 . ? 13.390 22.140 12.570 1.00 0.00 ? 5 GLC ? H62 1
HETATM 106 H H6O . GLC A 1 . ? 14.650 20.540 14.280 1.00 0.00 ? 5 GLC ? H6O 1
HETATM 107 H H4O . GLC A 1 . ? 15.160 21.180 9.070 1.00 0.00 ? 5 GLC ? H4O 1
HETATM 108 H H3O . GLC A 1 . ? 17.210 19.920 8.610 1.00 0.00 ? 5 GLC ? H3O 1
HETATM 109 H H2O . GLC A 1 . ? 19.130 18.940 10.930 1.00 0.00 ? 5 GLC ? H2O 1
HETATM 110 H HO1 . ROH B 2 . ? 14.700 23.840 24.200 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 111 O O1 . ROH B 2 . ? 15.320 24.570 24.060 1.00 0.00 ? 1 ROH ? O1 1
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