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 "2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose" 627.594 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
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 NAG . O4 ? ? ? 1_555 A NGA . C1 ? ? ? NAG 1 ? NGA 2 1_555 ? ? ? ? ? ? ? 1.492 sing ?
covale2 covale both ? A NGA . O6 ? ? ? 1_555 A NAG . C1 ? ? ? NGA 2 ? NAG 3 1_555 ? ? ? ? ? ? ? 1.478 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 1.45
#
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
5 1 N 1 . NGA 2 ? C7 ? A NGA 2 C7
6 1 N 1 . NGA 2 ? C8 ? A NGA 2 C8
7 1 N 1 . NGA 2 ? O7 ? A NGA 2 O7
8 1 N 1 . NAG 3 ? C7 ? A NAG 3 C7
9 1 N 1 . NAG 3 ? C8 ? A NAG 3 C8
10 1 N 1 . NAG 3 ? O7 ? A NAG 3 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 NGA 2 . NGA 2 ? NGA 3 n
A 1 NAG 3 . NAG 3 ? NAG 4 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
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 DGlcpNAcb1-6DGalpNAcb1-4DGlcpNAcb1-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 NGA C1 O1 1 NAG O4 HO4 sing ?
2 1 3 NAG C1 O1 2 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 NAG 1 n
1 NGA 2 n
1 NAG 3 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 . ? 21.330 18.380 13.450 1.00 0.00 ? 1 NAG ? C1 1
HETATM 2 C C2 . NAG A 1 . ? 19.960 17.760 13.410 1.00 0.00 ? 1 NAG ? C2 1
HETATM 3 C C3 . NAG A 1 . ? 19.990 16.580 12.410 1.00 0.00 ? 1 NAG ? C3 1
HETATM 4 C C4 . NAG A 1 . ? 20.660 16.940 11.050 1.00 0.00 ? 1 NAG ? C4 1
HETATM 5 C C5 . NAG A 1 . ? 21.980 17.690 11.130 1.00 0.00 ? 1 NAG ? C5 1
HETATM 6 C C6 . NAG A 1 . ? 22.540 18.240 9.850 1.00 0.00 ? 1 NAG ? C6 1
HETATM 7 N N2 . NAG A 1 . ? 19.710 17.240 14.720 1.00 0.00 ? 1 NAG ? N2 1
HETATM 8 O O3 . NAG A 1 . ? 18.630 16.210 12.140 1.00 0.00 ? 1 NAG ? O3 1
HETATM 9 O O4 . NAG A 1 . ? 20.950 15.660 10.270 1.00 0.00 ? 1 NAG ? O4 1
HETATM 10 O O5 . NAG A 1 . ? 21.720 18.770 12.040 1.00 0.00 ? 1 NAG ? O5 1
HETATM 11 O O6 . NAG A 1 . ? 21.480 18.700 9.060 1.00 0.00 ? 1 NAG ? O6 1
HETATM 12 H H1 . NAG A 1 . ? 22.010 17.630 13.860 1.00 0.00 ? 1 NAG ? H1 1
HETATM 13 H H2 . NAG A 1 . ? 19.270 18.570 13.160 1.00 0.00 ? 1 NAG ? H2 1
HETATM 14 H H3 . NAG A 1 . ? 20.410 15.700 12.890 1.00 0.00 ? 1 NAG ? H3 1
HETATM 15 H H4 . NAG A 1 . ? 19.850 17.480 10.550 1.00 0.00 ? 1 NAG ? H4 1
HETATM 16 H H5 . NAG A 1 . ? 22.770 17.110 11.610 1.00 0.00 ? 1 NAG ? H5 1
HETATM 17 H H61 . NAG A 1 . ? 23.260 19.030 10.070 1.00 0.00 ? 1 NAG ? H61 1
HETATM 18 H H62 . NAG A 1 . ? 23.120 17.540 9.230 1.00 0.00 ? 1 NAG ? H62 1
HETATM 19 H H6O . NAG A 1 . ? 21.000 19.380 9.530 1.00 0.00 ? 1 NAG ? H6O 1
HETATM 20 H H3O . NAG A 1 . ? 18.660 15.750 11.290 1.00 0.00 ? 1 NAG ? H3O 1
HETATM 21 H H2N . NAG A 1 . ? 20.270 16.430 14.970 1.00 0.00 ? 1 NAG ? H2N 1
HETATM 22 C C2N . NAG A 1 . ? 19.170 17.850 15.760 1.00 0.00 ? 1 NAG ? C2N 1
HETATM 23 O O2N . NAG A 1 . ? 18.460 18.810 15.540 1.00 0.00 ? 1 NAG ? O2N 1
HETATM 24 C CME . NAG A 1 . ? 19.350 17.190 17.110 1.00 0.00 ? 1 NAG ? CME 1
HETATM 25 H H3M . NAG A 1 . ? 18.960 16.170 17.140 1.00 0.00 ? 1 NAG ? H3M 1
HETATM 26 H H2M . NAG A 1 . ? 20.340 17.000 17.510 1.00 0.00 ? 1 NAG ? H2M 1
HETATM 27 H H1M . NAG A 1 . ? 18.890 17.810 17.880 1.00 0.00 ? 1 NAG ? H1M 1
HETATM 28 C C1 . NGA A 1 . ? 19.860 15.350 9.300 1.00 0.00 ? 2 NGA ? C1 1
HETATM 29 C C2 . NGA A 1 . ? 20.300 14.340 8.250 1.00 0.00 ? 2 NGA ? C2 1
HETATM 30 C C3 . NGA A 1 . ? 19.200 14.040 7.150 1.00 0.00 ? 2 NGA ? C3 1
HETATM 31 C C4 . NGA A 1 . ? 17.880 13.800 7.900 1.00 0.00 ? 2 NGA ? C4 1
HETATM 32 C C5 . NGA A 1 . ? 17.550 14.940 8.840 1.00 0.00 ? 2 NGA ? C5 1
HETATM 33 C C6 . NGA A 1 . ? 16.180 14.890 9.370 1.00 0.00 ? 2 NGA ? C6 1
HETATM 34 N N2 . NGA A 1 . ? 21.570 14.690 7.550 1.00 0.00 ? 2 NGA ? N2 1
HETATM 35 O O3 . NGA A 1 . ? 19.530 12.860 6.390 1.00 0.00 ? 2 NGA ? O3 1
HETATM 36 O O4 . NGA A 1 . ? 17.980 12.600 8.810 1.00 0.00 ? 2 NGA ? O4 1
HETATM 37 O O5 . NGA A 1 . ? 18.600 14.920 9.890 1.00 0.00 ? 2 NGA ? O5 1
HETATM 38 O O6 . NGA A 1 . ? 16.040 14.180 10.650 1.00 0.00 ? 2 NGA ? O6 1
HETATM 39 H H1 . NGA A 1 . ? 19.650 16.240 8.720 1.00 0.00 ? 2 NGA ? H1 1
HETATM 40 H H2 . NGA A 1 . ? 20.420 13.390 8.760 1.00 0.00 ? 2 NGA ? H2 1
HETATM 41 H H3 . NGA A 1 . ? 19.160 14.870 6.450 1.00 0.00 ? 2 NGA ? H3 1
HETATM 42 H H4 . NGA A 1 . ? 17.120 13.640 7.140 1.00 0.00 ? 2 NGA ? H4 1
HETATM 43 H H5 . NGA A 1 . ? 17.530 15.880 8.290 1.00 0.00 ? 2 NGA ? H5 1
HETATM 44 H H61 . NGA A 1 . ? 15.840 15.930 9.450 1.00 0.00 ? 2 NGA ? H61 1
HETATM 45 H H62 . NGA A 1 . ? 15.530 14.430 8.620 1.00 0.00 ? 2 NGA ? H62 1
HETATM 46 H H4O . NGA A 1 . ? 17.520 11.850 8.430 1.00 0.00 ? 2 NGA ? H4O 1
HETATM 47 H H3O . NGA A 1 . ? 20.040 12.220 6.890 1.00 0.00 ? 2 NGA ? H3O 1
HETATM 48 H H2N . NGA A 1 . ? 21.620 15.280 6.730 1.00 0.00 ? 2 NGA ? H2N 1
HETATM 49 C C2N . NGA A 1 . ? 22.710 14.230 8.070 1.00 0.00 ? 2 NGA ? C2N 1
HETATM 50 O O2N . NGA A 1 . ? 22.650 13.520 9.040 1.00 0.00 ? 2 NGA ? O2N 1
HETATM 51 C CME . NGA A 1 . ? 24.020 14.590 7.300 1.00 0.00 ? 2 NGA ? CME 1
HETATM 52 H H3M . NGA A 1 . ? 24.470 13.730 6.800 1.00 0.00 ? 2 NGA ? H3M 1
HETATM 53 H H2M . NGA A 1 . ? 23.730 15.340 6.560 1.00 0.00 ? 2 NGA ? H2M 1
HETATM 54 H H1M . NGA A 1 . ? 24.800 15.010 7.930 1.00 0.00 ? 2 NGA ? H1M 1
HETATM 55 C C1 . NAG A 1 . ? 14.630 14.370 11.050 1.00 0.00 ? 3 NAG ? C1 1
HETATM 56 C C2 . NAG A 1 . ? 14.120 13.170 11.890 1.00 0.00 ? 3 NAG ? C2 1
HETATM 57 C C3 . NAG A 1 . ? 12.760 13.470 12.530 1.00 0.00 ? 3 NAG ? C3 1
HETATM 58 C C4 . NAG A 1 . ? 12.720 14.850 13.220 1.00 0.00 ? 3 NAG ? C4 1
HETATM 59 C C5 . NAG A 1 . ? 13.230 15.960 12.300 1.00 0.00 ? 3 NAG ? C5 1
HETATM 60 C C6 . NAG A 1 . ? 13.280 17.320 13.010 1.00 0.00 ? 3 NAG ? C6 1
HETATM 61 N N2 . NAG A 1 . ? 14.090 12.010 11.050 1.00 0.00 ? 3 NAG ? N2 1
HETATM 62 O O3 . NAG A 1 . ? 12.520 12.370 13.430 1.00 0.00 ? 3 NAG ? O3 1
HETATM 63 O O4 . NAG A 1 . ? 11.360 15.100 13.590 1.00 0.00 ? 3 NAG ? O4 1
HETATM 64 O O5 . NAG A 1 . ? 14.560 15.610 11.800 1.00 0.00 ? 3 NAG ? O5 1
HETATM 65 O O6 . NAG A 1 . ? 13.700 18.280 12.010 1.00 0.00 ? 3 NAG ? O6 1
HETATM 66 H H1 . NAG A 1 . ? 13.990 14.480 10.170 1.00 0.00 ? 3 NAG ? H1 1
HETATM 67 H H2 . NAG A 1 . ? 14.900 13.050 12.650 1.00 0.00 ? 3 NAG ? H2 1
HETATM 68 H H3 . NAG A 1 . ? 11.940 13.430 11.810 1.00 0.00 ? 3 NAG ? H3 1
HETATM 69 H H4 . NAG A 1 . ? 13.350 14.830 14.110 1.00 0.00 ? 3 NAG ? H4 1
HETATM 70 H H5 . NAG A 1 . ? 12.600 15.950 11.410 1.00 0.00 ? 3 NAG ? H5 1
HETATM 71 H H61 . NAG A 1 . ? 12.260 17.500 13.340 1.00 0.00 ? 3 NAG ? H61 1
HETATM 72 H H62 . NAG A 1 . ? 13.990 17.460 13.830 1.00 0.00 ? 3 NAG ? H62 1
HETATM 73 H H6O . NAG A 1 . ? 14.660 18.280 11.890 1.00 0.00 ? 3 NAG ? H6O 1
HETATM 74 H H4O . NAG A 1 . ? 11.050 14.340 14.100 1.00 0.00 ? 3 NAG ? H4O 1
HETATM 75 H H3O . NAG A 1 . ? 12.270 11.580 12.960 1.00 0.00 ? 3 NAG ? H3O 1
HETATM 76 H H2N . NAG A 1 . ? 13.270 11.780 10.500 1.00 0.00 ? 3 NAG ? H2N 1
HETATM 77 C C2N . NAG A 1 . ? 15.030 11.100 11.170 1.00 0.00 ? 3 NAG ? C2N 1
HETATM 78 O O2N . NAG A 1 . ? 16.220 11.380 11.470 1.00 0.00 ? 3 NAG ? O2N 1
HETATM 79 C CME . NAG A 1 . ? 14.570 9.600 10.870 1.00 0.00 ? 3 NAG ? CME 1
HETATM 80 H H3M . NAG A 1 . ? 15.320 8.840 11.100 1.00 0.00 ? 3 NAG ? H3M 1
HETATM 81 H H2M . NAG A 1 . ? 13.620 9.430 11.360 1.00 0.00 ? 3 NAG ? H2M 1
HETATM 82 H H1M . NAG A 1 . ? 14.430 9.490 9.790 1.00 0.00 ? 3 NAG ? H1M 1
HETATM 83 H HO1 . ROH B 2 . ? 21.950 19.570 14.940 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 84 O O1 . ROH B 2 . ? 21.460 19.660 14.110 1.00 0.00 ? 1 ROH ? O1 1
#