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-(1-3)-alpha-D-glucopyranose-(1-3)-alpha-L-arabinopyranose" 444.386 1 ? ? ? ?
2 non-polymer syn ? ? 1 ? ? ? ?
3 non-polymer syn "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" 972.844 2 ? ? ? ?
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.pdb_ins_code
B 2 ROH 1 1 1 ROH ROH ? .
C 3 ACX 1 3 3 ACX ACX ? .
D 3 ACX 1 6 6 ACX ACX ? .
#
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
ACX saccharide . "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" ? "C36 H60 O30" 972.844
ARA "L-saccharide, alpha linking" . alpha-L-arabinopyranose "alpha-L-arabinose; L-arabinose; arabinose" "C5 H10 O5" 150.130
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 ARA . O3 ? ? ? 1_555 A GLC . C1 ? ? ? ARA 1 ? GLC 2 1_555 ? ? ? ? ? ? ? 1.476 sing ?
covale2 covale both ? A GLC . O3 ? ? ? 1_555 A XYS . C1 ? ? ? GLC 2 ? XYS 3 1_555 ? ? ? ? ? ? ? 1.532 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 ?
C N N 3 ?
D N N 3 ?
#
_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
#
loop_
_pdbx_validate_close_contact.id
_pdbx_validate_close_contact.PDB_model_num
_pdbx_validate_close_contact.auth_atom_id_1
_pdbx_validate_close_contact.auth_asym_id_1
_pdbx_validate_close_contact.auth_comp_id_1
_pdbx_validate_close_contact.auth_seq_id_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
_pdbx_validate_close_contact.auth_asym_id_2
_pdbx_validate_close_contact.auth_comp_id_2
_pdbx_validate_close_contact.auth_seq_id_2
_pdbx_validate_close_contact.PDB_ins_code_2
_pdbx_validate_close_contact.label_alt_id_2
_pdbx_validate_close_contact.dist
1 1 O2 . ARA 1 ? ? C1A . ACX 3 ? ? 1.31
2 1 O4 . GLC 2 ? ? C1A . ACX 6 ? ? 1.34
3 1 O1 . ROH 1 ? ? C1 . ARA 1 ? ? 1.43
#
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 ? . XYS 3 ? "WRONG HAND" .
#
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 . ARA 1 ? O1 ? A ARA 1 O1
2 1 N 1 . ACX 3 ? C1F ? C ACX 1 C1F
3 1 N 1 . ACX 3 ? C2F ? C ACX 1 C2F
4 1 N 1 . ACX 3 ? C3F ? C ACX 1 C3F
5 1 N 1 . ACX 3 ? C4F ? C ACX 1 C4F
6 1 N 1 . ACX 3 ? C5F ? C ACX 1 C5F
7 1 N 1 . ACX 3 ? C6F ? C ACX 1 C6F
8 1 N 1 . ACX 3 ? O2F ? C ACX 1 O2F
9 1 N 1 . ACX 3 ? O3F ? C ACX 1 O3F
10 1 N 1 . ACX 3 ? O1E ? C ACX 1 O1E
11 1 N 1 . ACX 3 ? O5F ? C ACX 1 O5F
12 1 N 1 . ACX 3 ? O6F ? C ACX 1 O6F
13 1 N 1 . ACX 3 ? C1E ? C ACX 1 C1E
14 1 N 1 . ACX 3 ? C2E ? C ACX 1 C2E
15 1 N 1 . ACX 3 ? C3E ? C ACX 1 C3E
16 1 N 1 . ACX 3 ? C4E ? C ACX 1 C4E
17 1 N 1 . ACX 3 ? C5E ? C ACX 1 C5E
18 1 N 1 . ACX 3 ? C6E ? C ACX 1 C6E
19 1 N 1 . ACX 3 ? O2E ? C ACX 1 O2E
20 1 N 1 . ACX 3 ? O3E ? C ACX 1 O3E
21 1 N 1 . ACX 3 ? O1D ? C ACX 1 O1D
22 1 N 1 . ACX 3 ? O5E ? C ACX 1 O5E
23 1 N 1 . ACX 3 ? O6E ? C ACX 1 O6E
24 1 N 1 . ACX 3 ? C1D ? C ACX 1 C1D
25 1 N 1 . ACX 3 ? C2D ? C ACX 1 C2D
26 1 N 1 . ACX 3 ? C3D ? C ACX 1 C3D
27 1 N 1 . ACX 3 ? C4D ? C ACX 1 C4D
28 1 N 1 . ACX 3 ? C5D ? C ACX 1 C5D
29 1 N 1 . ACX 3 ? C6D ? C ACX 1 C6D
30 1 N 1 . ACX 3 ? O2D ? C ACX 1 O2D
31 1 N 1 . ACX 3 ? O3D ? C ACX 1 O3D
32 1 N 1 . ACX 3 ? O1C ? C ACX 1 O1C
33 1 N 1 . ACX 3 ? O5D ? C ACX 1 O5D
34 1 N 1 . ACX 3 ? O6D ? C ACX 1 O6D
35 1 N 1 . ACX 3 ? C1C ? C ACX 1 C1C
36 1 N 1 . ACX 3 ? C2C ? C ACX 1 C2C
37 1 N 1 . ACX 3 ? C3C ? C ACX 1 C3C
38 1 N 1 . ACX 3 ? C4C ? C ACX 1 C4C
39 1 N 1 . ACX 3 ? C5C ? C ACX 1 C5C
40 1 N 1 . ACX 3 ? C6C ? C ACX 1 C6C
41 1 N 1 . ACX 3 ? O2C ? C ACX 1 O2C
42 1 N 1 . ACX 3 ? O3C ? C ACX 1 O3C
43 1 N 1 . ACX 3 ? O1B ? C ACX 1 O1B
44 1 N 1 . ACX 3 ? O5C ? C ACX 1 O5C
45 1 N 1 . ACX 3 ? O6C ? C ACX 1 O6C
46 1 N 1 . ACX 3 ? C1B ? C ACX 1 C1B
47 1 N 1 . ACX 3 ? C2B ? C ACX 1 C2B
48 1 N 1 . ACX 3 ? C3B ? C ACX 1 C3B
49 1 N 1 . ACX 3 ? C4B ? C ACX 1 C4B
50 1 N 1 . ACX 3 ? C5B ? C ACX 1 C5B
51 1 N 1 . ACX 3 ? C6B ? C ACX 1 C6B
52 1 N 1 . ACX 3 ? O2B ? C ACX 1 O2B
53 1 N 1 . ACX 3 ? O3B ? C ACX 1 O3B
54 1 N 1 . ACX 3 ? O5B ? C ACX 1 O5B
55 1 N 1 . ACX 3 ? O6B ? C ACX 1 O6B
56 1 N 1 . ACX 3 ? C3A ? C ACX 1 C3A
57 1 N 1 . ACX 3 ? C4A ? C ACX 1 C4A
58 1 N 1 . ACX 3 ? C5A ? C ACX 1 C5A
59 1 N 1 . ACX 3 ? C6A ? C ACX 1 C6A
60 1 N 1 . ACX 3 ? O2A ? C ACX 1 O2A
61 1 N 1 . ACX 3 ? O3A ? C ACX 1 O3A
62 1 N 1 . ACX 3 ? O1F ? C ACX 1 O1F
63 1 N 1 . ACX 3 ? O5A ? C ACX 1 O5A
64 1 N 1 . ACX 3 ? O6A ? C ACX 1 O6A
65 1 N 1 . ACX 6 ? C1F ? D ACX 1 C1F
66 1 N 1 . ACX 6 ? C2F ? D ACX 1 C2F
67 1 N 1 . ACX 6 ? C3F ? D ACX 1 C3F
68 1 N 1 . ACX 6 ? C4F ? D ACX 1 C4F
69 1 N 1 . ACX 6 ? C5F ? D ACX 1 C5F
70 1 N 1 . ACX 6 ? C6F ? D ACX 1 C6F
71 1 N 1 . ACX 6 ? O2F ? D ACX 1 O2F
72 1 N 1 . ACX 6 ? O3F ? D ACX 1 O3F
73 1 N 1 . ACX 6 ? O1E ? D ACX 1 O1E
74 1 N 1 . ACX 6 ? O5F ? D ACX 1 O5F
75 1 N 1 . ACX 6 ? O6F ? D ACX 1 O6F
76 1 N 1 . ACX 6 ? C1E ? D ACX 1 C1E
77 1 N 1 . ACX 6 ? C2E ? D ACX 1 C2E
78 1 N 1 . ACX 6 ? C3E ? D ACX 1 C3E
79 1 N 1 . ACX 6 ? C4E ? D ACX 1 C4E
80 1 N 1 . ACX 6 ? C5E ? D ACX 1 C5E
81 1 N 1 . ACX 6 ? C6E ? D ACX 1 C6E
82 1 N 1 . ACX 6 ? O2E ? D ACX 1 O2E
83 1 N 1 . ACX 6 ? O3E ? D ACX 1 O3E
84 1 N 1 . ACX 6 ? O1D ? D ACX 1 O1D
85 1 N 1 . ACX 6 ? O5E ? D ACX 1 O5E
86 1 N 1 . ACX 6 ? O6E ? D ACX 1 O6E
87 1 N 1 . ACX 6 ? C1D ? D ACX 1 C1D
88 1 N 1 . ACX 6 ? C2D ? D ACX 1 C2D
89 1 N 1 . ACX 6 ? C3D ? D ACX 1 C3D
90 1 N 1 . ACX 6 ? C4D ? D ACX 1 C4D
91 1 N 1 . ACX 6 ? C5D ? D ACX 1 C5D
92 1 N 1 . ACX 6 ? C6D ? D ACX 1 C6D
93 1 N 1 . ACX 6 ? O2D ? D ACX 1 O2D
94 1 N 1 . ACX 6 ? O3D ? D ACX 1 O3D
95 1 N 1 . ACX 6 ? O1C ? D ACX 1 O1C
96 1 N 1 . ACX 6 ? O5D ? D ACX 1 O5D
97 1 N 1 . ACX 6 ? O6D ? D ACX 1 O6D
98 1 N 1 . ACX 6 ? C1C ? D ACX 1 C1C
99 1 N 1 . ACX 6 ? C2C ? D ACX 1 C2C
100 1 N 1 . ACX 6 ? C3C ? D ACX 1 C3C
101 1 N 1 . ACX 6 ? C4C ? D ACX 1 C4C
102 1 N 1 . ACX 6 ? C5C ? D ACX 1 C5C
103 1 N 1 . ACX 6 ? C6C ? D ACX 1 C6C
104 1 N 1 . ACX 6 ? O2C ? D ACX 1 O2C
105 1 N 1 . ACX 6 ? O3C ? D ACX 1 O3C
106 1 N 1 . ACX 6 ? O1B ? D ACX 1 O1B
107 1 N 1 . ACX 6 ? O5C ? D ACX 1 O5C
108 1 N 1 . ACX 6 ? O6C ? D ACX 1 O6C
109 1 N 1 . ACX 6 ? C1B ? D ACX 1 C1B
110 1 N 1 . ACX 6 ? C2B ? D ACX 1 C2B
111 1 N 1 . ACX 6 ? C3B ? D ACX 1 C3B
112 1 N 1 . ACX 6 ? C4B ? D ACX 1 C4B
113 1 N 1 . ACX 6 ? C5B ? D ACX 1 C5B
114 1 N 1 . ACX 6 ? C6B ? D ACX 1 C6B
115 1 N 1 . ACX 6 ? O2B ? D ACX 1 O2B
116 1 N 1 . ACX 6 ? O3B ? D ACX 1 O3B
117 1 N 1 . ACX 6 ? O5B ? D ACX 1 O5B
118 1 N 1 . ACX 6 ? O6B ? D ACX 1 O6B
119 1 N 1 . ACX 6 ? C3A ? D ACX 1 C3A
120 1 N 1 . ACX 6 ? C4A ? D ACX 1 C4A
121 1 N 1 . ACX 6 ? C5A ? D ACX 1 C5A
122 1 N 1 . ACX 6 ? C6A ? D ACX 1 C6A
123 1 N 1 . ACX 6 ? O2A ? D ACX 1 O2A
124 1 N 1 . ACX 6 ? O3A ? D ACX 1 O3A
125 1 N 1 . ACX 6 ? O1F ? D ACX 1 O1F
126 1 N 1 . ACX 6 ? O5A ? D ACX 1 O5A
127 1 N 1 . ACX 6 ? O6A ? D ACX 1 O6A
#
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 ARA 1 . ARA 1 ? ARA 2 n
A 1 GLC 2 . GLC 2 ? GLC 4 n
A 1 XYS 3 . XYS 3 ? XYS 5 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
ARA "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LArapa
ARA "COMMON NAME" GMML 1.0 a-L-arabinopyranose
ARA "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Arap
ARA "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Ara
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 DXylpa1-3DGlcpa1-3LArapa1-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 ARA O3 HO3 sing ?
2 1 3 XYS C1 O1 2 GLC 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 ARA 1 n
1 GLC 2 n
1 XYS 3 n
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.name
_pdbx_entity_nonpoly.comp_id
2 ? ROH
3 "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" ACX
#
_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 . ARA A 1 . ? 12.880 12.260 23.070 1.00 0.00 ? 1 ARA ? C1 1
HETATM 2 C C2 . ARA A 1 . ? 14.010 12.340 22.040 1.00 0.00 ? 1 ARA ? C2 1
HETATM 3 C C3 . ARA A 1 . ? 14.340 13.750 21.530 1.00 0.00 ? 1 ARA ? C3 1
HETATM 4 C C4 . ARA A 1 . ? 14.210 14.830 22.570 1.00 0.00 ? 1 ARA ? C4 1
HETATM 5 C C5 . ARA A 1 . ? 12.910 14.690 23.360 1.00 0.00 ? 1 ARA ? C5 1
HETATM 6 O O2 . ARA A 1 . ? 15.210 11.830 22.700 1.00 0.00 ? 1 ARA ? O2 1
HETATM 7 O O3 . ARA A 1 . ? 13.320 13.910 20.510 1.00 0.00 ? 1 ARA ? O3 1
HETATM 8 O O4 . ARA A 1 . ? 14.500 16.180 22.120 1.00 0.00 ? 1 ARA ? O4 1
HETATM 9 O O5 . ARA A 1 . ? 12.970 13.380 23.970 1.00 0.00 ? 1 ARA ? O5 1
HETATM 10 H H1 . ARA A 1 . ? 12.890 11.370 23.710 1.00 0.00 ? 1 ARA ? H1 1
HETATM 11 H H2 . ARA A 1 . ? 13.770 11.690 21.200 1.00 0.00 ? 1 ARA ? H2 1
HETATM 12 H H3 . ARA A 1 . ? 15.320 13.800 21.050 1.00 0.00 ? 1 ARA ? H3 1
HETATM 13 H H4 . ARA A 1 . ? 14.910 14.630 23.380 1.00 0.00 ? 1 ARA ? H4 1
HETATM 14 H H5A . ARA A 1 . ? 12.050 14.840 22.710 1.00 0.00 ? 1 ARA ? H5A 1
HETATM 15 H H5E . ARA A 1 . ? 12.850 15.440 24.150 1.00 0.00 ? 1 ARA ? H5E 1
HETATM 16 H H4O . ARA A 1 . ? 15.260 16.140 21.530 1.00 0.00 ? 1 ARA ? H4O 1
HETATM 17 C C1 . GLC A 1 . ? 13.730 14.580 19.260 1.00 0.00 ? 2 GLC ? C1 1
HETATM 18 C C2 . GLC A 1 . ? 13.350 13.660 18.070 1.00 0.00 ? 2 GLC ? C2 1
HETATM 19 C C3 . GLC A 1 . ? 13.590 14.350 16.690 1.00 0.00 ? 2 GLC ? C3 1
HETATM 20 C C4 . GLC A 1 . ? 13.120 15.820 16.640 1.00 0.00 ? 2 GLC ? C4 1
HETATM 21 C C5 . GLC A 1 . ? 13.440 16.600 17.900 1.00 0.00 ? 2 GLC ? C5 1
HETATM 22 C C6 . GLC A 1 . ? 12.820 18.000 17.950 1.00 0.00 ? 2 GLC ? C6 1
HETATM 23 O O2 . GLC A 1 . ? 14.300 12.560 18.160 1.00 0.00 ? 2 GLC ? O2 1
HETATM 24 O O3 . GLC A 1 . ? 12.850 13.710 15.680 1.00 0.00 ? 2 GLC ? O3 1
HETATM 25 O O4 . GLC A 1 . ? 13.830 16.370 15.470 1.00 0.00 ? 2 GLC ? O4 1
HETATM 26 O O5 . GLC A 1 . ? 12.990 15.820 19.110 1.00 0.00 ? 2 GLC ? O5 1
HETATM 27 O O6 . GLC A 1 . ? 13.340 18.850 19.040 1.00 0.00 ? 2 GLC ? O6 1
HETATM 28 H H1 . GLC A 1 . ? 14.790 14.830 19.260 1.00 0.00 ? 2 GLC ? H1 1
HETATM 29 H H2 . GLC A 1 . ? 12.370 13.210 18.160 1.00 0.00 ? 2 GLC ? H2 1
HETATM 30 H H3 . GLC A 1 . ? 14.660 14.270 16.490 1.00 0.00 ? 2 GLC ? H3 1
HETATM 31 H H4 . GLC A 1 . ? 12.040 15.850 16.480 1.00 0.00 ? 2 GLC ? H4 1
HETATM 32 H H5 . GLC A 1 . ? 14.510 16.730 18.050 1.00 0.00 ? 2 GLC ? H5 1
HETATM 33 H H61 . GLC A 1 . ? 13.040 18.540 17.030 1.00 0.00 ? 2 GLC ? H61 1
HETATM 34 H H62 . GLC A 1 . ? 11.730 17.960 18.030 1.00 0.00 ? 2 GLC ? H62 1
HETATM 35 H H6O . GLC A 1 . ? 13.020 19.750 18.890 1.00 0.00 ? 2 GLC ? H6O 1
HETATM 36 H H2O . GLC A 1 . ? 15.200 12.890 18.240 1.00 0.00 ? 2 GLC ? H2O 1
HETATM 37 C C1 . XYS A 1 . ? 13.150 12.300 15.160 1.00 0.00 ? 3 XYS ? C1 1
HETATM 38 C C2 . XYS A 1 . ? 12.030 11.880 14.170 1.00 0.00 ? 3 XYS ? C2 1
HETATM 39 C C3 . XYS A 1 . ? 12.390 10.530 13.480 1.00 0.00 ? 3 XYS ? C3 1
HETATM 40 C C4 . XYS A 1 . ? 13.820 10.560 12.910 1.00 0.00 ? 3 XYS ? C4 1
HETATM 41 C C5 . XYS A 1 . ? 14.840 11.020 13.930 1.00 0.00 ? 3 XYS ? C5 1
HETATM 42 O O2 . XYS A 1 . ? 10.780 11.720 14.890 1.00 0.00 ? 3 XYS ? O2 1
HETATM 43 O O3 . XYS A 1 . ? 11.430 10.130 12.380 1.00 0.00 ? 3 XYS ? O3 1
HETATM 44 O O4 . XYS A 1 . ? 14.100 9.290 12.330 1.00 0.00 ? 3 XYS ? O4 1
HETATM 45 O O5 . XYS A 1 . ? 14.370 12.310 14.410 1.00 0.00 ? 3 XYS ? O5 1
HETATM 46 H H1 . XYS A 1 . ? 13.310 11.560 15.940 1.00 0.00 ? 3 XYS ? H1 1
HETATM 47 H H2 . XYS A 1 . ? 11.940 12.590 13.350 1.00 0.00 ? 3 XYS ? H2 1
HETATM 48 H H3 . XYS A 1 . ? 12.460 9.790 14.280 1.00 0.00 ? 3 XYS ? H3 1
HETATM 49 H H4 . XYS A 1 . ? 13.730 11.290 12.100 1.00 0.00 ? 3 XYS ? H4 1
HETATM 50 H H5E . XYS A 1 . ? 15.890 10.940 13.650 1.00 0.00 ? 3 XYS ? H5E 1
HETATM 51 H H5A . XYS A 1 . ? 14.760 10.330 14.770 1.00 0.00 ? 3 XYS ? H5A 1
HETATM 52 H H4O . XYS A 1 . ? 13.270 8.930 12.020 1.00 0.00 ? 3 XYS ? H4O 1
HETATM 53 H H3O . XYS A 1 . ? 11.740 10.340 11.500 1.00 0.00 ? 3 XYS ? H3O 1
HETATM 54 H H2O . XYS A 1 . ? 10.940 11.150 15.640 1.00 0.00 ? 3 XYS ? H2O 1
HETATM 55 H HO1 . ROH B 2 . ? 10.930 12.180 23.240 1.00 0.00 ? 1 ROH ? HO1 1
HETATM 56 O O1 . ROH B 2 . ? 11.560 12.190 22.520 1.00 0.00 ? 1 ROH ? O1 1
HETATM 57 O O1A . ACX C 3 . ? 16.670 11.340 21.030 1.00 0.00 ? 3 ACX ? O1A 1
HETATM 58 C C1A . ACX C 3 . ? 15.900 11.010 21.940 1.00 0.00 ? 3 ACX ? C1A 1
HETATM 59 C C2A . ACX C 3 . ? 15.700 9.550 22.460 1.00 0.00 ? 3 ACX ? C2A 1
HETATM 60 H H1A . ACX C 3 . ? 15.560 9.490 23.540 1.00 0.00 ? 3 ACX ? H1A 1
HETATM 61 H H2A . ACX C 3 . ? 16.580 9.020 22.080 1.00 0.00 ? 3 ACX ? H2A 1
HETATM 62 H H3A . ACX C 3 . ? 14.950 9.050 21.850 1.00 0.00 ? 3 ACX ? H3A 1
HETATM 63 O O1A . ACX D 3 . ? 12.180 16.180 13.980 1.00 0.00 ? 6 ACX ? O1A 1
HETATM 64 C C1A . ACX D 3 . ? 13.310 16.040 14.280 1.00 0.00 ? 6 ACX ? C1A 1
HETATM 65 C C2A . ACX D 3 . ? 14.470 15.490 13.290 1.00 0.00 ? 6 ACX ? C2A 1
HETATM 66 H H1A . ACX D 3 . ? 14.000 14.840 12.550 1.00 0.00 ? 6 ACX ? H1A 1
HETATM 67 H H2A . ACX D 3 . ? 15.150 14.810 13.800 1.00 0.00 ? 6 ACX ? H2A 1
HETATM 68 H H3A . ACX D 3 . ? 14.910 16.360 12.800 1.00 0.00 ? 6 ACX ? H3A 1
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