| 1 | #\#CIF_1.1
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| 2 | # mmCIF
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| 3 | data_structure
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| 4 | #
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| 5 | _audit_conform.dict_name mmcif_pdbx.dic
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| 6 | _audit_conform.dict_version 4.007
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| 7 | _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
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| 8 | #
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| 9 | _audit_syntax.case_sensitive_flag Y
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| 10 | _audit_syntax.fixed_width "atom_site atom_site_anisotrop"
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| 11 | #
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| 12 | _citation.id chimerax
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| 13 | _citation.title
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| 14 | ;UCSF ChimeraX: Meeting Modern Challenges in Visualization and Analysis
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| 15 | ;
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| 16 |
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| 17 | _citation.journal_abbrev "Protein Sci."
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| 18 | _citation.journal_volume 27
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| 19 | _citation.page_first 14
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| 20 | _citation.page_last 25
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| 21 | _citation.journal_issue 1
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| 22 | _citation.year 2018
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| 23 | _citation.pdbx_database_id_PubMed 28710774
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| 24 | _citation.pdbx_database_id_DOI 10.1002/pro.3235
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| 25 | #
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| 26 | loop_
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| 27 | _citation_author.citation_id
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| 28 | _citation_author.name
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| 29 | _citation_author.ordinal
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| 30 | chimerax "Goddard TD" 1
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| 31 | chimerax "Huang CC" 2
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| 32 | chimerax "Meng EC" 3
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| 33 | chimerax "Pettersen EF" 4
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| 34 | chimerax "Couch GS" 5
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| 35 | chimerax "Morris JH" 6
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| 36 | chimerax "Ferrin TE" 7
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| 37 | #
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| 38 | _software.name "UCSF ChimeraX"
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| 39 | _software.version 1.2/v9
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| 40 | _software.location https://www.rbvi.ucsf.edu/chimerax/
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| 41 | _software.classification "model building"
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| 42 | _software.os macOS
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| 43 | _software.type package
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| 44 | _software.citation_id chimerax
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| 45 | _software.pdbx_ordinal 1
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| 46 | #
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| 47 | _chem_comp.id UNK
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| 48 | _chem_comp.type non-polymer
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| 49 | #
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| 50 | _entity.id 1
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| 51 | _entity.type non-polymer
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| 52 | _entity.pdbx_description ?
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| 53 | #
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| 54 | _struct_asym.id ""
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| 55 | _struct_asym.entity_id 1
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| 56 | #
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| 57 | loop_
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| 58 | _atom_type.symbol
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| 59 | O
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| 60 | Mg
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| 61 | Al
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| 62 | V
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| 63 | #
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| 64 | loop_
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| 65 | _atom_site.group_PDB
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| 66 | _atom_site.id
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| 67 | _atom_site.type_symbol
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| 68 | _atom_site.label_atom_id
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| 69 | _atom_site.label_alt_id
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| 70 | _atom_site.label_comp_id
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| 71 | _atom_site.label_asym_id
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| 72 | _atom_site.label_entity_id
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| 73 | _atom_site.label_seq_id
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| 74 | _atom_site.Cartn_x
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| 75 | _atom_site.Cartn_y
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| 76 | _atom_site.Cartn_z
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| 77 | _atom_site.auth_asym_id
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| 78 | _atom_site.auth_seq_id
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| 79 | _atom_site.pdbx_PDB_ins_code
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| 80 | _atom_site.occupancy
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| 81 | _atom_site.B_iso_or_equiv
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| 82 | _atom_site.pdbx_PDB_model_num
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| 83 | ATOM 1 Al Al . UNK "" 1 . 30.881 23.161 23.161 "" 1 ? 1.00 0.00 1
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| 84 | ATOM 2 Al Al . UNK "" 1 . 23.161 30.881 23.161 "" 1 ? 1.00 0.00 1
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| 85 | ATOM 3 Al Al . UNK "" 1 . 15.440 23.161 23.161 "" 1 ? 1.00 0.00 1
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| 86 | ATOM 4 Al Al . UNK "" 1 . 23.161 23.161 30.881 "" 1 ? 1.00 0.00 1
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| 87 | ATOM 5 Al Al . UNK "" 1 . 7.720 15.440 7.720 "" 1 ? 1.00 0.00 1
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| 88 | ATOM 6 Al Al . UNK "" 1 . 7.720 7.720 15.440 "" 1 ? 1.00 0.00 1
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| 89 | ATOM 7 Al Al . UNK "" 1 . 30.881 30.881 30.881 "" 1 ? 1.00 0.00 1
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| 90 | ATOM 8 Al Al . UNK "" 1 . 15.468 19.339 19.339 "" 1 ? 1.00 0.00 1
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| 91 | ATOM 9 Al Al . UNK "" 1 . 23.159 27.019 19.300 "" 1 ? 1.00 0.00 1
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| 92 | ATOM 10 Al Al . UNK "" 1 . 30.879 19.300 19.300 "" 1 ? 1.00 0.00 1
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| 93 | ATOM 11 Al Al . UNK "" 1 . 7.722 11.581 3.862 "" 1 ? 1.00 0.00 1
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| 94 | ATOM 12 Al Al . UNK "" 1 . 7.722 3.862 11.581 "" 1 ? 1.00 0.00 1
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| 95 | ATOM 13 Al Al . UNK "" 1 . 15.413 11.542 11.542 "" 1 ? 1.00 0.00 1
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| 96 | ATOM 14 Al Al . UNK "" 1 . 0.002 11.581 11.581 "" 1 ? 1.00 0.00 1
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| 97 | ATOM 15 Al Al . UNK "" 1 . 23.159 19.300 27.019 "" 1 ? 1.00 0.00 1
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| 98 | ATOM 16 Al Al . UNK "" 1 . 27.019 23.159 19.300 "" 1 ? 1.00 0.00 1
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| 99 | ATOM 17 Al Al . UNK "" 1 . 19.300 30.879 19.300 "" 1 ? 1.00 0.00 1
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| 100 | ATOM 18 Al Al . UNK "" 1 . 11.581 7.722 3.862 "" 1 ? 1.00 0.00 1
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| 101 | ATOM 19 Al Al . UNK "" 1 . 11.581 0.002 11.581 "" 1 ? 1.00 0.00 1
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| 102 | ATOM 20 Al Al . UNK "" 1 . 19.300 23.159 27.019 "" 1 ? 1.00 0.00 1
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| 103 | ATOM 21 Al Al . UNK "" 1 . 3.862 7.722 11.581 "" 1 ? 1.00 0.00 1
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| 104 | ATOM 22 Al Al . UNK "" 1 . 11.542 15.413 11.542 "" 1 ? 1.00 0.00 1
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| 105 | ATOM 23 Al Al . UNK "" 1 . 19.339 15.468 19.339 "" 1 ? 1.00 0.00 1
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| 106 | ATOM 24 Al Al . UNK "" 1 . 19.300 27.019 23.159 "" 1 ? 1.00 0.00 1
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| 107 | ATOM 25 Al Al . UNK "" 1 . 19.300 19.300 30.879 "" 1 ? 1.00 0.00 1
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| 108 | ATOM 26 Al Al . UNK "" 1 . 11.581 11.581 0.002 "" 1 ? 1.00 0.00 1
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| 109 | ATOM 27 Al Al . UNK "" 1 . 11.581 3.862 7.722 "" 1 ? 1.00 0.00 1
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| 110 | ATOM 28 Al Al . UNK "" 1 . 3.862 11.581 7.722 "" 1 ? 1.00 0.00 1
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| 111 | ATOM 29 Al Al . UNK "" 1 . 27.019 19.300 23.159 "" 1 ? 1.00 0.00 1
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| 112 | ATOM 30 Al Al . UNK "" 1 . 11.542 11.542 15.413 "" 1 ? 1.00 0.00 1
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| 113 | ATOM 31 Al Al . UNK "" 1 . 19.339 19.339 15.468 "" 1 ? 1.00 0.00 1
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| 114 | ATOM 32 V V . UNK "" 1 . 15.440 15.440 15.440 "" 1 ? 1.00 0.00 1
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| 115 | ATOM 33 Mg Mg . UNK "" 1 . 13.502 13.502 21.243 "" 1 ? 1.00 0.00 1
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| 116 | ATOM 34 Mg Mg . UNK "" 1 . 5.791 5.791 5.791 "" 1 ? 1.00 0.00 1
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| 117 | ATOM 35 Mg Mg . UNK "" 1 . 13.510 13.510 5.791 "" 1 ? 1.00 0.00 1
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| 118 | ATOM 36 Mg Mg . UNK "" 1 . 13.510 5.791 13.510 "" 1 ? 1.00 0.00 1
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| 119 | ATOM 37 Mg Mg . UNK "" 1 . 21.243 13.502 13.502 "" 1 ? 1.00 0.00 1
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| 120 | ATOM 38 Mg Mg . UNK "" 1 . 5.791 13.510 13.510 "" 1 ? 1.00 0.00 1
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| 121 | ATOM 39 Mg Mg . UNK "" 1 . 13.502 21.243 13.502 "" 1 ? 1.00 0.00 1
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| 122 | ATOM 40 Mg Mg . UNK "" 1 . 21.251 21.251 21.251 "" 1 ? 1.00 0.00 1
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| 123 | ATOM 41 Mg Mg . UNK "" 1 . 17.371 17.371 25.090 "" 1 ? 1.00 0.00 1
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| 124 | ATOM 42 Mg Mg . UNK "" 1 . 9.629 9.629 9.629 "" 1 ? 1.00 0.00 1
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| 125 | ATOM 43 Mg Mg . UNK "" 1 . 17.379 17.379 9.638 "" 1 ? 1.00 0.00 1
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| 126 | ATOM 44 Mg Mg . UNK "" 1 . 17.379 9.638 17.379 "" 1 ? 1.00 0.00 1
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| 127 | ATOM 45 Mg Mg . UNK "" 1 . 25.090 17.371 17.371 "" 1 ? 1.00 0.00 1
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| 128 | ATOM 46 Mg Mg . UNK "" 1 . 9.638 17.379 17.379 "" 1 ? 1.00 0.00 1
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| 129 | ATOM 47 Mg Mg . UNK "" 1 . 17.371 25.090 17.371 "" 1 ? 1.00 0.00 1
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| 130 | ATOM 48 Mg Mg . UNK "" 1 . 25.090 25.090 25.090 "" 1 ? 1.00 0.00 1
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| 131 | ATOM 49 O O . UNK "" 1 . 11.370 19.075 11.370 "" 1 ? 1.00 0.00 1
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| 132 | ATOM 50 O O . UNK "" 1 . 3.648 3.648 3.648 "" 1 ? 1.00 0.00 1
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| 133 | ATOM 51 O O . UNK "" 1 . 11.368 11.368 3.648 "" 1 ? 1.00 0.00 1
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| 134 | ATOM 52 O O . UNK "" 1 . 11.368 3.648 11.368 "" 1 ? 1.00 0.00 1
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| 135 | ATOM 53 O O . UNK "" 1 . 19.118 19.118 19.118 "" 1 ? 1.00 0.00 1
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| 136 | ATOM 54 O O . UNK "" 1 . 19.075 11.370 11.370 "" 1 ? 1.00 0.00 1
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| 137 | ATOM 55 O O . UNK "" 1 . 3.648 11.368 11.368 "" 1 ? 1.00 0.00 1
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| 138 | ATOM 56 O O . UNK "" 1 . 11.370 11.370 19.075 "" 1 ? 1.00 0.00 1
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| 139 | ATOM 57 O O . UNK "" 1 . 11.763 11.763 11.763 "" 1 ? 1.00 0.00 1
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| 140 | ATOM 58 O O . UNK "" 1 . 19.511 19.511 11.805 "" 1 ? 1.00 0.00 1
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| 141 | ATOM 59 O O . UNK "" 1 . 19.511 11.805 19.511 "" 1 ? 1.00 0.00 1
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| 142 | ATOM 60 O O . UNK "" 1 . 27.233 19.513 19.513 "" 1 ? 1.00 0.00 1
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| 143 | ATOM 61 O O . UNK "" 1 . 11.805 19.511 19.511 "" 1 ? 1.00 0.00 1
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| 144 | ATOM 62 O O . UNK "" 1 . 19.513 27.233 19.513 "" 1 ? 1.00 0.00 1
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| 145 | ATOM 63 O O . UNK "" 1 . 19.513 19.513 27.233 "" 1 ? 1.00 0.00 1
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| 146 | ATOM 64 O O . UNK "" 1 . 27.233 27.233 27.233 "" 1 ? 1.00 0.00 1
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| 147 | ATOM 65 O O . UNK "" 1 . 11.366 15.655 23.374 "" 1 ? 1.00 0.00 1
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| 148 | ATOM 66 O O . UNK "" 1 . 3.646 7.931 7.931 "" 1 ? 1.00 0.00 1
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| 149 | ATOM 67 O O . UNK "" 1 . 11.349 15.652 7.912 "" 1 ? 1.00 0.00 1
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| 150 | ATOM 68 O O . UNK "" 1 . 11.349 7.912 15.652 "" 1 ? 1.00 0.00 1
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| 151 | ATOM 69 O O . UNK "" 1 . 19.226 15.706 15.706 "" 1 ? 1.00 0.00 1
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| 152 | ATOM 70 O O . UNK "" 1 . 3.648 15.653 15.653 "" 1 ? 1.00 0.00 1
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| 153 | ATOM 71 O O . UNK "" 1 . 11.366 23.374 15.655 "" 1 ? 1.00 0.00 1
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| 154 | ATOM 72 O O . UNK "" 1 . 19.098 23.379 23.379 "" 1 ? 1.00 0.00 1
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| 155 | ATOM 73 O O . UNK "" 1 . 19.532 15.229 22.969 "" 1 ? 1.00 0.00 1
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| 156 | ATOM 74 O O . UNK "" 1 . 11.783 7.502 7.502 "" 1 ? 1.00 0.00 1
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| 157 | ATOM 75 O O . UNK "" 1 . 19.514 15.226 7.507 "" 1 ? 1.00 0.00 1
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| 158 | ATOM 76 O O . UNK "" 1 . 19.514 7.507 15.226 "" 1 ? 1.00 0.00 1
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| 159 | ATOM 77 O O . UNK "" 1 . 27.233 15.228 15.228 "" 1 ? 1.00 0.00 1
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| 160 | ATOM 78 O O . UNK "" 1 . 11.655 15.174 15.174 "" 1 ? 1.00 0.00 1
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| 161 | ATOM 79 O O . UNK "" 1 . 19.532 22.969 15.229 "" 1 ? 1.00 0.00 1
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| 162 | ATOM 80 O O . UNK "" 1 . 27.234 22.950 22.950 "" 1 ? 1.00 0.00 1
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| 163 | ATOM 81 O O . UNK "" 1 . 15.652 11.349 7.912 "" 1 ? 1.00 0.00 1
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| 164 | ATOM 82 O O . UNK "" 1 . 7.931 3.646 7.931 "" 1 ? 1.00 0.00 1
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| 165 | ATOM 83 O O . UNK "" 1 . 15.653 3.648 15.653 "" 1 ? 1.00 0.00 1
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| 166 | ATOM 84 O O . UNK "" 1 . 23.374 11.366 15.655 "" 1 ? 1.00 0.00 1
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| 167 | ATOM 85 O O . UNK "" 1 . 7.912 11.349 15.652 "" 1 ? 1.00 0.00 1
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| 168 | ATOM 86 O O . UNK "" 1 . 15.706 19.226 15.706 "" 1 ? 1.00 0.00 1
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| 169 | ATOM 87 O O . UNK "" 1 . 15.655 11.366 23.374 "" 1 ? 1.00 0.00 1
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| 170 | ATOM 88 O O . UNK "" 1 . 23.379 19.098 23.379 "" 1 ? 1.00 0.00 1
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| 171 | ATOM 89 O O . UNK "" 1 . 15.229 19.532 22.969 "" 1 ? 1.00 0.00 1
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| 172 | ATOM 90 O O . UNK "" 1 . 7.502 11.783 7.502 "" 1 ? 1.00 0.00 1
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| 173 | ATOM 91 O O . UNK "" 1 . 15.226 19.514 7.507 "" 1 ? 1.00 0.00 1
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| 174 | ATOM 92 O O . UNK "" 1 . 15.174 11.655 15.174 "" 1 ? 1.00 0.00 1
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| 175 | ATOM 93 O O . UNK "" 1 . 22.969 19.532 15.229 "" 1 ? 1.00 0.00 1
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| 176 | ATOM 94 O O . UNK "" 1 . 7.507 19.514 15.226 "" 1 ? 1.00 0.00 1
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| 177 | ATOM 95 O O . UNK "" 1 . 15.228 27.233 15.228 "" 1 ? 1.00 0.00 1
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| 178 | ATOM 96 O O . UNK "" 1 . 22.950 27.234 22.950 "" 1 ? 1.00 0.00 1
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| 179 | ATOM 97 O O . UNK "" 1 . 15.706 15.706 19.226 "" 1 ? 1.00 0.00 1
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| 180 | ATOM 98 O O . UNK "" 1 . 7.931 7.931 3.646 "" 1 ? 1.00 0.00 1
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| 181 | ATOM 99 O O . UNK "" 1 . 15.653 15.653 3.648 "" 1 ? 1.00 0.00 1
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| 182 | ATOM 100 O O . UNK "" 1 . 15.652 7.912 11.349 "" 1 ? 1.00 0.00 1
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| 183 | ATOM 101 O O . UNK "" 1 . 23.374 15.655 11.366 "" 1 ? 1.00 0.00 1
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| 184 | ATOM 102 O O . UNK "" 1 . 7.912 15.652 11.349 "" 1 ? 1.00 0.00 1
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| 185 | ATOM 103 O O . UNK "" 1 . 15.655 23.374 11.366 "" 1 ? 1.00 0.00 1
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| 186 | ATOM 104 O O . UNK "" 1 . 23.379 23.379 19.098 "" 1 ? 1.00 0.00 1
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| 187 | ATOM 105 O O . UNK "" 1 . 15.229 22.969 19.532 "" 1 ? 1.00 0.00 1
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| 188 | ATOM 106 O O . UNK "" 1 . 7.502 7.502 11.783 "" 1 ? 1.00 0.00 1
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| 189 | ATOM 107 O O . UNK "" 1 . 15.228 15.228 27.233 "" 1 ? 1.00 0.00 1
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| 190 | ATOM 108 O O . UNK "" 1 . 22.950 22.950 27.234 "" 1 ? 1.00 0.00 1
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| 191 | ATOM 109 O O . UNK "" 1 . 15.174 15.174 11.655 "" 1 ? 1.00 0.00 1
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| 192 | ATOM 110 O O . UNK "" 1 . 15.226 7.507 19.514 "" 1 ? 1.00 0.00 1
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| 193 | ATOM 111 O O . UNK "" 1 . 22.969 15.229 19.532 "" 1 ? 1.00 0.00 1
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| 194 | ATOM 112 O O . UNK "" 1 . 7.507 15.226 19.514 "" 1 ? 1.00 0.00 1
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| 195 | #
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