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- PDB-6bht: HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form -

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Open data

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Basic information

Entry

Database: PDB / ID: 6bht

Title

HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form

Components

Capsid protein p24

Keywords

VIRAL PROTEIN / assembly / co-factor

Function / homology

Function and homology information

viral budding via host ESCRT complex / ISG15 antiviral mechanism / host multivesicular body / viral nucleocapsid / host cell nucleus / host cell plasma membrane / structural molecule activity / virion membrane / RNA binding / zinc ion binding / membrane
Similarity search - Function

Biological species

Human immunodeficiency virus type 1

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.689 Å

Authors

Zadrozny, K. / Wagner, J.M. / Ganser-Pornillos, B.K. / Pornillos, O.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	R01-AI129678	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	U54-GM103297	United States

Citation

Journal: Nature / Year: 2018
Title: Inositol phosphates are assembly co-factors for HIV-1.
Authors: Dick, R.A. / Zadrozny, K.K. / Xu, C. / Schur, F.K.M. / Lyddon, T.D. / Ricana, C.L. / Wagner, J.M. / Perilla, J.R. / Ganser-Pornillos, B.K. / Johnson, M.C. / Pornillos, O. / Vogt, V.M.

History

Deposition	Oct 31, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 1, 2018	Provider: repository / Type: Initial release
Revision 1.1	Aug 15, 2018	Group: Data collection / Database references / Source and taxonomy Category: citation / citation_author / entity_src_gen Item: _citation.pdbx_database_id_PubMed / _citation.title ..._citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name / _entity_src_gen.pdbx_gene_src_scientific_name
Revision 1.2	Sep 5, 2018	Group: Data collection / Database references / Source and taxonomy Category: citation / entity_src_gen Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _entity_src_gen.gene_src_common_name / _entity_src_gen.gene_src_strain / _entity_src_gen.pdbx_gene_src_scientific_name
Revision 1.3	Feb 20, 2019	Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Dec 11, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Oct 14, 2020	Group: Structure summary / Category: chem_comp / Item: _chem_comp.pdbx_synonyms
Revision 1.6	Oct 4, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	6bht.cif.gz	963.6 KB	Display	PDBx/mmCIF format
PDB format	pdb6bht.ent.gz	809.4 KB	Display	PDB format
PDBx/mmJSON format	6bht.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bh/6bht ftp://data.pdbj.org/pub/pdb/validation_reports/bh/6bht	HTTPS FTP

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Related structure data

Related structure data	6bhrC 6bhsC 3h4eS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3h4e-2 4u0d-2 4wym-2 4u0d-1 4xro-1 6obh-d 5tsx-2 5tsv-1 4qnb-1 5hgl-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#163 - Jul 2013 HIV Capsid similarity (3) #110 - Feb 2009 Auxin and TIR1 Ubiquitin Ligase similarity (1) #225 - Sep 2018 Phytase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (2) #218 - Feb 2018 EPSP Synthase and Weedkillers similarity (1) #88 - Apr 2007 Clathrin similarity (1)

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Assembly

Deposited unit

A: Capsid protein p24

B: Capsid protein p24

C: Capsid protein p24

D: Capsid protein p24

E: Capsid protein p24

F: Capsid protein p24

G: Capsid protein p24

H: Capsid protein p24

I: Capsid protein p24

J: Capsid protein p24

K: Capsid protein p24

L: Capsid protein p24

hetero molecules

308 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Capsid protein p24

B: Capsid protein p24

C: Capsid protein p24

D: Capsid protein p24

E: Capsid protein p24

F: Capsid protein p24

hetero molecules

defined by author&software
Evidence: cross-linking
154 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

G: Capsid protein p24

H: Capsid protein p24

I: Capsid protein p24

J: Capsid protein p24

K: Capsid protein p24

L: Capsid protein p24

hetero molecules

defined by author&software
154 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	135.317, 137.173, 209.354
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Components

#1: Protein	Capsid protein p24 / Pr55Gag Mass: 25461.271 Da / Num. of mol.: 12 / Mutation: A146C, E177C, W316A, M317A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE) Strain: NEW YORK-5 ISOLATE / Gene: gag / Production host: Escherichia coli (E. coli) / References: UniProt: P12493
#2: Chemical	ChemComp-IHP / INOSITOL HEXAKISPHOSPHATE / MYO-INOSITOL HEXAKISPHOSPHATE / INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE Mass: 660.035 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₆H₁₈O₂₄P₆
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 173 / Source method: isolated from a natural source / Formula: H₂O

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.18 Å³/Da / Density % sol: 61.32 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion / pH: 8.2 / Details: 8% PEG 8000, 0.1M Tris

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARRESEARCH / Detector: CCD / Date: Aug 1, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.689→50 Å / Num. obs: 108358 / % possible obs: 99.3 % / Redundancy: 3.8 % / R_merge(I) obs: 0.06 / Net I/σ(I): 13.1
Reflection shell	Resolution: 2.689→2.74 Å / R_merge(I) obs: 0.79

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Processing

Software

Name	Version	Classification
PHENIX	(1.11.1_2575: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3H4E

3h4e

Resolution: 2.689→39.77 Å / SU ML: 0.32 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.06 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2546	2000	2.09 %
R_work	0.2267	-	-
obs	0.2273	95906	88.23 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.689→39.77 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19441	0	144	173	19758

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	20039
X-RAY DIFFRACTION	f_angle_d	0.628	27323
X-RAY DIFFRACTION	f_dihedral_angle_d	8.894	12223
X-RAY DIFFRACTION	f_chiral_restr	0.356	3110
X-RAY DIFFRACTION	f_plane_restr	0.004	3522

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.6885-2.7558	0.3681	40	0.3094	2545	X-RAY DIFFRACTION	34
2.7558-2.8303	0.3555	113	0.3056	3840	X-RAY DIFFRACTION	52
2.8303-2.9135	0.2966	86	0.2931	5362	X-RAY DIFFRACTION	71
2.9135-3.0075	0.3666	140	0.2991	6672	X-RAY DIFFRACTION	88
3.0075-3.115	0.3371	179	0.2853	7342	X-RAY DIFFRACTION	98
3.115-3.2396	0.2963	114	0.2708	7533	X-RAY DIFFRACTION	99
3.2396-3.387	0.3085	224	0.267	7498	X-RAY DIFFRACTION	100
3.387-3.5655	0.3055	112	0.2544	7601	X-RAY DIFFRACTION	100
3.5655-3.7887	0.2831	213	0.2383	7468	X-RAY DIFFRACTION	100
3.7887-4.081	0.2603	123	0.2157	7593	X-RAY DIFFRACTION	99
4.081-4.4911	0.214	161	0.1899	7537	X-RAY DIFFRACTION	99
4.4911-5.1398	0.193	171	0.1767	7558	X-RAY DIFFRACTION	99
5.1398-6.4711	0.2028	112	0.2155	7683	X-RAY DIFFRACTION	99
6.4711-39.7744	0.1909	212	0.1765	7674	X-RAY DIFFRACTION	97

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.0111	0.0136	0.0011	0.0492	-0.0107	0.0045	-0.0459	-0.0432	-0.0553	0.0371	0.0034	0.0334	0.0326	-0.0201	-0.0112	0.2348	-0.0735	0.0679	0.2988	0.0137	0.2199	-20.3708	-64.8107	-33.0234
2	0.0068	0.0001	-0.0022	0.0065	-0.003	0.008	0.0357	0.0077	0.132	0.041	-0.0137	0.0085	-0.0275	0.084	0.0347	0.1398	-0.0361	-0.02	0.1778	0.0412	0.194	-0.6821	-55.2546	-30.5478
3	0.0198	-0.0076	-0.0392	0.0093	-0.0189	0.1661	0.0101	0.0162	0.0065	-0.0904	-0.0075	-0.1295	-0.1056	0.1905	0.2212	0.1272	-0.1028	0.128	0.0513	0.0561	0.0396	-0.7223	-62.7365	-44.267
4	0.0397	-0.0016	-0.0124	0.0246	-0.0103	0.0087	-0.0611	0.0431	-0.0583	0.0106	-0.0108	0.0194	-0.0345	-0.0795	-0.127	0.288	0.0031	0.0825	0.2104	-0.1376	0.2363	-13.0143	-75.9068	-53.1286
5	0.0696	0.0256	0.0068	0.0093	0.0002	0.074	-0.0466	-0.0223	-0.1356	-0.0445	-0.0913	0.1701	0.0319	-0.027	-0.125	0.2223	-0.0165	0.0095	0.1019	0.0104	0.2265	-15.2358	-70.1801	-44.9961
6	0.0839	-0.0616	-0.1411	0.119	0.2128	0.3939	0.0545	-0.0396	-0.0357	0.0172	0.0601	0.0319	0.0071	0.0888	0.2529	0.1509	-0.0007	-0.0302	0.0507	0.0087	0.0618	3.3121	-65.7152	-38.936
7	0.0201	0.0174	-0.0179	0.0139	-0.0158	0.0173	-0.0129	-0.0591	-0.0077	0.0058	-0.0198	-0.0633	-0.0022	0.0302	-0.0348	0.1823	-0.1318	0.0353	0.8039	-0.0127	0.4315	25.1963	-58.209	-22.1273
8	0.0633	0.023	-0.0781	0.0373	-0.0229	0.1123	-0.0221	-0.0315	-0.0202	-0.0243	-0.0298	-0.0262	0.0414	0.0681	-0.0741	0.1733	0.1033	0.0121	0.6128	-0.0576	0.1619	18.0811	-61.8925	-20.9253
9	0.0517	-0.005	-0.005	0.0011	0.0008	0.0136	0.014	-0.0018	-0.0315	0.0146	-0.0677	-0.1316	0.0179	0.1235	-0.081	0.4596	0.3032	-0.114	1.1272	0.1667	0.5341	23.8285	-68.6316	-13.8698
10	0.0509	0.0062	-0.0123	0.037	-0.0044	0.0197	-0.0135	-0.0181	-0.0019	0.0434	0.0302	0.0595	0.0156	-0.0579	0.0158	0.2852	-0.0751	0.1312	0.4365	-0.0181	0.1885	-18.1856	-68.702	-21.4124
11	0.0276	-0.0048	0.0122	0.0103	0.0144	0.034	0.0274	0.0042	0.0229	-0.0054	0.0368	-0.0026	-0.0009	0.0678	0.0292	0.2253	-0.0503	-0.0439	0.2657	-0.0584	0.185	-2.0325	-55.1898	-17.2896
12	0.0564	-0.0418	-0.0107	0.0362	0.0232	0.0592	-0.0797	-0.02	0.0111	0.011	0.0256	-0.0284	0.0761	0.0577	-0.1573	0.1679	0.0491	0.0584	0.2137	-0.0428	0.0639	-1.2516	-63.6645	-15.0272
13	0.0428	-0.0178	0.0038	0.0997	0.0227	0.0153	0.0453	0.0314	-0.0308	0.0914	0.0442	-0.0761	0.1924	0.1025	0.065	0.4234	0.1946	-0.0176	0.3417	-0.0271	0.224	7.9716	-76.0378	-13.6875
14	0.1081	-0.0233	0.0091	0.0296	-0.0316	0.0397	0.1758	-0.0331	-0.1177	0.0083	-0.1285	0.0588	0.069	-0.1296	0.0765	0.4962	-0.1093	-0.001	0.2299	-0.0722	0.2314	-7.0003	-84.2843	-20.4781
15	0.0676	-0.0459	0.077	0.1188	-0.1086	0.123	0.054	-0.084	0.045	0.0323	0.0251	-0.0607	-0.006	0.0072	0.1521	0.3496	0.0122	0.0563	0.2953	-0.0866	0.0208	2.9231	-70.0275	-9.1485
16	0.0061	0.0047	0.0008	0.0037	0.0016	0.0011	0.0684	0.0138	0.0966	0.0215	0.0087	-0.0233	0.0001	0.068	-0.0004	0.4427	-0.013	0.0852	0.9006	-0.2354	0.485	12.9006	-51.8585	9.3586
17	0.0011	0.0028	0.0025	0.0092	0.0079	0.0064	0.0213	0.0049	0.008	-0.0823	-0.0243	-0.0079	0.0414	0.0405	-0.0185	0.2817	0.0846	-0.0127	0.3775	-0.1184	0.129	5.1916	-53.6308	7.6403
18	0.0315	0.0071	0.0128	0.0137	0.009	0.0097	0.012	-0.0275	-0.0022	-0.0932	0.0617	-0.0053	0.0779	0.0171	0.01	0.5763	-0.0654	-0.0206	0.788	-0.0138	0.1962	7.8042	-59.6319	14.3138
19	0.0951	-0.0256	-0.0234	0.0409	0.0169	0.0967	0.0712	-0.0314	0.0155	-0.0502	0.038	-0.0506	-0.0512	0.0752	0.1341	0.2783	-0.0421	0.0285	0.5804	-0.0684	0.1878	2.0603	-51.4758	22.0304
20	0.0312	0.0098	-0.0187	0.073	-0.0657	0.0666	0.0523	0.0225	-0.0407	0.1265	0.0871	-0.0707	-0.0702	0.0461	0.275	0.1731	0.0157	-0.02	0.2518	-0.102	0.123	-16.7101	-53.8542	-7.032
21	0.0671	-0.0484	-0.0381	0.1797	0.1711	0.1718	0.0372	-0.0526	-0.0874	0.1422	-0.0618	0.0473	0.2185	-0.0137	-0.0375	0.2207	0.0361	-0.0101	0.2521	-0.015	0.093	-17.536	-66.3776	5.7527
22	0.0659	0.0525	-0.0003	0.1154	-0.0211	0.0072	-0.0863	-0.0151	-0.0193	0.1599	0.0139	0.051	0.0268	-0.0243	-0.2232	0.2325	0.0488	0.0172	0.2083	-0.1569	0.2344	-15.6618	-53.5503	8.3125
23	0.0517	-0.0331	0.059	0.0532	0.0006	0.1108	-0.0664	-0.0076	0.0803	0.0636	-0.0188	-0.0185	-0.0911	0.0592	-0.284	0.3548	-0.0576	-0.0767	0.1548	-0.1113	0.1668	-13.7988	-28.1428	9.6111
24	0.0302	0.0193	0.0089	0.0537	0.0295	0.016	0.0626	-0.0024	-0.0017	-0.0017	-0.0111	-0.0115	0.0045	0.0169	0.0785	0.4444	0.0694	-0.002	0.4674	-0.1962	0.2429	-21.8667	-31.4378	17.0444
25	0.0025	-0.0068	0.0025	0.0158	-0.0055	0.0023	-0.0178	-0.0281	0.0517	0.0462	-0.0084	-0.0059	-0.0528	-0.0431	-0.038	0.5189	0.1631	-0.147	0.4559	-0.3196	0.4881	-24.1086	-17.8184	10.4622
26	0.0025	-0.0003	-0.0023	0.0052	0.0031	0.0031	-0.0394	-0.0031	0.0102	0.0485	0.0485	0.0125	-0.0331	-0.0208	0	0.2671	0.039	-0.0039	0.3815	-0.1264	0.3984	-32.6352	-54.97	-14.6736
27	0.0385	-0.0061	0.0292	0.0144	-0.0196	0.0676	-0.0512	0.02	0.0128	-0.0326	0.0402	-0.0496	0.0123	0.041	-0.0752	0.2634	0.0162	-0.0397	0.071	-0.0348	0.1189	-21.5949	-36.1682	-11.8656
28	0.065	0.0041	0.0049	0.0228	-0.0317	0.0581	-0.0207	-0.0559	0.1099	0.2194	-0.0382	0.1971	-0.0466	-0.0267	-0.1843	0.2161	0.0517	0.0412	0.2619	-0.1389	0.2184	-31.1991	-37.3963	0.3184
29	0.1098	-0.0019	-0.0201	0.0153	-0.0005	0.1078	-0.0241	0.0217	-0.043	0.0449	-0.0362	0.1058	0.0651	-0.0331	-0.0531	0.3331	-0.047	0.2455	0.3805	-0.0609	0.384	-42.6948	-46.7515	3.7579
30	0.0072	0.0133	-0.0033	0.0269	-0.0028	0.0076	-0.0446	0.0155	0.0073	0.0074	-0.0027	0.0708	0.0634	-0.0573	-0.0008	0.2279	-0.067	0.1066	0.1916	-0.0699	0.3477	-41.734	-51.7164	-4.7704
31	0.0056	0.0093	0.0127	0.0211	0.0205	0.1298	-0.0544	0.0236	-0.027	0.0501	0.0494	0.0507	-0.1366	0.0126	0.0012	0.2175	0.0683	-0.0311	0.228	-0.0145	0.2552	-32.8529	-32.3341	-4.6823
32	-0.0004	0.0003	0.0003	0.001	-0	0.0002	-0.0073	-0.0122	0.0455	0.0283	0.0755	-0.0901	-0.0388	0.0513	0.0317	0.8006	-0.1102	-0.1387	0.2718	-0.1382	0.5489	-21.2887	-9.1877	-15.7981
33	0.0135	-0.0035	-0.0115	0.0111	0.0021	0.0081	-0.0492	-0.0244	0.0174	0.0445	0.0025	0.0217	-0.0215	-0.0097	-0.0904	0.4063	0.1045	-0.0484	0.0736	-0.0773	0.3016	-25.2224	-15.6004	-19.0219
34	0.0477	0.006	0.0149	0.0013	0.0013	0.0081	0.04	-0.113	0.0753	-0.0258	0.1086	-0.0889	-0.1126	-0.0346	0.0009	1.0688	0.2197	-0.0162	0.3537	0.0065	0.6646	-29.9079	-6.1924	-22.5514
35	0.0307	-0.0083	-0.002	0.0445	0.0246	0.014	0.0244	-0.003	0.0384	-0.0203	0.0464	0.0144	-0.0219	-0.0289	0.0222	0.509	0.1836	-0.0431	0.2333	0.0355	0.5454	-30.8979	-9.8308	-31.2211
36	0.0625	0.0214	-0.0216	0.0179	-0.0307	0.0778	0.0499	-0.0316	0.0056	0.0103	0.0655	-0.0278	-0.0066	0.0448	0.1829	0.2473	-0.0764	-0.1354	0.0534	-0.0348	0.2187	-25.899	-40.0091	-27.9961
37	0.0947	0.0158	-0.1948	0.0699	-0.0562	0.4027	0.0387	0.0813	0.1029	0.0165	0.0703	0.1269	-0.102	-0.1789	0.2731	0.13	0.0469	-0.0637	0.1131	-0.0203	0.2499	-35.1644	-28.0766	-27.412
38	0.0443	0.0342	0.0072	0.0269	0.0164	0.0623	-0.0067	0.0249	-0.0355	-0.0585	0.097	0.1119	0.0375	-0.1042	0.0907	0.17	-0.1021	-0	0.3243	0.1455	0.4729	-46.7742	-38.2966	-26.8487
39	0.1398	-0.003	-0.0738	0.0502	0.0339	0.112	0.1529	-0.0001	0.0722	-0.0074	0.1219	-0.0587	0.1226	-0.1402	0.2626	0.1947	-0.0247	-0.0675	0.2063	0.0389	0.2533	-32.3827	-27.9467	-34.3693
40	0.0205	-0.0034	-0.0038	0.0398	0.0229	0.0123	-0.0786	0.0288	0.0323	-0.0965	0.0035	0.0409	-0.0447	-0.0387	-0.3615	0.3003	-0.1149	-0.1247	0.0447	0.1356	0.3496	-13.5473	-21.6385	-50.3019
41	0.02	0.0382	-0.0063	0.0746	-0.0047	0.047	-0.057	0.0324	0.0175	-0.0559	-0.0279	-0.0578	-0.0017	0.0253	-0.0803	0.5245	-0.1444	0.0399	0.2316	0.0772	0.2102	-7.2702	-26.4141	-61.8859
42	0.1004	-0.0238	0.0167	0.0506	0.0037	0.0042	-0.0062	0.0049	-0.0272	-0.0127	-0.0018	0.0139	0.0324	-0.0279	0.0846	0.3262	-0.079	-0.0143	0.0708	-0.0727	0.3129	-28.3205	-56.1002	-34.4732
43	0.0034	-0.0067	-0.0033	0.0146	0.007	0.0074	-0.0019	-0.015	0.0322	0.0115	-0.0024	-0.0299	-0.0496	0.0203	-0.0084	0.2195	-0.0965	-0.0257	0.0689	-0.0962	0.242	-11.9488	-41.4522	-34.7239
44	0.0153	-0.0124	-0.0089	0.0246	0.0041	0.0384	-0.0161	0.0112	0.0687	-0.0318	-0.0047	-0.0544	-0.0921	0.0453	-0.1278	0.1901	-0.1042	-0.066	-0.0017	0.0296	0.1899	-15.5661	-43.8333	-42.4527
45	0.0083	-0.0093	-0.0061	0.0221	0.002	0.0075	0.0349	0.0711	0.0402	-0.103	0.0508	0.0669	0.0123	-0.0393	0.0812	0.3199	-0.1091	-0.1005	0.1239	0.0735	0.1784	-20.1283	-40.1854	-56.7771
46	0.0226	-0.0025	0.0352	0.0585	-0.0237	0.0607	-0.0043	0.0306	-0.0305	-0.0151	0.034	0.0308	-0.01	-0.0058	0.0292	0.28	-0.1619	-0.2363	0.3871	0.0335	0.4485	-36.9116	-50.6708	-57.4396
47	0.1188	0.034	-0.0922	0.0099	-0.0312	0.1546	-0.1373	0.0061	-0.0298	-0.0146	-0.0681	0.0444	0.0707	-0.1016	-0.0614	0.2568	-0.0579	-0.0597	0.1531	0.0327	0.4081	-32.6781	-51.4025	-47.5419
48	0.0006	0.0005	-0.0018	0.0242	-0.0503	0.1024	-0.0414	0.0322	0.0297	-0.0007	-0.0368	0.0148	-0.0466	0.0263	-0.1129	0.2273	-0.087	-0.0695	0.0535	-0.0278	0.2216	-14.2961	-45.0866	-51.8774
49	0.0652	0.0592	0.0092	0.0634	0.0249	0.0296	0.0357	-0.0065	-0.0036	0.0239	-0.0208	-0.0674	-0.0468	0.0531	0.0485	0.4354	-0.196	0.0893	0.3624	0.1666	0.5257	14.4487	-42.545	-50.6937
50	0.0006	0.0007	-0.0005	-0.0001	-0.0009	0.0001	-0.0155	0.0301	0.0337	-0.0665	0.0289	-0.0077	-0.0445	0.0537	0.0432	0.2314	-0.156	0.0256	0.2138	0.0454	0.1296	8.8123	-48.0856	-48.5768
51	0.0129	0.0068	-0.0203	0.0044	-0.0114	0.0296	-0.0501	0.042	-0.0136	-0.02	0.0193	0.0363	-0.0154	0.0824	0.0254	0.2517	-0.1066	0.144	0.2721	-0.0148	0.3423	10.173	-52.0898	-55.6467
52	0.0334	-0.0069	-0.0124	0.044	-0.0081	0.0104	-0.0134	0.0247	0.0139	-0.0469	0.0158	-0.071	-0.0324	0.008	-0.0177	0.2292	-0.0519	0.2072	0.3887	-0.0202	0.7006	20.8032	-57.6423	-50.0438
53	0.017	-0.0543	0.0053	0.1845	-0.063	0.2025	-0.019	0.0267	-0.0538	-0.0105	-0.1288	0.0314	0.1006	0.0591	-0.214	0.3422	-0.1241	0.216	0.6056	-0.2033	0.4361	-46.5867	-72.5554	-18.2358
54	0.0137	0.0105	0.0036	0.0237	-0.0051	0.0042	-0.007	0.007	-0.0172	0.0127	-0.0161	0.0225	0.0289	-0.0244	0.0141	0.2068	-0.1382	0.1692	0.4245	-0.3041	0.4704	-61.7843	-88.7116	-18.7877
55	0.02	-0.0248	-0.0274	0.0533	0.0286	0.0357	0.0177	0.0015	-0.0046	0.0032	0.007	0.006	-0.0105	0.0074	0.158	0.4078	-0.1922	0.2652	0.4077	-0.293	0.4783	-57.6658	-92.0075	-10.2443
56	0.0176	0.0078	0.0214	0.0042	0.0129	0.1177	0.0418	0.0314	-0.0298	0.1148	-0.0283	0.0792	0.0242	0.0245	0.0678	0.5252	-0.3264	0.4643	0.7148	-0.4703	0.7026	-62.4396	-80.2678	-3.2482
57	0.0789	-0.033	-0.0671	0.0928	0.0189	0.0813	-0.0105	0.0302	-0.0049	0.0114	-0.0117	0.0061	0.0134	-0.0602	-0.1238	0.5155	-0.242	0.285	0.5255	-0.2986	0.5719	-51.9876	-63.9732	3.358
58	0.0256	-0.0085	0.0214	0.0029	-0.0072	0.0182	-0.0066	0.0015	-0.0126	0.0223	-0.0525	0.0438	0.0039	-0.0465	-0.2974	0.4028	-0.2377	0.2288	0.5437	-0.3096	0.4893	-51.4907	-68.2582	-5.726
59	0.0139	0.0069	0.0077	0.0352	-0.0084	0.0104	-0.0397	0.0022	-0.0361	0.0568	-0.0015	0.0268	0.0643	-0.0088	-0.0856	0.5076	-0.2564	0.2709	0.5222	-0.3247	0.5073	-58.7765	-86.3823	-1.4696
60	0.0542	0.0316	-0.0019	0.0306	-0.007	0.0356	-0.002	-0.0449	-0.056	-0.0146	0.0029	-0.0119	0.0573	-0.0297	0.0429	0.8584	-0.2946	0.4177	0.7729	0.0202	0.8933	-62.8273	-114.155	-3.2132
61	-0.0003	0.0005	-0.0011	-0	0.0002	-0	0.01	-0.0328	0.0208	0.0242	0.0177	0.0229	0.0017	-0.025	0.0927	0.7919	-0.183	0.3709	0.3616	-0.113	0.4649	-56.8878	-109.4658	-4.9942
62	0.0045	0.0013	-0.003	0.0004	-0.0008	0.0018	-0.0482	-0.036	-0.0365	0.0228	-0.0449	-0.0145	0.0336	0.0323	-0.0002	1.0991	-0.0349	0.3532	0.8666	0.115	0.9805	-53.4333	-117.1092	1.7237
63	0.0002	0.0005	-0.001	0.0008	-0.0018	0.0029	-0.0063	-0.0112	0.0051	-0.0231	0.006	-0.056	0.0131	0.007	0	1.0796	-0.009	0.2403	0.8095	0.0276	0.663	-45.2038	-118.5518	-3.7516
64	0.0933	-0.0025	0.0159	0.0539	-0.0296	0.0177	0.0372	0.0321	0.0641	-0.0175	-0.0436	-0.0344	0.0143	0.0407	-0.0389	0.3994	-0.2291	0.1504	0.7051	-0.1766	0.3533	-38.7013	-81.3608	-20.2881
65	0.0151	-0.0098	-0.0177	0.0229	0.0089	0.0197	-0.0154	-0.0064	-0.0067	0.0091	-0.0059	0.0301	0.02	-0.0408	0.0184	0.3424	-0.1226	0.2061	0.4021	-0.2262	0.4309	-52.1325	-98.0122	-22.3094
66	0.0079	0.0028	0.0134	0.0072	0.0093	0.0328	0.0478	0.0012	0.0139	0.0181	0.0234	0.0041	-0.0034	0.0455	0.3326	0.4872	-0.2059	0.2355	0.4553	-0.2416	0.2655	-44.9145	-98.8116	-17.2575
67	0.0291	0.0157	0.0113	0.0578	-0.0048	0.0057	-0.0432	-0.0701	0.0079	0.1328	0.072	-0.0545	0.0872	0.0142	-0.0142	0.8409	-0.1247	0.1249	0.6991	-0.1495	0.3094	-38.4856	-104.7129	-4.6848
68	0.048	0.0202	0.0521	0.3557	-0.0415	0.0691	-0.0798	0.0748	-0.0186	0.0714	-0.0593	0.0147	-0.0503	0.007	-0.0768	0.7078	-0.1872	0.085	0.4787	-0.1415	0.272	-27.7055	-88.5079	0.2342
69	0.0044	-0.0084	0.0054	0.0177	-0.0101	0.0064	0.0012	0.0227	-0.0026	-0.0091	-0.0497	0.0217	0.023	0.0032	-0.1315	0.4787	-0.1664	0.2137	0.6609	-0.1891	0.3483	-33.3544	-86.3992	-7.8842
70	0.0377	-0.0094	0.0438	0.0025	-0.0108	0.0507	0.0662	0.0051	0.0342	-0.0023	0.0215	-0.0537	0.1209	0.0407	0.1467	0.6211	-0.0343	0.1538	0.5427	-0.1925	0.3077	-38.4349	-104.7599	-13.6913
71	0.0047	-0.0003	-0.0039	0.0087	-0.0019	0.0035	-0.0107	-0.0008	-0.0647	0.0093	0.0492	0.013	0.0318	-0.0209	0.0028	1.0273	-0.0913	0.0573	0.4852	-0.1555	0.7099	-45.4888	-126.4763	-30.2821
72	0.0148	0.0156	0.01	0.0349	0.0383	0.0486	-0.0128	-0.008	-0.0523	0.0051	0.0079	0.0315	0.0396	0.0059	0.0398	0.5354	0.0661	0.1446	0.3839	-0.2128	0.3469	-41.4921	-119.4076	-31.3968
73	0.0026	-0	-0.0019	0.0044	-0.0051	0.0066	-0.0175	-0.0866	-0.0104	-0.013	0.0038	-0.0346	0.0987	-0.0286	-0	0.9839	0.0932	0.0495	0.489	-0.0901	0.6763	-34.724	-123.8199	-30.2839
74	0	0.0003	0.0005	0.0118	0.0123	0.0162	0.0051	0.0034	0.0059	0.0178	-0.0014	-0.0279	0.0513	0.0013	-0.013	0.8909	0.1148	0.1738	0.5801	-0.3631	0.7875	-33.1169	-130.4484	-41.5122
75	0.0039	0.001	-0.0101	0.0007	-0.0037	0.0267	-0.0432	0.011	-0.0099	-0.0306	0.0156	-0.0416	0.006	-0.008	-0.0035	0.8252	0.0772	0.1648	0.4941	-0.2051	0.5534	-36.1989	-122.5599	-44.4283
76	0.0805	-0.0067	0.0019	0.0035	0.0113	0.0448	0.009	-0.0042	0.0189	0.032	0.0167	-0.0162	-0.0038	0.0302	-0.0342	0.4269	-0.2461	0.1006	0.726	-0.2085	0.3299	-34.0996	-83.1828	-31.3295
77	-0.0001	0.0019	0.0009	0.0271	0.0134	0.0068	0.0053	-0.0249	0.008	0.0066	-0.0248	0.0498	0.0487	-0.0153	-0.0056	0.2793	-0.1229	0.0731	0.3156	-0.1974	0.2649	-47.9153	-100.1294	-35.7541
78	0.0363	-0.0715	-0.0308	0.1892	0.0198	0.0603	0.0584	-0.0685	0.0411	-0.1101	-0.028	-0.0057	-0.0086	0.0985	0.1965	0.2492	-0.0521	0.0349	0.4343	-0.2141	0.1617	-39.4823	-100.3939	-37.6304
79	0.0212	-0.0167	0.007	0.1323	-0.0078	0.0021	-0.0595	-0.0283	0.0299	0.0724	0.0598	-0.1481	0.0584	0.0045	-0.1001	0.3966	0.0854	0.0243	0.3531	-0.2088	0.2965	-26.6887	-108.9186	-38.5088
80	0.0206	-0.0528	0.006	0.1363	-0.0106	0.0074	-0.1535	0.0237	0.0756	0.0726	-0.0596	-0.0696	-0.1014	-0.1158	-0.1136	0.3767	-0.0703	-0.0596	0.4077	-0.1588	0.3992	-14.1725	-96.0235	-30.9644
81	0.0115	0.0074	0.0204	0.0464	0.0235	0.0361	-0.0033	-0.0727	0.0379	0.0146	0.0493	-0.0442	-0.0265	0.0359	0.0591	0.3632	-0.1117	0.0284	0.474	-0.1601	0.1702	-23.3212	-91.7434	-30.9076
82	0.0819	0.0158	0.0219	0.0279	0.035	0.0431	0.0034	0.0423	-0.038	-0.0332	-0.0428	0.0429	-0.0314	0.0456	-0.1208	0.2885	-0.0115	-0.0492	0.4146	-0.1322	0.1158	-32.8121	-104.4496	-43.2801
83	0.0016	0.026	0.0015	0.2953	0.0163	0.0008	0.0355	0.0064	-0.0446	-0.1008	0.0393	0.1001	0.0794	0.0088	0.1283	0.4636	0.0634	-0.1811	0.2685	-0.1201	0.2893	-50.3122	-110.5688	-61.5492
84	0.0124	0.0045	0.0019	0.0236	0.0007	0.0203	-0.0086	0.0224	-0.0186	-0.0495	0.01	-0.0435	0.0227	0.0123	0.0004	0.6612	0.1142	-0.1025	0.4609	-0.0161	0.4396	-41.1998	-109.567	-66.2642
85	0.0052	0.0078	-0.0226	0.0503	-0.0981	0.2032	0.0563	0.0026	-0.0332	-0.0118	0.036	-0.0034	0.0562	-0.041	0.0228	0.8405	-0.1519	-0.1745	0.5005	-0.1368	0.4781	-51.2722	-110.1269	-76.0831
86	0.0029	-0.0086	0.0053	0.0257	-0.015	0.0102	0.0044	-0.0027	0.0209	-0.0148	0.0057	0.0502	-0.0451	0.0264	0.0123	0.6271	-0.0477	-0.191	0.6974	-0.2168	0.5213	-51.8459	-100.7981	-73.0197
87	0.0035	0.0018	0.0006	0.0028	-0.0023	0.0046	0.014	-0.0035	0.0188	-0.0073	0.0083	-0.0096	-0.0077	0.0175	0.0146	0.1906	-0.0425	0.0265	0.3956	-0.2878	0.4855	-38.7487	-78.5474	-41.8397
88	0.0881	-0.0341	0.0051	0.0137	-0.0024	0.001	0.0398	-0.0307	-0.0204	0.017	-0.0138	0.0384	0.0193	0.0091	0.0382	0.1418	-0.0366	-0.0636	0.3553	-0.1775	0.4157	-53.7096	-92.087	-45.3609
89	0.021	-0.0124	-0.0027	0.0245	0.0037	0.0022	0.0102	-0.0024	-0.0122	0.0005	0.0078	0.0022	0.0049	0.0216	0.1087	0.0591	-0.0288	-0.0056	0.1675	-0.2911	0.2282	-49.0695	-88.5947	-52.0487
90	0.0338	0.0327	0.0577	0.0349	0.0605	0.1066	-0.051	0.0889	-0.0447	-0.0614	-0.0047	0.0642	-0.0688	-0.0054	-0.2044	0.2892	0.0316	-0.0921	0.326	-0.2424	0.2428	-41.9706	-90.2598	-65.6886
91	0.0085	-0.0048	0.0064	0.0588	-0.0345	0.0213	-0.0742	0.0917	-0.0122	0.053	-0.0452	-0.0075	-0.0746	0.0448	-0.016	0.188	-0.0167	-0.0331	0.3648	-0.1222	0.2985	-28.681	-82.189	-61.5299
92	0.0511	-0.0305	0.0016	0.0197	-0.0049	0.0315	0.0242	-0.021	0.0513	-0.0596	-0.0273	0.0051	-0.0614	-0.0171	-0.0165	0.2197	0.015	0.0134	0.3085	-0.2054	0.3268	-31.4012	-77.386	-52.6674
93	0.0217	0.0057	0.0079	0.0107	-0.0244	0.0804	-0.0409	0.0741	0.0063	-0.0199	-0.0885	0.0486	-0.0109	-0.0386	-0.2492	0.1188	0.0744	-0.122	0.2927	-0.1756	0.3407	-48.1028	-85.6555	-61.312
94	0.0098	0.0221	-0.0101	0.0706	-0.0609	0.0774	0.0763	-0.0251	-0.0005	0.0532	0.0106	-0.0303	0.107	-0.0258	0.1884	0.2353	-0.0872	-0.0703	0.3775	-0.2485	0.4785	-74.8867	-91.7683	-64.0358
95	0.0016	0.0087	-0.0062	0.0541	-0.041	0.032	-0.0035	0.0074	-0.0254	-0.0361	0.0085	-0.0058	0.0273	-0.0557	0.0842	0.1371	0.0152	0.0391	0.4353	-0.203	0.3107	-72.9473	-85.3355	-60.4963
96	0.0021	0.0005	-0.0023	0.0003	-0.0008	0.0022	0.023	0.0206	0.0239	-0.0828	-0.0638	0.0259	-0.0497	0.0064	-0	0.5581	0.1247	-0.1802	0.5412	-0.092	0.5033	-71.5369	-80.0324	-69.9481
97	0.0112	-0.007	0.0047	0.0105	-0.0013	0.0023	0.0035	-0.0211	0.0127	-0.0052	-0.0032	0.0251	0.0001	-0.0325	0.027	0.4107	-0.0379	-0.2137	0.8704	-0.2844	0.8429	-87.8318	-83.4229	-65.4351
98	0.0058	0.0055	0.0019	0.0099	-0.0041	0.0132	-0.023	-0.0115	0.032	-0.0182	-0.0759	-0.0077	-0.0127	-0.0088	-0.003	0.4634	0.1946	-0.2048	0.8052	-0.257	0.9681	-82.6509	-75.0639	-59.78
99	0.0448	0.0253	0.0148	0.0895	0.0084	0.0062	-0.0064	0.0189	-0.0173	0.0455	-0.0478	0.0261	-0.0178	-0.0588	-0.0514	0.3187	0.0141	-0.1441	0.4125	-0.2708	0.4532	-47.2278	-68.8317	-39.3018
100	0.1242	-0.0531	-0.0059	0.0732	0.0527	0.0502	0.0196	0.0023	-0.033	0.0049	-0.0044	0.016	0.0066	0.0106	0.0504	0.1349	-0.0328	0.0081	0.3514	-0.3128	0.4969	-63.3986	-82.9381	-41.8399
101	0.0292	0.0013	0.0131	0.0004	0.0026	0.0068	0.0178	-0.035	0.0328	0.0231	-0.0519	0.071	0.0148	-0.0547	0.0142	0.1656	-0.0409	-0.0167	0.4115	-0.4277	0.5338	-63.9592	-75.0768	-45.7434
102	0.0716	-0.0236	-0.0151	0.0075	0.0046	0.0502	-0.0664	0.0113	0.0116	-0.0015	-0.056	-0.0064	-0.0427	-0.0591	-0.3084	0.1383	0.1104	-0.1321	0.2763	-0.2053	0.5965	-68.1631	-66.425	-57.9269
103	0.0935	0.0519	0.0789	0.112	0.0305	0.0667	-0.0278	0.0426	0.0256	-0.0154	-0.0729	-0.0035	-0.0287	-0.0339	-0.1663	0.1346	0.0346	-0.0635	0.1915	-0.1494	0.5531	-52.5944	-60.11	-53.4631
104	0.0157	-0.0033	-0.0177	0.0074	0.0089	0.0235	0.0083	0.0161	0.0301	0.0137	-0.0146	0.0259	-0.0066	-0.0775	0.1078	0.1828	0.0876	0.0906	0.3749	-0.3042	0.753	-69.5566	-68.2358	-49.0537
105	0.0404	0.0318	0.0326	0.0249	0.0213	0.0753	0.0559	0.0042	0.004	-0.0013	0.03	-0.0126	0.0166	-0.0261	0.0268	0.3888	-0.1402	0.1262	0.9305	-0.2762	1.007	-93.2793	-77.979	-38.2034
106	0.0148	-0.0018	0.0066	0.0247	-0.042	0.0701	0.052	0.0211	0.0112	0.0075	0.0245	0.0329	-0.0415	-0.0484	0.1283	0.2256	0.0488	0.0893	0.575	-0.3288	0.7791	-87.1275	-74.8946	-34.2472
107	0.0038	0.0011	-0.0016	-0	-0.0003	0.0005	-0.0129	-0.0096	0.0025	-0.0328	-0.0022	0.0458	-0.0393	-0.0689	0.0001	0.8196	0.3281	0.2075	1.0131	-0.168	1.0815	-95.4436	-69.0505	-35.421
108	0.0395	-0.0016	-0.0132	0.0004	-0.0001	0.006	0.0111	0.0207	0.0188	-0.0083	0.0014	-0.0054	-0.0231	-0.0245	-0.009	0.4846	0.1966	0.3373	0.9527	-0.134	0.918	-99.5348	-67.8665	-26.3129
109	0.0328	-0.0169	-0.0315	0.0088	0.0162	0.0299	-0.0082	0.0019	0.011	0.0197	0.0206	0.0075	0.0041	-0.0024	0.0246	0.5001	0.0214	0.3298	1.0723	-0.294	1.0689	-91.5779	-70.7583	-22.2105
110	0.0252	-0.0085	0.0254	0.0598	0.0107	0.0439	-0.0651	0.0783	-0.1226	0.0484	-0.0998	0.1563	-0.0087	-0.1337	-0.8992	0.1399	-0.2044	0.1368	0.6087	-0.4567	0.7793	-67.9743	-67.3838	-26.2069
111	0.1562	0.009	0.1515	0.4265	-0.336	0.4287	-0.1315	0.0059	0.0805	0.0488	-0.0526	0.0136	-0.0819	0.0647	-0.4673	0.3202	-0.2036	0.159	0.4588	-0.3457	0.6646	-67.6993	-62.847	-22.0457
112	0.0535	0.0369	0.0133	0.0535	-0.0069	0.0101	0.0174	-0.0325	-0.0657	0.1266	0.0017	0.0724	0.0393	-0.1018	0.1918	0.7764	-0.3123	0.5367	0.8222	-0.3596	1.0577	-81.3026	-88.7743	-0.3499

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 16 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 17 through 43 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 44 through 83 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 84 through 104 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 105 through 125 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 126 through 145 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 146 through 160 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 161 through 176 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 177 through 221 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 1 through 16 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 17 through 30 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 31 through 62 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 63 through 83 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 84 through 125 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 126 through 145 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 146 through 160 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 161 through 175 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 176 through 195 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 196 through 219 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 1 through 43 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 44 through 125 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 126 through 145 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 146 through 175 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 176 through 192 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 193 through 219 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 1 through 16 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 17 through 43 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 44 through 83 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 84 through 110 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 111 through 125 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 126 through 145 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 146 through 160 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 161 through 176 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 177 through 205 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 206 through 219 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 1 through 43 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 44 through 83 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 84 through 125 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 126 through 145 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 146 through 195 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 196 through 220 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 1 through 16 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 17 through 30 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 31 through 62 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 63 through 83 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 84 through 104 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 105 through 125 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 126 through 145 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 146 through 160 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 161 through 176 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 177 through 195 )
52	X-RAY DIFFRACTION	52	chain 'F' and (resid 196 through 221 )
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 1 through 16 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 17 through 30 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 31 through 43 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 44 through 83 )
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 84 through 104 )
58	X-RAY DIFFRACTION	58	chain 'G' and (resid 105 through 125 )
59	X-RAY DIFFRACTION	59	chain 'G' and (resid 126 through 145 )
60	X-RAY DIFFRACTION	60	chain 'G' and (resid 146 through 160 )
61	X-RAY DIFFRACTION	61	chain 'G' and (resid 161 through 176 )
62	X-RAY DIFFRACTION	62	chain 'G' and (resid 177 through 205 )
63	X-RAY DIFFRACTION	63	chain 'G' and (resid 206 through 219 )
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 1 through 16 )
65	X-RAY DIFFRACTION	65	chain 'H' and (resid 17 through 30 )
66	X-RAY DIFFRACTION	66	chain 'H' and (resid 31 through 62 )
67	X-RAY DIFFRACTION	67	chain 'H' and (resid 63 through 83 )
68	X-RAY DIFFRACTION	68	chain 'H' and (resid 84 through 104 )
69	X-RAY DIFFRACTION	69	chain 'H' and (resid 105 through 125 )
70	X-RAY DIFFRACTION	70	chain 'H' and (resid 126 through 145 )
71	X-RAY DIFFRACTION	71	chain 'H' and (resid 146 through 160 )
72	X-RAY DIFFRACTION	72	chain 'H' and (resid 161 through 176 )
73	X-RAY DIFFRACTION	73	chain 'H' and (resid 177 through 195 )
74	X-RAY DIFFRACTION	74	chain 'H' and (resid 196 through 210 )
75	X-RAY DIFFRACTION	75	chain 'H' and (resid 211 through 221 )
76	X-RAY DIFFRACTION	76	chain 'I' and (resid 1 through 16 )
77	X-RAY DIFFRACTION	77	chain 'I' and (resid 17 through 30 )
78	X-RAY DIFFRACTION	78	chain 'I' and (resid 31 through 62 )
79	X-RAY DIFFRACTION	79	chain 'I' and (resid 63 through 83 )
80	X-RAY DIFFRACTION	80	chain 'I' and (resid 84 through 104 )
81	X-RAY DIFFRACTION	81	chain 'I' and (resid 105 through 125 )
82	X-RAY DIFFRACTION	82	chain 'I' and (resid 126 through 145 )
83	X-RAY DIFFRACTION	83	chain 'I' and (resid 146 through 174 )
84	X-RAY DIFFRACTION	84	chain 'I' and (resid 175 through 192 )
85	X-RAY DIFFRACTION	85	chain 'I' and (resid 193 through 205 )
86	X-RAY DIFFRACTION	86	chain 'I' and (resid 206 through 221 )
87	X-RAY DIFFRACTION	87	chain 'J' and (resid 1 through 16 )
88	X-RAY DIFFRACTION	88	chain 'J' and (resid 17 through 30 )
89	X-RAY DIFFRACTION	89	chain 'J' and (resid 31 through 62 )
90	X-RAY DIFFRACTION	90	chain 'J' and (resid 63 through 83 )
91	X-RAY DIFFRACTION	91	chain 'J' and (resid 84 through 110 )
92	X-RAY DIFFRACTION	92	chain 'J' and (resid 111 through 125 )
93	X-RAY DIFFRACTION	93	chain 'J' and (resid 126 through 144 )
94	X-RAY DIFFRACTION	94	chain 'J' and (resid 145 through 160 )
95	X-RAY DIFFRACTION	95	chain 'J' and (resid 161 through 175 )
96	X-RAY DIFFRACTION	96	chain 'J' and (resid 176 through 192 )
97	X-RAY DIFFRACTION	97	chain 'J' and (resid 193 through 203 )
98	X-RAY DIFFRACTION	98	chain 'J' and (resid 204 through 219 )
99	X-RAY DIFFRACTION	99	chain 'K' and (resid 1 through 16 )
100	X-RAY DIFFRACTION	100	chain 'K' and (resid 17 through 30 )
101	X-RAY DIFFRACTION	101	chain 'K' and (resid 31 through 62 )
102	X-RAY DIFFRACTION	102	chain 'K' and (resid 63 through 83 )
103	X-RAY DIFFRACTION	103	chain 'K' and (resid 84 through 125 )
104	X-RAY DIFFRACTION	104	chain 'K' and (resid 126 through 145 )
105	X-RAY DIFFRACTION	105	chain 'K' and (resid 146 through 160 )
106	X-RAY DIFFRACTION	106	chain 'K' and (resid 161 through 175 )
107	X-RAY DIFFRACTION	107	chain 'K' and (resid 176 through 195 )
108	X-RAY DIFFRACTION	108	chain 'K' and (resid 196 through 210 )
109	X-RAY DIFFRACTION	109	chain 'K' and (resid 211 through 219 )
110	X-RAY DIFFRACTION	110	chain 'L' and (resid 1 through 110 )
111	X-RAY DIFFRACTION	111	chain 'L' and (resid 111 through 145 )
112	X-RAY DIFFRACTION	112	chain 'L' and (resid 146 through 219 )

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