PDB-4q2u: Crystal structure of the E. coli DinJ-YafQ toxin-antitoxin complex

ID or keywords:

Entry

Database: PDB / ID: 4q2u

Title

Crystal structure of the E. coli DinJ-YafQ toxin-antitoxin complex

Components

Antitoxin DinJ
mRNA interferase YafQ

Keywords

TOXIN/TOXIN REPRESSOR / Bacterial Toxin-Antitoxin complex / Translation control / RHH motif / Ribonuclease / DNA binding / Ribosome binding / TOXIN-TOXIN REPRESSOR complex

Function / homology

Function and homology information

negative regulation of DNA-templated transcription initiation / toxin-antitoxin complex / single-species biofilm formation / regulation of growth / mRNA catabolic process / toxic substance binding / translational termination / cis-regulatory region sequence-specific DNA binding / RNA endonuclease activity / RNA endonuclease activity producing 3'-phosphomonoesters, hydrolytic mechanism ...
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.8 Å

Authors

Maehigashi, T. / Ruangprasert, A. / Dunham, C.M.

Citation

Journal: J.Biol.Chem. / Year: 2014
Title: Mechanisms of Toxin Inhibition and Transcriptional Repression by Escherichia coli DinJ-YafQ.
Authors: Ruangprasert, A. / Maehigashi, T. / Miles, S.J. / Giridharan, N. / Liu, J.X. / Dunham, C.M.

History

Deposition	Apr 9, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 11, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jul 2, 2014	Group: Database references
Revision 1.2	Aug 6, 2014	Group: Database references
Revision 1.3	Nov 6, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4q2u.cif.gz	596.7 KB	Display	PDBx/mmCIF format
PDB format	pdb4q2u.ent.gz	499.8 KB	Display	PDB format
PDBx/mmJSON format	4q2u.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4q2u_validation.pdf.gz	558.7 KB	Display	wwPDB validaton report
Full document	4q2u_full_validation.pdf.gz	566.3 KB	Display
Data in XML	4q2u_validation.xml.gz	74 KB	Display
Data in CIF	4q2u_validation.cif.gz	98.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/q2/4q2u ftp://data.pdbj.org/pub/pdb/validation_reports/q2/4q2u	HTTPS FTP

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Related structure data

Similar structure data	4ml0-4 4ml0-1 4ml0-3 6vv2-d 3l0w-d 2ozg-d 4ml0-2 3l10-d 2fep-d 7bvi-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Antitoxin DinJ

B: mRNA interferase YafQ

C: Antitoxin DinJ

D: mRNA interferase YafQ

E: Antitoxin DinJ

F: mRNA interferase YafQ

G: Antitoxin DinJ

H: mRNA interferase YafQ

I: Antitoxin DinJ

J: mRNA interferase YafQ

K: Antitoxin DinJ

L: mRNA interferase YafQ

M: Antitoxin DinJ

N: mRNA interferase YafQ

O: Antitoxin DinJ

P: mRNA interferase YafQ

hetero molecules

179 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Antitoxin DinJ

B: mRNA interferase YafQ

O: Antitoxin DinJ

P: mRNA interferase YafQ

hetero molecules

defined by author&software
44.7 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Antitoxin DinJ

D: mRNA interferase YafQ

K: Antitoxin DinJ

L: mRNA interferase YafQ

hetero molecules

defined by author&software
44.6 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: Antitoxin DinJ

F: mRNA interferase YafQ

I: Antitoxin DinJ

J: mRNA interferase YafQ

hetero molecules

defined by author&software
44.5 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

G: Antitoxin DinJ

H: mRNA interferase YafQ

M: Antitoxin DinJ

N: mRNA interferase YafQ

hetero molecules

defined by author&software
44.7 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	176.540, 120.920, 120.830
Angle α, β, γ (deg.)	90.00, 130.77, 90.00
Int Tables number	5
Space group name H-M	C121

#1: Protein	Antitoxin DinJ Mass: 9512.576 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: dinJ, b0226, JW0216 / Plasmid: pET21c / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q47150
#2: Protein	mRNA interferase YafQ / Endoribonuclease YafQ / Toxin YafQ Mass: 12221.604 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: yafQ, b0225, JW0215 / Plasmid: pET21c / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q47149, Hydrolases; Acting on ester bonds
#3: Chemical	... ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 49 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1142 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.81 Å³/Da / Density % sol: 56.21 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop Details: 1.9-2.3M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.97 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 7, 2011
Radiation	Monochromator: KOHZU DIAMOND MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97 Å / Relative weight: 1
Reflection	Resolution: 1.76→50 Å / Num. all: 353442 / Num. obs: 353442 / % possible obs: 98.9 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 1.4 % / B_iso Wilson estimate: 20.4 Å² / R_sym value: 0.092
Reflection shell	Resolution: 1.76→1.82 Å / R_sym value: 0.614 / % possible all: 94.41

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Processing

Software

Name	Version	Classification
SHELXD		phasing
PHENIX		model building
PHENIX	(phenix.refine: 1.8.1_1168)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.8→43.906 Å / SU ML: 0.21 / σ(F): 1.33 / Phase error: 21.62 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2146	3563	1.06 %
R_work	0.1781	-	-
obs	0.1785	335490	95.66 %

Solvent computation

Shrinkage radii: 1 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 1.8→43.906 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11137	0	245	1142	12524

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.015	11662
X-RAY DIFFRACTION	f_angle_d	1.424	15771
X-RAY DIFFRACTION	f_dihedral_angle_d	10.809	4408
X-RAY DIFFRACTION	f_chiral_restr	0.096	1743
X-RAY DIFFRACTION	f_plane_restr	0.008	1978

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 (%)
1.8-1.8247	0.3534	115	0.3219	11781	X-RAY DIFFRACTION	86
1.8247-1.8507	0.3738	148	0.3105	12806	X-RAY DIFFRACTION	92
1.8507-1.8784	0.3069	135	0.2944	13196	X-RAY DIFFRACTION	94
1.8784-1.9077	0.2865	148	0.2823	13157	X-RAY DIFFRACTION	96
1.9077-1.939	0.2834	138	0.2751	13416	X-RAY DIFFRACTION	96
1.939-1.9724	0.3167	148	0.2663	13327	X-RAY DIFFRACTION	96
1.9724-2.0083	0.2411	154	0.2493	13404	X-RAY DIFFRACTION	97
2.0083-2.0469	0.2831	141	0.2302	13431	X-RAY DIFFRACTION	97
2.0469-2.0887	0.2563	137	0.2151	13390	X-RAY DIFFRACTION	97
2.0887-2.1341	0.2469	151	0.2026	13436	X-RAY DIFFRACTION	97
2.1341-2.1837	0.2057	138	0.1861	13503	X-RAY DIFFRACTION	97
2.1837-2.2384	0.2146	155	0.1845	13518	X-RAY DIFFRACTION	97
2.2384-2.2989	0.204	139	0.1752	13434	X-RAY DIFFRACTION	97
2.2989-2.3665	0.2338	159	0.1789	13448	X-RAY DIFFRACTION	97
2.3665-2.4429	0.2248	130	0.1795	13486	X-RAY DIFFRACTION	97
2.4429-2.5302	0.2262	157	0.1739	13405	X-RAY DIFFRACTION	97
2.5302-2.6315	0.2212	127	0.1655	13520	X-RAY DIFFRACTION	97
2.6315-2.7512	0.259	156	0.1642	13444	X-RAY DIFFRACTION	97
2.7512-2.8963	0.1728	138	0.1592	13438	X-RAY DIFFRACTION	97
2.8963-3.0777	0.2102	135	0.1563	13330	X-RAY DIFFRACTION	97
3.0777-3.3152	0.2108	155	0.1603	13345	X-RAY DIFFRACTION	96
3.3152-3.6487	0.1775	147	0.1401	13313	X-RAY DIFFRACTION	96
3.6487-4.1763	0.1331	146	0.1298	13202	X-RAY DIFFRACTION	95
4.1763-5.2603	0.1843	135	0.1362	12985	X-RAY DIFFRACTION	93
5.2603-43.9187	0.2174	131	0.1868	13212	X-RAY DIFFRACTION	95

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	0.0326	0.1113	0.0311	0.2061	0.1022	0.1487	-0.2243	0.0564	-0.2288	0.289	0.1082	0.133	-0.1425	0.0924	-0	0.1681	0.0252	0.0206	0.1729	0.0011	0.1591	21.4378	114.9174	16.7113
2	0.1202	0.077	-0.0591	0.179	0.1342	0.0762	-0.0793	-0.1836	0.1652	0.18	0.0977	-0.0634	-0.1413	0.1023	-0	0.1628	0.0065	-0.0069	0.1832	-0.0257	0.2065	36.3291	119.1281	13.2355
3	-0.1092	-0.0258	-0.2628	0.3141	0.3338	0.2249	0.0327	-0.0074	0.0662	0.0241	0.0422	-0.0963	0.0149	0.0723	0	0.1401	0.0231	-0.0099	0.136	-0.021	0.1498	30.4248	106.9867	-0.312
4	0.0998	-0.027	-0.0675	0.0002	0.0559	0.0512	-0.124	0.2545	-0.292	-0.0824	0.0932	-0.1758	0.0377	0.0743	-0.0007	0.2235	0.0007	-0.0109	0.2167	-0.0155	0.1523	36.9545	86.0786	-18.8865
5	0.0534	0.0207	-0.0221	0.0159	-0.0086	0.0261	0.2203	0.435	-0.3861	-0.185	-0.0456	0.2382	0.2197	-0.3228	0.025	0.2722	0.0123	-0.0645	0.2051	-0.0456	0.2042	26.1232	86.82	-21.6857
6	-0.0031	-0.0026	0.0224	0.077	0.0459	0.0682	0.1857	0.3535	-0.2681	-0.1093	-0.1147	-0.0891	-0.0501	0.2632	0.0007	0.1864	0.0427	-0	0.2615	-0.0329	0.136	36.5136	92.5452	-21.5207
7	0.0371	-0.0498	0.0424	0.037	-0.0432	0.0179	0.0573	-0.0234	0.0091	0.0358	-0.0379	-0.0136	0.1223	-0.0351	-0	0.1536	-0.0058	-0.0138	0.1147	-0.0002	0.1579	25.574	87.649	-9.1499
8	0.0362	-0.1467	0.0513	0.193	0.0054	0.1411	-0.0443	-0.0269	0.0199	-0.057	0.0963	0.1141	0.1326	-0.0769	0.003	0.136	0.0123	-0.0301	0.2001	-0.0035	0.136	21.604	95.8199	-15.8619
9	0.0289	-0.005	0.0472	0.035	0.0033	0.0389	-0.0302	0.0596	0.1106	-0.2218	-0.0875	-0.0149	-0.1438	-0.1159	-0	0.1742	0.0187	-0.0003	0.1559	0.0082	0.1827	28.4846	106.5258	-20.9373
10	0.1119	0.1394	-0.0938	0.2617	0.002	0.3408	0.0579	-0.0952	0.0002	0.1882	-0.0315	-0.1682	-0.2833	0.1357	0.0767	0.1241	-0.0243	-0.0332	0.1649	-0.0183	0.1825	37.5835	104.7503	-8.6174
11	0.1061	-0.0109	0.1071	0.2516	0.1518	0.0806	0.0098	-0.1661	0.029	0.0584	-0.0604	-0.0041	-0.0108	-0.0478	-0.0307	0.086	0.0218	-0.0083	0.126	-0.0145	0.1137	29.589	101.0937	-10.8477
12	0.3097	0.0569	0.3436	0.3917	0.1374	0.2719	0.01	0.028	-0.0283	0.0321	-0.0209	-0.059	0.059	-0.0076	0	0.1127	0.013	-0.0143	0.1306	0.001	0.1144	33.6236	96.7205	-10.6366
13	0.1607	0.0951	-0.0418	0.2354	0.1491	0.0929	0.0283	-0.0657	-0.1016	0.1028	0.0709	0.2654	0.0143	-0.1204	-0.0094	0.1708	0.0328	0.0248	0.2124	0.0415	0.143	-8.3603	85.1519	70.4587
14	0.0437	0.0353	-0.0339	0.0838	0.0296	0.0161	-0.0068	0.1847	-0.0732	0.0053	0.0453	0.1538	0.1224	-0.1461	0	0.202	-0.024	-0.0113	0.1723	0.0031	0.1804	-6.7037	80.7379	55.6159
15	0.0927	0.2984	-0.1807	0.3149	0.0474	0.139	-0.0392	0.0485	0.0454	-0.0659	0.0251	0.0684	0.0671	-0.0079	-0.0045	0.1208	-0.0081	-0.0111	0.139	0.0265	0.1393	7.1058	93.4182	59.2385
16	0.0343	0.03	-0.0343	0.0374	-0.0201	0.0606	-0.0863	0.158	0.1021	-0.0954	0.0566	-0.1053	-0.3801	0.2078	-0	0.1814	-0.0463	-0.027	0.2052	0.0179	0.2128	23.6447	114.7379	50.095
17	0.0116	-0.024	-0.0084	0.0162	0.0179	0.0181	-0.1509	-0.0848	0.2013	0.0561	-0.0744	-0.2234	-0.4397	0.4267	0	0.2065	-0.0679	-0.0577	0.2538	0.0098	0.291	27.9248	114.4001	60.4806
18	0.7267	0.0121	-0.0372	0.2946	-0.1462	0.296	-0.2475	0.3863	0.013	-0.0373	-0.0743	-0.104	-0.2198	0.4324	-0.0466	0.1359	-0.034	0.0015	0.3412	0.0361	0.1777	26.206	108.5026	50.2145
19	0.0229	-0.0167	-0.0205	0.0449	-0.0359	0.0318	0.0184	0.0078	0.1456	0.0233	0.0158	-0.0142	-0.0947	0.0222	-0	0.1581	0.0028	-0.0198	0.1498	0.0019	0.1606	15.5963	113.1503	62.6202
20	0.1116	-0.0946	0.1013	0.177	-0.0946	0.1858	-0.1049	-0.1016	0.1329	0.2153	0.1242	-0.0821	0.013	-0.0158	0.0296	0.146	0.0208	-0.0417	0.2374	0.0221	0.1513	23.8003	105.1749	65.6874
21	0.0457	-0.0056	0.0413	0.0367	-0.0305	0.0096	0.0726	-0.1299	-0.1692	-0.2014	-0.1399	-0.1068	0.3271	0.3253	0	0.2151	0.0568	0.0027	0.213	0.0377	0.2119	27.8545	94.7173	58.7702
22	0.2375	-0.1614	0.0351	0.1433	0.039	0.3069	-0.0566	-0.1016	-0.2954	-0.2893	0.0943	0.1451	0.1643	-0.3974	-0.0045	0.182	-0.025	-0.0361	0.1778	-0.0056	0.1545	14.322	95.556	51.2679
23	0.0065	-0.0503	-0.0216	0.208	0.0176	0.0074	0.0483	-0.1101	-0.0099	0.039	-0.0339	0.0678	0.0481	-0.0584	-0	0.1233	-0.0103	-0.0167	0.1655	0.0288	0.128	17.4177	99.5877	58.8159
24	0.158	-0.0199	0.2489	0.1792	-0.0574	0.2889	-0.0294	-0.014	-0.0172	-0.0359	-0.0279	0.0564	0.041	0.0581	-0.0006	0.1094	-0.01	-0.0079	0.1503	0.0254	0.1409	16.487	103.7763	54.7471
25	0.2638	0.0596	-0.1564	0.1424	0.0493	0.0775	0.0889	-0.0079	0.0587	-0.0123	0.0578	0.0143	-0.2173	0.1158	-0	0.2345	0.0096	-0.0024	0.1687	0.0286	0.1799	9.3669	127.3309	30.3463
26	0.1737	0.0183	-0.2172	0.1565	-0.1158	0.1101	0.0307	-0.0372	0.1322	0.1291	-0.1409	-0.1586	-0.0997	0.1551	-0.0005	0.1395	-0.0106	0.0024	0.1959	0.0228	0.186	18.8754	115.1851	32.8906
27	0.3462	0.3162	-0.181	0.5054	-0.0044	-0.0477	0.0153	-0.043	-0.034	-0.0115	-0.0556	-0.0789	0.0008	0.0033	0.0001	0.1404	-0.0192	-0.0089	0.141	0.0189	0.1315	0.8979	108.4262	33.8365
28	0.0621	-0.0207	-0.0263	0.1476	-0.0647	0.0386	0.0102	0.0056	-0.0042	0.1235	-0.0079	0.2014	0.0358	-0.0551	0	0.2012	-0.0268	0.004	0.234	-0.002	0.2014	-17.6435	90.1081	45.0429
29	0.0141	-0.0054	-0.0246	0.0153	0.008	0.0124	0.0689	-0.1238	-0.1258	-0.1913	-0.1954	0.4076	-0.0199	-0.4446	-0.0009	0.1507	-0.0262	-0.0219	0.287	-0.0264	0.2249	-24.9027	94.7371	37.658
30	0.0653	-0.069	0.0444	0.0333	-0.0697	0.0805	0.038	-0.1756	-0.2499	-0.0137	0.168	-0.1388	0.125	-0.1884	0.0003	0.1733	-0.0537	-0.0215	0.1828	0.0015	0.2018	-14.9209	88.358	38.8408
31	0.0051	-0.0747	-0.0163	0.0373	0.0641	0.0578	0.0032	-0.0799	0.0031	0.0759	-0.0845	0.1186	-0.012	-0.188	-0.0004	0.1019	0.0108	-0.0082	0.1626	-0.0159	0.1298	-18.6902	104.8396	42.1182
32	0.0831	0.1131	-0.0588	0.1745	-0.1469	0.2618	-0.0017	-0.0599	0.0729	0.0612	-0.0271	-0.0108	-0.0264	-0.2412	-0.0299	0.1567	0.0084	-0.0469	0.186	0.0022	0.1543	-19.0133	101.4445	30.6654
33	0.0321	0.0147	-0.0318	0.0229	0.0465	0.0665	-0.2316	0.1192	0.0132	-0.3355	0.0842	0.1167	0.1817	0.038	-0	0.194	0.0023	-0.0051	0.1703	0.0065	0.1431	-10.4881	93.7746	24.3297
34	0.2106	0.0792	-0.0717	0.3209	0.235	0.1725	0.0017	0.0066	-0.1343	-0.009	0.0515	-0.0079	-0.1097	0.4391	0.0032	0.1063	0.0003	-0.0073	0.1765	0.0142	0.1667	-0.2264	97.7483	35.2121
35	0.1509	-0.0317	-0.1306	0.0204	0.1074	0.1662	0.0012	0.05	0.0764	0.0003	-0.0683	-0.0068	-0.0069	0.0577	-0.0337	0.1197	-0.0101	-0.031	0.125	0.0164	0.1303	-8.4199	101.0032	33.1552
36	0.2477	-0.0341	0.145	0.0782	-0.071	0.276	0.0363	-0.0094	-0.0274	0.0379	-0.0463	0.0153	0.0301	-0.0243	0.001	0.1263	-0.028	-0.0068	0.115	0.0196	0.1352	-8.7327	98.6068	38.6114
37	0.0741	0.1495	-0.0511	0.2041	0.0137	0.2586	-0.0817	0.2101	-0.2079	-0.0287	0.0776	-0.0207	0.0468	0.0597	0	0.1704	0.0177	-0.0216	0.1734	-0.0176	0.2501	58.3976	72.5588	-7.567
38	0.0257	0.0323	-0.0855	0.0906	-0.019	0.1051	-0.0432	0.307	-0.1431	-0.2331	-0.0433	0.0695	0.036	-0.0176	-0.0023	0.1966	0.029	-0.0031	0.2098	-0.0021	0.1397	54.7893	85.1308	-16.3269
39	0.0941	-0.0891	0.0083	0.0143	0.0038	0.0589	-0.0573	0.1466	-0.0525	-0.0418	0.0182	-0.0273	-0.1279	0.293	-0	0.1732	0.0169	0.0084	0.159	-0.0105	0.1664	66.3377	83.7155	-5.3556
40	0.0093	0.0593	0.0565	0.075	0.098	0.0889	0.0427	0.1649	-0.0521	-0.0866	-0.1052	0.0072	0.0143	-0.0161	0	0.1687	0.0108	-0.0172	0.1711	-0.0362	0.1667	56.6875	91.4248	2.6052
41	0.1376	-0.0707	-0.0799	0.0408	0.0654	0.1074	0.1506	0.063	-0.0703	-0.0561	-0.2282	0.2493	-0.0417	-0.1782	0.0177	0.1063	0.0278	-0.0198	0.1703	-0.0285	0.1667	43.149	100.7134	10.2038
42	0.0537	-0.0572	0.1292	0.2345	-0.2047	0.2322	-0.1326	-0.2545	-0.0073	0.1954	0.1837	0.1539	-0.2567	-0.2882	0.0561	0.1813	0.0393	-0.0117	0.2037	-0.0819	0.1596	47.4276	108.9539	21.8331
43	0.2957	0.1798	-0.1702	0.1913	-0.1053	0.0831	-0.0828	-0.7427	0.0239	0.3416	0.0807	-0.3192	0.0045	-0.0318	-0.0027	0.2255	0.0187	-0.0301	0.3184	-0.0521	0.1531	55.7965	103.5847	28.5452
44	0.0469	0.0072	0.046	0.0127	-0.0374	0.0424	-0.1025	-0.1943	0.3088	0.0715	0.013	0.0617	-0.2249	-0.0725	0	0.1927	0.0102	-0.0338	0.187	-0.0281	0.2268	53.9572	110.8576	18.8985
45	0.0734	-0.0441	-0.0223	0.0471	-0.0217	0.0133	0.15	-0.3114	0.0348	0.1164	-0.0802	0.1179	0.0159	-0.1187	0	0.1517	-0.0088	-0.0227	0.1787	0.011	0.1486	50.3385	94.0302	22.3789
46	0.1761	0.0221	-0.0378	0.0562	0.0787	0.2302	0.0346	-0.1112	-0.0954	-0.0287	-0.0209	-0.0124	0.0498	0.0434	-0.0055	0.1136	0.0125	-0.0492	0.1703	-0.0189	0.1555	61.7266	96.8879	21.613
47	0.0945	-0.0249	0.0893	0.0251	0.0187	0.046	0.0825	-0.0008	0.1169	0.0916	0.1207	-0.4534	-0.0796	0.2613	-0	0.1476	0.0151	-0.001	0.191	-0.0203	0.2126	67.5372	104.8672	12.7189
48	0.0783	0.0235	-0.1787	0.0182	-0.0618	0.2212	0.0081	0.3781	0.0195	-0.2666	0.0283	0.0411	-0.1418	-0.028	0	0.1697	0.0142	-0.0303	0.1762	0.0105	0.1636	55.3399	102.044	3.6462
49	0.1616	-0.0116	-0.1845	0.0302	-0.0807	0.1931	0.0388	0.0081	0.0193	-0.0455	0.0247	-0.0034	0.0723	0.0433	0.065	0.1016	0.0191	-0.0209	0.117	-0.0241	0.1261	58.2496	98.2145	11.3432
50	0.233	-0.1044	-0.1001	0.0583	-0.0641	0.1765	-0.0162	0.039	0.0101	0.0528	0.0383	-0.0004	0.0094	0.0156	-0.0002	0.1042	0.009	-0.036	0.1073	-0.0225	0.1612	53.0549	100.7603	12.4534
51	0.0682	0.0203	-0.0734	0.2055	-0.0247	0.0576	-0.0497	0.0671	-0.0935	-0.1087	0.3368	-0.3123	-0.3888	0.2095	0.0013	0.2982	-0.0334	-0.0064	0.1841	0.0096	0.185	11.8824	127.4166	29.9166
52	0.1201	-0.0998	-0.0816	0.1447	0.1351	0.097	0.0477	0.0252	0.0251	-0.1018	-0.0358	0.0829	-0.1694	-0.1617	0.0002	0.1633	0.0386	-0.0201	0.1678	-0.001	0.1859	-2.6369	122.1918	26.063
53	0.0622	-0.02	0.0034	-0.0179	0.0004	0.0654	-0.0107	0.0776	-0.0501	0.1685	-0.1039	0.0996	-0.0593	0.0828	0	0.1457	0.0013	0.0051	0.1351	-0.0044	0.1556	7.9264	114.5674	35.3986
54	0.2626	-0.2495	-0.1526	0.2764	-0.0074	0.1394	0.0039	0.0723	0.0643	-0.0292	0.0187	0.0295	0.0075	-0.1891	0	0.2093	-0.0233	0.0044	0.1768	0.0057	0.1396	9.6796	102.2002	15.5985
55	0.4635	0.0388	0.1713	0.0523	-0.0454	0.1147	-0.3412	0.5042	-0.437	-0.1469	0.0252	-0.2651	0.4142	0.1862	-0.0472	0.5547	0.0001	0.1152	0.2233	-0.0458	0.3434	14.5649	83.9709	7.8802
56	0.0175	-0.0011	0.0046	0.0232	0.0245	0.0196	-0.1073	0.0739	-0.3326	-0.2059	0.0195	-0.6128	0.1572	0.209	-0.0649	0.4301	0.1582	0.1449	0.3228	-0.0072	0.4451	23.2271	82.1463	15.7239
57	0.2393	-0.0758	0.1492	0.0412	-0.054	0.1201	-0.1057	0.2287	-0.1618	0.3051	-0.0291	0.1733	0.3597	-0.0741	-0.0334	0.4928	-0.0663	0.1273	0.1656	-0.0573	0.355	11.6493	82.3323	14.3471
58	0.0858	0.0089	-0.0328	0.0456	-0.0482	0.063	-0.1359	-0.0531	-0.0895	-0.1435	-0.1644	-0.1025	0.2856	0.2839	-0.0114	0.258	0.0758	0.0768	0.303	0.0664	0.2288	23.6977	94.5216	13.3065
59	0.0819	-0.0447	-0.0959	0.0021	0.0071	0.5118	-0.1233	-0.0274	-0.1023	0.0096	-0.0442	-0.2677	0.4673	0.7362	0.0272	0.2717	0.0517	0.051	0.3138	0.1126	0.3005	21.8669	89.7807	24.1444
60	0.4831	0.3119	0.3216	0.2922	0.2575	0.219	-0.1197	-0.1997	-0.0956	0.1974	-0.1712	0.0481	0.5512	-0.1898	-0.0771	0.4427	-0.0088	0.0707	0.2047	0.0365	0.2177	10.5869	87.1035	29.8277
61	0.1237	-0.071	-0.1494	0.1001	-0.0005	0.1011	-0.0236	0.0685	-0.0903	0.1832	0.0835	0.3085	0.0348	-0.2867	0	0.1427	-0.0173	-0.0091	0.2007	0.0148	0.1473	4.1148	97.5201	20.1673
62	0.1354	-0.0764	-0.2391	0.1937	-0.059	0.4524	-0.1191	-0.016	-0.0571	-0.0023	0.0741	-0.1097	0.119	0.1018	-0.0028	0.1904	-0.0109	0.0304	0.1495	0.0119	0.1678	12.292	94.8939	19.3193
63	0.0055	0.0467	0.0577	0.0421	0.1088	0.2633	0.2124	0.3927	-0.034	-0.1206	-0.2202	-0.2336	0.2961	0.6189	0.0396	0.327	0.0207	0.2085	0.4394	0.0249	0.4318	29.3133	73.3326	42.7298
64	0.0023	0.0172	-0.0072	0.0552	0.0039	0.049	-0.0113	-0.0854	-0.1428	-0.3772	0.0981	-0.0902	0.7684	0.0533	0	0.4263	-0.0041	0.0157	0.199	-0.0112	0.2698	14.627	63.4589	46.3801
65	0.0694	-0.1288	0.1058	0.1591	-0.0955	0.1321	0.1436	0.2919	-0.0641	-0.6927	0.0117	0.0849	0.4828	-0.0303	0.0002	0.4605	-0.0356	0.0133	0.3222	0.0219	0.2293	13.1408	72.6579	39.0788
66	0.7395	0.1956	0.1739	0.1604	0.1826	0.2306	0.0666	0.1258	0.584	-0.5947	-0.1675	-0.3094	-0.036	-0.0334	-0.062	0.3548	0.0457	0.126	0.2773	0.0815	0.2813	18.2712	84.4765	40.4918
67	0.0119	0.016	0.0171	0.0849	0.0376	0.0368	0.0479	-0.2816	0.0253	0.1239	0.141	0.039	-0.286	-0.0155	-0	0.2139	-0.015	-0.0209	0.2166	0.0305	0.2233	19.5191	81.262	55.724
68	0.0795	-0.0827	-0.0687	0.2433	-0.1157	0.1294	-0.0593	0.0926	-0.0847	-0.1011	0.0208	-0.0211	-0.052	-0.1664	-0	0.1812	0.0033	0.0172	0.1771	0.0065	0.186	15.1492	77.1559	48.8761
69	0.1787	-0.1549	0.2779	0.261	0.0146	0.403	0.0126	-0.0281	-0.0505	-0.1376	-0.0415	-0.1437	0.0589	0.1118	0	0.2078	-0.0088	0.0529	0.1646	0.0129	0.2673	19.0474	73.3589	51.2223
70	0.1402	-0.0563	-0.1602	0.1031	0.0802	0.1293	-0.0337	-0.0416	-0.2157	0.2363	-0.1741	-0.0394	0.0114	-0.219	-0.0101	0.2303	-0.012	0.0092	0.2218	0.0486	0.2428	-8.8757	82.6989	70.0284
71	0.1597	-0.0067	-0.0711	0.0786	0.1023	0.1008	-0.0192	-0.1574	-0.0024	0.1628	0.0744	0.0669	0.0383	0.2086	0	0.2063	0.0032	0.0204	0.2339	-0.0174	0.1333	3.8947	89.9053	74.6669
72	0.0758	0.1023	-0.0397	0.5514	0.2064	0.2879	0.005	0.0339	-0.0162	0.0339	-0.048	-0.0316	0.028	0.0139	-0.0409	0.118	0.0048	0.0129	0.1209	0.0378	0.1348	8.2839	80.7751	58.8041
73	0.4353	0.1838	0.2089	0.1617	-0.0017	0.266	0.2343	0.3993	-0.5175	-0.524	0.2927	-0.664	-0.0256	-0.0445	0.142	0.4579	0.1227	0.2238	0.4265	0.0084	0.5242	29.1895	65.3402	45.8272
74	0.0046	0.0225	0.0116	0.0138	-0.0096	0.0275	-0.0417	0.5011	-0.3197	-0.481	-0.0491	-0.0583	0.1154	-0.0187	0	0.5706	0.0782	0.1049	0.3822	-0.0836	0.3111	21.637	65.5885	36.43
75	0.0354	0.0071	-0.0789	0.1606	0.0188	0.0772	-0.0582	0.1237	-0.3912	-0.2362	0.0955	-0.0482	0.04	0.0652	0	0.2002	0.0159	0.0195	0.1793	-0.0351	0.2428	59.9975	72.9367	-9.9686
76	0.0039	0.1073	-0.0756	0.1965	-0.0152	0.1422	-0.1044	-0.2451	-0.1922	0.1093	-0.0248	-0.1756	0.0361	0.2036	-0	0.2326	0.0162	-0.0091	0.1553	0.0327	0.2095	64.3042	77.5328	3.8446
77	0.0261	-0.0311	0.0991	0.0764	0.1448	0.1843	0.0227	0.0506	-0.0142	0.1944	0.0138	0.109	-0.1072	-0.0135	0.0001	0.1172	0.0017	-0.0012	0.0987	-0.0096	0.12	53.6488	85.4578	-5.1515
78	0.0305	0.0598	-0.0215	0.0229	-0.064	0.0047	-0.1688	-0.1029	0.2405	-0.073	0.1484	0.0098	-0.0528	0.0138	0	0.1912	-0.0094	0.0214	0.192	-0.0064	0.2072	65.384	93.6757	-8.1086
79	0.009	-0.0015	-0.0272	0.0487	-0.0021	0.0475	0.0382	-0.2498	0.0403	0.0153	0.0096	-0.4111	0.0231	0.3283	0	0.1596	-0.0446	0.0325	0.2476	-0.0528	0.269	81.3338	101.6858	-10.1558
80	0.0329	-0.0177	0.0195	0.0485	0.0347	0.1317	-0.0442	0.2243	0.2674	-0.1235	0.2128	-0.0341	-0.6505	0.443	0.0031	0.4656	-0.1328	0.1138	0.3367	0.0014	0.5864	80.7264	115.9242	-14.2501
81	-0.0039	-0.0135	0.0057	0.0097	-0.0057	0.0418	-0.0223	0.4803	0.2367	-0.4502	0.068	-0.0944	-0.451	-0.0977	0.001	0.6782	-0.0055	0.127	0.3515	0.1046	0.4334	71.6735	118.1759	-21.7978
82	0.043	-0.0833	0.0533	0.1546	-0.1089	0.0885	0.0555	-0.0308	0.5968	0.0641	-0.2087	-0.1373	-0.1168	0.2945	-0.1981	0.449	-0.323	0.2325	-0.5979	-0.0734	0.4991	75.0084	116.9204	-10.6935
83	0.0441	0.0333	-0.0421	0.0281	0.0267	0.0589	0.2481	0.3938	-0.0354	-0.2314	-0.0204	-0.1011	-0.2159	0.3553	-0	0.2981	0.0198	0.0755	0.3117	0.0294	0.2231	73.7958	105.8834	-23.0168
84	0.6057	-0.1942	-0.2229	0.072	0.0155	0.1757	0.3219	0.8301	0.3738	-0.2405	-0.1211	0.0041	-0.4066	-0.3517	0.0268	0.3352	0.1038	0.0735	0.2967	0.0512	0.301	63.3702	110.6033	-19.604
85	0.3732	0.1358	0.6641	0.3514	-0.0082	1.4003	0.5361	-0.2173	0.816	0.1849	-0.0054	0.3928	-0.1644	-0.4618	0.1625	0.2787	0.0102	0.1325	0.2003	-0.0415	0.4734	59.2501	112.9275	-7.5343
86	0.0601	0.0039	-0.1108	0.0479	-0.0677	0.1329	-0.041	-0.0593	-0.0579	0.1569	0.0557	0.1057	0.0697	0.1515	-0	0.1997	0.0106	-0.0055	0.2243	-0.0277	0.1791	69.5062	102.172	-2.8152
87	0.115	-0.0447	-0.1707	0.1381	-0.0621	0.1714	0.0161	0.1324	0.0758	-0.2024	0.1346	-0.0188	-0.1283	-0.1275	0.0189	0.2111	-0.0025	0.0238	0.1842	-0.0102	0.2106	66.379	104.5142	-10.997
88	0.2627	0.0335	-0.075	0.1553	-0.2481	0.286	0.0074	0.0915	0.1657	0.0836	0.021	0.04	-0.0927	0.0543	0	0.2397	-0.0318	0.0505	0.191	-0.0325	0.2306	72.2122	105.6805	-10.7894
89	0.1081	0.0756	-0.1148	0.1108	0.024	0.085	0.0319	-0.1933	-0.005	0.1565	-0.0504	0.1623	-0.1866	-0.1215	-0	0.2088	0.022	0.0076	0.2256	0.0017	0.2228	22.1878	117.4872	17.0944
90	0.0807	0.1487	-0.0529	0.1507	-0.0919	0.144	-0.1552	0.0029	0.045	0.0472	0.2423	0.0888	-0.0379	-0.1451	0	0.1314	-0.0197	0.0089	0.193	0.0007	0.1558	15.9408	110.3025	5.1359
91	0.1213	-0.1039	-0.1595	0.2612	0.0044	0.1838	0.0144	-0.0086	0.0226	-0.1224	-0.0215	-0.0059	0.0539	-0.003	0.0003	0.1442	0.0044	-0.0067	0.1159	0.005	0.1229	31.0349	119.7223	-1.728
92	0.1205	0.0335	0.0634	0.1633	0.1413	0.2197	-0.2896	0.0137	0.1726	-0.8338	0.1104	-0.376	-0.5676	0.5208	-0.0533	0.584	0.0225	0.1854	0.3706	0.0762	0.3854	41.2619	135.2216	-23.4222
93	0.0155	0.0215	0.0233	0.0327	0.0291	0.0337	-0.0561	0.0446	-0.0813	0.0328	0.1298	-0.479	-0.3264	0.5805	0.0035	0.4019	-0.1059	0.1672	0.3666	0.0112	0.5438	51.5978	134.8451	-17.192
94	0.2218	-0.0125	0.0794	-0.0046	-0.0055	0.065	-0.057	0.3172	0.1149	-0.4594	-0.062	-0.3158	0.0922	0.0504	-0.1381	0.5236	0.0352	0.2063	0.3213	0.0231	0.2702	43.9898	128.2907	-23.446
95	0.0146	-0.0317	0.0262	0.037	-0.0105	0.0538	-0.1102	-0.0081	0.4453	-0.1069	0.056	-0.4394	-0.1783	-0.092	0.0115	0.2772	-0.0196	0.0111	0.1649	-0.025	0.4141	42.6738	137.0333	-8.5139
96	0.1251	-0.2038	0.0982	0.2159	-0.09	0.0569	0.006	-0.0147	0.2973	0.0029	0.1435	-0.6584	-0.1432	0.1569	-0.0239	0.2407	0.0067	0.0537	0.2576	-0.0595	0.4211	49.7055	128.0804	-7.95
97	-0.0084	-0.0073	-0.0162	0.0179	-0.0317	0.0057	0.1687	0.0392	-0.071	-0.3767	0.0652	-0.478	0.3284	0.1107	0	0.3711	0.0366	0.1018	0.2456	0.0107	0.3369	48.2325	115.9478	-13.5691
98	0.0809	0.1149	-0.054	0.1186	-0.0048	0.0398	0.0359	0.0682	-0.2393	-0.0947	-0.0374	0.1919	0.1263	-0.0727	-0	0.1822	-0.0141	-0.012	0.1557	-0.0141	0.2216	32.8942	118.9912	-12.8657
99	0.134	-0.0682	-0.0441	0.2997	0.0028	0.0184	0.014	-0.1957	-0.0139	-0.0461	-0.0168	-0.1797	-0.137	0.1139	0.0002	0.1955	-0.0014	0.0254	0.179	0.0002	0.2101	40.1913	123.1106	-9.3254
100	0.1708	0.0355	-0.016	0.1469	-0.1071	0.0781	-0.0583	0.2005	0.1017	-0.2028	0.0053	-0.1229	0.014	-0.0088	-0.0205	0.2988	0.0007	0.0749	0.1629	0.0114	0.2084	39.6066	126.3364	-18.7555
101	0.0066	-0.0065	0.0008	0.0025	0.0085	0.0043	-0.1235	-0.3516	-0.0446	0.089	-0.075	0.0342	-0.1034	-0.1498	0	0.2013	-0.0087	0.0272	0.1706	-0.0338	0.2065	33.7566	127.7296	-2.6437

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 3:12)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 13:29)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 30:67)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 68:76)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 77:86)
6	X-RAY DIFFRACTION	6	chain 'B' and (resseq 3:9)
7	X-RAY DIFFRACTION	7	chain 'B' and (resseq 10:21)
8	X-RAY DIFFRACTION	8	chain 'B' and (resseq 22:37)
9	X-RAY DIFFRACTION	9	chain 'B' and (resseq 38:47)
10	X-RAY DIFFRACTION	10	chain 'B' and (resseq 48:58)
11	X-RAY DIFFRACTION	11	chain 'B' and (resseq 59:74)
12	X-RAY DIFFRACTION	12	chain 'B' and (resseq 75:92)
13	X-RAY DIFFRACTION	13	chain 'C' and (resseq 3:12)
14	X-RAY DIFFRACTION	14	chain 'C' and (resseq 13:29)
15	X-RAY DIFFRACTION	15	chain 'C' and (resseq 30:67)
16	X-RAY DIFFRACTION	16	chain 'C' and (resseq 68:76)
17	X-RAY DIFFRACTION	17	chain 'C' and (resseq 77:86)
18	X-RAY DIFFRACTION	18	chain 'D' and (resseq 3:9)
19	X-RAY DIFFRACTION	19	chain 'D' and (resseq 10:21)
20	X-RAY DIFFRACTION	20	chain 'D' and (resseq 22:37)
21	X-RAY DIFFRACTION	21	chain 'D' and (resseq 38:47)
22	X-RAY DIFFRACTION	22	chain 'D' and (resseq 48:58)
23	X-RAY DIFFRACTION	23	chain 'D' and (resseq 59:74)
24	X-RAY DIFFRACTION	24	chain 'D' and (resseq 75:92)
25	X-RAY DIFFRACTION	25	chain 'E' and (resseq 3:12)
26	X-RAY DIFFRACTION	26	chain 'E' and (resseq 13:29)
27	X-RAY DIFFRACTION	27	chain 'E' and (resseq 30:67)
28	X-RAY DIFFRACTION	28	chain 'E' and (resseq 68:76)
29	X-RAY DIFFRACTION	29	chain 'E' and (resseq 77:86)
30	X-RAY DIFFRACTION	30	chain 'F' and (resseq 3:9)
31	X-RAY DIFFRACTION	31	chain 'F' and (resseq 10:21)
32	X-RAY DIFFRACTION	32	chain 'F' and (resseq 22:37)
33	X-RAY DIFFRACTION	33	chain 'F' and (resseq 38:47)
34	X-RAY DIFFRACTION	34	chain 'F' and (resseq 48:58)
35	X-RAY DIFFRACTION	35	chain 'F' and (resseq 59:74)
36	X-RAY DIFFRACTION	36	chain 'F' and (resseq 75:92)
37	X-RAY DIFFRACTION	37	chain 'G' and (resseq 3:12)
38	X-RAY DIFFRACTION	38	chain 'G' and (resseq 13:29)
39	X-RAY DIFFRACTION	39	chain 'G' and (resseq 30:44)
40	X-RAY DIFFRACTION	40	chain 'G' and (resseq 45:55)
41	X-RAY DIFFRACTION	41	chain 'G' and (resseq 56:66)
42	X-RAY DIFFRACTION	42	chain 'G' and (resseq 67:76)
43	X-RAY DIFFRACTION	43	chain 'G' and (resseq 77:86)
44	X-RAY DIFFRACTION	44	chain 'H' and (resseq 3:9)
45	X-RAY DIFFRACTION	45	chain 'H' and (resseq 10:21)
46	X-RAY DIFFRACTION	46	chain 'H' and (resseq 22:37)
47	X-RAY DIFFRACTION	47	chain 'H' and (resseq 38:47)
48	X-RAY DIFFRACTION	48	chain 'H' and (resseq 48:58)
49	X-RAY DIFFRACTION	49	chain 'H' and (resseq 59:74)
50	X-RAY DIFFRACTION	50	chain 'H' and (resseq 75:92)
51	X-RAY DIFFRACTION	51	chain 'I' and (resseq 3:12)
52	X-RAY DIFFRACTION	52	chain 'I' and (resseq 13:29)
53	X-RAY DIFFRACTION	53	chain 'I' and (resseq 30:44)
54	X-RAY DIFFRACTION	54	chain 'I' and (resseq 45:66)
55	X-RAY DIFFRACTION	55	chain 'I' and (resseq 67:76)
56	X-RAY DIFFRACTION	56	chain 'I' and (resseq 77:86)
57	X-RAY DIFFRACTION	57	chain 'J' and (resseq 3:9)
58	X-RAY DIFFRACTION	58	chain 'J' and (resseq 10:21)
59	X-RAY DIFFRACTION	59	chain 'J' and (resseq 22:37)
60	X-RAY DIFFRACTION	60	chain 'J' and (resseq 38:47)
61	X-RAY DIFFRACTION	61	chain 'J' and (resseq 48:58)
62	X-RAY DIFFRACTION	62	chain 'J' and (resseq 59:92)
63	X-RAY DIFFRACTION	63	chain 'L' and (resseq 2:9)
64	X-RAY DIFFRACTION	64	chain 'L' and (resseq 10:21)
65	X-RAY DIFFRACTION	65	chain 'L' and (resseq 22:37)
66	X-RAY DIFFRACTION	66	chain 'L' and (resseq 38:47)
67	X-RAY DIFFRACTION	67	chain 'L' and (resseq 48:58)
68	X-RAY DIFFRACTION	68	chain 'L' and (resseq 59:74)
69	X-RAY DIFFRACTION	69	chain 'L' and (resseq 75:92)
70	X-RAY DIFFRACTION	70	chain 'K' and (resseq 4:12)
71	X-RAY DIFFRACTION	71	chain 'K' and (resseq 13:29)
72	X-RAY DIFFRACTION	72	chain 'K' and (resseq 30:66)
73	X-RAY DIFFRACTION	73	chain 'K' and (resseq 67:76)
74	X-RAY DIFFRACTION	74	chain 'K' and (resseq 77:86)
75	X-RAY DIFFRACTION	75	chain 'M' and (resseq 4:12)
76	X-RAY DIFFRACTION	76	chain 'M' and (resseq 13:29)
77	X-RAY DIFFRACTION	77	chain 'M' and (resseq 30:44)
78	X-RAY DIFFRACTION	78	chain 'M' and (resseq 45:55)
79	X-RAY DIFFRACTION	79	chain 'M' and (resseq 56:66)
80	X-RAY DIFFRACTION	80	chain 'M' and (resseq 67:76)
81	X-RAY DIFFRACTION	81	chain 'M' and (resseq 77:86)
82	X-RAY DIFFRACTION	82	chain 'N' and (resseq 3:9)
83	X-RAY DIFFRACTION	83	chain 'N' and (resseq 10:21)
84	X-RAY DIFFRACTION	84	chain 'N' and (resseq 22:37)
85	X-RAY DIFFRACTION	85	chain 'N' and (resseq 38:47)
86	X-RAY DIFFRACTION	86	chain 'N' and (resseq 48:58)
87	X-RAY DIFFRACTION	87	chain 'N' and (resseq 59:74)
88	X-RAY DIFFRACTION	88	chain 'N' and (resseq 75:92)
89	X-RAY DIFFRACTION	89	chain 'O' and (resseq 4:12)
90	X-RAY DIFFRACTION	90	chain 'O' and (resseq 13:29)
91	X-RAY DIFFRACTION	91	chain 'O' and (resseq 30:66)
92	X-RAY DIFFRACTION	92	chain 'O' and (resseq 67:76)
93	X-RAY DIFFRACTION	93	chain 'O' and (resseq 77:86)
94	X-RAY DIFFRACTION	94	chain 'P' and (resseq 3:9)
95	X-RAY DIFFRACTION	95	chain 'P' and (resseq 10:21)
96	X-RAY DIFFRACTION	96	chain 'P' and (resseq 22:37)
97	X-RAY DIFFRACTION	97	chain 'P' and (resseq 38:47)
98	X-RAY DIFFRACTION	98	chain 'P' and (resseq 48:58)
99	X-RAY DIFFRACTION	99	chain 'P' and (resseq 59:74)
100	X-RAY DIFFRACTION	100	chain 'P' and (resseq 75:85)
101	X-RAY DIFFRACTION	101	chain 'P' and (resseq 86:92)

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