PDB-8ugo: Structure of the complex between Human LIAS and H-protein in the ...

ID or keywords:

Entry

Database: PDB / ID: 8ugo

Title

Structure of the complex between Human LIAS and H-protein in the presence of 5'-deoxyadenosine

Components

Glycine cleavage system H protein, mitochondrial
Lipoyl synthase, mitochondrial

Keywords

BIOSYNTHETIC PROTEIN / Lipoyl synthase / LIAS

Function / homology

Function and homology information

lipoyl synthase / lipoate synthase activity / lipoate biosynthetic process / Glycine degradation / glycine decarboxylation via glycine cleavage system / glycine cleavage complex / Protein lipoylation / neural tube closure / 4 iron, 4 sulfur cluster binding / response to oxidative stress ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.45 Å

Authors

Esakova, O.A. / Warui, D.M. / Neti, S.S. / Alumasa, J.N. / Booker, S.J.

Funding support

United States, 3items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM-122595	United States
National Science Foundation (NSF, United States)	MCB1716686	United States
Howard Hughes Medical Institute (HHMI)	SJB	United States

Citation

Journal: To Be Published
Title: Structural basis for the mechanism of the human lipoyl synthase (LIAS) and its complex with the H-protein
Authors: Esakova, O.A. / Warui, D.M. / Neti, S.S. / Alumasa, J.N. / Booker, S.J.

History

Deposition	Oct 5, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 9, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8ugo.cif.gz	532.2 KB	Display	PDBx/mmCIF format
PDB format	pdb8ugo.ent.gz	438.1 KB	Display	PDB format
PDBx/mmJSON format	8ugo.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/ug/8ugo ftp://data.pdbj.org/pub/pdb/validation_reports/ug/8ugo	HTTPS FTP

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Related structure data

Related structure data	8trwC 8tskC 8v0jC 9c19C C: citing same article (ref.)
Similar structure data	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	#153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (5) #154 - Oct 2012 Citric Acid Cycle similarity (6) #111 - Mar 2009 Hydrogenase similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: Lipoyl synthase, mitochondrial

E: Glycine cleavage system H protein, mitochondrial

B: Lipoyl synthase, mitochondrial

C: Glycine cleavage system H protein, mitochondrial

D: Lipoyl synthase, mitochondrial

F: Glycine cleavage system H protein, mitochondrial

hetero molecules

186 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Lipoyl synthase, mitochondrial

E: Glycine cleavage system H protein, mitochondrial

hetero molecules

defined by author&software
61.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Lipoyl synthase, mitochondrial

C: Glycine cleavage system H protein, mitochondrial

hetero molecules

defined by author&software
62.2 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

D: Lipoyl synthase, mitochondrial

F: Glycine cleavage system H protein, mitochondrial

hetero molecules

defined by author&software
61.6 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	48.681, 169.209, 183.183
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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Protein , 2 types, 6 molecules ABDECF

#1: Protein	Lipoyl synthase, mitochondrial / Lipoate synthase / LS / Lip-syn / Lipoic acid synthase Mass: 41457.461 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LIAS, LAS, HUSSY-01 / Production host: Escherichia (bacteria) / References: UniProt: O43766, lipoyl synthase
#2: Protein	Glycine cleavage system H protein, mitochondrial / Lipoic acid-containing protein Mass: 18902.498 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: GCSH / Production host: Escherichia (bacteria) / References: UniProt: P23434

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Non-polymers , 11 types, 216 molecules

#3: Chemical	ChemComp-5AD / 5'-DEOXYADENOSINE Mass: 251.242 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₀H₁₃N₅O₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-SF4 / IRON/SULFUR CLUSTER Mass: 351.640 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Fe₄S₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-F3S / FE3-S4 CLUSTER Mass: 295.795 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Fe₃S₄
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#8: Chemical	ChemComp-MET / METHIONINE Type: L-peptide linking / Mass: 149.211 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₅H₁₁NO₂S
#9: Chemical	ChemComp-YVI / 6-THIOOCTANOIC ACID / 6-sulfanyloctanoic acid Mass: 176.276 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Formula: C₈H₁₆O₂S / Feature type: SUBJECT OF INVESTIGATION
#10: Chemical	ChemComp-2PE / NONAETHYLENE GLYCOL Mass: 414.488 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₈H₃₈O₁₀ / Comment: precipitant*YM
#11: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#12: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO₄
#13: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 196 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
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: 2.64 Å³/Da / Density % sol: 53.32 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 0.1M Potassium phosphate pH8.0, 0.2 M potassium chloride, 20% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Sep 17, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97856 Å / Relative weight: 1
Reflection	Resolution: 2.45→50 Å / Num. obs: 320427 / % possible obs: 94.5 % / Redundancy: 3.3 % / CC_1/2: 0.976 / Net I/σ(I): 7.78
Reflection shell	Resolution: 2.45→2.53 Å / Num. unique obs: 4299 / CC_1/2: 0.348

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.45→38.06 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.68 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2229	3038	3.95 %
R_work	0.1846	-	-
obs	0.1862	76992	71.41 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.45→38.06 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9948	0	159	196	10303

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	10326
X-RAY DIFFRACTION	f_angle_d	0.584	13972
X-RAY DIFFRACTION	f_dihedral_angle_d	13.995	3879
X-RAY DIFFRACTION	f_chiral_restr	0.041	1559
X-RAY DIFFRACTION	f_plane_restr	0.004	1770

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 (%)
2.45-2.48	0.2506	36	0.2687	936	X-RAY DIFFRACTION	20
2.48-2.53	0.3367	57	0.2805	1191	X-RAY DIFFRACTION	25
2.53-2.57	0.299	59	0.2567	1528	X-RAY DIFFRACTION	32
2.57-2.62	0.3287	60	0.2606	1628	X-RAY DIFFRACTION	35
2.62-2.67	0.3314	87	0.2464	2031	X-RAY DIFFRACTION	43
2.67-2.72	0.2533	94	0.2474	2331	X-RAY DIFFRACTION	49
2.72-2.78	0.2736	90	0.2497	2461	X-RAY DIFFRACTION	53
2.78-2.84	0.2532	113	0.2278	2870	X-RAY DIFFRACTION	60
2.84-2.92	0.2864	137	0.2299	2961	X-RAY DIFFRACTION	64
2.92-2.99	0.2754	130	0.2178	3220	X-RAY DIFFRACTION	69
2.99-3.08	0.2556	134	0.215	3569	X-RAY DIFFRACTION	75
3.08-3.18	0.2711	163	0.2211	3702	X-RAY DIFFRACTION	79
3.18-3.3	0.2427	175	0.2001	4034	X-RAY DIFFRACTION	85
3.3-3.43	0.2337	174	0.1911	4296	X-RAY DIFFRACTION	91
3.43-3.58	0.2425	168	0.1845	4464	X-RAY DIFFRACTION	95
3.58-3.77	0.2076	201	0.1672	4633	X-RAY DIFFRACTION	98
3.77-4.01	0.1964	192	0.1627	4649	X-RAY DIFFRACTION	99
4.01-4.32	0.2017	193	0.1577	4698	X-RAY DIFFRACTION	100
4.32-4.75	0.1994	198	0.1498	4674	X-RAY DIFFRACTION	100
4.75-5.44	0.2059	198	0.1585	4748	X-RAY DIFFRACTION	100
5.44-6.84	0.2146	188	0.1876	4678	X-RAY DIFFRACTION	100
6.84-38.06	0.1824	191	0.1784	4652	X-RAY DIFFRACTION	99

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	2.6707	-2.7158	1.7489	4.8667	-3.2308	4.4158	0.7241	1.4989	2.0631	-1.3974	-0.4091	-0.846	-0.6451	0.6948	-0.1567	1.0585	0.1131	0.3101	0.8162	0.1404	0.7833	18.5952	-26.6343	-55.5002
2	9.6176	-3.4975	0.6786	4.0307	-3.3608	2.0385	-0.2026	0.3613	-0.7121	-1.3491	0.1242	-0.0437	1.2559	0.1774	-0.0263	0.5476	-0.0588	0.1778	0.4107	-0.0968	0.3536	13.6916	-39.5379	-46.9327
3	5.471	-3.9112	-4.5844	6.9021	3.6571	3.8739	-0.5478	0.1222	0.2176	-0.4061	0.372	-0.4897	0.5044	0.1756	0.2773	0.3843	-0.0358	0.1309	0.426	0.0016	0.3629	-6.277	-46.2462	-38.4679
4	5.3907	2.2308	-1.8325	3.7046	-0.7227	3.6463	-0.0573	0.3476	0.2115	-0.3189	0.2538	0.4073	0.3956	-0.5802	-0.2036	0.3037	-0.0343	-0.0841	0.2984	0.0037	0.2779	-6.7243	-37.2616	-39.3668
5	4.4328	-1.7639	2.0027	6.8322	-4.8578	3.5768	-0.4474	-0.0861	-1.2451	-0.0801	0.3904	-1.3683	0.8256	0.3843	-0.0065	0.6839	0.1586	0.0777	0.8832	-0.037	0.8571	-2.1047	-47.7769	-30.1349
6	3.7365	-0.9026	0.5053	3.1515	-0.8304	3.1216	-0.079	0.8131	0.3873	-0.4711	0.5197	0.7401	0.0789	-1.0018	-0.3397	0.2549	-0.0206	-0.0447	0.4734	0.1516	0.3574	-5.8239	-24.1725	-44.5441
7	4.9596	-0.8227	2.2081	5.3963	-5.5186	6.298	0.1056	-0.1739	-0.4336	-0.9812	-0.1747	-0.2397	1.2237	-0.0941	-0.0233	0.3597	0.0116	-0.0022	0.2199	0.0117	0.412	-17.0263	-31.6366	-32.5992
8	2.9936	-0.5991	0.9115	3.7479	-1.2406	3.6949	-0.1281	0.067	0.1249	-0.0746	0.1299	0.0918	-0.0464	-0.0081	-0.136	0.2025	-0.001	-0.0061	0.2769	0.0474	0.3111	-8.9655	-23.5686	-34.0004
9	4.3047	1.9578	-0.1755	2.0583	-4.1348	9.9161	-0.0432	-0.9052	-0.2139	0.7024	0.3888	1.4756	-0.1638	-0.7379	-0.2283	0.2969	0.0624	0.0362	0.4584	0.0595	0.4003	-15.0981	-26.3475	-24.8197
10	4.1287	0.1138	-1.2892	5.3287	-1.7345	3.4109	0.0017	-0.3358	0.398	0.3877	0.1936	0.3391	-0.1999	-0.3229	-0.1601	0.2561	0.0362	-0.0161	0.2703	0.0198	0.2272	-4.9602	-19.2107	-28.1623
11	5.4873	-0.7714	1.573	2.7194	-0.6126	6.5011	0.049	0.4075	0.3227	0.0013	0.1305	-0.2161	-0.7107	-0.1813	-0.1633	0.285	-0.0246	-0.0005	0.2692	0.1424	0.3599	6.2331	-14.3078	-40.1637
12	6.4576	-2.5382	2.9556	5.633	0.1495	4.5196	-0.5434	-0.6797	0.2628	1.1642	0.5309	0.2092	-0.2233	-0.8793	-0.0314	0.4569	0.0342	0.0542	0.3707	0.03	0.3269	1.7681	-17.3875	-23.9113
13	4.4794	-0.117	-2.1596	4.0514	-0.7819	4.555	-0.0371	-0.3969	-0.008	0.0812	0.0347	-0.7547	-0.1755	0.6681	0.0637	0.2545	-0.036	-0.0597	0.2443	0.0883	0.3118	17.0694	-19.6026	-35.6405
14	2.1045	-0.6455	0.5132	4.3412	5.1942	2.3368	-0.0453	-0.0503	0.141	-0.1547	0.1962	-0.1907	-0.3758	0.0776	-0.1102	0.3622	-0.0212	0.0303	0.2995	0.1317	0.2653	9.6737	-24.8526	-34.5343
15	8.0531	1.1079	7.1595	7.09	1.8606	8.8763	-0.1209	1.8096	0.7518	-0.7651	-0.0578	0.1079	0.7291	0.8985	0.1844	0.5564	-0.0589	0.0696	0.4384	0.0573	0.2362	9.2549	-28.0425	-52.5231
16	5.284	1.661	0.3233	3.7014	1.6068	4.1539	0.0005	-0.4538	-0.6315	0.2611	-0.0166	-0.4041	0.1154	0.1629	0.0135	0.2268	0.0152	-0.0142	0.2643	0.0846	0.2983	15.0223	-30.038	-31.0654
17	5.9128	-3.1638	3.6172	7.009	-5.5365	2.1251	0.1741	-0.5882	-0.1772	0.3176	-0.0398	-0.1167	0.0987	-0.1631	0.089	0.2646	0.0139	0.0058	0.3113	0.0062	0.3283	5.0026	-32.0292	-22.0893
18	4.8259	-0.0017	0.4115	2.1685	-3.7603	8.2247	0.0511	0.0028	-0.5603	0.6047	0.2753	0.7263	0.3671	-0.8432	-0.2217	0.3583	-0.0596	0.0789	0.3042	-0.0828	0.4598	-9.8757	-73.4254	-17.4609
19	5.7844	2.4291	-1.473	3.3001	-4.2705	2.0252	-0.0056	1.1377	-0.486	-1.2956	0.1946	0.3869	0.2885	-0.9215	-0.1859	0.4156	-0.0777	-0.0063	0.4246	-0.1379	0.4152	6.2165	-66.2089	-31.1415
20	2.0284	-1.0961	5.2224	2.028	7.0328	6.8263	0.2027	1.4402	0.2186	-0.8348	0.2799	-0.4494	-0.098	0.3924	-0.4033	0.3116	-0.0688	0.0639	0.4449	-0.0518	0.2809	16.7163	-60.5126	-30.1002
21	4.4017	1.4759	-0.8094	3.1195	-0.2406	3.2267	0.1018	0.042	-0.1983	-0.1433	-0.1315	-0.1587	0.0375	0.1402	0.0063	0.1895	-0.0114	0.0248	0.2476	-0.0706	0.2154	13.6855	-62.3759	-21.2553
22	4.0803	-5.8848	6.6772	8.4475	-9.5801	1.999	1.0042	1.7861	-0.2489	-3.2053	-0.698	0.8828	0.2401	-0.6526	-0.3496	0.8881	0.1755	-0.1664	0.7565	0.0354	0.4842	7.2919	-49.9518	-33.1329
23	4.2015	1.4544	-0.4734	2.5274	-0.6521	1.5673	-0.1142	-0.0549	-0.8608	-0.0716	-0.0957	-0.3706	0.3308	0.2056	0.2013	0.2208	0.0407	0.0262	0.1787	-0.0071	0.2916	12.556	-65.1667	-9.7199
24	3.6958	-0.9492	2.2018	7.6266	-3.2335	5.0174	-0.0807	0.1684	-0.5444	0.0151	0.2993	-0.3155	0.2294	-0.2132	-0.1758	0.2312	-0.029	-0.0454	0.2853	-0.0574	0.3472	24.3624	-58.5983	-11.845
25	7.0942	5.1927	1.4422	2.0153	2.8283	8.8489	0.0455	0.8377	-0.4967	-1.1935	0.3987	0.4826	-0.3859	-0.1187	-0.4693	0.25	0.0014	-0.003	0.4573	0.0308	0.2484	17.3655	-49.7522	-24.9342
26	0.6531	0.4795	-0.9297	3.6989	-0.84	2.9363	-0.0326	-0.2153	-0.2378	0.3736	-0.0363	-0.1539	-0.0841	0.0672	0.1374	0.2616	-0.0076	-0.0831	0.2046	-0.0077	0.3321	16.5653	-57.5587	-5.6109
27	8.0492	-4.0814	3.0642	7.9256	-4.4064	6.1201	-0.1975	0.8352	0.7522	0.2786	-0.3173	-1.3726	-0.6066	0.9249	0.4462	0.2527	-0.0504	-0.0195	0.2625	-0.0301	0.3879	20.3206	-46.2829	-12.6896
28	6.6547	0.0752	1.5669	4.9604	1.812	4.6971	-0.1407	-1.0919	0.5904	0.5456	-0.2341	0.014	0.0652	-0.3351	0.3141	0.2677	-0.0009	-0.0494	0.2717	-0.0265	0.1823	13.2164	-52.3801	0.1916
29	4.0634	1.4116	-0.1984	3.5189	-0.4077	1.9414	-0.0679	-0.6444	-0.1042	0.5157	-0.0143	0.0517	-0.0161	-0.0222	0.0849	0.3019	0.0472	0.0325	0.2415	0.0031	0.1175	3.5765	-57.1578	-0.6872
30	5.8931	4.1965	2.8183	7.4236	2.4231	4.7537	0.0345	-0.3484	0.6639	0.7198	-0.2959	0.5824	0.1055	0.0911	0.2861	0.1947	0.0297	0.0432	0.1924	-0.038	0.2348	5.048	-46.6394	-3.6711
31	2.6869	-0.4094	0.5955	3.5097	0.4845	1.8764	-0.2437	-0.4068	-0.0672	0.3864	0.2092	0.4349	-0.2186	-0.3413	0.0392	0.2359	0.0341	0.0361	0.2971	0.0059	0.1708	-6.3195	-57.5529	-6.5861
32	2.0788	-4.5339	5.6053	3.8279	-3.4047	2.3099	0.4027	-0.3331	-1.3895	-0.5557	-0.3856	0.4445	0.2734	0.0747	0.1251	0.3717	-0.0225	0.0937	0.3552	0.0137	0.45	-1.8998	-74.8001	-10.8687
33	4.3724	0.0427	-0.2077	4.8318	1.8761	1.7554	0.0082	0.5413	0.248	-0.2362	-0.0011	0.1781	-0.1392	-0.0945	-0.0228	0.1759	-0.0076	0.0083	0.2021	0.0405	0.1464	-7.6862	-53.7565	-14.9555
34	5.7223	-3.1609	2.6324	2.0867	-2.2624	6.2231	-0.0523	-0.4596	0.2521	-0.6854	-0.114	-0.185	-0.6084	-0.1461	0.2131	0.2137	-0.0306	-0.0224	0.3628	0.0686	0.2703	1.5405	-41.7421	-14.8066
35	1.1352	2.3486	-0.7624	5.7577	-2.1363	0.84	0.0606	0.0247	-0.3801	-1.1279	0.2765	-0.3644	1.1189	0.2801	-0.2792	0.628	0.0216	0.0182	0.6703	-0.4248	1.0835	15.8888	-88.686	-41.0634
36	2.0313	-1.992	2.4246	8.7384	-3.1447	8.9467	0.243	0.7332	0.4923	-0.4445	0.0277	0.0172	-0.2992	0.2508	-0.1418	0.3823	-0.0474	0.0301	0.3621	-0.1695	0.4876	9.0398	-75.326	-39.5991
37	2.9707	2.4261	1.2941	8.249	9.599	2.1983	-0.0715	-0.0248	-0.4775	-0.69	0.7518	-0.0596	-0.9384	0.6345	-0.5959	0.3435	-0.0561	0.0517	0.4707	-0.1715	0.4448	8.8659	-88.3453	-40.8319
38	1.7075	-0.8041	-3.4756	3.4296	1.7084	7.1057	-0.3985	-0.7034	-0.2477	-0.1637	0.5061	-0.0916	-0.2515	1.4808	-0.1283	0.2265	-0.0397	0.054	0.3753	-0.1627	0.5595	9.1366	-76.8034	-28.7997
39	6.3023	5.583	7.0408	2.1034	1.9766	2.1167	0.4305	-1.0007	0.1133	0.3659	-0.5022	0.8633	1.3517	-1.2969	0.116	0.3866	-0.0915	0.0202	0.4564	-0.1146	0.5241	-3.1348	-83.5047	-27.299
40	2.0136	1.5291	1.872	2.0196	-5.4705	8.8436	0.2303	1.0603	-0.564	-0.7443	-0.458	0.7014	0.0282	0.3331	0.3866	0.2753	0.0512	0.0253	0.448	-0.1019	0.4081	-5.9394	-86.7755	-43.6847
41	2.2921	1.5487	1.4138	3.848	4.2397	5.4592	-0.1906	0.0748	-0.2451	-0.3178	-0.5192	0.4454	-0.1098	-0.5229	0.5719	0.2611	0.0203	0.0159	0.258	-0.0404	0.433	-0.9075	-75.29	-30.8664
42	1.327	0.4003	3.4121	0.1215	1.1037	2.0108	-0.4093	-0.2413	0.7858	-0.2026	-0.4804	1.2897	-1.4044	-1.0567	0.7251	0.4562	0.0903	0.0703	0.3166	-0.1073	0.5548	-0.8348	-75.8255	-34.9749
43	2.733	0.5486	1.5975	2.3248	0.4587	8.6473	-0.0783	0.2395	-0.626	-0.1822	0.1811	-0.2531	0.8687	0.1073	-0.2138	0.2932	-0.0215	0.1025	0.3469	-0.1972	0.5832	-0.0139	-89.0288	-40.142
44	8.1783	-9.7702	0.0486	2.0139	-1.1126	2.0177	0.1341	-0.2112	-0.9966	-0.179	0.3163	0.4155	0.8533	-0.8022	-0.4682	0.4715	-0.0274	-0.0283	0.3266	-0.04	0.5659	0.2243	-90.9293	-23.616
45	2.3036	-1.752	-1.0291	1.749	-0.0121	1.9171	-0.2093	-0.3592	-0.1056	0.5613	-0.3878	-0.0284	0.0695	0.2623	0.0444	-0.1913	-1.6047	-1.5199	-2.734	-3.3244	-2.323	7.1672	-84.2248	-23.0439
46	5.6057	7.1741	-4.43	2.0035	-8.3117	2.0119	0.5103	-0.6897	-0.2245	-0.6258	0.1924	-0.7023	1.2618	1.1831	-0.5206	0.4488	0.0531	-0.0755	0.4955	-0.303	0.7122	12.169	-86.4109	-29.3075
47	2.2198	0.9304	0.5435	1.0689	2.9984	2.0043	-0.2118	0.4844	-0.4038	-0.5412	0.0906	-0.1821	0.0415	0.7025	0.0687	0.3654	0.0031	0.038	0.3927	-0.2181	0.4306	3.462	-88.1301	-41.5532
48	4.721	4.1601	3.901	8.7653	0.5979	4.8131	-0.0851	1.0699	-0.1198	-1.1194	-0.12	-0.0373	-0.484	0.9297	0.1967	0.613	0.0143	0.1533	0.6075	-0.074	0.3601	8.6214	-80.3904	-50.6086
49	3.8936	4.9414	1.763	7.3809	4.3976	5.5005	-0.1095	0.0194	-0.3671	-0.8609	0.2208	-0.9123	-0.374	0.7597	-0.0521	0.4171	-0.03	0.087	0.5815	-0.184	0.4055	16.8116	-72.3673	-39.1386
50	4.6527	-3.5746	1.1304	6.9211	-1.7123	7.9975	-0.4248	0.1342	-1.0209	-0.7708	1.4131	0.0867	2.3695	0.5982	-0.9339	1.2906	-0.0029	-0.0807	0.5915	-0.1886	1.0135	-1.406	-112.8402	0.4893
51	5.6053	-5.8426	-0.2507	7.6233	2.4273	2.8997	-0.1003	0.817	0.7725	-0.1813	0.2212	-0.161	0.1837	0.0771	-0.1785	0.6104	-0.1018	-0.0554	0.8084	0.137	0.7368	5.5905	-99.4583	-9.3877
52	4.7878	-0.2616	-0.2466	5.802	-0.9611	2.9426	-0.2527	0.3403	-0.1801	-0.8338	0.0259	-0.2331	0.3509	0.2978	0.2838	0.5665	-0.0111	0.0256	0.7617	0.045	0.6257	27.3715	-92.9456	-10.6765
53	1.9972	2.9258	2.322	7.5596	0.0688	6.8462	0.5941	-0.5857	-0.4266	0.0376	-0.678	-0.9583	0.4987	0.726	0.0826	0.4674	0.0239	0.0253	0.5018	0.1932	0.4806	22.5216	-98.0955	-1.2563
54	2.752	-0.6195	0.6531	2.2469	-0.1725	3.0111	0.2578	0.7411	-0.0765	-0.2638	-0.6373	-0.1259	-0.2869	0.7681	0.4806	0.5048	0.0533	0.0073	0.5043	0.1394	0.5	21.0167	-92.8315	-0.9696
55	2.016	-7.2832	6.7738	7.0516	-2.0464	8.4213	0.6699	-0.1358	-0.5776	-0.156	-0.1605	-0.0834	0.5659	0.3654	-0.6253	0.451	0.0764	0.0395	0.4725	0.1465	0.518	20.5016	-106.7091	9.7567
56	2.2962	-1.1374	1.7308	3.1426	-2.4203	3.9144	-0.1392	0.3586	-0.1095	-0.3765	0.0415	-0.1725	-0.169	0.3863	0.1362	0.5268	-0.1453	0.085	0.7354	0.2674	0.7161	32.4419	-88.8823	1.8673
57	2.9448	-1.9661	2.1944	3.953	-3.4244	6.0706	-0.2854	0.1041	0.4062	0.1088	-0.1379	-0.3618	-0.3734	0.3464	0.4201	0.4037	-0.0537	-0.0575	0.4395	0.1903	0.6704	26.404	-93.5536	12.4774
58	4.1586	0.8893	-0.6649	3.0241	-0.84	3.2325	0.0424	0.0248	0.4473	-0.0719	-0.246	-0.3671	-0.3139	0.6896	0.219	0.3635	-0.0269	-0.0859	0.4091	0.0821	0.5804	26.5011	-84.9433	12.8574
59	2.1305	8.3933	-2.847	6.565	-3.3103	6.1983	-0.3432	0.4842	0.0717	0.1666	0.3857	-0.368	-0.0143	-0.325	0.0479	0.3749	0.053	0.0846	0.3852	0.1117	0.7729	12.3371	-91.2583	13.7022
60	8.5485	0.3941	2.3951	4.8648	-0.4362	5.4015	0.0859	-0.8675	-0.03	0.7324	-0.1097	0.3687	0.3093	-0.6094	0.0349	0.3288	-0.0103	0.063	0.3648	0.0679	0.3516	11.8419	-99.0938	19.3496
61	4.7453	2.0445	2.4348	4.1203	2.8737	7.3017	-0.0541	-0.0804	0.1762	0.2025	0.2042	-1.2132	-0.6676	0.3163	-0.1122	0.4242	0.0068	-0.0446	0.3664	0.0025	0.6941	13.8107	-84.535	16.1413
62	2.3959	0.1283	0.1818	4.1007	0.8114	3.7365	0.0247	-0.0866	0.1527	0.2929	0.0635	0.4709	-0.2772	-0.4818	-0.103	0.3619	0.0927	0.0624	0.4888	0.1871	0.5199	1.8286	-91.0064	13.5144
63	9.6971	-4.6846	0.3318	2.0931	-2.1748	2.134	0.3117	0.6962	-0.6023	-0.4072	-0.493	0.4781	1.2752	0.0456	0.2806	0.6393	0.0504	-0.0627	0.4426	-0.0217	0.4869	7.9934	-108.2007	2.773
64	2.0575	-3.2108	-0.6757	2.0469	-2.0734	5.2447	0.2193	0.611	0.3143	-0.8523	0.3806	0.0299	0.6274	-0.4493	-0.6368	0.45	-0.0007	0.0179	0.7218	0.0586	0.4899	-3.6058	-93.8902	0.8438
65	8.7083	6.0823	0.2951	4.6577	0.7461	5.2727	-0.3447	0.8415	0.5755	-0.2742	0.7925	0.2435	-0.7721	-0.4357	-0.2979	0.4138	0.0392	0.0513	0.6109	0.0962	0.61	0.2206	-82.9658	8.7475
66	6.6794	2.3219	1.1994	2.7039	0.8689	3.4518	-0.4004	0.4853	0.617	-0.4988	0.0296	-0.4739	0.121	0.3285	0.3794	0.4389	0.0224	0.0405	0.467	0.1737	0.4508	9.8367	-86.8278	0.2162
67	2.2164	-1.3164	1.7332	2.8623	-2.2363	5.6291	-0.4252	-0.0823	0.1805	0.0255	0.4729	-0.4099	-0.92	-0.2218	0.1107	0.659	-0.0766	-0.004	0.4761	0.2505	0.8516	11.4252	-78.6829	5.1041
68	7.1885	2.7825	1.0579	7.2479	1.5181	6.998	0.2803	0.0408	-0.9977	0.5684	-0.6004	1.0131	0.9874	-0.7184	0.2392	0.6427	-0.1094	0.1203	0.4118	-0.1672	0.5548	-3.4697	-57.4572	-53.5255
69	2.8031	-1.3999	-1.5005	1.4416	-0.0202	1.5318	-0.1612	0.3656	-0.2282	-0.1665	0.0295	-0.381	0.9812	-0.166	0.2015	0.5389	-0.0797	0.0642	0.3468	-0.0265	0.3598	-1.4083	-55.8302	-57.4322
70	9.8587	9.8248	6.631	2.028	7.6036	7.2229	-0.8426	-0.1993	0.5576	-1.2753	-0.3408	0.7413	-0.3794	-0.6997	0.927	0.57	-0.0934	-0.0498	0.4952	-0.1509	0.3695	-0.1706	-60.0847	-67.077
71	8.2985	5.234	2.2096	3.6358	0.2638	4.6014	-0.1746	0.1881	0.5021	0.3151	-0.0175	0.8638	-0.5622	0.1707	0.0708	0.3316	0.0765	0.0556	0.3831	0.0204	0.3356	-2.5324	-45.6663	-52.4791
72	2.1487	0.2697	-1.338	9.6339	-0.1971	5.7102	-0.3368	-0.5839	0.3692	-0.906	0.3402	-0.3214	0.5221	0.6091	-0.0078	0.4776	-0.0471	0.027	0.6117	-0.1008	0.3609	7.2612	-40.562	-56.4112
73	9.2475	-1.8408	2.1865	9.1896	6.8559	6.5198	-0.5931	0.0801	0.5452	0.3963	-0.4024	-0.5506	-0.9581	1.0751	0.7438	0.6179	-0.1346	0.0939	0.471	-0.128	0.4056	14.4345	-54.2974	-63.5679
74	2.7356	-0.0386	1.5404	9.1915	0.7722	3.1304	0.3055	0.2089	-0.4511	0.4104	0.0731	0.0339	0.3644	0.474	-0.3893	0.3596	0.071	0.0532	0.4337	-0.058	0.4868	10.5597	-55.5585	-54.8393
75	2.6257	0.9058	0.31	7.8799	5.6809	4.0804	-0.1465	0.0629	-0.0151	0.1812	0.8395	-0.3891	1.0529	0.1215	-0.6606	0.4758	-0.0645	0.0594	0.3581	-0.0771	0.3155	6.9213	-41.5623	-48.0055
76	0.5872	-1.7509	-1.4851	5.2329	4.4492	3.8066	0.1675	-0.7866	0.2968	-0.2174	-0.7145	0.7976	0.0313	-0.1296	0.5431	0.6407	-0.0895	-0.0513	0.5577	-0.2015	0.4452	6.6649	-60.5154	-55.62
77	5.758	3.0815	1.5179	8.9915	-5.3532	5.6251	0.1483	0.8908	-0.0138	-1.03	-0.1228	-0.5242	0.1494	-0.2469	-0.0136	0.6037	0.011	0.1484	0.6497	-0.1431	0.5749	9.5508	-57.2023	-67.4424
78	8.7542	4.3192	7.578	2.015	-0.6294	8.2004	0.6985	1.1405	-0.3492	-2.2316	-0.0485	-0.8733	0.143	0.348	-0.6374	0.7377	0.1101	0.0018	0.6577	-0.2156	0.4704	7.1462	-42.3261	-66.7467
79	2.0228	6.1729	2.0127	9.0487	-0.197	8.0735	-0.0875	-0.1842	0.6063	-0.0709	-0.3338	1.2361	-1.3282	-0.5437	0.3397	0.5274	0.0592	-0.0797	0.4511	-0.1314	0.4816	-2.2359	-43.8688	-60.2518
80	2.1273	-0.7229	-0.7403	4.2923	1.2667	0.5747	0.1079	0.0628	-0.2667	-0.5608	-0.2243	0.6728	0.07	-0.1437	0.2031	0.5506	0.0222	0.0249	0.439	-0.0992	0.3315	1.9124	-59.8489	-61.9533
81	0.7921	-0.5028	0.7417	9.4823	-0.8931	6.3719	-0.403	-0.119	-0.3611	0.8459	0.3735	0.9495	-0.114	-0.5678	0.0914	0.5089	-0.0328	0.0345	0.45	-0.0074	0.4846	-7.312	-59.1798	-51.2692
82	3.4765	-2.1576	-3.8885	4.1316	-0.5154	7.401	-0.5813	0.7356	0.3338	-0.4053	0.9139	0.1916	0.1024	-0.5664	-0.2906	0.5599	-0.2428	0.1442	0.5002	-0.0297	0.703	-9.5412	-53.2655	-44.9047
83	3.4052	-1.5831	0.081	4.3785	1.17	2.0361	0.9011	-0.2154	0.0859	-1.2247	-0.4538	0.0543	0.4094	1.3161	-0.5633	1.307	0.4401	-0.0404	1.3225	-0.1995	0.5694	19.2326	-107.8907	-24.0703
84	-0.0028	0.0009	0.002	-0.0041	0.0115	-0.0083	-0.4369	1.2308	-0.5803	-0.7048	-0.15	0.0126	0.0703	-0.4412	0.5128	2.0794	0.3647	-0.0979	1.4715	-0.2357	0.7585	18.3998	-120.3113	-31.5866
85	6.1944	-1.4332	-0.5268	2.5287	-2.9919	4.4763	-0.5511	0.0363	0.2576	-0.6086	-0.9009	-0.1609	0.4018	-0.1721	1.3512	0.729	0.2118	-0.0259	0.8479	-0.1159	0.8535	18.9374	-110.0504	-17.1782
86	1.4643	-0.0401	-2.3767	7.3431	-6.2556	9.2957	0.0328	0.1116	-0.2746	-0.2953	-0.6942	0.2882	-0.504	-0.2754	0.6657	1.1126	0.2794	-0.6264	0.8087	-0.5123	1.5095	15.8971	-108.379	-8.2061
87	0.11	-0.2541	-0.6298	2.8094	2.5297	4.7761	-0.4389	0.0363	0.2535	-1.6456	0.6074	-0.372	0.4963	-1.1535	-0.0919	1.6481	0.0577	-0.4609	1.0395	-0.3477	1.2238	4.7626	-115.4931	-15.8459
88	1.8763	-0.6015	0.0937	0.1858	-0.0244	0.0114	0.5621	0.1554	-0.0991	0.4027	0.4509	-0.6057	-0.7782	0.3771	-0.9251	1.7356	-0.0597	0.1288	1.0124	-0.1664	0.6936	3.7203	-114.8152	-30.995
89	2.6874	1.063	1.4843	2.4894	1.9588	7.4836	0.4593	0.425	0.0624	-0.6801	-1.104	0.3803	0.9375	-0.4649	0.5511	0.9736	0.13	-0.1409	0.8338	-0.0909	0.6422	8.9118	-106.1774	-15.7782
90	5.0328	2.209	0.8189	4.8948	3.0933	8.2596	-0.0572	0.3054	0.1537	0.1132	1.282	0.0193	-0.1465	-0.4672	-1.2247	1.244	0.2904	-0.1972	0.8461	-0.153	0.7965	9.4297	-111.6175	-27.4506
91	0.9322	0.441	-0.2689	1.0413	-0.8846	0.7605	-0.809	1.0571	-0.5366	-1.9208	0.7763	0.5266	0.8663	0.1174	0.039	1.69	-0.0619	-0.0522	1.068	-0.2439	0.8329	9.0849	-123.1814	-16.5781
92	0.0111	-0.0675	-0.0753	0.4804	0.5468	0.6233	-0.2984	0.1673	-0.232	-1.0164	0.3929	0.3022	-0.7231	-0.0177	-0.0152	1.4644	0.3356	-0.1115	1.1446	-0.3078	0.7197	14.7629	-117.2251	-9.9203
93	0.4516	0.5183	-0.2998	1.1184	-0.2399	0.2288	0.5428	0.535	-1.211	-0.3436	-0.2695	0.6676	0.2751	0.5794	-0.2195	1.3628	0.4166	-0.1477	0.7245	-0.0805	1.2065	20.0892	-117.9105	-16.021
94	-0.023	-0.0065	-0.0054	-0.0128	-0.0091	-0.0058	0.4555	0.455	-0.1829	0.8463	0.183	-0.3095	0.9693	-0.8993	-0.4577	1.4914	0.5145	-0.1256	1.2624	-0.1152	0.6715	11.8022	-117.7074	-28.8249
95	1.6598	-0.9482	-0.5148	1.2076	-1.004	2.6949	0.3322	-0.4188	0.1305	0.5655	0.1402	-0.2639	0.0521	0.8269	-0.4223	1.054	0.0863	-0.1084	1.3484	-0.3194	0.9553	18.1958	-108.2955	-36.2691
96	0.8063	0.933	-2.197	5.7388	1.2961	9.2125	-0.5557	-0.6122	-0.6351	-0.4308	-0.44	0.0862	0.031	-0.3612	0.9161	0.7104	0.2457	0.0302	1.3875	-0.2075	1.0481	27.042	-104.6987	-24.16
97	0.2239	-0.5849	0.4819	1.4913	-1.2443	1.0527	0.6909	0.6853	0.0799	-0.7349	-0.2208	-0.1315	-0.0423	0.0549	-0.2369	1.0424	0.1812	0.0642	1.3787	-0.1266	0.6264	27.0031	-97.2829	-20.8545

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 67:72)
2	X-RAY DIFFRACTION	2	(chain A and resid 73:83)
3	X-RAY DIFFRACTION	3	(chain A and resid 84:94)
4	X-RAY DIFFRACTION	4	(chain A and resid 95:118)
5	X-RAY DIFFRACTION	5	(chain A and resid 119:126)
6	X-RAY DIFFRACTION	6	(chain A and resid 127:152)
7	X-RAY DIFFRACTION	7	(chain A and resid 153:170)
8	X-RAY DIFFRACTION	8	(chain A and resid 171:190)
9	X-RAY DIFFRACTION	9	(chain A and resid 191:205)
10	X-RAY DIFFRACTION	10	(chain A and resid 206:238)
11	X-RAY DIFFRACTION	11	(chain A and resid 239:261)
12	X-RAY DIFFRACTION	12	(chain A and resid 262:278)
13	X-RAY DIFFRACTION	13	(chain A and resid 279:297)
14	X-RAY DIFFRACTION	14	(chain A and resid 298:312)
15	X-RAY DIFFRACTION	15	(chain A and resid 313:321)
16	X-RAY DIFFRACTION	16	(chain A and resid 322:355)
17	X-RAY DIFFRACTION	17	(chain A and resid 356:531)
18	X-RAY DIFFRACTION	18	(chain B and resid 66:81)
19	X-RAY DIFFRACTION	19	(chain B and resid 82:87)
20	X-RAY DIFFRACTION	20	(chain B and resid 88:95)
21	X-RAY DIFFRACTION	21	(chain B and resid 96:119)
22	X-RAY DIFFRACTION	22	(chain B and resid 120:125)
23	X-RAY DIFFRACTION	23	(chain B and resid 126:149)
24	X-RAY DIFFRACTION	24	(chain B and resid 150:168)
25	X-RAY DIFFRACTION	25	(chain B and resid 169:173)
26	X-RAY DIFFRACTION	26	(chain B and resid 174:190)
27	X-RAY DIFFRACTION	27	(chain B and resid 191:210)
28	X-RAY DIFFRACTION	28	(chain B and resid 211:227)
29	X-RAY DIFFRACTION	29	(chain B and resid 228:263)
30	X-RAY DIFFRACTION	30	(chain B and resid 264:279)
31	X-RAY DIFFRACTION	31	(chain B and resid 280:313)
32	X-RAY DIFFRACTION	32	(chain B and resid 314:321)
33	X-RAY DIFFRACTION	33	(chain B and resid 322:355)
34	X-RAY DIFFRACTION	34	(chain B and resid 356:531)
35	X-RAY DIFFRACTION	35	(chain C and resid 47:51)
36	X-RAY DIFFRACTION	36	(chain C and resid 52:57)
37	X-RAY DIFFRACTION	37	(chain C and resid 58:68)
38	X-RAY DIFFRACTION	38	(chain C and resid 69:80)
39	X-RAY DIFFRACTION	39	(chain C and resid 81:89)
40	X-RAY DIFFRACTION	40	(chain C and resid 90:95)
41	X-RAY DIFFRACTION	41	(chain C and resid 96:108)
42	X-RAY DIFFRACTION	42	(chain C and resid 109:114)
43	X-RAY DIFFRACTION	43	(chain C and resid 115:124)
44	X-RAY DIFFRACTION	44	(chain C and resid 125:130)
45	X-RAY DIFFRACTION	45	(chain C and resid 131:136)
46	X-RAY DIFFRACTION	46	(chain C and resid 137:141)
47	X-RAY DIFFRACTION	47	(chain C and resid 142:152)
48	X-RAY DIFFRACTION	48	(chain C and resid 153:157)
49	X-RAY DIFFRACTION	49	(chain C and resid 158:171)
50	X-RAY DIFFRACTION	50	(chain D and resid 67:75)
51	X-RAY DIFFRACTION	51	(chain D and resid 76:84)
52	X-RAY DIFFRACTION	52	(chain D and resid 85:100)
53	X-RAY DIFFRACTION	53	(chain D and resid 101:112)
54	X-RAY DIFFRACTION	54	(chain D and resid 113:139)
55	X-RAY DIFFRACTION	55	(chain D and resid 140:151)
56	X-RAY DIFFRACTION	56	(chain D and resid 152:173)
57	X-RAY DIFFRACTION	57	(chain D and resid 174:191)
58	X-RAY DIFFRACTION	58	(chain D and resid 192:230)
59	X-RAY DIFFRACTION	59	(chain D and resid 231:243)
60	X-RAY DIFFRACTION	60	(chain D and resid 244:261)
61	X-RAY DIFFRACTION	61	(chain D and resid 262:280)
62	X-RAY DIFFRACTION	62	(chain D and resid 281:308)
63	X-RAY DIFFRACTION	63	(chain D and resid 309:321)
64	X-RAY DIFFRACTION	64	(chain D and resid 322:330)
65	X-RAY DIFFRACTION	65	(chain D and resid 331:343)
66	X-RAY DIFFRACTION	66	(chain D and resid 344:359)
67	X-RAY DIFFRACTION	67	(chain D and resid 360:531)
68	X-RAY DIFFRACTION	68	(chain E and resid 50:56)
69	X-RAY DIFFRACTION	69	(chain E and resid 57:62)
70	X-RAY DIFFRACTION	70	(chain E and resid 63:69)
71	X-RAY DIFFRACTION	71	(chain E and resid 70:78)
72	X-RAY DIFFRACTION	72	(chain E and resid 79:85)
73	X-RAY DIFFRACTION	73	(chain E and resid 86:92)
74	X-RAY DIFFRACTION	74	(chain E and resid 93:105)
75	X-RAY DIFFRACTION	75	(chain E and resid 106:112)
76	X-RAY DIFFRACTION	76	(chain E and resid 113:118)
77	X-RAY DIFFRACTION	77	(chain E and resid 119:123)
78	X-RAY DIFFRACTION	78	(chain E and resid 124:131)
79	X-RAY DIFFRACTION	79	(chain E and resid 132:139)
80	X-RAY DIFFRACTION	80	(chain E and resid 140:156)
81	X-RAY DIFFRACTION	81	(chain E and resid 157:164)
82	X-RAY DIFFRACTION	82	(chain E and resid 165:170)
83	X-RAY DIFFRACTION	83	(chain F and resid 50:60)
84	X-RAY DIFFRACTION	84	(chain F and resid 61:67)
85	X-RAY DIFFRACTION	85	(chain F and resid 68:76)
86	X-RAY DIFFRACTION	86	(chain F and resid 77:82)
87	X-RAY DIFFRACTION	87	(chain F and resid 83:89)
88	X-RAY DIFFRACTION	88	(chain F and resid 90:95)
89	X-RAY DIFFRACTION	89	(chain F and resid 96:110)
90	X-RAY DIFFRACTION	90	(chain F and resid 111:121)
91	X-RAY DIFFRACTION	91	(chain F and resid 122:129)
92	X-RAY DIFFRACTION	92	(chain F and resid 130:135)
93	X-RAY DIFFRACTION	93	(chain F and resid 136:143)
94	X-RAY DIFFRACTION	94	(chain F and resid 144:150)
95	X-RAY DIFFRACTION	95	(chain F and resid 151:158)
96	X-RAY DIFFRACTION	96	(chain F and resid 159:165)
97	X-RAY DIFFRACTION	97	(chain F and resid 166:172)

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