PDB-5z2l: Crystal structure of BdcA in complex with NADPH

ID or keywords:

Entry

Database: PDB / ID: 5z2l

Title

Crystal structure of BdcA in complex with NADPH

Components

Cyclic-di-GMP-binding biofilm dispersal mediator protein

Keywords

OXIDOREDUCTASE / short-chain dehydrogenase/reductase (SDR) /

NADPH binding / biofilm dispersal

Function / homology

Function and homology information

cyclic-di-GMP binding / single-species biofilm formation /

NADPH binding /

oxidoreductase activity
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.7 Å

Authors

Yang, W.S. / Hou, Y.J. / Li, D.F. / Wang, D.C.

Funding support

China, 2items

Citation

Journal: Biochem. Biophys. Res. Commun. / Year: 2018
Title: A potential substrate binding pocket of BdcA plays a critical role in NADPH recognition and biofilm dispersal
Authors: Yang, W.S. / Hong, Y. / Zhang, Y. / Wang, D.C. / Li, D.F. / Hou, Y.J.

History

Deposition	Jan 3, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 7, 2018	Provider: repository / Type: Initial release
Revision 1.1	Mar 21, 2018	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2	Nov 22, 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5z2l.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb5z2l.ent.gz	960.6 KB	Display	PDB format
PDBx/mmJSON format	5z2l.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/z2/5z2l ftp://data.pdbj.org/pub/pdb/validation_reports/z2/5z2l	HTTPS FTP

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Related structure data

Related structure data	4pcvS S: Starting model for refinement
Similar structure data	3hxz-2 3hy0-1 2x70-2 3hxz-3 6ycg-d 3b3i-d 3gsr-d 6nca-20 6ycf-d 6una-1 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) 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

Related structure data

4pcvS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#188 - Aug 2015 Tetrahydrobiopterin Biosynthesis similarity (3) #216 - Dec 2017 Biodegradable Plastic similarity (3) #77 - May 2006 Glucose Oxidase similarity (2) #90 - Jun 2007 Fatty Acid Synthase similarity (2) #34 - Oct 2002 Dihydrofolate Reductase similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Cyclic-di-GMP-binding biofilm dispersal mediator protein

D: Cyclic-di-GMP-binding biofilm dispersal mediator protein

B: Cyclic-di-GMP-binding biofilm dispersal mediator protein

C: Cyclic-di-GMP-binding biofilm dispersal mediator protein

E: Cyclic-di-GMP-binding biofilm dispersal mediator protein

J: Cyclic-di-GMP-binding biofilm dispersal mediator protein

H: Cyclic-di-GMP-binding biofilm dispersal mediator protein

K: Cyclic-di-GMP-binding biofilm dispersal mediator protein

I: Cyclic-di-GMP-binding biofilm dispersal mediator protein

F: Cyclic-di-GMP-binding biofilm dispersal mediator protein

G: Cyclic-di-GMP-binding biofilm dispersal mediator protein

L: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

1

A: Cyclic-di-GMP-binding biofilm dispersal mediator protein

B: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

defined by author&software
Evidence: gel filtration
53.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Cyclic-di-GMP-binding biofilm dispersal mediator protein

C: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

3

E: Cyclic-di-GMP-binding biofilm dispersal mediator protein

F: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

4

J: Cyclic-di-GMP-binding biofilm dispersal mediator protein

I: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

5

H: Cyclic-di-GMP-binding biofilm dispersal mediator protein

G: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

6

K: Cyclic-di-GMP-binding biofilm dispersal mediator protein

L: Cyclic-di-GMP-binding biofilm dispersal mediator protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	65.833, 72.280, 172.324
Angle α, β, γ (deg.)	99.22, 86.78, 107.70
Int Tables number	1
Space group name H-M	P1

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Protein , 1 types, 12 molecules ADBCEJHKIFGL

#1: Protein	Cyclic-di-GMP-binding biofilm dispersal mediator protein Mass: 25697.281 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: bdcA, yjgI, b4249, JW4207 / Plasmid: pET-22b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P39333

#1: Protein

Cyclic-di-GMP-binding biofilm dispersal mediator protein

Mass: 25697.281 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: bdcA, yjgI, b4249, JW4207 / Plasmid: pET-22b / Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P39333

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Non-polymers , 7 types, 2539 molecules

#2: Chemical	ChemComp-PG0 / 2-(2-METHOXYETHOXY)ETHANOL / PEG 6000 / 2-(2-Methoxyethoxy)ethanol Mass: 120.147 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₅H₁₂O₃ / Comment: inhibitor, precipitant*YM
#3: Chemical	ChemComp-NDP / NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Nicotinamide adenine dinucleotide phosphate Mass: 745.421 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₁H₃₀N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#8: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 2516 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.57 Å³/Da / Density % sol: 50.81 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 9 Details: 0.1M Bis-Tris propane pH 9.0, 30%(w/v) Polyethylene glycol 6,000

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Data collection

Diffraction	Mean temperature: 93 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97845 Å
Detector	Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: May 18, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97845 Å / Relative weight: 1
Reflection	Resolution: 1.7→49.2 Å / Num. obs: 312158 / % possible obs: 95 % / Redundancy: 7.2 % / B_iso Wilson estimate: 20.1 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.067 / Net I/σ(I): 15.8
Reflection shell	Resolution: 1.7→1.73 Å / Redundancy: 7.3 % / R_merge(I) obs: 0.477 / Mean I/σ(I) obs: 3.7 / Num. unique obs: 15390 / CC_1/2: 0.911 / % possible all: 94.1

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Processing

Software

Name	Version	Classification
PHENIX	(1.11.1_2575: ???)	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4pcv

4pcv

Resolution: 1.7→43.725 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 0.01 / Phase error: 18.71

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1789	2008	0.66 %	Random
R_work	0.1511	-	-	-
obs	0.1513	303524	92.34 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 1.7→43.725 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	21098	0	640	2516	24254

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	22604
X-RAY DIFFRACTION	f_angle_d	1.094	30624
X-RAY DIFFRACTION	f_dihedral_angle_d	16.568	13418
X-RAY DIFFRACTION	f_chiral_restr	0.064	3392
X-RAY DIFFRACTION	f_plane_restr	0.006	4002

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 (%)
1.7-1.7425	0.225	137	0.1988	20220	X-RAY DIFFRACTION	87
1.7425-1.7896	0.2473	139	0.1905	20414	X-RAY DIFFRACTION	88
1.7896-1.8423	0.2368	125	0.1832	20635	X-RAY DIFFRACTION	88
1.8423-1.9018	0.225	141	0.1835	20695	X-RAY DIFFRACTION	89
1.9018-1.9697	0.2222	141	0.1903	21155	X-RAY DIFFRACTION	91
1.9697-2.0486	0.1666	146	0.1684	21830	X-RAY DIFFRACTION	93
2.0486-2.1418	0.2175	143	0.1611	21794	X-RAY DIFFRACTION	93
2.1418-2.2547	0.2262	144	0.1658	21456	X-RAY DIFFRACTION	92
2.2547-2.396	0.1817	143	0.1509	22022	X-RAY DIFFRACTION	94
2.396-2.581	0.1812	149	0.1501	22333	X-RAY DIFFRACTION	96
2.581-2.8407	0.1773	155	0.1519	21827	X-RAY DIFFRACTION	94
2.8407-3.2516	0.1838	149	0.1506	22599	X-RAY DIFFRACTION	97
3.2516-4.0962	0.1458	149	0.1306	22146	X-RAY DIFFRACTION	95
4.0962-43.7399	0.1487	147	0.1329	22390	X-RAY DIFFRACTION	96

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	0.2269	0.6745	-0.3813	2.4744	-0.4159	2.5881	0.0019	0.3203	0.3084	-0.5242	-0.0629	0.4733	-0.2449	-0.2457	0.0289	0.5017	0.082	-0.1564	0.4052	0.083	0.3306	-45.2968	-136.8964	-66.2678
2	2.247	0.1339	0.6806	0.8322	0.1872	1.9773	-0.0858	0.3114	0.3202	-0.4325	0.0367	0.1579	-0.3392	-0.1096	0.0473	0.588	0.0732	-0.1246	0.4203	0.0984	0.2619	-42.5516	-138.0942	-70.1301
3	1.5875	0.0073	0.8847	0.0084	-0.0288	2.1505	-0.1162	0.3181	0.4718	-0.5062	-0.0587	0.0287	-0.5591	0.0729	0.2345	0.7266	0.0899	-0.1091	0.4202	0.1491	0.3875	-38.9578	-129.6949	-68.612
4	5.0186	0.4483	-0.0011	3.4076	-0.847	2.9366	-0.0374	0.8108	0.4011	-0.4592	0.0093	-0.3167	-0.5534	0.5465	0.0104	0.4526	-0.0854	0.0124	0.4312	0.0934	0.2314	-19.0536	-135.6097	-61.4211
5	1.5784	0.2052	0.4265	1.4162	-0.2073	1.5414	-0.1133	0.076	0.2256	-0.2297	-0.024	0.0222	-0.3387	0.0121	0.1222	0.3864	0.0329	-0.0747	0.3067	0.0739	0.2564	-34.8787	-137.5259	-54.7751
6	3.1851	-0.7428	-4.235	0.989	1.3197	5.7732	0.0039	0.2892	0.331	-0.1527	-0.0714	0.0927	-0.3231	-0.1912	0.0832	0.272	0.0047	-0.0619	0.2269	0.042	0.2268	-33.6914	-137.754	-49.2866
7	0.2731	-0.0317	0.6517	1.5559	-0.2591	1.5933	0.0705	0.3819	0.1071	-0.4631	-0.1493	-0.0268	-0.1561	0.0601	0.0635	0.3165	0.0322	-0.0434	0.3565	0.0589	0.1732	-34.5883	-150.5189	-62.7137
8	1.7061	0.8098	-1.4677	2.2353	2.589	7.1192	-0.0566	0.1218	-0.0938	-0.0117	0.1026	-0.2594	0.1031	0.3833	-0.0137	0.1781	-0.0207	-0.0392	0.3053	0.0491	0.1822	-29.1439	-156.5554	-56.6074
9	1.2663	0.1671	1.2468	1.195	0.0623	1.3595	0.068	0.172	-0.2179	-0.08	-0.0806	0.3726	0.0895	-0.2919	-0.0726	0.1499	-0.0138	-0.068	0.3582	-0.0498	0.2865	-5.728	-129.317	-37.892
10	1.5717	0.3975	1.089	1.0805	0.895	3.6562	0.1018	-0.0599	-0.1451	0.0497	-0.0431	0.1513	0.2077	-0.2628	-0.0329	0.0843	-0.0365	-0.0239	0.2065	0.0216	0.1735	-21.413	-128.931	-47.705
11	1.0527	1.0861	1.7367	1.6644	1.5096	3.4073	0.0199	0.1705	0.0352	-0.1493	0.0247	0.0307	-0.1845	-0.113	-0.0507	0.1629	0.0181	-0.0365	0.2847	0.0036	0.2014	-19.689	-140.337	-41.523
12	1.8109	-0.4327	-1.2162	1.2331	0.6427	9.0442	0.0327	0.2694	-0.0318	-0.139	-0.0425	0.0616	0.1718	-0.0058	0.0067	0.085	-0.0065	-0.0369	0.2306	0.0169	0.1433	-17.974	-141.957	-49.148
13	0.5977	0.7358	0.7715	2.8359	1.5779	1.1987	0.0597	-0.2237	0.1764	0.0245	-0.2358	0.4113	-0.1156	-0.2942	0.1872	0.1558	0.0433	-0.034	0.3323	-0.0081	0.2294	-24.722	-137.122	-29.216
14	2.5074	-0.6806	-0.3937	1.9502	0.7737	4.0104	-0.1032	0.0444	0.1717	-0.0732	-0.0129	0.145	-0.3426	-0.103	0.121	0.2054	0.0449	-0.0652	0.2706	0.0537	0.1908	-21.389	-146.496	-31.971
15	3.8617	-0.8466	0.1406	1.3626	0.2882	2.1063	0.0642	0.1105	0.2646	-0.05	-0.0344	-0.3087	-0.4235	0.3978	-0.0434	0.3009	-0.1475	-0.0314	0.2742	0.007	0.3685	-10.744	-166.016	-24.452
16	1.9266	0.214	-0.0069	2.7567	0.0583	0.7752	-0.1009	0.0977	0.436	-0.198	0.0804	-0.3754	-0.5271	0.4069	-0.0013	0.4017	-0.1868	-0.0128	0.3444	0.0303	0.4332	-17.134	-172.501	-22.518
17	5.9396	-0.9909	2.2759	4.654	-0.7069	3.6272	-0.2945	-0.0607	1.1112	-0.1284	-0.1027	-0.0697	-0.7616	-0.2578	0.3747	0.4371	0.0059	-0.0758	0.2353	-0.012	0.4043	-27.649	-174.577	-41.645
18	4.1243	-0.8944	0.4404	2.1354	0.0287	1.4829	-0.1393	0.2439	0.0209	-0.1214	0.0582	-0.0478	-0.2051	0.0672	0.0865	0.2684	-0.0809	0.0004	0.2241	0.0423	0.2407	-24.865	-161.505	-31.099
19	2.8155	-2.6494	0.0744	3.6739	1.3996	2.2015	0.1259	0.312	0.3718	-0.2972	-0.0522	-0.3194	-0.3124	0.1811	-0.0849	0.2429	-0.0629	0.001	0.2249	0.0632	0.2136	-29.356	-158.155	-32.14
20	1.7136	0.4735	-0.3548	1.2379	-0.2221	1.8537	0.0712	-0.0148	0.4251	0.053	-0.0288	-0.0135	-0.3833	0.0401	-0.0697	0.1773	-0.0416	-0.0266	0.1483	0.0066	0.2332	-13.458	-158.725	-39.322
21	9.3898	-0.6397	-0.481	8.5046	-0.1746	8.115	-0.158	-0.425	-0.4156	0.5196	0.1497	0.9763	0.468	-1.1789	-0.0353	0.318	-0.0177	0.0025	0.3476	0.016	0.3147	-13.785	-154.604	-57.35
22	1.3695	-0.69	-0.1332	1.903	-0.0767	2.1112	0.0494	-0.0326	0.0372	0.06	-0.0084	-0.164	-0.0425	0.1961	-0.0435	0.0836	-0.0163	-0.0438	0.1848	-0.0007	0.1528	-55.382	-165.366	-50.095
23	7.8666	3.0919	2.9797	3.7043	1.2361	3.7598	0.1967	-0.0206	-0.4096	-0.035	0.0196	-0.2185	0.364	0.2292	-0.2149	0.1952	0.0212	-0.0496	0.1606	0.0152	0.1475	-59.018	-170.966	-42.22
24	1.7943	0.1512	0.6578	2.2534	1.6333	3.347	0.1296	0.0661	-0.1862	0.1068	-0.0172	0.0096	0.2854	0.0181	-0.1179	0.0936	-0.0159	-0.0393	0.1597	0.0197	0.1465	-42.121	-170.389	-40.062
25	1.2097	0.3681	1.9684	0.7208	0.548	4.9399	0.0441	0.2386	0.0834	-0.1072	0.0224	-0.0638	-0.1036	0.1228	-0.0693	0.1199	-0.0069	-0.0081	0.2421	0.0206	0.1773	-39.883	-158.474	-44.64
26	2.2995	-1.1521	-0.868	6.1809	5.2327	6.3119	0.005	0.0379	0.1692	0.1296	0.0569	0.0055	0.0623	-0.0214	-0.0584	0.0606	-0.0083	-0.0203	0.1422	0.0291	0.1304	-34.133	-163.555	-46.922
27	0.4691	0.06	0.1741	0.5592	-0.5408	2.5185	0.1055	0.2981	-0.0503	-0.2234	-0.0926	-0.07	0.1094	0.2788	-0.0119	0.1255	-0.004	-0.0133	0.2914	-0.0117	0.2004	-48.539	-149.572	-38.898
28	1.1304	-0.0021	0.0052	1.7558	-0.0068	0.9264	0.0356	0.2979	0.1573	-0.2573	-0.0304	-0.1258	-0.0776	0.0796	-0.008	0.1202	-0.0283	-0.0032	0.2249	0.028	0.1745	-43.597	-150.447	-48.982
29	5.3817	0.9019	-0.532	0.2805	0.5044	2.9358	-0.0585	-0.2038	-0.4632	-0.4667	-0.1496	-0.0969	0.5607	-0.0835	0.2081	0.4589	0.0675	-0.0111	0.2206	0.0004	0.3141	4.496	-144.6695	-123.8644
30	1.7389	1.0477	-1.0422	2.6792	0.3056	2.0319	-0.0838	-0.0408	-0.1406	-0.4366	-0.0852	-0.1138	0.3913	0.0418	0.1854	0.4444	0.1186	0.0304	0.2115	0.0176	0.2623	9.4263	-144.2715	-124.7534
31	1.7848	0.0383	-0.3718	2.6647	0.76	1.5684	0.2377	0.2633	-0.2168	-1.0521	-0.276	-0.388	0.2712	0.2207	0.0512	0.5746	0.1128	0.0633	0.2677	0.0161	0.2856	13.0616	-141.7382	-132.9235
32	2.915	2.3087	0.1388	4.4266	-0.2285	0.5529	0.0131	0.1415	-0.1212	-0.2845	0.0336	-0.0051	0.1205	-0.0092	-0.0539	0.3941	0.1078	0.0129	0.2442	-0.0077	0.1928	4.8587	-127.51	-127.6683
33	3.5735	3.7876	0.8535	5.7984	1.3443	0.7895	-0.0387	-0.4492	-0.0093	0.0711	-0.1318	0.1282	-0.1105	-0.1454	0.1713	0.4178	0.0859	-0.0097	0.287	0.0365	0.2557	5.2558	-129.5884	-114.7228
34	3.6979	2.0415	-0.3696	2.1062	-0.1098	0.9415	-0.0697	-0.1374	-0.1372	0.103	0.0929	0.2266	0.0775	-0.1811	-0.0132	0.3776	0.0905	0.0411	0.2606	0.0502	0.2631	-2.1344	-126.747	-116.84
35	2.1948	0.2575	0.0447	1.8411	-0.0783	1.033	0.0021	-0.0745	-0.1406	0.1544	0.0325	-0.222	0.0708	0.1643	-0.0383	0.3709	0.0861	-0.0055	0.2866	0.028	0.2397	12.7923	-135.6284	-111.1117
36	8.5281	5.3902	1.5156	6.3324	1.1641	0.2929	0.336	-0.6236	0.1358	0.3759	-0.2769	-0.4451	0.0205	-0.0888	-0.0956	0.4421	0.0869	0.0113	0.3618	0.0305	0.2834	13.9971	-128.8019	-103.7166
37	0.318	-0.6796	-0.1325	1.7153	-0.3254	2.595	0.0222	-0.1268	-0.1129	-0.0367	-0.0908	-0.0895	0.0876	0.3168	0.0643	0.1425	0.0462	0.0459	0.1535	-0.0088	0.2917	1.406	-94.256	-117.138
38	0.931	1.6171	-0.2759	3.7911	-0.4931	1.3597	-0.1392	-0.0417	-0.3595	-0.0785	-0.0092	-0.2461	0.1778	0.1629	0.1355	0.1497	0.0429	0.0588	0.1311	-0.0252	0.2755	-3.258	-94.313	-118.718
39	0.7898	-0.7646	-0.9495	2.3176	1.0706	1.7698	-0.1961	-0.0303	-0.4108	-0.2423	-0.0234	-0.2294	0.4884	0.1755	0.1341	0.2834	0.0442	0.0841	0.1821	-0.0349	0.4753	-5.894	-94.749	-127.615
40	1.3064	-0.3714	-1.0151	2.6578	-0.6854	2.8741	-0.1158	-0.2169	-0.4132	0.1078	-0.0975	-0.4158	0.3106	0.4988	0.202	0.1641	0.054	-0.0044	0.2116	0.0211	0.3324	8.384	-100.211	-125.247
41	2.7618	-0.2739	-2.1929	1.0614	-0.5074	2.2522	-0.2766	0.3781	-0.579	-0.0302	0.0383	0.0412	0.2936	-0.3462	0.2144	0.2031	-0.0309	0.0442	0.1786	-0.0756	0.2902	-10.521	-119.163	-124.706
42	1.077	1.2358	0.4939	5.3246	0.5481	1.5234	-0.0297	-0.0509	-0.5062	0.1585	-0.0887	0.0686	0.3714	0.0256	0.0906	0.1959	0.025	0.0573	0.1127	0.0074	0.2935	-2.963	-116.457	-127.841
43	3.3971	2.5016	-1.2526	2.3127	-0.2662	2.069	-0.0641	-0.3402	-0.3741	0.1521	-0.0098	-0.3461	0.0702	0.2378	0.0636	0.179	0.0583	0.004	0.1917	0.0333	0.2523	11.118	-106.601	-123.133
44	7.2857	-0.1112	0.9725	0.3458	-0.0645	0.9951	-0.035	-0.1039	0.0417	0.0125	-0.0183	0.0495	0.0667	-0.0686	0.0558	0.1682	0.0162	0.0256	0.1124	-0.0059	0.2009	0.321	-111.044	-112.517
45	1.9876	2.1046	-0.2263	3.3832	0.921	1.233	0.0353	-0.0371	-0.2128	0.131	0.0002	-0.2274	0.0851	0.1285	-0.039	0.118	0.0324	-0.004	0.0893	0.0053	0.1603	7.697	-113.483	-114.607
46	1.0945	0.427	0.6175	1.7366	0.4379	2.6162	-0.0186	0.1026	-0.3468	-0.0531	-0.0022	0.0703	0.3478	-0.0974	-0.0256	0.1283	-0.0021	0.0211	0.1293	-0.0508	0.2541	-8.594	-107.551	-112.681
47	2.8668	2.007	1.8128	3.6057	-0.7058	2.9418	0.0428	0.3504	-0.4941	-0.1754	0.0038	0.1819	0.3951	-0.0602	-0.0713	0.1662	-0.0403	0.0085	0.1431	-0.085	0.2249	-18.397	-110.879	-105.428
48	1.9882	0.2057	0.7407	2.4552	2.0002	4.2546	-0.0374	0.107	-0.1595	-0.0277	0.0276	-0.1151	0.0832	0.0675	0.0077	0.0728	0.0076	0.004	0.0736	0.0023	0.1548	1.961	-102.522	-105.713
49	3.3437	-1.1845	0.0009	6.1111	-0.8137	6.7717	-0.1599	0.5701	0.3825	-0.6073	0.0775	0.972	-0.4351	-1.0383	0.0273	0.2508	-0.0071	-0.0743	0.3544	-0.014	0.3659	-15.337	-117.737	-101.077
50	2.8004	-0.4442	-0.7897	2.572	0.9359	3.408	-0.3419	-0.2617	-0.5347	0.7434	0.2916	0.0917	0.5471	-0.1291	0.0415	0.5919	0.0519	0.0425	0.3379	0.1073	0.3353	2.655	-97.953	-85.319
51	1.3525	-0.7085	-0.0083	0.7355	0.5665	0.9163	0.0084	-0.3471	-0.4877	0.3694	0.0272	0.2946	0.0248	-0.2221	-0.0293	0.9133	0.0742	0.1481	0.5433	0.246	0.4621	5.502	-100.308	-75.666
52	0.9077	0.602	-0.3779	0.5011	-0.2643	1.5962	0.2536	-0.2638	-0.0229	0.6793	-0.0072	0.2483	-0.3742	-0.3185	-0.2151	0.9392	0.1739	0.0793	0.5008	0.1329	0.2257	1.253	-115.481	-80.173
53	4.7244	-2.7974	1.326	4.4607	-1.5475	2.2475	0.0771	-0.0734	0.2114	0.346	0.0783	0.1538	-0.1887	-0.2993	-0.1468	0.6223	0.1469	0.0897	0.4293	0.0908	0.2395	3.043	-113.298	-92.797
54	7.9843	-0.7206	-3.3811	0.9716	0.9337	1.8674	0.0834	-0.4755	-0.1355	0.4911	0.0996	-0.0086	-0.3584	0.0778	-0.1925	0.6771	0.1425	0.0064	0.3941	0.0593	0.226	-3.825	-117.083	-91.481
55	0.2684	-0.1079	0.8559	2.1724	-0.897	2.9001	-0.0137	-0.3993	-0.2723	0.405	0.2816	0.6345	0.1198	-0.5877	-0.2361	0.475	0.0702	0.1166	0.434	0.1431	0.401	13.331	-107.191	-95.008
56	4.4782	-0.3842	-0.1263	2.1188	0.5536	1.5505	-0.1192	-0.1213	0.0222	0.3224	0.1329	0.3333	-0.1265	-0.239	-0.0233	0.4552	0.1082	0.0673	0.3252	0.0813	0.2382	5.068	-109.397	-101.381
57	2.5082	-0.5153	-0.4417	1.7425	-0.2099	2.4854	-0.0083	0.1635	0.0391	-0.0581	-0.0191	-0.1426	-0.0336	0.1298	0.0335	0.0601	-0.0344	0.0146	0.1109	-0.0063	0.1289	0.193	-149.337	-89.925
58	7.142	-0.7331	-2.0089	2.7495	0.2404	1.5939	0.0267	0.1096	0.4016	0.0295	-0.0161	-0.2347	-0.2379	0.0968	-0.0092	0.1624	-0.0387	0.0007	0.1219	0.0193	0.1458	-5.101	-149.502	-81.139
59	3.882	-3.394	-0.784	6.3942	1.7837	2.4529	0.209	0.4272	0.116	-0.6373	-0.1265	-0.066	-0.2977	-0.0779	-0.0591	0.1341	-0.0479	0.0037	0.1895	0.0157	0.129	8.351	-142.188	-81.63
60	1.9021	-0.7683	-0.8701	2.8556	1.907	2.2725	0.1659	-0.3164	0.418	0.0574	0.0061	-0.049	-0.1886	0.1115	-0.1435	0.1182	-0.0533	0.0141	0.1413	-0.0434	0.189	-8.707	-126.481	-82.545
61	0.8863	-0.2631	-0.7967	0.5875	-0.215	1.8866	0.0014	0.022	-0.0021	-0.0002	0.0014	0.0226	0.0378	0.0394	-0.0061	0.0655	-0.032	-0.0084	0.097	-0.0067	0.1287	4.349	-133.655	-90.951
62	1.6462	0.4908	0.0653	4.4386	3.6114	4.973	-0.0234	0.1246	-0.1163	-0.117	0.0164	-0.0075	0.0071	-0.0795	0.004	0.0476	-0.0133	-0.0003	0.0974	-0.007	0.1175	7.368	-129.197	-92.518
63	1.0338	0.4192	0.4167	0.7357	0.4226	2.3628	-0.034	-0.0503	0.0401	0.0384	0.0364	-0.0347	-0.056	0.1683	-0.0077	0.0632	0.0011	-0.0051	0.0976	-0.0121	0.1351	-5.522	-137.799	-100.697
64	2.8565	-0.5942	-0.7969	4.2504	0.793	2.6808	-0.0014	-0.7824	-0.2846	0.9555	-0.1291	-0.4152	0.1724	0.5334	0.2029	0.3158	-0.0288	-0.1003	0.3849	0.0487	0.2864	-14.378	-127.503	-108.474
65	3.1795	0.2449	-0.0612	1.5574	0.1877	0.6673	-0.0779	-0.199	-0.1049	0.2206	-0.0013	0.0256	-0.0495	-0.0308	0.0812	0.2631	0.0246	0.0424	0.1753	0.0368	0.1555	-33.5813	-127.8185	32.1445
66	3.8367	-2.4735	3.153	2.0151	-1.6345	3.0327	0.0937	-0.1823	-0.4596	0.1241	0.0043	0.1366	0.1421	0.0633	-0.1145	0.3051	0.0316	0.0659	0.2143	0.045	0.2572	-31.3324	-133.591	35.0663
67	4.3363	-0.8829	-1.5619	1.8106	-1.5358	4.7983	-0.3745	-0.668	-0.4079	0.4536	0.1529	-0.0222	0.1224	0.2566	0.1798	0.3053	0.0399	0.0214	0.2349	0.0794	0.2229	-26.9059	-135.0346	39.6477
68	3.9412	0.3837	-0.1997	1.0055	0.018	1.204	-0.0525	-0.2153	-0.3365	0.2204	-0.0178	0.0016	0.1938	0.0123	0.0659	0.2432	0.0383	0.0392	0.1507	0.0363	0.1608	-19.4129	-135.0092	26.3653
69	6.6894	2.1563	0.8871	1.4485	0.6107	1.171	-0.0165	-0.2677	-0.5953	0.1992	-0.0034	-0.024	0.2138	0.0417	-0.0351	0.2294	0.0397	0.059	0.1106	0.0378	0.2338	-18.3402	-137.04	22.0212
70	7.7394	3.0408	-1.6029	2.4437	-0.9103	0.4679	-0.2175	0.0821	-0.0137	-0.0508	0.1462	0.015	0.0522	0.0152	0.0731	0.1507	0.0108	0.0223	0.1059	-0.0076	0.1066	-21.673	-124.0155	19.7766
71	7.6449	0.4762	4.1583	0.3322	0.6467	3.8896	-0.0267	0.0014	-0.2708	0.0353	-0.0066	0.0274	0.0979	-0.1139	0.0551	0.1326	0.0026	0.0397	0.0824	-0.0079	0.1511	-22.4956	-129.4963	13.9332
72	2.0601	1.5623	-0.2651	3.4575	0.0701	0.1449	0.0262	-0.2496	-0.0095	0.4167	-0.0171	-0.1206	-0.0275	0.1752	-0.0137	0.1892	0.0323	-0.0072	0.1663	-0.002	0.1234	-18.6721	-114.8649	29.3857
73	1.6973	-0.2879	-0.1573	1.3522	-0.0702	1.8651	-0.0256	-0.1046	0.0924	0.1529	0.0049	-0.0322	-0.1035	0.099	-0.0038	0.1324	0.0146	0.0138	0.0864	0.0055	0.1075	-26.2743	-114.7239	21.2454
74	2.1979	-0.5634	-0.6407	3.405	0.4485	0.7707	-0.0015	-0.0617	0.2783	0.1538	0.0883	0.1902	-0.3609	-0.1174	-0.0429	0.4662	0.126	0.0481	0.249	0.032	0.2512	5.344	-138.498	-0.169
75	2.0885	0.6633	0.215	2.9195	-0.392	0.8562	-0.0125	-0.0774	-0.0436	0.0833	0.0498	0.2565	-0.061	-0.0445	-0.0385	0.3912	0.1339	0.0523	0.2318	0.021	0.1842	-5.925	-134.64	11.03
76	7.2353	5.101	3.6526	5.2578	2.5965	2.9473	-0.0172	-0.074	0.0234	0.4399	0.1105	-0.0965	-0.0875	0.1305	-0.1063	0.4289	0.1194	0.0143	0.2467	0.0072	0.1788	-6.913	-125.134	13.951
77	1.057	-0.5114	-0.5271	1.6187	-0.3941	1.0956	-0.0535	-0.1126	-0.0015	0.4979	0.1996	0.4084	-0.2749	-0.2602	-0.1307	0.6177	0.2041	0.1221	0.3817	0.0663	0.2854	-8.659	-127.246	-4.028
78	1.6022	0.3379	1.8724	2.8408	1.4719	2.5992	0.1819	-0.5167	-0.0756	0.6146	-0.0536	0.6312	-0.0396	-0.3562	-0.1074	0.7409	0.2234	0.2125	0.4234	0.1088	0.3425	-21.096	-121.251	-5.743
79	0.1411	0.0175	-0.1058	0.12	0.1322	0.241	-0.0091	-0.1932	0.1288	0.2055	0.032	0.0879	-0.266	-0.0377	0.0666	1.5463	0.2963	-0.0615	0.4669	-0.2529	0.0761	0.158	-101.466	-11.191
80	0.0608	-0.0809	0.1289	0.1214	-0.1921	0.3887	-0.2288	-0.3525	0.1507	0.3489	-0.0679	0.0408	-0.1685	-0.1438	-0.1486	1.6013	0.3704	0.1046	0.7163	-0.1165	0.163	-6.281	-95.065	-13.239
81	0.4329	0.1952	0.1505	0.2365	-0.0067	0.8903	0.1948	-0.2063	-0.0942	0.4921	-0.0624	-0.0837	-0.1076	0.0053	0.0133	1.3011	0.2243	0.1121	0.507	0.0817	0.0643	-15.138	-100.368	-0.103
82	3.5213	0.0455	0.0691	0.3848	0.0343	1.2126	0.329	-0.1155	0.3289	0.336	-0.0748	0.1645	-0.5204	-0.4008	-0.2597	0.8788	0.218	0.1399	0.4544	0.0674	0.2598	-18.381	-109.364	-3.429
83	0.3978	-0.1532	-0.5999	1.4081	0.0415	1.0033	-0.1054	-0.2846	0.0998	0.7924	0.1258	-0.3336	-0.4385	0.1763	-0.1239	0.942	0.1474	-0.0642	0.4505	-0.0231	0.218	-2.008	-108.056	3.949
84	1.5915	-0.2413	0.6237	1.3517	0.0737	0.2676	-0.1518	0.0598	-0.1857	0.5339	0.0473	-0.2793	-0.2018	0.0882	0.0594	0.7503	0.1484	-0.0416	0.4041	0.0244	0.2596	-3.581	-114.151	18.467
85	2.0806	0.2174	-0.2387	1.8452	-0.6674	4.3257	-0.006	-0.096	0.0149	0.1344	0.0101	0.2586	-0.0426	-0.101	0.0114	0.0622	-0.0009	0.0222	0.1171	-0.0137	0.196	-44.5827	-101.9549	14.4155
86	7.4806	1.8421	-3.052	1.8123	-1.0241	2.0648	-0.0678	0.2191	0.3439	-0.1628	0.0862	0.3222	0.0545	-0.2626	-0.0274	0.1149	-0.0023	-0.0233	0.1616	-0.0132	0.223	-48.0849	-96.3634	6.4646
87	1.8002	-0.5262	-1.9899	0.9209	0.968	3.8554	0.0051	0.149	0.0635	-0.0037	-0.0643	0.1401	-0.0501	-0.1815	0.0609	0.0509	0.0081	-0.0278	0.1212	0.0078	0.1654	-33.3092	-97.8612	3.8156
88	5.1293	-0.2554	-1.0298	2.3026	1.3801	7.1812	0.1252	0.4746	0.3024	-0.2195	0.0143	0.1907	-0.377	-0.1386	-0.1135	0.0881	0.006	-0.0246	0.1435	0.0213	0.1758	-29.3157	-98.8928	-4.2715
89	1.8262	-1.0095	-1.5251	1.8725	1.0585	3.1268	-0.0202	-0.0111	-0.0055	0.1253	0.036	0.026	0.1217	-0.0039	-0.0306	0.0386	-0.005	-0.0207	0.0915	0.0069	0.1284	-28.6091	-103.376	10.1992
90	2.1457	0.2315	1.5774	1.0311	0.7607	6.8436	-0.0332	-0.1572	0.0096	0.0802	0.0147	-0.0309	-0.157	-0.1017	0.0393	0.0601	0	-0.0034	0.0761	-0.0024	0.133	-23.1038	-103.7952	11.3348
91	3.6686	0.971	2.8069	3.1371	2.381	5.1674	-0.0129	0.3076	-0.0599	-0.1378	-0.0359	0.2408	0.0025	-0.0667	0.0235	0.0725	-0.0143	0.0188	0.1191	0.0175	0.1315	-36.8453	-112.7961	5.2456
92	1.6974	0.334	0.4363	2.1826	1.923	2.0639	-0.0725	0.1225	-0.0367	0.0976	-0.1102	0.3094	0.0975	-0.1767	0.1798	0.099	-0.0217	0.025	0.0922	0.0146	0.1392	-36.5968	-117.6387	10.7652
93	2.7948	0.0878	0.7054	1.9629	1.5508	5.3406	-0.1331	0.2707	-0.2658	-0.0598	0.0885	0.1314	0.3275	0.0616	0.0402	0.1216	-0.0272	0.0243	0.1239	-0.0063	0.1597	-29.8704	-122.6138	5.9035

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 16 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 17 through 40 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 41 through 81 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 82 through 107 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 108 through 143 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 144 through 167 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 168 through 226 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 227 through 240 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 2 through 81 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 82 through 120 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 121 through 143 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 144 through 167 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 168 through 205 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 206 through 244 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 2 through 40 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 41 through 81 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 82 through 107 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 108 through 143 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 144 through 167 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 168 through 231 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 232 through 242 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 2 through 40 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 41 through 62 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 63 through 120 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 121 through 143 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 144 through 167 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 168 through 205 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 206 through 241 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 2 through 16 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 17 through 40 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 41 through 62 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 63 through 120 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 121 through 143 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 144 through 167 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 168 through 226 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 227 through 240 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 2 through 16 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 17 through 40 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 41 through 62 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 63 through 81 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 82 through 95 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 96 through 107 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 108 through 120 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 121 through 143 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 144 through 167 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 168 through 190 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 191 through 205 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 206 through 231 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 232 through 240 )
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 2 through 28 )
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 29 through 62 )
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 63 through 120 )
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 121 through 143 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 144 through 167 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 168 through 216 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 217 through 240 )
57	X-RAY DIFFRACTION	57	chain 'H' and (resid 2 through 40 )
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 41 through 62 )
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 63 through 81 )
60	X-RAY DIFFRACTION	60	chain 'H' and (resid 82 through 107 )
61	X-RAY DIFFRACTION	61	chain 'H' and (resid 108 through 143 )
62	X-RAY DIFFRACTION	62	chain 'H' and (resid 144 through 167 )
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 168 through 231 )
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 232 through 240 )
65	X-RAY DIFFRACTION	65	chain 'I' and (resid 2 through 28 )
66	X-RAY DIFFRACTION	66	chain 'I' and (resid 29 through 40 )
67	X-RAY DIFFRACTION	67	chain 'I' and (resid 41 through 62 )
68	X-RAY DIFFRACTION	68	chain 'I' and (resid 63 through 95 )
69	X-RAY DIFFRACTION	69	chain 'I' and (resid 96 through 120 )
70	X-RAY DIFFRACTION	70	chain 'I' and (resid 121 through 143 )
71	X-RAY DIFFRACTION	71	chain 'I' and (resid 144 through 167 )
72	X-RAY DIFFRACTION	72	chain 'I' and (resid 168 through 205 )
73	X-RAY DIFFRACTION	73	chain 'I' and (resid 206 through 242 )
74	X-RAY DIFFRACTION	74	chain 'J' and (resid 2 through 62 )
75	X-RAY DIFFRACTION	75	chain 'J' and (resid 63 through 143 )
76	X-RAY DIFFRACTION	76	chain 'J' and (resid 144 through 167 )
77	X-RAY DIFFRACTION	77	chain 'J' and (resid 168 through 226 )
78	X-RAY DIFFRACTION	78	chain 'J' and (resid 227 through 243 )
79	X-RAY DIFFRACTION	79	chain 'K' and (resid 2 through 40 )
80	X-RAY DIFFRACTION	80	chain 'K' and (resid 41 through 81 )
81	X-RAY DIFFRACTION	81	chain 'K' and (resid 82 through 143 )
82	X-RAY DIFFRACTION	82	chain 'K' and (resid 144 through 167 )
83	X-RAY DIFFRACTION	83	chain 'K' and (resid 168 through 226 )
84	X-RAY DIFFRACTION	84	chain 'K' and (resid 227 through 245 )
85	X-RAY DIFFRACTION	85	chain 'L' and (resid 2 through 40 )
86	X-RAY DIFFRACTION	86	chain 'L' and (resid 41 through 62 )
87	X-RAY DIFFRACTION	87	chain 'L' and (resid 63 through 95 )
88	X-RAY DIFFRACTION	88	chain 'L' and (resid 96 through 107 )
89	X-RAY DIFFRACTION	89	chain 'L' and (resid 108 through 143 )
90	X-RAY DIFFRACTION	90	chain 'L' and (resid 144 through 167 )
91	X-RAY DIFFRACTION	91	chain 'L' and (resid 168 through 190 )
92	X-RAY DIFFRACTION	92	chain 'L' and (resid 191 through 226 )
93	X-RAY DIFFRACTION	93	chain 'L' and (resid 227 through 240 )

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