PDB-4kb3: Crystal structure of the mitochondrial peroxiredoxin from Leishma...

Basic information

• Entry: Database: PDB / ID: 4kb3
• Title: Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the decameric form
• Components: Peroxidoxin
• Keywords: OXIDOREDUCTASE / Thioredoxin-like / mitochondria

Function / homology

Function:

thioredoxin peroxidase activity / cellular response to stress / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases / cell redox homeostasis / hydrogen peroxide catabolic process / response to oxidative stress / cytosol

Domain/homology:

Peroxiredoxin, AhpC-type / : / Peroxiredoxin, C-terminal / C-terminal domain of 1-Cys peroxiredoxin / Alkyl hydroperoxide reductase subunit C/ Thiol specific antioxidant / AhpC/TSA family / Thioredoxin domain profile. / Thioredoxin domain / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / 3-Layer(aba) Sandwich / Alpha Beta

Component:

Peroxidoxin

• Biological species: Leishmania braziliensis (eukaryote)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.93 Å
• Authors: Giuseppe, P.O. / Souza, T.A.C.B. / Morais, M.A.B. / Murakami, M.T.
• Citation: Journal: To be Published; Title: Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the decameric form; Authors: Souza, T.A.C.B. / Morais, M.A.B. / Giuseppe, P.O. / Murakami, M.T.

History

Deposition	Apr 23, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 14, 2014	Provider: repository / Type: Initial release
Revision 1.1	Nov 20, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: Peroxidoxin

B: Peroxidoxin

C: Peroxidoxin

D: Peroxidoxin

E: Peroxidoxin

F: Peroxidoxin

G: Peroxidoxin

H: Peroxidoxin

I: Peroxidoxin

J: Peroxidoxin

Summary:

• 214 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	213,874	10
Polymers	213,874	10
Non-polymers	0	0
Water	0	0

1

Summary:

• Idetical with deposited unit
• defined by author&software

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	18630 Å2
ΔGint	-108 kcal/mol
Surface area	68580 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	90.212, 98.901, 228.138
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P212121

Components

#1: Protein

A B C D E F G H I J
Peroxidoxin

Details:

Mass: 21387.377 Da / Num. of mol.: 10 / Fragment: UNP residues 34-225
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Leishmania braziliensis (eukaryote) / Gene: LBRM_23_0050 / Production host: Escherichia coli (E. coli)
References: UniProt: A4HCL7, Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases

• Has protein modification: Y

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.38 ų/Da / Density % sol: 48.3 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 4.4 ; Details: 0.1 M MMT buffer pH 4.4, 13.9%w/v PEG 1,500, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: LNLS / Beamline: W01B-MX2 / Wavelength: 1.459 Å
• Detector: Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 19, 2012
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.459 Å / Relative weight: 1
• Reflection: Resolution: 2.93→40 Å / % possible obs: 99.2 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3

Reflection shell

Resolution (Å)	Diffraction-ID	% possible all
2.93-3.11	1	95.5
3.11-3.32	1	100
3.32-3.59	1	100
3.59-3.93	1	100
3.93-4.39	1	100
4.39-5.05	1	100
5.05-6.16	1	100
6.16-8.61	1	100
8.61-40	1	98.3

Processing

Software

Name	Version	Classification
MAR345dtb		data collection
MOLREP		phasing
PHENIX	(phenix.refine: 1.8_1069)	refinement
XDS		data reduction
XDS		data scaling

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.93→19.98 Å / SU ML: 0.4 / σ(F): 2 / Phase error: 28.59 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.282	2256	5.07 %
Rwork	0.231	-	-
obs	0.234	44517	99.9 %
all	-	46773	-

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

Refinement step

Cycle: LAST / Resolution: 2.93→19.98 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12942	0	0	0	12942

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	13209
X-RAY DIFFRACTION	f_angle_d	1.122	17880
X-RAY DIFFRACTION	f_dihedral_angle_d	15.153	4868
X-RAY DIFFRACTION	f_chiral_restr	0.058	2007
X-RAY DIFFRACTION	f_plane_restr	0.006	2311

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.93-2.9935	0.3831	144	0.3657	2612	X-RAY DIFFRACTION	100
2.9935-3.0629	0.3827	148	0.3397	2563	X-RAY DIFFRACTION	100
3.0629-3.1392	0.3394	148	0.3209	2605	X-RAY DIFFRACTION	100
3.1392-3.2238	0.3969	137	0.3126	2620	X-RAY DIFFRACTION	100
3.2238-3.3182	0.3201	142	0.2867	2610	X-RAY DIFFRACTION	100
3.3182-3.4248	0.3227	134	0.2694	2616	X-RAY DIFFRACTION	100
3.4248-3.5466	0.2706	140	0.2412	2599	X-RAY DIFFRACTION	100
3.5466-3.6877	0.288	132	0.2412	2641	X-RAY DIFFRACTION	100
3.6877-3.8544	0.2996	134	0.2326	2610	X-RAY DIFFRACTION	100
3.8544-4.056	0.2778	153	0.2019	2635	X-RAY DIFFRACTION	100
4.056-4.3078	0.2364	144	0.1976	2652	X-RAY DIFFRACTION	100
4.3078-4.6365	0.258	146	0.1734	2625	X-RAY DIFFRACTION	100
4.6365-5.0961	0.2477	145	0.1787	2644	X-RAY DIFFRACTION	100
5.0961-5.8175	0.2486	136	0.2047	2695	X-RAY DIFFRACTION	100
5.8175-7.2702	0.2844	139	0.2449	2706	X-RAY DIFFRACTION	100
7.2702-19.9751	0.2488	134	0.2157	2828	X-RAY DIFFRACTION	100

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	4.1442	1.4491	-3.9851	8.7485	-3.9252	7.3261	-0.5631	0.974	-0.6575	-0.9422	0.3324	-0.0974	0.1987	-0.0852	0.3399	0.7227	-0.0368	0.1037	0.7762	0.0039	0.7141	-22.6134	-8.3823	-25.2158
2	9.4429	-3.0515	0.4695	5.9237	0.2605	1.6318	0.3228	0.4739	1.2088	0.5627	-0.2474	-0.7562	-0.7514	0.1629	0.0684	0.7505	-0.07	0.0605	0.4817	-0.0078	0.5297	-37.3811	7.438	-26.5433
3	2.0918	-1.317	3.9212	3.945	2.6268	9.4897	-0.0583	-0.9885	0.4674	-1.0198	-0.3078	-0.3534	0.3651	0.097	0.327	0.9315	-0.3037	0.0816	0.5666	-0.0083	0.5071	-33.7844	-0.1074	-19.3366
4	6.8838	1.3114	2.4635	6.2103	1.1615	4.0647	-0.4707	-0.6361	-0.2406	2.0012	0.7634	0.5878	1.6745	-1.5295	-0.3477	0.9589	-0.1521	0.2606	1.037	-0.2819	0.7816	-52.6977	-7.2081	-22.6951
5	8.7544	0.0405	2.6398	1.1116	-2.1832	4.2443	0.1335	0.1923	-0.3407	0.0719	-0.7359	0.3497	1.1201	0.6052	0.4125	1.1483	-0.1913	0.1929	1.0156	-0.073	0.5581	-45.9966	-2.2941	-12.3483
6	2.0932	-3.7996	3.6844	8.259	5.0626	6.3539	-0.5259	0.5932	0.1965	1.5381	-0.2918	0.2846	-1.4233	0.451	0.7474	1.4739	-0.0903	0.3153	0.654	0.0263	0.7021	-36.4869	5.1566	-8.7655
7	3.6549	-1.9077	1.1004	1.4823	-1.8956	3.2095	-0.1661	-0.1461	-0.0255	0.1106	0.0787	0.1772	-0.0464	-0.7103	0.2718	0.6598	-0.1391	0.147	0.3884	-0.1453	0.5574	-49.4765	1.9456	-22.0233
8	6.0211	2.8403	3.7133	3.2778	-1.2645	5.9359	0.2878	0.0086	-0.0005	0.5598	-0.1089	0.0361	-1.1493	-1.0139	0.0497	1.1266	-0.1551	0.1715	0.6497	-0.1238	0.5147	-45.4973	4.063	-20.8467
9	8.09	0.6634	2.5496	6.841	-2.4408	1.7817	-0.7866	1.5284	-0.7793	-0.8323	0.3721	-0.2756	1.1362	0.2862	0.2823	0.9951	-0.0239	0.2787	0.6365	-0.1315	0.5715	-38.4575	-7.5085	-33.0527
10	2.9804	0.0629	1.5606	1.0311	-0.1589	4.996	0.0829	0.5963	-0.3265	0.158	-0.2844	0.0348	0.7994	0.2298	0.2341	0.7975	-0.0006	0.0989	0.4996	-0.0456	0.443	-34.0806	-8.1324	-22.0344
11	2.2378	5.4608	0.9683	1.984	2.9403	0.8294	-0.8115	-0.2951	0.0056	-0.0079	-0.0591	1.1106	-0.5805	-0.1867	0.626	1.4371	0.0724	0.0487	0.5793	0.0583	0.623	-39.1569	-9.1262	-11.5778
12	2.0746	-3.0711	2.3586	9.3786	0.0755	2.064	-0.4489	-0.2652	0.6657	1.5094	0.4448	-0.4178	-1.6274	2.5732	-0.0657	1.2166	-0.2267	-0.0166	1.2513	-0.092	0.6135	-23.8377	-2.704	-8.7143
13	2.2712	1.9883	0.4558	2.0167	0.577	5.1447	0.3862	-0.7117	-0.246	-0.9948	0.1324	2.2249	0.755	-0.2392	-0.6514	1.1384	0.0475	0.0936	0.4201	0.0118	0.9299	-35.7245	-24.5824	-26.6435
14	6.8606	0.4001	1.8146	2.6467	-1.1753	4.9681	-1.1986	0.1468	-2.1691	0.6298	0.6852	0.5794	0.5669	0.6228	0.3457	1.5985	0.1787	0.2023	0.4419	0.1402	0.7802	-25.0424	-36.9517	-14.5673
15	2.0393	-5.0565	-2.2011	8.6674	-2.8868	2.0165	-0.5374	-1.9453	-0.0062	0.5511	0.1593	1.5929	0.7461	0.3885	0.0637	1.2022	0.0301	0.2665	0.6157	-0.0821	0.7156	-35.5848	-29.1705	-14.2208
16	6.1721	0.5597	1.9872	2.4974	0.1153	0.6503	0.5521	-0.6663	0.9729	0.8008	-0.0953	0.276	-0.4885	0.0673	-0.6674	1.4978	0.1433	0.3338	1.1301	0.1074	0.6542	-16.3077	-20.1077	-10.43
17	9.9559	0.3754	-1.7558	2.3627	0.4321	6.622	0.6116	-0.96	0.0063	0.9855	-0.2362	1.01	0.0311	0.6487	-0.5388	1.4727	-0.0011	0.3052	0.5775	0.1371	0.719	-30.1896	-24.9065	-2.9387
18	3.0786	-0.175	-0.2918	1.3371	0.5043	6.5632	0.257	-0.1983	-0.1124	0.5595	-0.3268	0.0782	1.1119	1.3215	0.0964	1.382	0.0441	0.0573	0.4995	0.0248	0.4735	-18.7517	-28.7069	-7.73
19	1.9977	-6.9611	-1.1069	9.8357	-2.6183	5.0152	1.1446	-0.0191	0.1975	-1.7709	-0.8961	-0.4324	0.7997	0.7884	-0.0702	0.9716	0.2476	0.1284	0.8755	0.0946	0.5415	-19.4063	-26.4288	-25.2883
20	2.017	2.0089	2.6648	1.9325	-2.5264	2.7984	-1.429	0.0484	0.0381	0.148	0.3437	0.2506	0.218	0.0278	1.086	1.0405	-0.0241	0.1861	0.6215	0.0473	0.4531	-21.5097	-19.7041	-24.7191
21	3.0301	-0.5004	0.1173	2.7461	-0.5849	2.1814	-0.6038	-0.0415	-0.2332	0.2254	0.3732	0.4032	0.0731	0.1561	0.2706	0.88	-0.0502	0.0871	0.4503	-0.0385	0.5127	-30.3122	-20.5011	-18.9406
22	3.8743	0.9978	-0.753	2.7717	-0.9097	1.707	-0.1173	0.287	-0.1417	1.003	-0.1058	0.0833	-0.0083	-0.6177	0.3443	1.1851	0.1075	0.1971	0.6801	0.0036	0.5247	-32.3281	-16.1123	-9.1609
23	1.9767	5.0962	-1.1374	7.493	-5.4548	4.9672	-0.7709	1.5455	-0.9184	0.5748	-0.2056	1.6654	0.8613	-0.1778	0.5229	0.7744	-0.1393	0.462	0.5964	-0.1433	1.2294	-47.3221	-23.5401	-12.6015
24	5.1734	0.3821	-0.8241	0.2634	0.7534	2.8699	0.0365	-0.1545	-1.2845	0.222	-0.0468	-1.4425	2.3229	-0.0905	0.0271	1.0616	-0.5557	0.4365	0.8445	0.068	2.3822	-57.1701	-16.4401	-15.5752
25	4.2333	0.6748	0.7805	1.8007	0.2751	0.1311	-0.9101	0.6269	-0.5048	0.0865	0.3895	0.0692	0.3624	1.0988	0.5609	1.96	0.153	0.2371	1.4416	0.2221	0.6929	7.3633	-24.7719	-40.6665
26	4.3852	-0.7088	-0.6884	5.8287	4.3928	1.9892	0.2342	-1.2764	-0.2641	0.1632	0.4917	-1.4425	-0.5249	0.7014	-0.41	1.1133	0.1902	-0.047	0.8547	-0.0048	0.5433	2.2157	-17.2775	-22.2951
27	5.6451	0.609	-1.7113	4.5216	0.3628	5.29	0.0635	0.986	-0.0881	0.3958	-0.1236	-0.7833	0.7158	0.5083	0.1337	1.1704	-0.0794	-0.059	1.2831	0.0594	0.9244	5.4387	-13.6058	-20.8738
28	2.1686	1.5299	0.6053	9.3195	1.4619	2.1386	-0.6758	-0.823	1.8526	0.1679	1.0141	-0.1598	0.2583	0.7932	-0.5758	0.7183	0.0681	-0.0694	0.9326	-0.0105	0.7769	9.658	-23.9749	-25.7877
29	6.7208	0.4679	-0.6012	3.241	3.757	5.8309	-1.4686	-1.5732	-1.5461	2.2658	2.5906	0.9327	-0.2392	0.1566	-0.5744	1.542	0.7043	-0.0279	1.5332	0.0754	0.8045	-3.7432	-33.9737	-14.3368
30	6.5619	3.2946	-0.5465	5.7804	0.1739	1.2321	-0.6082	-1.9493	0.2729	-2.1597	-0.0612	0.5323	0.4963	0.0463	0.5912	0.9903	0.1958	-0.0606	1.381	0.0487	0.567	13.5636	-29.0706	-16.0632
31	2.9741	-1.2901	-0.748	3.0563	-0.5533	2.4403	-0.1759	-0.6045	-0.2253	1.1073	0.025	-0.4431	0.1325	0.3494	0.1682	1.1572	0.1588	-0.1494	1.0568	0.1022	0.5199	1.5784	-25.1646	-13.1155
32	2.038	-5.5834	-4.3379	2.0864	8.5133	8.6588	-0.1787	1.8402	-0.6354	-0.5606	-0.7107	0.0855	-1.1436	-1.0706	0.7267	0.9959	0.3272	-0.0312	0.9811	0.03	0.5461	-6.7473	-22.7935	-28.5211
33	2.0547	1.897	-9.3653	2.1135	-5.3175	9.4122	-0.8744	-0.3311	0.8956	-1.7039	0.3224	0.1384	0.4597	-0.993	0.4281	0.8812	0.1149	-0.0917	0.628	-0.0222	0.5081	-5.4953	-29.1561	-30.6988
34	3.5392	0.8027	-1.0922	1.0358	-0.2077	1.2648	-0.1215	-0.6446	-0.5704	-0.0693	-0.0849	-0.2092	0.3461	0.7853	0.1505	0.9267	0.2755	0.0281	0.7573	0.1269	0.5969	4.8729	-29.5232	-30.0756
35	3.9796	4.7442	-0.5613	4.9452	-0.7008	-0.0208	-1.1707	-0.8413	-0.4342	-0.5245	0.1342	-0.783	0.5735	0.5906	0.9324	1.1594	0.4999	0.048	0.9825	0.1337	0.8624	10.4029	-37.167	-23.1588
36	6.0579	-0.4868	-1.4526	7.1145	-2.1614	2.1354	-0.4652	0.5717	0.9424	0.0478	1.458	0.4099	-0.1013	0.5022	-0.5561	0.8797	0.2841	-0.0166	1.0598	0.0016	0.8496	21.4276	-28.2035	-31.1736
37	7.5894	3.0564	5.3674	1.9824	3.6269	4.1992	-0.4669	-0.2405	0.7518	-0.6198	0.5233	1.8025	-0.5667	0.2349	-0.0555	1.0517	0.0745	0.0704	0.6415	0.0493	1.0053	-5.3382	-39.888	-34.9118
38	6.1701	-1.4474	-1.7159	5.5066	1.0631	4.8392	-0.5633	-2.519	-0.7565	0.627	1.3019	0.3657	1.1282	0.5129	-0.7178	0.8841	0.2005	0.0104	1.2086	-0.0044	0.6478	7.6385	-51.9986	-49.1611
39	2	-5.0291	-3.8096	8.3334	3.751	6.8186	0.0442	-0.0192	-1.6065	-0.5958	-0.1507	1.5275	0.7704	-0.6086	0.5125	1.1449	-0.1407	-0.1033	0.7304	0.0811	1.1221	2.722	-55.3116	-45.9578
40	5.7166	-1.3046	-0.1452	2.1506	-5.3792	2.244	0.3907	0.2917	0.6086	0.439	-0.2082	1.2312	1.0588	0.654	0.2131	1.1963	0.1299	0.0983	0.6106	0.0689	0.6948	6.5721	-48.3402	-37.8985
41	9.8278	0.8232	-4.819	7.7051	2.3642	9.495	-1.4097	0.1779	-0.3833	1.079	0.7765	-1.1506	-1.0305	2.3575	1.0685	0.9202	0.1726	-0.1845	1.3679	-0.0009	0.7545	21.6087	-39.1539	-48.5591
42	1.9187	0.3957	-0.4157	0.3664	-0.371	2.5293	-0.2999	-0.6234	-0.375	-0.0023	0.1321	0.84	0.5388	1.1482	0.2613	1.1739	0.3834	-0.0501	0.9632	0.2735	1.0077	19.0848	-49.8566	-36.4018
43	8.8458	-3.432	6.311	1.9896	-3.721	2.0179	0.4402	0.3574	-0.6969	-0.0616	0.0064	1.0636	0.1117	-0.2563	-0.3968	1.1186	0.3732	0.1221	0.6327	0.1793	1.7802	9.7852	-56.9529	-31.6386
44	2.2346	-1.1609	-0.4972	4.3709	-0.3031	1.0047	-0.0207	0.7313	0.2679	0.4288	0.1519	-0.3981	0.6513	1.308	-0.274	1.0151	0.5234	-0.0105	1.3108	0.1318	0.678	18.3845	-48.6967	-48.7959
45	6.0409	-1.2147	-1.7525	2.0723	1.5103	2.0304	-0.1869	-0.1463	-0.1401	-0.4652	0.0162	0.8836	0.2035	0.1712	0.1683	0.8557	0.3366	-0.0009	0.8437	0.0978	0.6227	3.2562	-39.6407	-50.2791
46	4.6259	4.9804	-4.2122	7.3658	-4.9373	4.7584	-0.3549	-0.0312	-0.0287	0.8233	1.099	0.3647	-0.421	-0.9564	-0.8922	0.7691	0.2329	-0.0043	0.6722	0.1889	0.6099	7.0329	-37.9761	-43.0064
47	2.5609	-1.6474	-0.1762	2.28	1.3541	1.0112	0.0738	-1.0637	-0.2614	1.1258	-0.1013	-0.4862	0.0779	0.0883	0.0063	1.1127	0.2358	-0.1501	1.0794	0.1971	0.6166	8.4258	-42.8173	-30.8208
48	1.6508	-0.4876	0.0454	1.6248	-0.6711	0.3084	0.552	-0.0786	1.8494	0.6836	-0.9537	0.9726	0.3298	0.0294	0.3878	1.0376	-0.2138	0.0715	0.8831	0.1316	1.0941	-1.4101	-47.8963	-15.7714
49	8.9899	-1.2251	5.8228	9.1314	4.5004	7.01	-0.2152	1.1305	0.7081	0.1058	-2.1334	-0.5993	-0.0762	-1.124	1.6336	0.5389	0.1853	-0.1073	1.3836	-0.2364	0.6602	3.7944	-24.5723	-79.2215
50	8.047	0.6486	2.3312	6.834	-3.5084	9.257	-0.3692	-0.5234	0.9303	0.4265	0.6984	-0.7794	-1.5197	1.1415	-0.2171	0.794	-0.0447	-0.0361	0.6616	-0.1207	0.6678	20.9698	-25.7951	-66.3807
51	2.1769	1.7832	-3.7478	8.9755	-1.2838	2.4857	-0.3613	0.3195	0.6456	-0.1124	0.0921	0.4502	-0.2779	1.4991	0.6104	0.6781	-0.05	-0.2359	0.5342	-0.0121	0.6063	17.3335	-29.8925	-76.1293
52	7.2992	2.4323	-2.3837	4.827	-6.9964	2.0248	-1.5454	-0.0599	-1.8981	-0.9341	0.8952	0.7607	3.2375	-0.1608	0.3777	1.3514	0.3626	-0.0096	0.7822	-0.022	0.677	17.6238	-46.9051	-64.7413
53	4.6151	-0.6797	-0.3543	6.0238	-2.9773	8.5541	-0.4444	0.7713	-0.6423	-0.2296	-0.0946	-0.7355	0.9975	0.5092	0.4588	0.5304	0.1628	-0.0137	0.9351	-0.1267	0.7278	25.5241	-37.8647	-78.4385
54	2.4733	-2.7999	0.0373	3.1913	-1.9489	1.9034	-0.168	-0.7828	-0.5257	0.0596	0.0659	0.2972	0.7717	1.3942	0.003	0.7017	0.3173	-0.1224	0.8408	-0.0729	0.6508	23.7487	-39.4545	-64.9217
55	0.7811	2.0207	0.8155	7.8468	-1.8282	6.5068	-0.4924	-0.0474	-0.5801	-0.0384	0.2347	-0.0274	0.0989	0.2909	-0.0245	0.609	0.0388	0.0441	0.8095	0.0241	0.5561	24.4074	-35.4895	-67.5503
56	4.581	3.6552	2.7664	2.1548	0.6842	5.4459	-0.3344	-1.3571	0.9392	0.9196	0.1363	0.8891	0.1171	-0.3601	0.2928	0.5136	0.2595	0.0109	0.9961	-0.0773	0.6588	6.67	-33.3574	-64.0798
57	2.5428	0.6678	-1.8358	3.9484	-0.4293	3.0136	0.312	0.6116	-0.2116	0.2121	0.2931	0.6504	0.0726	-0.0479	-0.4526	0.4638	0.2154	0.0241	0.623	-0.0618	0.63	10.6526	-34.8295	-72.7295
58	2.6237	0.2312	0.4919	6.7684	-0.4085	4.2038	0.0062	-0.221	-0.1659	-0.0948	0.6929	-0.5932	0.5131	0.4287	-0.7918	0.5365	0.1207	-0.0203	0.903	-0.1409	0.4747	11.5848	-36.9754	-79.4494
59	1.5439	-2.7769	1.9803	5.7682	-3.7653	3.1435	-0.4601	0.7043	0.1901	-0.3336	0.2803	-1.3918	0.2995	0.1429	-0.014	0.4398	0.0579	-0.0067	0.8158	-0.1599	0.6448	17.2142	-31.7732	-87.6431
60	9.3134	3.7614	-7.0918	2.0259	-5.8643	1.998	1.3307	-0.8558	0.6821	0.8078	-0.78	-1.1741	-0.8357	1.1538	-0.612	0.8983	-0.3416	0.1606	1.2184	-0.0661	0.8871	16.7461	-23.172	-93.5436
61	8.3464	5.7545	-2.9272	2.0245	1.6036	3.1211	-1.008	-0.38	0.9019	1.9327	1.0869	0.0072	0.8708	0.6438	0.1831	0.9234	0.2022	-0.064	1.1375	0.1696	0.6121	-2.0662	-42.8731	-72.4782
62	2.9581	0.6593	5.9219	2.9464	0.2113	2.1161	0.1669	-0.8951	-0.6973	0.4017	0.6978	0.0763	1.7941	-1.1035	-0.8072	0.5513	0.0564	0.1316	0.5353	0.1114	0.7787	-12.3621	-44.1194	-93.4822
63	8.3992	-2.734	0.7256	4.0312	2.5451	2.9399	-0.2863	-1.1543	-0.3853	0.5765	0.3064	0.9404	0.9612	-0.4244	-0.0985	0.7415	0.0362	-0.0395	0.6293	0.2318	0.716	-5.8921	-47.9432	-86.9635
64	3.6209	1.1472	1.2509	8.4763	-5.471	9.5342	-0.0639	0.824	-0.4477	-0.2506	-0.2481	-2.0884	-0.2694	1.0925	0.3479	0.5025	0.1168	0.0015	0.7314	-0.0519	0.7558	-0.3583	-30.009	-99.6045
65	4.4146	-1.8463	-0.4173	5.1581	-5.7634	7.6649	0.4877	-0.1387	-0.4129	-0.3912	0.0318	0.4714	1.0955	1.1994	-0.2878	0.8078	0.1762	-0.0029	0.7165	0.0148	0.5043	4.9623	-45.252	-97.8629
66	2.0282	1.9659	-1.453	1.9818	3.5901	9.5455	0.3964	0.2625	-0.2401	-0.2441	0.3973	1.842	1.2907	-2.4337	-0.2744	0.7473	-0.0758	-0.0241	0.6602	0.1553	1.1831	1.279	-54.7425	-91.2612
67	5.7146	0.0585	0.0276	3.5078	-0.6083	5.4236	0.2319	1.1302	0.3291	-0.4089	-0.1695	-0.055	-0.4657	-0.1027	0.0758	0.4881	0.0229	0.021	0.6543	0.0694	0.47	-5.3335	-37.0455	-102.5822
68	3.026	-1.0621	0.413	4.2642	-1.274	0.3405	-0.5385	0.2739	-0.7167	1.4219	-0.3447	0.1796	1.0754	-0.3858	0.5785	0.6165	-0.1358	0.112	0.5447	0.0224	0.6587	-5.9992	-42.1361	-96.724
69	5.8647	1.1525	4.27	9.7343	-1.9741	3.7145	-0.0947	0.5553	0.3238	1.2152	0.42	0.9249	-0.3536	-0.6724	-0.1732	0.4314	-0.0342	0.1161	0.7279	-0.058	0.4526	-8.9441	-31.6717	-84.4884
70	1.1532	-0.086	1.6163	3.5814	-0.9376	4.2406	-0.046	0.2037	-0.1983	0.3161	-0.1286	-0.2446	0.2977	1.1463	0.2888	0.4189	0.1651	0.0231	0.7211	-0.0208	0.5552	0.2707	-39.3605	-83.0821
71	0.6308	0.4962	-0.615	2.1486	-1.2013	0.026	0.1704	0.6807	-0.2142	0.2092	-0.6242	-1.1556	0.0246	0.1821	0.5109	0.4653	-0.0116	-0.0367	0.7939	-0.0335	0.7454	9.3075	-41.6147	-88.8271
72	7.6238	-2.5848	3.6481	1.985	-1.3578	6.9166	0.7599	-1.6949	-3.193	1.9788	0.5203	1.8893	0.2019	-1.2047	-1.2862	0.8568	0.058	-0.1302	0.7075	0.3749	1.0033	7.7351	-56.159	-79.2516
73	8.2885	-6.1627	0.9359	7.2554	0.0006	5.5723	0.0715	-0.7489	-0.1833	-0.1198	0.5819	0.047	-0.1946	0.5799	-0.7014	0.7039	-0.1285	0.026	0.7864	-0.2165	0.6048	-24.5003	-6.9541	-88.4637
74	5.0505	-1.6972	-2.5234	7.0706	2.4707	4.8342	-0.4072	-0.0139	1.4697	-0.3317	0.3528	-0.4734	-1.082	0.8761	-0.0322	0.6996	-0.1931	-0.1681	0.5952	-0.0068	0.7567	-8.8179	-10.4979	-100.1752
75	8.606	-2.558	0.6084	1.9916	-4.2291	9.9759	0.5621	-0.5821	1.0696	0.4322	-0.6883	-0.4189	-1.2353	0.7904	0.0173	0.5144	-0.0337	0.0282	0.4635	-0.1882	0.6442	-20.8448	-9.325	-100.5313
76	3.3019	-1.8842	0.1809	1.9522	0.2894	4.8962	0.8093	-0.2678	-0.4142	-0.0785	0.4772	0.1149	1.6207	-0.4498	-1.195	0.6592	-0.0499	-0.031	0.6054	0.0358	0.7342	-18.2097	-29.2168	-104.6621
77	4.4448	-5.4612	-0.2798	2.0543	0.9113	4.8978	0.2494	-0.4909	0.3238	-0.6195	0.0074	-0.1986	-0.2687	-0.0996	-0.4443	0.7786	-0.1013	0.1343	0.5868	-0.0208	0.5739	-21.6282	-13.4253	-111.8303
78	3.7096	-2.1791	0.6677	3.2971	-0.2698	3.1285	-0.3129	-0.189	0.3006	0.3884	0.0186	-0.5515	-0.01	0.432	0.2769	0.3829	-0.1173	0.0761	0.7573	-0.0279	0.4801	-12.8795	-20.6906	-106.5124
79	3.7242	0.2341	1.5769	7.1829	-0.5638	0.6702	-0.0735	0.194	0.6754	0.1632	-0.5978	0.3556	-0.3248	0.6089	0.5093	0.3759	-0.1569	-0.0155	0.6442	0.0595	0.502	-13.069	-18.0125	-107.1255
80	2.3126	-3.3015	-0.8151	4.3097	-1.4669	4.665	-1.2705	-2.7785	1.1207	0.6929	1.5389	-1.2202	-0.353	1.5998	-0.0959	0.6303	-0.103	-0.0731	0.9015	-0.0977	0.454	-17.3452	-19.6538	-89.5633
81	2.0607	-4.2589	-2.3126	2.0488	1.9878	2.0066	0.4497	-0.4901	-0.7686	1.6662	-0.7147	-0.612	-0.3275	0.3933	0.5574	0.5194	-0.106	-0.004	0.7398	0.0963	0.6499	-20.4259	-28.8502	-89.6862
82	0.9801	-0.6291	0.8267	1.0886	-1.6705	3.6553	-0.1595	-0.2436	0.5267	0.3845	0.0033	0.024	-0.6402	-0.0221	0.3134	0.4088	-0.0173	-0.0528	0.393	-0.0705	0.5727	-26.2615	-12.4887	-96.4639
83	0.5552	2.099	-0.8843	7.2424	-2.2662	0.6271	-0.0347	0.4383	0.2324	0.0434	-0.2743	0.6477	-0.1282	-0.0865	0.1381	0.4388	-0.0055	-0.0921	0.7512	0.0322	0.6807	-30.5581	-13.934	-105.9289
84	3.5693	4.379	0.6602	2.0194	-2.667	2.7886	-1.7513	0.8436	1.4795	0.0635	-0.6549	-0.0101	-2.0426	-0.6384	1.182	0.9254	-0.2485	-0.5507	0.4855	0.2958	1.4637	-31.5616	2.309	-102.6909
85	2.0572	-6.1691	-6.8353	9.1401	4.3346	2.1609	0.1436	-0.8922	-1.0889	0.0743	0.0024	0.0061	0.6943	-1.1719	-0.0406	0.5586	-0.1745	0.0441	0.7058	0.1137	0.8179	-35.3262	-25.8984	-87.3318
86	7.2152	-2.8409	-1.4367	2.5742	1.8756	4.0767	0.1803	0.6081	-0.2311	0.3615	-0.5635	0.4214	0.5546	-0.2832	0.5232	0.5684	0.0493	0.0186	0.6968	-0.0131	0.5598	-54.6114	-21.0379	-87.7662
87	4.8606	-2.1272	-0.7232	6.359	-0.8049	3.6982	0.2607	-0.5909	0.8303	-0.8944	-0.205	-0.1327	-1.0883	0.0451	0.0255	0.5927	-0.0007	0.0283	0.4519	-0.0848	0.5465	-46.6112	-10.3953	-93.2809
88	6.1188	-5.5136	-3.2734	2.0199	0.0385	9.2885	-0.3283	0.6999	1.0396	-0.543	0.1084	-0.8253	-1.2157	-0.7747	0.2416	0.5225	0.027	-0.0161	0.5621	-0.003	0.5959	-49.0626	-9.1316	-101.1291
89	5.4707	-2.9479	2.7389	8.6731	1.257	2.3101	-0.119	0.2839	0.133	-0.3094	-0.3623	0.9194	-0.3818	-0.7037	0.3185	0.5926	0.1146	-0.171	0.7267	-0.0462	0.7092	-50.5696	-20.7548	-105.5277
90	4.2246	-2.3086	0.0152	3.4596	0.6834	3.67	-0.106	-0.1042	0.531	-0.1285	-0.3747	0.1604	-0.6049	-0.1225	0.4771	0.6045	0.1607	-0.055	0.4965	-0.0571	0.6096	-54.4499	-8.4145	-92.7639
91	5.3333	3.8253	0.243	9.216	4.131	1.9893	-1.1457	-0.3298	0.7154	-0.5922	0.2392	-0.3613	-1.049	-0.8209	0.8198	0.4946	0.0509	0.0073	0.5819	-0.1089	0.4954	-53.9133	-13.3624	-93.3539
92	5.1872	1.022	-0.9776	2.2931	-0.2625	4.6854	0.0761	-1.0339	0.3042	0.9086	0.0259	-1.2067	-0.343	-0.2336	-0.062	0.4986	-0.0835	-0.0676	0.5332	-0.0517	0.5238	-40.5283	-11.9811	-81.2963
93	2.2662	0.4199	1.3377	6.6069	1.1359	4.8534	-0.3348	0.1277	0.2466	0.178	0.6633	-0.4009	-0.2974	0.2076	-0.3138	0.392	0.0009	0.0328	0.424	-0.0314	0.4098	-38.0764	-17.5183	-93.017
94	2.127	4.5105	1.6914	9.3846	3.6671	1.6401	0.0338	-0.0962	-0.3738	-0.1628	0.1946	-0.6588	-0.6869	-0.3544	-0.1393	0.6899	-0.0053	-0.1186	0.4541	0.0902	0.5554	-39.3365	-10.7129	-102.4927
95	6.3619	-3.4852	-1.0615	8.5124	1.3564	3.274	-0.1677	1.3586	-0.3785	-0.3401	-0.0266	-0.3786	0.2755	-0.5559	-0.0201	0.4743	-0.1376	0.0344	0.6464	0.0113	0.5091	-38.4399	-25.6054	-104.9866
96	2.0378	-2.6758	-6.7414	2.1548	3.4914	2.0767	1.3147	0.8067	0.9002	0.621	0.9027	-1.9372	-0.3804	1.3395	-1.9026	0.9406	-0.127	0.1889	1.3389	-0.2634	1.1945	-30.4991	-34.7839	-108.8316
97	2.026	5.6096	-1.316	2.0367	1.4607	5.5616	-0.1488	0.4803	0.0335	-0.174	1.0367	-1.7209	0.7315	-0.2356	-1.1961	0.6734	0.0411	0.0707	0.7238	-0.1661	0.9579	-44.2066	3.5553	-53.9202
98	1.5954	1.2193	0.8382	1.6928	-2.003	8.575	-0.6817	-0.1644	0.5296	-0.0735	0.0465	-0.5739	-0.6927	-0.3131	0.5531	0.8702	0.1313	-0.0768	0.4288	-0.1851	0.7251	-46.5723	9.7416	-75.8963
99	7.4366	-1.8699	2.9803	3.5574	-2.8896	8.4607	0.8632	-1.0853	0.9601	0.3306	0.9681	-0.5113	1.1143	1.7546	-1.2508	1.2369	-0.4646	0.3144	0.8561	-0.5957	0.9783	-43.0022	12.6917	-74.186
100	3.1438	-1.9648	-2.1271	5.7229	-0.4277	4.3078	0.4189	-0.0092	0.5949	0.0396	-0.6122	-1.2892	-1.1067	0.9141	-0.214	0.7917	-0.674	-0.091	-4.5082	-3.1062	-0.3794	-49.6278	12.0207	-66.0702
101	2.5492	2.4655	0.941	3.4586	1.0354	3.9914	0.4086	0.8015	0.1451	0.0109	-1.334	1.8694	-0.7618	-2.6312	1.0132	0.8847	0.2864	-0.0039	1.1022	-0.348	0.7694	-60.5494	-2.7261	-78.626
102	4.0135	1.0781	0.4507	1.0712	1.8845	4.0172	-0.1749	1.3853	0.6236	-0.7832	-0.5737	0.0175	-0.4253	-0.5729	0.7248	0.7568	0.4699	-0.1838	1.6362	-0.2927	1.2159	-63.7611	7.5374	-72.866
103	3.0658	-0.1009	-0.959	1.4199	0.7751	4.0501	-0.3875	-0.0093	0.7305	-0.2212	-0.3206	0.6548	-1.1792	-0.9519	0.4709	0.7658	0.3042	-0.1765	0.6254	-0.2757	0.7803	-56.9195	8.923	-76.8412
104	4.0229	5.6464	-0.2159	7.7041	-1.5454	6.4476	-0.1131	-0.6928	-0.2091	-0.1691	-0.5447	-0.8043	0.535	1.0583	0.3418	0.4871	0.1097	-0.011	0.7235	-0.118	0.5836	-45.1901	-4.2677	-69.2668
105	2.1018	-0.608	-0.7804	5.0729	0.7049	1.3347	-0.1248	-0.0305	-0.517	0.8616	-0.1989	0.61	0.2328	-0.3076	0.0771	0.6659	0.0667	0.0293	0.5605	-0.3097	0.6084	-51.9312	1.2384	-65.5227
106	1.2671	-0.3503	-0.9885	1.2618	-0.4493	1.9194	-0.2828	-0.2175	0.0614	0.1136	0.0829	0.2893	-0.4697	-0.6058	0.2137	0.7039	0.0835	-0.0257	0.9553	-0.2461	0.5527	-56.7785	2.9099	-61.4017
107	6.8767	3.134	2.1675	7.321	-0.6631	8.4856	2.1461	1.3896	0.1548	1.491	-1.3173	1.4928	-1.4768	-0.5855	-0.6448	1.002	0.2331	0.1631	1.0794	-0.3817	0.7845	-59.2753	12.4046	-56.3976
108	8.6018	4.1855	2.7624	7.9467	-2.7415	3.7203	0.0858	-1.4998	1.1033	1.072	0.2256	-0.1008	-0.9435	0.3934	-0.0726	1.1773	-0.4935	-0.2795	1.0756	-0.9884	1.2092	-54.0359	19.1235	-49.0241
109	4.2258	-0.357	2.6246	5.8809	-5.8395	7.0599	0.453	1.3762	-1.4103	0.0569	0.0406	-1.9843	1.4192	1.0675	-0.0224	0.9284	0.1019	0.1574	0.5451	0.0889	1.0958	-53.8067	-13.1385	-60.8667
110	0.7157	1.1688	-1.4533	1.0659	-0.69	5.7979	-0.5614	-0.1573	-0.5531	-0.3271	-0.5409	1.1503	1.3631	0.679	0.2034	0.9773	-0.3599	0.2155	0.8348	-0.4218	0.9628	-60.9551	-14.645	-39.0714
111	1.4042	0.6991	-1.2683	0.3625	-0.6268	1.165	0.0073	-1.2231	0.2879	-1.2667	-0.746	-0.359	0.5735	-0.0066	0.0745	1.731	-0.2837	-0.5056	0.7189	-0.622	2.1303	-65.7753	-18.813	-48.0101
112	2.3461	1.4604	0.3775	4.5165	1.2777	4.9332	-0.0454	-0.8141	0.7541	0.012	-1.2983	1.1411	-0.4222	-2.5073	1.125	0.6563	-0.0522	-0.0439	0.9436	-0.2759	0.6236	-58.9626	-0.4373	-41.7954
113	2.4904	0.929	1.7762	5.5115	1.092	5.8534	-0.3315	0.4982	0.4661	0.2993	0.9489	1.4125	1.2711	-1.6026	0.018	0.6455	-0.0499	0.1802	1.847	-0.7847	1.0834	-71.1958	-1.7435	-45.6843
114	2.2358	-2.1738	-0.9723	2.0633	-0.1268	4.3843	0.8002	-0.5978	0.3727	0.4508	-0.3813	-0.0538	0.2011	-0.691	-0.3815	0.7198	-0.0308	0.3419	0.9505	-0.2853	0.7107	-62.3024	-4.1283	-35.5831
115	1.069	0.9123	2.3857	4.8061	3.6256	5.8863	-1.824	0.2376	-0.0431	-0.6902	-0.7923	1.6588	-1.0382	-3.2945	0.9759	-0.5859	-1.043	1.19	1.1902	-0.0705	0.3162	-64.747	-3.0243	-36.3296
116	7.5246	1.378	-0.7321	7.1306	-2.866	2.0614	-0.7557	0.7475	-0.8051	0.0302	-0.469	-0.1994	1.6377	0.1077	1.0193	0.6288	-0.005	0.1223	0.4873	-0.1241	0.4976	-48.8241	-9.0421	-44.7079
117	2.0026	5.4477	7.8184	2.034	-7.3883	2.032	-0.9664	1.1211	-1.1883	-1.449	-1.1981	-1.9234	1.896	0.6471	1.7392	0.9278	-0.0428	0.3408	0.6654	0.069	0.7411	-44.096	-0.7114	-42.6259
118	2.4236	0.4337	0.642	-0.1258	-0.1828	2.1153	0.0003	-0.0833	-0.5733	0.0007	-0.1752	0.5032	-0.0358	-0.6347	0.1733	0.6018	-0.0014	0.0741	0.7042	-0.2595	0.657	-58.1908	-5.7011	-53.8364
119	0.8552	-0.4783	2.0753	2.5765	-0.7157	6.3005	-0.4834	0.7669	-0.6032	-0.8481	0.5203	0.5258	-1.6089	-0.3124	-0.056	0.6655	-0.0438	0.0323	1.1886	-0.4268	0.8477	-66.6169	-0.6113	-55.7273
120	2.081	-1.4065	-1.9886	5.5049	2.3042	2.0751	1.1482	-0.1468	-1.1922	-0.5103	0.2199	0.9367	1.5737	-0.8041	-0.9304	1.0648	-0.2382	-0.2632	2.3762	-0.7922	1.0611	-72.5085	-12.1659	-66.0127

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 36:41)
2	X-RAY DIFFRACTION	2	(chain A and resid 42:64)
3	X-RAY DIFFRACTION	3	(chain A and resid 65:72)
4	X-RAY DIFFRACTION	4	(chain A and resid 73:81)
5	X-RAY DIFFRACTION	5	(chain A and resid 82:91)
6	X-RAY DIFFRACTION	6	(chain A and resid 92:98)
7	X-RAY DIFFRACTION	7	(chain A and resid 99:126)
8	X-RAY DIFFRACTION	8	(chain A and resid 127:136)
9	X-RAY DIFFRACTION	9	(chain A and resid 137:150)
10	X-RAY DIFFRACTION	10	(chain A and resid 151:176)
11	X-RAY DIFFRACTION	11	(chain A and resid 177:186)
12	X-RAY DIFFRACTION	12	(chain A and resid 187:198)
13	X-RAY DIFFRACTION	13	(chain B and resid 36:44)
14	X-RAY DIFFRACTION	14	(chain B and resid 45:64)
15	X-RAY DIFFRACTION	15	(chain B and resid 65:70)
16	X-RAY DIFFRACTION	16	(chain B and resid 71:81)
17	X-RAY DIFFRACTION	17	(chain B and resid 82:98)
18	X-RAY DIFFRACTION	18	(chain B and resid 99:136)
19	X-RAY DIFFRACTION	19	(chain B and resid 137:144)
20	X-RAY DIFFRACTION	20	(chain B and resid 145:150)
21	X-RAY DIFFRACTION	21	(chain B and resid 151:175)
22	X-RAY DIFFRACTION	22	(chain B and resid 176:189)
23	X-RAY DIFFRACTION	23	(chain B and resid 190:197)
24	X-RAY DIFFRACTION	24	(chain B and resid 198:204)
25	X-RAY DIFFRACTION	25	(chain C and resid 36:41)
26	X-RAY DIFFRACTION	26	(chain C and resid 42:52)
27	X-RAY DIFFRACTION	27	(chain C and resid 53:64)
28	X-RAY DIFFRACTION	28	(chain C and resid 65:72)
29	X-RAY DIFFRACTION	29	(chain C and resid 73:81)
30	X-RAY DIFFRACTION	30	(chain C and resid 82:98)
31	X-RAY DIFFRACTION	31	(chain C and resid 99:136)
32	X-RAY DIFFRACTION	32	(chain C and resid 137:144)
33	X-RAY DIFFRACTION	33	(chain C and resid 145:150)
34	X-RAY DIFFRACTION	34	(chain C and resid 151:176)
35	X-RAY DIFFRACTION	35	(chain C and resid 177:185)
36	X-RAY DIFFRACTION	36	(chain C and resid 186:197)
37	X-RAY DIFFRACTION	37	(chain D and resid 36:41)
38	X-RAY DIFFRACTION	38	(chain D and resid 42:55)
39	X-RAY DIFFRACTION	39	(chain D and resid 56:64)
40	X-RAY DIFFRACTION	40	(chain D and resid 65:72)
41	X-RAY DIFFRACTION	41	(chain D and resid 73:81)
42	X-RAY DIFFRACTION	42	(chain D and resid 82:95)
43	X-RAY DIFFRACTION	43	(chain D and resid 96:100)
44	X-RAY DIFFRACTION	44	(chain D and resid 101:136)
45	X-RAY DIFFRACTION	45	(chain D and resid 137:145)
46	X-RAY DIFFRACTION	46	(chain D and resid 146:164)
47	X-RAY DIFFRACTION	47	(chain D and resid 165:195)
48	X-RAY DIFFRACTION	48	(chain D and resid 196:204)
49	X-RAY DIFFRACTION	49	(chain E and resid 36:41)
50	X-RAY DIFFRACTION	50	(chain E and resid 42:64)
51	X-RAY DIFFRACTION	51	(chain E and resid 65:72)
52	X-RAY DIFFRACTION	52	(chain E and resid 73:81)
53	X-RAY DIFFRACTION	53	(chain E and resid 82:98)
54	X-RAY DIFFRACTION	54	(chain E and resid 99:126)
55	X-RAY DIFFRACTION	55	(chain E and resid 127:136)
56	X-RAY DIFFRACTION	56	(chain E and resid 137:150)
57	X-RAY DIFFRACTION	57	(chain E and resid 151:164)
58	X-RAY DIFFRACTION	58	(chain E and resid 165:184)
59	X-RAY DIFFRACTION	59	(chain E and resid 185:193)
60	X-RAY DIFFRACTION	60	(chain E and resid 194:198)
61	X-RAY DIFFRACTION	61	(chain F and resid 36:41)
62	X-RAY DIFFRACTION	62	(chain F and resid 42:58)
63	X-RAY DIFFRACTION	63	(chain F and resid 59:72)
64	X-RAY DIFFRACTION	64	(chain F and resid 73:81)
65	X-RAY DIFFRACTION	65	(chain F and resid 82:95)
66	X-RAY DIFFRACTION	66	(chain F and resid 96:101)
67	X-RAY DIFFRACTION	67	(chain F and resid 102:128)
68	X-RAY DIFFRACTION	68	(chain F and resid 129:136)
69	X-RAY DIFFRACTION	69	(chain F and resid 137:150)
70	X-RAY DIFFRACTION	70	(chain F and resid 151:175)
71	X-RAY DIFFRACTION	71	(chain F and resid 176:189)
72	X-RAY DIFFRACTION	72	(chain F and resid 190:198)
73	X-RAY DIFFRACTION	73	(chain G and resid 36:44)
74	X-RAY DIFFRACTION	74	(chain G and resid 45:64)
75	X-RAY DIFFRACTION	75	(chain G and resid 65:72)
76	X-RAY DIFFRACTION	76	(chain G and resid 73:81)
77	X-RAY DIFFRACTION	77	(chain G and resid 82:97)
78	X-RAY DIFFRACTION	78	(chain G and resid 98:124)
79	X-RAY DIFFRACTION	79	(chain G and resid 125:136)
80	X-RAY DIFFRACTION	80	(chain G and resid 137:148)
81	X-RAY DIFFRACTION	81	(chain G and resid 149:154)
82	X-RAY DIFFRACTION	82	(chain G and resid 155:176)
83	X-RAY DIFFRACTION	83	(chain G and resid 177:189)
84	X-RAY DIFFRACTION	84	(chain G and resid 190:198)
85	X-RAY DIFFRACTION	85	(chain H and resid 36:44)
86	X-RAY DIFFRACTION	86	(chain H and resid 45:64)
87	X-RAY DIFFRACTION	87	(chain H and resid 65:81)
88	X-RAY DIFFRACTION	88	(chain H and resid 82:90)
89	X-RAY DIFFRACTION	89	(chain H and resid 91:98)
90	X-RAY DIFFRACTION	90	(chain H and resid 99:127)
91	X-RAY DIFFRACTION	91	(chain H and resid 128:136)
92	X-RAY DIFFRACTION	92	(chain H and resid 137:152)
93	X-RAY DIFFRACTION	93	(chain H and resid 153:176)
94	X-RAY DIFFRACTION	94	(chain H and resid 177:184)
95	X-RAY DIFFRACTION	95	(chain H and resid 185:195)
96	X-RAY DIFFRACTION	96	(chain H and resid 196:204)
97	X-RAY DIFFRACTION	97	(chain I and resid 36:41)
98	X-RAY DIFFRACTION	98	(chain I and resid 42:55)
99	X-RAY DIFFRACTION	99	(chain I and resid 56:61)
100	X-RAY DIFFRACTION	100	(chain I and resid 62:72)
101	X-RAY DIFFRACTION	101	(chain I and resid 73:81)
102	X-RAY DIFFRACTION	102	(chain I and resid 82:90)
103	X-RAY DIFFRACTION	103	(chain I and resid 91:137)
104	X-RAY DIFFRACTION	104	(chain I and resid 138:150)
105	X-RAY DIFFRACTION	105	(chain I and resid 151:164)
106	X-RAY DIFFRACTION	106	(chain I and resid 165:183)
107	X-RAY DIFFRACTION	107	(chain I and resid 184:193)
108	X-RAY DIFFRACTION	108	(chain I and resid 194:198)
109	X-RAY DIFFRACTION	109	(chain J and resid 36:41)
110	X-RAY DIFFRACTION	110	(chain J and resid 42:59)
111	X-RAY DIFFRACTION	111	(chain J and resid 60:66)
112	X-RAY DIFFRACTION	112	(chain J and resid 67:81)
113	X-RAY DIFFRACTION	113	(chain J and resid 82:98)
114	X-RAY DIFFRACTION	114	(chain J and resid 99:122)
115	X-RAY DIFFRACTION	115	(chain J and resid 123:136)
116	X-RAY DIFFRACTION	116	(chain J and resid 137:148)
117	X-RAY DIFFRACTION	117	(chain J and resid 149:154)
118	X-RAY DIFFRACTION	118	(chain J and resid 155:176)
119	X-RAY DIFFRACTION	119	(chain J and resid 177:193)
120	X-RAY DIFFRACTION	120	(chain J and resid 194:198)