PDB-5nmp: Isatin hydrolase A (IHA) from Ralstonia solanacearum

Basic information

• Entry: Database: PDB / ID: 5nmp
• Title: Isatin hydrolase A (IHA) from Ralstonia solanacearum
• Components: Isatin hydrolase
• Keywords: HYDROLASE / Isatin / ralstonia

Function / homology

Function:

arylformamidase activity / tryptophan catabolic process to kynurenine

Domain/homology:

Putative cyclase / Kynurenine formamidase/cyclase-like / Kynurenine formamidase superfamily / Putative cyclase / Glucose Oxidase; domain 1 / 3-Layer(bba) Sandwich / Alpha Beta

Component:

: / SUCCINIC ACID / Uncharacterized protein

• Biological species: Ralstonia solanacearum (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.65 Å
• Authors: Sommer, T. / Bjerregaard-Andersen, K. / Morth, J.P.

Funding support

Denmark, Norway, 2items

Organization	Grant number	Country
Lundbeck	R34-A3616	Denmark
Research Council of Norway	ES486454	Norway

• Citation: Journal: Sci Rep / Year: 2018; Title: A fundamental catalytic difference between zinc and manganese dependent enzymes revealed in a bacterial isatin hydrolase.; Authors: Sommer, T. / Bjerregaard-Andersen, K. / Uribe, L. / Etzerodt, M. / Diezemann, G. / Gauss, J. / Cascella, M. / Morth, J.P.

History

Deposition	Apr 6, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 16, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jun 20, 2018	Group: Data collection / Category: diffrn_source Item: _diffrn_source.pdbx_synchrotron_beamline / _diffrn_source.type
Revision 1.2	Sep 12, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.3	Jan 17, 2024	Group: Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id

Assembly

Deposited unit

A: Isatin hydrolase

B: Isatin hydrolase

C: Isatin hydrolase

D: Isatin hydrolase

E: Isatin hydrolase

F: Isatin hydrolase

G: Isatin hydrolase

H: Isatin hydrolase

I: Isatin hydrolase

J: Isatin hydrolase

hetero molecules

Summary:

• 291 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	291,079	28
Polymers	289,584	10
Non-polymers	1,494	18
Water	4,432	246

1

A: Isatin hydrolase

B: Isatin hydrolase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration, run equivalent to a dimer
• 58.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	58,263	6
Polymers	57,917	2
Non-polymers	346	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8020 Å2
ΔGint	-63 kcal/mol
Surface area	19650 Å2
Method	PISA

2

C: Isatin hydrolase

D: Isatin hydrolase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration
• 58.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	58,263	6
Polymers	57,917	2
Non-polymers	346	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8140 Å2
ΔGint	-64 kcal/mol
Surface area	19610 Å2
Method	PISA

3

E: Isatin hydrolase

F: Isatin hydrolase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration
• 58.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	58,263	6
Polymers	57,917	2
Non-polymers	346	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8130 Å2
ΔGint	-64 kcal/mol
Surface area	19560 Å2
Method	PISA

4

G: Isatin hydrolase

H: Isatin hydrolase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration
• 58.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	58,145	5
Polymers	57,917	2
Non-polymers	228	3
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	7580 Å2
ΔGint	-65 kcal/mol
Surface area	19860 Å2
Method	PISA

5

I: Isatin hydrolase

J: Isatin hydrolase

hetero molecules

Summary:

• defined by author&software
• Evidence: gel filtration
• 58.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	58,145	5
Polymers	57,917	2
Non-polymers	228	3
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8120 Å2
ΔGint	-70 kcal/mol
Surface area	19900 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	164.840, 164.840, 275.890
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	154
Space group name H-M	P3221

Components

#1: Protein

A B C D E F G H I J
Isatin hydrolase

Details:

Mass: 28958.447 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ralstonia solanacearum (bacteria) / Strain: GMI1000 / Gene: RSc1835 / Plasmid: pET / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: Q8XYC3

#2: Chemical

A-301 B-301 C-301 D-301 E-301 F-301 G-301 H-301 I-301 J-301
ChemComp-MN / MANGANESE (II) ION

Details:

Mass: 54.938 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Mn

#3: Chemical

A-302 B-302 C-302 D-302 E-302 F-302 H-302 I-302
ChemComp-SIN / SUCCINIC ACID / Succinic acid

Details:

Mass: 118.088 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₄H₆O₄

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 246 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 3.75 ų/Da / Density % sol: 67.21 %
• Crystal grow: Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 1 M succinate, 0.1 M HEPES

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-1 / Wavelength: 0.9762 Å
• Detector: Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Nov 1, 2015
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.9762 Å / Relative weight: 1
• Reflection: Resolution: 2.65→99.199 Å / Num. obs: 125897 / % possible obs: 95.1 % / Redundancy: 2 % / R_merge(I) obs: 0.093 / R_pim(I) all: 0.057 / Net I/σ(I): 15.6
• Reflection shell: Resolution: 2.65→2.72 Å / Mean I/σ(I) obs: 1.5 / Num. unique obs: 9226 / R_pim(I) all: 0.663 / % possible all: 99.4

Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 4J0N

4j0n

Resolution: 2.65→99.199 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 0.81 / Phase error: 21.47 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.1925	12152	5.02 %
Rwork	0.1609	-	-
obs	0.1625	241930	99.31 %

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

Refinement step

Cycle: LAST / Resolution: 2.65→99.199 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	20298	0	74	246	20618

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	21032
X-RAY DIFFRACTION	f_angle_d	0.653	28759
X-RAY DIFFRACTION	f_dihedral_angle_d	10.793	7333
X-RAY DIFFRACTION	f_chiral_restr	0.028	3106
X-RAY DIFFRACTION	f_plane_restr	0.004	3807

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.65-2.6801	0.3155	378	0.3068	7531	X-RAY DIFFRACTION	97
2.6801-2.7117	0.3455	424	0.2976	7561	X-RAY DIFFRACTION	99
2.7117-2.7447	0.3179	373	0.2924	7823	X-RAY DIFFRACTION	99
2.7447-2.7795	0.3183	429	0.2913	7542	X-RAY DIFFRACTION	99
2.7795-2.816	0.334	418	0.2954	7682	X-RAY DIFFRACTION	99
2.816-2.8546	0.3245	481	0.2938	7567	X-RAY DIFFRACTION	100
2.8546-2.8954	0.3106	435	0.2856	7732	X-RAY DIFFRACTION	100
2.8954-2.9386	0.295	374	0.269	7682	X-RAY DIFFRACTION	100
2.9386-2.9846	0.2855	400	0.2546	7684	X-RAY DIFFRACTION	100
2.9846-3.0335	0.2914	420	0.2391	7684	X-RAY DIFFRACTION	100
3.0335-3.0858	0.2717	427	0.2276	7620	X-RAY DIFFRACTION	100
3.0858-3.1419	0.2791	416	0.2248	7684	X-RAY DIFFRACTION	100
3.1419-3.2023	0.2531	410	0.2101	7696	X-RAY DIFFRACTION	100
3.2023-3.2677	0.2604	401	0.2063	7667	X-RAY DIFFRACTION	99
3.2677-3.3388	0.2438	395	0.2052	7715	X-RAY DIFFRACTION	100
3.3388-3.4164	0.2577	411	0.202	7681	X-RAY DIFFRACTION	99
3.4164-3.5019	0.222	379	0.1973	7735	X-RAY DIFFRACTION	100
3.5019-3.5966	0.2036	410	0.1606	7627	X-RAY DIFFRACTION	100
3.5966-3.7024	0.1698	382	0.1471	7748	X-RAY DIFFRACTION	99
3.7024-3.8219	0.1708	438	0.1465	7685	X-RAY DIFFRACTION	100
3.8219-3.9585	0.1578	389	0.1355	7634	X-RAY DIFFRACTION	99
3.9585-4.117	0.1668	373	0.1304	7768	X-RAY DIFFRACTION	100
4.117-4.3044	0.1414	387	0.1211	7602	X-RAY DIFFRACTION	99
4.3044-4.5313	0.1511	359	0.1127	7664	X-RAY DIFFRACTION	98
4.5313-4.8152	0.1346	396	0.1058	7655	X-RAY DIFFRACTION	99
4.8152-5.187	0.1429	405	0.1124	7659	X-RAY DIFFRACTION	99
5.187-5.7089	0.1471	424	0.1278	7627	X-RAY DIFFRACTION	99
5.7089-6.5349	0.1731	387	0.1295	7643	X-RAY DIFFRACTION	99
6.5349-8.2327	0.1454	399	0.1287	7653	X-RAY DIFFRACTION	99
8.2327-99.2685	0.1534	432	0.1273	7527	X-RAY DIFFRACTION	98

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	7.3567	-4.9412	-1.3265	6.8294	0.6768	3.9519	0.2598	0.459	-0.8765	-0.6454	-0.6088	0.6008	0.1949	0.2594	0.2516	0.8166	-0.0266	-0.0674	0.7235	0.1144	0.6712	195.6862	81.8534	231.9793
2	5.0412	1.92	-5.1124	1.8537	-0.9261	6.0249	-0.1613	0.1012	0.43	0.0613	0.2869	0.1331	0.3784	-0.5137	-0.1915	0.5597	0.0444	0.0252	0.4812	0.0701	0.4756	183.1473	81.8556	255.6825
3	7.5559	3.9077	-3.4742	3.6377	-3.4169	3.5168	-0.4053	-0.3977	0.1752	0.6788	0.4004	0.9863	0.0951	-0.8371	-0.0483	0.7582	-0.0118	0.0833	0.5907	0.019	0.5222	182.9718	67.5374	274.8092
4	7.1988	5.2096	1.3204	4.6157	0.5247	4.1836	0.1887	-0.1474	0.2355	1.0167	-0.352	0.2671	-0.8073	0.3406	0.2371	0.9033	-0.0186	-0.149	0.5531	0.0433	0.6931	196.1976	93.841	273.4353
5	0.7356	0.0085	0.2225	2.1319	0.4012	0.7527	-0.0929	0.1799	-0.0071	0.2716	0.0093	-0.2517	0.0678	0.133	0.0826	0.5486	0.0013	0.0445	0.4794	0.0372	0.4424	191.8275	68.3066	259.1495
6	6.1354	-2.5368	-4.1877	7.8407	2.5083	7.3033	-0.204	0.6132	-0.3058	-0.2165	-0.2521	0.99	-0.0101	-0.5225	0.4714	0.473	-0.0293	-0.069	0.5725	-0.01	0.5886	168.2504	64.347	248.6046
7	5.3093	-1.0057	-4.3967	5.944	3.2339	5.7108	-0.5477	0.0301	-0.2868	0.0453	0.0816	0.5087	0.1977	0.4168	0.4752	0.4966	-0.0301	0.0054	0.4609	0.0815	0.3425	176.8838	69.2426	250.2383
8	2.7433	-1.0732	-1.8562	8.312	5.2648	7.9466	-0.3196	0.017	-0.1143	0.5086	-0.0811	1.12	0.1803	-0.1201	0.395	0.6175	0.0739	0.1193	0.4559	0.0278	0.5593	170.5954	67.746	266.3961
9	5.9861	-2.0063	-2.5136	7.0533	4.1623	5.766	0.0485	0.4242	-0.2639	0.1164	-0.1409	-0.143	0.1234	-0.1096	0.1585	0.5933	-0.0009	0.0224	0.4778	0.0216	0.4855	179.7885	60.0894	251.7536
10	4.8741	0.5368	-0.7985	3.3796	-1.6623	0.9037	-0.2835	-0.189	-0.1302	0.2003	0.1973	-0.0853	0.2759	0.2337	0.0918	0.6113	-0.0364	0.0951	0.4755	-0.0344	0.3912	181.3869	57.9224	259.22
11	3.6799	0.4377	1.9265	2.5545	-0.5969	2.7572	-0.0793	0.4092	0.1079	-0.0091	0.0293	0.0962	-0.0609	0.1451	0.0366	0.5097	-0.0309	0.0695	0.4675	0.0316	0.349	186.8206	74.9839	251.8467
12	3.9433	-3.6752	3.732	3.4816	-2.9784	6.7546	0.3861	1.6049	-0.5941	-0.6577	-0.5524	0.2619	0.3184	-0.0024	0.1216	0.7468	-0.0583	0.0427	0.8215	0.0499	0.5255	190.5531	73.6757	234.7788
13	5.9147	0.923	5.2765	3.7209	1.6867	4.8924	-0.2317	0.0575	0.1294	0.0155	-0.1464	-0.2996	-0.257	0.867	0.2481	0.538	-0.0634	0.0388	0.5021	0.1036	0.5889	204.9456	73.6844	254.977
14	4.6007	1.5263	2.8315	8.7696	6.3559	8.8401	-0.0121	0.0925	-0.0949	0.8987	0.0534	-0.9763	-0.2096	0.7478	-0.0071	0.7648	-0.0244	-0.1483	0.6213	0.0213	0.7331	205.6074	86.8854	274.7856
15	7.8481	3.977	-2.2316	4.2117	-2.8203	2.1694	0.529	-0.2389	0.1902	1.1091	-0.4142	0.2358	0.2656	-0.2218	-0.0129	0.8262	0.028	0.0001	0.5435	0.002	0.4577	192.2289	60.8129	272.6196
16	1.0139	0.3964	0.8515	1.7119	-0.1345	0.7706	-0.0986	0.3209	0.3418	0.1519	-0.1254	-0.1477	-0.426	0.2164	0.2122	0.6552	-0.0544	-0.0331	0.5067	0.0961	0.5372	196.3357	87.1743	259.5673
17	2.1155	-1.1364	1.983	6.3168	-2.0492	6.9308	-0.1606	0.6551	0.668	-0.1868	-0.2773	-1.1358	-0.401	0.7768	0.5682	0.6325	-0.2002	0.0453	0.9864	0.2959	1.0104	219.4505	91.8159	248.1861
18	3.3282	1.444	0.3633	3.438	-0.2111	1.2535	-0.1886	0.2225	0.4703	0.1297	-0.0448	-0.2967	-0.4092	0.2003	0.2929	0.6448	-0.124	-0.0652	0.5812	0.1331	0.6956	211.9716	90.4876	255.7649
19	6.6935	-5.7999	6.5075	5.087	-5.9433	8.0718	-0.69	-0.5046	0.8657	0.5816	-0.0055	-0.4734	-0.1467	-0.2783	0.641	0.8644	-0.1449	-0.0503	0.6325	0.1413	0.943	209.6913	99.1985	262.0027
20	3.5009	-1.2668	-0.3969	3.0831	1.5437	3.2274	-0.0276	0.3959	0.1923	-0.1666	-0.1232	-0.3106	-0.299	0.1547	0.1139	0.5493	-0.08	0.0035	0.5221	0.1388	0.4803	200.8319	82.9263	252.3367
21	8.3398	3.0044	1.6371	9.0285	-0.1866	8.6459	0.2451	-0.8787	-1.543	0.4134	0.172	-0.3931	1.1457	0.2054	-0.2645	0.9129	-0.0206	-0.0091	0.5237	0.151	0.6896	181.5351	16.0397	319.0305
22	4.1938	-3.9692	5.7009	7.1554	-6.9243	8.9149	-0.1442	-0.1086	-0.026	0.7913	0.1819	0.4023	-0.9031	-0.6183	-0.1009	0.5557	0.0645	0.2077	0.4857	0.0665	0.5836	168.7425	32.859	305.6034
23	5.958	6.1702	-6.1717	6.3635	-6.3997	6.4652	0.0714	0.3866	0.17	0.6302	-0.1407	0.827	-0.926	-0.6391	-0.0666	0.7016	-0.017	0.0588	0.7095	0.0603	0.7489	172.8345	44.9013	285.3934
24	4.6318	4.077	2.1526	3.7199	2.5419	3.7033	0.095	0.4131	-0.0436	-0.3078	0.179	0.7205	0.3775	-0.1151	-0.2412	0.6298	0.0324	0.0799	0.6516	0.0572	0.8215	157.3695	19.8349	287.1513
25	1.648	0.3268	0.372	0.7193	0.2681	0.659	-0.0189	0.3636	0.0717	0.0637	0.0981	-0.0269	0.0816	0.1527	-0.0723	0.5308	0.0426	0.1161	0.5331	0.0533	0.5818	182.1144	33.4951	295.7936
26	3.4524	-0.3667	1.7513	0.982	-0.5231	2.3191	0.0797	-0.1344	0.4836	0.2335	-0.0268	-0.0393	-0.1413	-0.1094	-0.0645	0.5866	0.0827	0.1688	0.5031	0.0347	0.6485	179.6897	48.8043	312.2322
27	3.182	1.5691	2.6622	3.0358	1.1818	2.245	0.043	-0.0347	1.0869	-0.3828	-0.2648	0.3325	-0.0048	-0.0417	0.1453	0.6179	0.111	0.1366	0.5856	0.1465	0.7745	171.2317	53.1313	297.895
28	7.5041	-1.2862	1.5187	2.5779	0.5901	2.631	-0.0202	0.1568	0.4128	0.0194	0.0996	-0.1731	-0.2915	-0.005	-0.0374	0.5701	0.0237	0.1773	0.5198	0.0221	0.5667	187.0131	45.8713	305.2924
29	4.0273	-2.8359	-0.5347	3.9082	-0.9218	1.7628	-0.0682	0.5467	0.6896	-0.3733	0.1593	-0.5021	-0.0633	-0.3014	-0.0711	0.5897	0.0217	0.0862	0.6095	0.0887	0.6813	186.2893	51.1095	296.3744
30	1.596	-0.5178	0.7404	1.7188	-0.0056	1.7304	-0.1195	0.0093	0.1319	0.1015	0.233	0.1316	0.0434	-0.1596	-0.109	0.5042	0.0165	0.0966	0.4676	0.0567	0.5603	179.0453	33.4801	304.9018
31	3.1934	3.6149	-2.6256	6.7309	0.3372	6.3982	-0.6953	-1.6981	0.2918	1.1006	0.3844	0.532	0.2098	0.6835	0.1666	0.8197	0.14	-0.0584	0.7232	0.0258	0.7116	185.3612	27.1187	320.1444
32	1.8122	0.869	3.6801	1.46	0.0393	9.8326	-0.1326	0.1849	0.0342	-0.0916	-0.1281	-0.2575	0.2983	0.513	0.0106	0.6052	0.1039	0.0942	0.6423	-0.0104	0.7194	184.6274	18.9696	295.5484
33	7.0786	5.6903	3.8719	4.6199	3.1415	2.7876	0.1825	1.0067	-0.5809	-0.2511	0.0107	-0.8104	0.2666	0.2149	-0.3118	0.7591	0.0304	0.0908	0.6436	-0.0128	0.8185	166.3812	16.1225	280.6235
34	3.914	2.3641	2.0924	6.3896	3.3521	4.5351	-0.6709	1.2229	0.3028	-0.8738	0.7057	-0.0168	-0.3956	0.7441	-0.0808	0.6866	-0.0637	0.0716	0.7573	0.0433	0.5895	183.0371	40.2439	282.0276
35	1.27	0.3802	0.5156	1.9862	0.0223	1.1019	0.0015	0.0292	-0.1499	0.1433	0.1141	0.1549	0.2741	-0.2453	-0.1148	0.6424	0.0034	0.1331	0.5585	0.0527	0.669	168.2	20.1661	297.9772
36	3.2385	0.1229	0.4638	3.3265	0.0467	8.0874	-0.2648	-0.0742	-0.4683	0.2193	0.2349	-0.3234	1.5903	0.4076	0.0399	0.9899	0.1358	0.0598	0.4257	-0	0.9344	178.3681	-3.8777	300.1188
37	1.6527	0.8593	0.8877	2.6058	0.7256	5.1384	-0.0429	0.2052	-0.4426	0.1308	0.0622	-0.1351	0.257	-0.2986	-0.1109	0.6466	0.0274	0.1193	0.4993	-0.0199	0.7461	176.51	4.9496	292.1255
38	4.6551	-0.0519	-0.3816	3.0801	-0.6161	7.6157	0.2338	-0.099	-0.3227	0.3303	-0.216	0.2825	0.2408	-0.2518	0.0262	0.7815	-0.0774	0.1258	0.5287	0.0705	0.794	168.7629	4.365	301.7845
39	2.5718	-0.9285	-0.2501	3.5155	2.6934	2.6886	0.0824	0.0698	-0.1418	0.0226	-0.3058	0.5133	0.1747	-0.6387	0.1429	0.7145	-0.0906	0.1267	0.5307	0.0851	0.7564	163.9996	6.2489	295.8067
40	4.7864	-0.3253	1.2858	2.9256	-0.5398	3.3079	-0.0592	0.0161	-0.1997	0.2625	0.0891	-0.0835	0.3252	0.0273	0.0461	0.6229	0.0016	0.1004	0.4153	0.028	0.6067	178.3759	17.6913	301.6843
41	8.5439	0.6734	0.4383	5.7624	0.8849	8.1874	0.7196	-0.2958	-0.918	0.3085	0.0653	0.9739	0.9852	-1.9075	-0.6122	0.6084	-0.084	0.0247	0.7174	0.1078	1.1008	107.7715	29.921	278.9593
42	4.3802	0.286	0.4263	1.8339	0.7707	1.834	0.1772	-0.0147	-0.2058	0.0958	-0.2953	-0.9108	-0.1844	0.5137	0.1632	0.5048	-0.0084	-0.047	0.7088	0.1329	0.8151	138.0849	45.2622	282.0569
43	6.0888	-4.1055	-4.6105	6.8036	3.5749	4.1024	0.3954	-0.701	1.8041	0.0687	-0.1758	-0.4167	-0.4983	0.4401	-0.2993	0.6477	-0.1469	0.0213	0.6525	-0.072	0.9802	124.9369	65.6379	285.3709
44	2.5619	-0.1717	-0.1633	0.9241	0.2748	0.4478	0.0296	0.3483	-0.2427	-0.2382	0.0644	-0.3393	-0.0726	0.262	-0.0503	0.5876	-0.0726	0.0576	0.7514	-0.0542	0.706	133.3084	41.0635	271.314
45	5.4429	3.0389	0.72	5.8264	0.9831	5.3873	-0.0003	-0.1374	-0.792	0.4019	0.0683	-0.1514	0.7279	0.2339	-0.1048	0.6753	0.1379	0.0033	0.7016	0.0666	1.0865	144.1354	21.9199	285.4514
46	6.5485	-0.3649	1.987	3.5785	1.0474	3.1715	-0.0516	0.2137	-0.3661	0.0003	0.0231	-0.2569	0.2027	0.3541	-0.0658	0.5301	0.0098	0.0545	0.6306	0.0578	0.7641	142.9203	31.1547	280.2566
47	9.5241	0.9392	5.9702	1.8332	0.3969	8.2267	-0.1951	1.2136	0.0204	-0.2418	0.1974	-0.6576	-0.3364	0.9166	-0.0082	0.5785	-0.0171	0.0848	0.6502	-0.0836	0.8647	145.497	32.9241	271.1878
48	2.5656	-0.8911	0.5411	4.2763	-2.7577	4.3367	0.0438	-0.1264	-0.3525	0.0258	-0.013	-0.1251	0.2221	0.1899	-0.0577	0.488	-0.0472	0.0157	0.543	0.0035	0.7882	128.7195	36.173	280.2094
49	7.8724	1.3925	0.1405	6.9372	1.0528	8.6909	0.5133	0.0381	-1.2497	-0.1587	0.0709	-0.8767	1.7298	0.1239	-0.7385	0.7686	-0.0572	-0.0353	0.6025	-0.0576	1.2807	117.2179	22.8595	278.1952
50	7.0645	3.2586	-4.2721	4.099	-4.9522	5.9065	-0.2647	1.1804	-0.0285	-0.7033	0.4442	0.5068	0.0976	-0.0769	-0.225	0.5107	-0.0407	-0.0556	0.7869	-0.0118	0.6716	119.7764	44.7733	266.6999
51	3.7473	-1.6135	-3.2773	9.5941	3.2863	6.5495	0.2397	0.8258	1.3354	-1.3275	-0.3778	0.0572	-1.2123	0.2111	0.0096	0.5873	-0.0653	-0.0405	0.6958	0.1359	1.1551	123.2176	67.2358	273.8722
52	4.5533	-5.6681	-0.6644	7.3683	0.5776	2.9214	-0.1488	0.6585	0.6769	-0.0815	-0.3866	-1.3611	0.0214	0.7069	0.2611	0.694	-0.1109	0.1945	0.8978	0.0568	1.0433	144.682	49.0095	264.614
53	4.6022	0.2333	0.151	1.5439	0.1498	0.5474	0.1928	-0.0988	0.211	0.1997	-0.0701	-0.1866	-0.1592	0.1809	-0.1379	0.5399	-0.0841	-0.0218	0.549	0.0307	0.5984	120.6106	51.4468	281.8381
54	8.8722	7.286	-4.2301	8.5796	-1.5987	5.0875	-0.0562	0.8275	0.7324	-0.464	0.2983	0.8588	-0.1252	-0.7749	-0.3171	0.4599	0.0013	-0.1399	0.666	0.0756	0.833	97.1679	52.7445	270.1293
55	7.5962	2.6579	-1.1642	9.1544	-5.9636	8.8459	0.3062	0.601	-0.1708	0.3053	-0.0709	0.3532	-0.1997	0.2619	-0.2433	0.4151	-0.0166	-0.0636	0.44	-0.0463	0.5267	106.2988	48.7824	272.2848
56	8.6802	0.2924	-6.3749	7.1024	-0.8878	7.0736	0.2163	0.6319	0.6134	-0.7325	-0.4547	-0.1261	-0.6042	0.1579	0.2646	0.7452	-0.0816	-0.1697	0.7201	0.2233	0.9935	110.6115	64.5583	266.1332
57	1.6152	0.9008	0.3203	7.532	-1.3308	7.3871	-0.092	-0.3218	0.1966	0.0094	0.0092	0.4505	-0.0156	-0.0431	-0.0444	0.468	-0.0151	0.0058	0.578	-0.0698	0.741	104.5505	53.6265	280.5571
58	5.0671	-1.9131	2.8999	1.6319	-0.5304	6.1669	-0.1379	-0.1721	0.935	0.4408	-0.0719	-0.0459	-0.817	0.1332	0.2722	0.5253	-0.0955	0.0609	0.5592	-0.0795	0.7712	108.7848	60.0871	281.8859
59	7.6894	2.8696	3.045	6.1212	1.8301	4.2628	0.1449	0.2361	-0.5615	-0.2577	-0.0192	-0.1985	0.2373	-0.0744	-0.1646	0.4575	-0.0208	0.0581	0.5095	0.0245	0.5485	116.547	43.9498	274.7138
60	7.2651	-6.0445	-5.2235	8.4058	5.5914	4.2368	-0.3024	0.6217	-0.416	-0.1355	0.1388	0.1977	1.112	-0.1002	0.2903	0.8586	-0.1547	0.0685	0.7735	-0.2779	1.0068	107.852	75.764	283.6661
61	6.9631	-4.1208	-5.7201	4.1127	6.1926	9.3682	-0.3674	-0.2207	-0.3367	-0.0996	0.0539	0.5578	-0.1301	0.2131	0.2585	0.5714	-0.0558	-0.0214	0.6122	-0.0394	0.6752	100.2472	91.2382	302.2589
62	4.7376	5.6799	4.9488	7.0286	5.4905	8.3589	1.5896	-1.0274	0.4514	1.6145	-0.8359	-0.1177	-0.4953	-0.4507	-0.7362	1.0388	-0.1306	-0.0989	0.6711	-0.0936	1.1637	100.8562	114.9753	305.417
63	4.8024	-2.8667	3.6456	1.9902	-2.6847	5.1831	-0.4974	-0.1009	1.9213	-1.777	-0.8142	2.8055	-0.4648	-0.7827	1.0348	0.9917	0.1468	-0.4653	0.71	-0.1589	1.436	77.6649	99.9547	295.3857
64	3.7862	2.2388	-1.174	4.1936	1.4289	2.4853	-0.4103	0.6257	0.6099	-1.0776	0.507	-0.1565	-0.6634	0.5685	-0.0777	0.8797	-0.2587	0.0138	0.7109	0.0225	0.7315	107.1793	103.3169	293.2532
65	4.3808	0.5035	-0.9523	4.0559	0.2453	5.408	0.1936	-0.1047	-0.8746	0.015	0.0965	-1.1213	0.1646	1.4267	-0.2088	0.4722	-0.0205	-0.0291	0.8452	-0.0601	0.9836	118.7515	94.0992	310.0788
66	9.4043	2.7377	-4.2344	8.6747	0.3683	5.9083	0.0457	-0.5333	0.219	-0.0616	0.1011	-0.2111	-0.6463	0.7775	-0.1216	0.6317	-0.1418	-0.0571	0.6986	-0.0299	0.6186	108.104	106.5386	315.4435
67	6.8642	1.7807	-0.4613	2.1263	-0.8769	4.3531	-0.2443	0.5327	0.1648	-0.555	0.5763	-1.1922	-0.2827	1.3463	-0.3479	0.6074	-0.1766	0.1311	0.9651	-0.2219	1.0422	120.4476	100.9547	302.2103
68	1.3649	1.8496	2.13	6.1752	3.3991	6.8674	-0.5593	0.0807	-0.0016	-1.0734	0.5849	-0.3145	-1.4517	1.1929	-0.1784	0.6814	-0.299	0.1232	0.9043	-0.133	0.8091	117.5397	108.2693	302.1886
69	5.1489	1.3766	1.9251	7.6653	-0.4986	5.8196	-0.2743	0.2922	-0.2733	-0.7719	0.254	-0.1466	0.0517	0.6213	0.0083	0.5186	-0.0585	0.088	0.5826	-0.1205	0.5997	107.0066	92.8779	297.023
70	7.2317	-2.396	1.9272	3.8541	-1.3517	3.7868	-0.5694	0.6616	-0.2518	-1.4296	0.5494	-0.7278	-0.1272	0.596	-0.0586	0.9115	-0.2326	0.1412	0.8506	-0.0942	0.805	108.4397	89.2954	284.284
71	3.9262	1.7575	-3.7509	1.4657	-0.5007	5.5599	0.0789	1.5486	0.5028	-1.0925	-0.2309	1.6436	-1.1636	-0.8723	0.1796	1.3372	-0.021	-0.7494	0.8224	0.0906	1.7077	80.1947	106.319	285.6845
72	3.1427	1.7717	0.1153	3.3247	0.9124	1.9482	-0.5429	0.2258	0.5367	-0.924	0.2336	0.6458	-0.4967	0.2177	0.2969	0.8393	-0.1358	-0.2369	0.5267	0.0789	0.6432	94.3909	99.2322	292.0817
73	5.6029	-0.1391	-1.1961	2.8774	1.8377	1.3861	-0.7116	1.7049	0.0307	-2.1828	0.6822	0.2005	-0.021	-0.6958	0.282	1.7807	-0.6089	-0.1071	1.4344	-0.0818	0.6688	87.8806	84.4458	266.4593
74	5.707	-0.1509	-1.1927	1.4234	-1.0734	1.1525	-1.0579	1.5686	-0.0257	-1.2571	0.958	0.3594	-0.3666	0.1373	0.3708	1.549	-0.5131	-0.1312	0.8456	0.0767	0.5916	93.2419	87.5508	274.5559
75	0.7124	0.2694	-0.9685	1.9466	-0.2454	1.3258	-0.793	1.0782	0.8041	-0.1532	0.6822	0.6349	-0.766	-0.4371	0.1147	1.7782	-0.3903	-0.711	1.2417	0.4435	1.1957	82.5238	101.1326	271.687
76	2.6362	0.705	-0.6685	3.6941	-0.269	4.7919	-0.9762	1.2806	-0.2653	-1.4125	0.5977	0.1228	0.2317	-0.2946	0.279	1.2284	-0.3932	-0.1582	0.8038	-0.0083	0.9077	85.3312	83.6864	278.9823
77	6.0003	2.5539	-0.4226	1.3215	0.391	3.0968	-0.9995	0.8749	0.539	-1.1991	0.5352	0.6375	-0.1622	-0.5705	0.3811	1.1995	-0.2973	-0.2926	0.8091	0.0213	0.9386	80.0821	88.7267	282.2544
78	6.9943	-0.1645	-1.831	4.4977	0.6954	6.5962	-0.6065	0.6429	-0.0104	-1.1708	0.2281	-0.1002	-0.1291	0.3788	0.2881	0.8934	-0.2492	-0.0416	0.5829	-0.0202	0.6178	99.1581	91.0555	283.9255
79	8.4602	-2.1729	1.2105	5.8397	0.6112	9.03	-0.1952	-0.3436	-1.4842	-0.0894	0.2812	-0.1457	1.0444	0.0599	-0.1466	0.6283	0.0881	0.1007	0.6227	0.0552	0.6046	163.7439	60.4392	289.6878
80	8.1192	-4.3027	0.8622	7.2453	-0.3584	3.7315	0.2575	0.3928	0.33	-0.043	-0.2547	0.2156	-0.1286	-0.1416	-0.0025	0.4762	-0.0397	0.0474	0.3738	0.0222	0.5388	154.7921	85.0021	287.3935
81	5.6612	-0.7306	5.4377	2.1806	-0.0381	5.6918	-0.3988	0.8106	1.4363	-0.0202	-0.3169	0.1938	-1.1118	0.1127	0.6884	0.7118	0.1099	0.0638	0.7754	0.1768	1.0066	132.9017	91.8562	280.8082
82	1.0451	0.308	0.3151	1.6659	0.9882	4.6675	-0.0267	-0.0128	0.1855	0.1964	0.018	0.4203	0.0218	-0.3826	0.0864	0.4796	0.0265	0.0723	0.5362	0.0518	0.7066	139.3725	80.53	290.5402
83	1.6163	0.0014	-0.3764	2.507	-0.1982	2.192	-0.0434	0.1106	0.2563	-0.2621	0.0451	0.1327	-0.1739	-0.0693	-0.0034	0.5025	-0.0318	-0.0179	0.4426	0.0565	0.6107	151.7626	84.9297	269.0834
84	1.0539	0.2941	1.7037	3.8861	-2.2442	4.8199	0.0042	-0.033	0.0625	-0.2579	0.2123	0.9929	-0.0058	-0.524	-0.178	0.4715	-0.0413	-0.0438	0.6621	0.0198	0.616	140.6865	81.7074	267.8034
85	3.3202	0.8843	-1.0775	3.212	-0.8691	3.3241	-0.1482	-0.0704	0.2233	-0.025	0.0712	-0.0646	-0.082	-0.0655	0.0727	0.4807	0.0312	0.0132	0.4216	-0.025	0.5142	152.8471	78.1202	282.4532
86	7.2314	-0.5965	-1.0233	4.642	-0.0425	7.9	-0.3363	0.548	-0.2949	-0.3965	0.2276	-0.9143	-0.2247	0.3129	0.0911	0.5576	0.0143	0.026	0.5136	-0.0153	0.5279	165.2292	67.0465	278.2765
87	8.3211	-2.7614	-4.8988	2.9224	2.9663	8.2761	-0.5662	-0.6953	-0.199	0.4519	0.4525	0.7437	0.7165	0.2871	0.0815	0.5508	-0.0568	0.1058	0.4885	0.0525	0.5924	142.8693	65.44	291.2102
88	3.3318	-1.3649	0.8508	5.7624	2.4056	8.6211	-0.2707	-0.5808	0.409	0.575	0.0455	0.9895	-0.1103	-0.4492	0.2067	0.6438	0.141	0.2064	0.6972	-0.0651	0.8312	133.8832	79.6664	308.077
89	2.6214	-1.5074	1.472	2.1062	-1.6411	8.8934	-0.0091	0.4545	-0.0025	-0.0511	0.0348	0.7764	-0.6466	-1.0787	-0.0639	0.5087	0.0185	-0.0413	0.7621	0.0374	1.0714	127.5806	81.511	279.4315
90	0.7849	0.8128	-0.1634	0.889	-0.2755	2.2291	-0.1348	-0.2004	0.3533	0.202	0.0247	0.0939	-0.2485	-0.1364	0.084	0.5421	0.0227	0.0851	0.4638	-0.0487	0.6101	149.2452	78.3214	299.3418
91	2.19	-1.6205	-0.2734	5.322	0.7885	4.701	-0.0864	-0.2214	-1.0687	0.2286	0.0149	0.2996	0.5499	-0.2175	0.0487	0.6987	0.0362	0.1388	0.5751	0.0758	0.577	151.2605	55.0314	311.2709
92	2.6414	0.3179	2.6499	1.0704	0.6559	2.728	0.2652	0.4383	0.0446	-0.0686	-0.1104	0.0075	0.2031	0.1036	-0.1127	0.552	0.0052	0.1709	0.5234	0.0197	0.4834	150.7453	61.4043	303.4125
93	6.4427	-0.5458	5.2556	3.2521	-0.0745	4.3461	0.0918	-0.0294	-0.1174	0.3032	0.0314	0.5842	0.0825	-0.613	-0.1752	0.5788	-0.016	0.2151	0.6571	0.0024	0.6791	135.7414	64.9722	311.5919
94	8.0304	-0.761	-0.0986	4.3415	-0.9272	0.6743	0.1741	-0.5449	0.1103	0.1755	-0.0577	-0.2544	-0.2399	0.1471	-0.0478	0.6071	0.0314	0.0792	0.5341	-0.033	0.3942	154.587	67.3523	310.0901
95	0.8433	-0.106	0.8932	1.16	-1.1238	1.8285	0.0175	-0.0763	0.0119	0.2239	-0.0096	0.1976	-0.1132	-0.2239	0.0146	0.6652	0.0352	0.0478	0.5682	-0.0611	0.5528	150.0814	73.0602	313.032
96	2.8309	0.323	0.1213	3.7216	-1.301	1.7717	-0.0377	-0.07	-0.226	-0.1198	-0.0693	0.1617	0.0864	-0.2967	0.0975	0.5094	0.027	0.1144	0.4906	0.0122	0.4669	150.3419	68.5033	294.2455

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid -1 through 18 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 19 through 35 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 36 through 49 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 50 through 64 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 65 through 112 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 113 through 137 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 138 through 155 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 156 through 176 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 177 through 201 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 202 through 226 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 227 through 263 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 4 through 18 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 19 through 35 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 36 through 49 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 50 through 64 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 65 through 112 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 113 through 137 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 138 through 201 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 202 through 219 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 220 through 263 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 4 through 18 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 19 through 35 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 36 through 49 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 50 through 64 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 65 through 112 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 113 through 155 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 156 through 176 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 177 through 201 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 202 through 219 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 220 through 263 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 1 through 18 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 19 through 35 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 36 through 49 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 50 through 64 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 65 through 112 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 113 through 137 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 138 through 176 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 177 through 201 )
39	X-RAY DIFFRACTION	39	chain 'D' and (resid 202 through 226 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 227 through 263 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 1 through 18 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid 19 through 49 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 50 through 64 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 65 through 112 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 113 through 137 )
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 138 through 201 )
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 202 through 226 )
48	X-RAY DIFFRACTION	48	chain 'E' and (resid 227 through 263 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 4 through 18 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 19 through 35 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 36 through 49 )
52	X-RAY DIFFRACTION	52	chain 'F' and (resid 50 through 64 )
53	X-RAY DIFFRACTION	53	chain 'F' and (resid 65 through 112 )
54	X-RAY DIFFRACTION	54	chain 'F' and (resid 113 through 137 )
55	X-RAY DIFFRACTION	55	chain 'F' and (resid 138 through 155 )
56	X-RAY DIFFRACTION	56	chain 'F' and (resid 156 through 176 )
57	X-RAY DIFFRACTION	57	chain 'F' and (resid 177 through 201 )
58	X-RAY DIFFRACTION	58	chain 'F' and (resid 202 through 226 )
59	X-RAY DIFFRACTION	59	chain 'F' and (resid 227 through 263 )
60	X-RAY DIFFRACTION	60	chain 'G' and (resid 3 through 18 )
61	X-RAY DIFFRACTION	61	chain 'G' and (resid 19 through 35 )
62	X-RAY DIFFRACTION	62	chain 'G' and (resid 36 through 49 )
63	X-RAY DIFFRACTION	63	chain 'G' and (resid 50 through 64 )
64	X-RAY DIFFRACTION	64	chain 'G' and (resid 65 through 112 )
65	X-RAY DIFFRACTION	65	chain 'G' and (resid 113 through 155 )
66	X-RAY DIFFRACTION	66	chain 'G' and (resid 156 through 176 )
67	X-RAY DIFFRACTION	67	chain 'G' and (resid 177 through 201 )
68	X-RAY DIFFRACTION	68	chain 'G' and (resid 202 through 226 )
69	X-RAY DIFFRACTION	69	chain 'G' and (resid 227 through 263 )
70	X-RAY DIFFRACTION	70	chain 'H' and (resid 3 through 35 )
71	X-RAY DIFFRACTION	71	chain 'H' and (resid 36 through 49 )
72	X-RAY DIFFRACTION	72	chain 'H' and (resid 50 through 112 )
73	X-RAY DIFFRACTION	73	chain 'H' and (resid 113 through 137 )
74	X-RAY DIFFRACTION	74	chain 'H' and (resid 138 through 155 )
75	X-RAY DIFFRACTION	75	chain 'H' and (resid 156 through 176 )
76	X-RAY DIFFRACTION	76	chain 'H' and (resid 177 through 201 )
77	X-RAY DIFFRACTION	77	chain 'H' and (resid 202 through 226 )
78	X-RAY DIFFRACTION	78	chain 'H' and (resid 227 through 263 )
79	X-RAY DIFFRACTION	79	chain 'I' and (resid -1 through 18 )
80	X-RAY DIFFRACTION	80	chain 'I' and (resid 19 through 35 )
81	X-RAY DIFFRACTION	81	chain 'I' and (resid 36 through 49 )
82	X-RAY DIFFRACTION	82	chain 'I' and (resid 50 through 100 )
83	X-RAY DIFFRACTION	83	chain 'I' and (resid 101 through 201 )
84	X-RAY DIFFRACTION	84	chain 'I' and (resid 202 through 226 )
85	X-RAY DIFFRACTION	85	chain 'I' and (resid 227 through 263 )
86	X-RAY DIFFRACTION	86	chain 'J' and (resid 1 through 18 )
87	X-RAY DIFFRACTION	87	chain 'J' and (resid 19 through 35 )
88	X-RAY DIFFRACTION	88	chain 'J' and (resid 36 through 49 )
89	X-RAY DIFFRACTION	89	chain 'J' and (resid 50 through 64 )
90	X-RAY DIFFRACTION	90	chain 'J' and (resid 65 through 112 )
91	X-RAY DIFFRACTION	91	chain 'J' and (resid 113 through 137 )
92	X-RAY DIFFRACTION	92	chain 'J' and (resid 138 through 155 )
93	X-RAY DIFFRACTION	93	chain 'J' and (resid 156 through 176 )
94	X-RAY DIFFRACTION	94	chain 'J' and (resid 177 through 201 )
95	X-RAY DIFFRACTION	95	chain 'J' and (resid 202 through 226 )
96	X-RAY DIFFRACTION	96	chain 'J' and (resid 227 through 263 )