PDB-4c4u: Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E...

ID or keywords:

Entry

Database: PDB / ID: 4c4u

Title

Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form

Components

SUPEROXIDE REDUCTASE

Keywords

OXIDOREDUCTASE / OXYGEN DETOXIFICATION

Function / homology

Function and homology information

superoxide reductase / superoxide reductase activity / iron ion binding
Similarity search - Function

Biological species

ARCHAEOGLOBUS FULGIDUS (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.583 Å

Authors

Bandeiras, T.M. / Rodrigues, J.V. / Sousa, C.M. / Barradas, A.R. / Pinho, F.G. / Pinto, A.F. / Teixeira, M. / Matias, P.M. / Romao, C.V.

Citation

Journal: To be Published
Title: Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
Authors: Bandeiras, T.M. / Rodrigues, J.V. / Sousa, C.M. / Barradas, A.R. / Pinho, F.G. / Pinto, A.F. / Teixeira, M. / Matias, P. / Romao, C.V.

History

Deposition	Sep 9, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 6, 2014	Provider: repository / Type: Initial release
Revision 1.1	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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_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 / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4c4u.cif.gz	757.1 KB	Display	PDBx/mmCIF format
PDB format	pdb4c4u.ent.gz	637.5 KB	Display	PDB format
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Validation report

Summary document	4c4u_validation.pdf.gz	547.6 KB	Display	wwPDB validaton report
Full document	4c4u_full_validation.pdf.gz	573.9 KB	Display
Data in XML	4c4u_validation.xml.gz	69.7 KB	Display
Data in CIF	4c4u_validation.cif.gz	94.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c4/4c4u ftp://data.pdbj.org/pub/pdb/validation_reports/c4/4c4u	HTTPS FTP

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Related structure data

Related structure data	4bffC 4bfjC 4bfkC 4c4bC 4bglS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	4bff-4 4bff-2 4bff-3 4bfk-d 4bff-1 4bgl-d 2gtc-d 1dqi-d 4pa4-1 6mge-d 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

C: citing same article (ref.)

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	#111 - Mar 2009 Hydrogenase similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #147 - Mar 2012 Rhodopsin similarity (1) #61 - Jan 2005 Phenylalanine Hydroxylase similarity (1)

Deposited unit

A: SUPEROXIDE REDUCTASE

B: SUPEROXIDE REDUCTASE

C: SUPEROXIDE REDUCTASE

D: SUPEROXIDE REDUCTASE

E: SUPEROXIDE REDUCTASE

F: SUPEROXIDE REDUCTASE

G: SUPEROXIDE REDUCTASE

H: SUPEROXIDE REDUCTASE

I: SUPEROXIDE REDUCTASE

J: SUPEROXIDE REDUCTASE

K: SUPEROXIDE REDUCTASE

L: SUPEROXIDE REDUCTASE

M: SUPEROXIDE REDUCTASE

N: SUPEROXIDE REDUCTASE

O: SUPEROXIDE REDUCTASE

P: SUPEROXIDE REDUCTASE

hetero molecules

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

1

E: SUPEROXIDE REDUCTASE

F: SUPEROXIDE REDUCTASE

G: SUPEROXIDE REDUCTASE

H: SUPEROXIDE REDUCTASE

hetero molecules

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

2

I: SUPEROXIDE REDUCTASE

J: SUPEROXIDE REDUCTASE

K: SUPEROXIDE REDUCTASE

L: SUPEROXIDE REDUCTASE

hetero molecules

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

3

M: SUPEROXIDE REDUCTASE

N: SUPEROXIDE REDUCTASE

O: SUPEROXIDE REDUCTASE

P: SUPEROXIDE REDUCTASE

hetero molecules

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

4

A: SUPEROXIDE REDUCTASE

B: SUPEROXIDE REDUCTASE

C: SUPEROXIDE REDUCTASE

D: SUPEROXIDE REDUCTASE

hetero molecules

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

Unit cell

Length a, b, c (Å)	99.158, 108.317, 188.423
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	CHAIN A AND CHAIN B AND CHAIN C AND CHAIN...
2	1	1	CHAIN P

#1: Protein	SUPEROXIDE REDUCTASE / SOR Mass: 13711.564 Da / Num. of mol.: 16 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ARCHAEOGLOBUS FULGIDUS (archaea) / Plasmid: PT7-7/NAFE12QA / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD / References: UniProt: O29903, superoxide reductase
#2: Chemical	ChemComp-FE2 / FE (II) ION Mass: 55.845 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Fe
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 262 / 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: 2.26 Å³/Da / Density % sol: 45.58 % / Description: NONE
Crystal grow	pH: 4.6 / Details: 0.1 M SODIUM ACETATE, PH 4.6 AND 12% PEG 300

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8726
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Sep 30, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8726 Å / Relative weight: 1
Reflection	Resolution: 2.58→47.9 Å / Num. obs: 64229 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 3.9 % / B_iso Wilson estimate: 25.66 Å² / R_merge(I) obs: 0.17 / Net I/σ(I): 7.9
Reflection shell	Resolution: 2.58→2.62 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.67 / Mean I/σ(I) obs: 2.2 / % possible all: 98.9

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS	PROGRAM PACKAGE	data reduction
XDS	PROGRAM PACKAGE	data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4BGL

4bgl

Resolution: 2.583→47.947 Å / SU ML: 0.45 / σ(F): 1.99 / Phase error: 34.17 / Stereochemistry target values: ML
Details: THE STRUCTURE WAS REFINED WITH TORSION ANGLE NCS RESTRAINTS. SEE HEADD JJ, ECHOLS N, AFONINE PV, GROSSE- KUNSTLEVE RW, CHEN VB, MORIARTY NW, RICHARDSON DC, RICHARDSON JS, ADAMS PD. USE OF ...

	R_factor	Num. reflection	% reflection
R_free	0.3164	3249	5.1 %
R_work	0.2481	-	-
obs	0.2516	64094	99.52 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.583→47.947 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15216	0	16	262	15494

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.014	15744
X-RAY DIFFRACTION	f_angle_d	1.401	21472
X-RAY DIFFRACTION	f_dihedral_angle_d	12.465	5456
X-RAY DIFFRACTION	f_chiral_restr	0.072	2336
X-RAY DIFFRACTION	f_plane_restr	0.007	2720

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type
1	1	A	X-RAY DIFFRACTION	POSITIONAL
1	2	P	X-RAY DIFFRACTION	POSITIONAL

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.5826-2.6211	0.3844	128	0.3347	2545	X-RAY DIFFRACTION	96
2.6211-2.6621	0.4282	137	0.322	2612	X-RAY DIFFRACTION	100
2.6621-2.7057	0.3734	139	0.3073	2633	X-RAY DIFFRACTION	100
2.7057-2.7524	0.3938	125	0.3136	2615	X-RAY DIFFRACTION	100
2.7524-2.8024	0.3984	142	0.2934	2616	X-RAY DIFFRACTION	100
2.8024-2.8563	0.3496	169	0.2974	2599	X-RAY DIFFRACTION	100
2.8563-2.9146	0.352	138	0.3025	2629	X-RAY DIFFRACTION	100
2.9146-2.978	0.3427	119	0.3032	2646	X-RAY DIFFRACTION	100
2.978-3.0472	0.4019	124	0.2859	2616	X-RAY DIFFRACTION	100
3.0472-3.1234	0.3479	152	0.2683	2619	X-RAY DIFFRACTION	99
3.1234-3.2079	0.3479	130	0.2714	2652	X-RAY DIFFRACTION	100
3.2079-3.3022	0.3629	150	0.2676	2631	X-RAY DIFFRACTION	100
3.3022-3.4088	0.2922	144	0.254	2633	X-RAY DIFFRACTION	100
3.4088-3.5306	0.3315	134	0.2545	2625	X-RAY DIFFRACTION	99
3.5306-3.6719	0.3482	141	0.2528	2663	X-RAY DIFFRACTION	100
3.6719-3.8389	0.3524	156	0.2417	2602	X-RAY DIFFRACTION	100
3.8389-4.0412	0.3142	146	0.2322	2657	X-RAY DIFFRACTION	100
4.0412-4.2943	0.2389	152	0.1986	2642	X-RAY DIFFRACTION	100
4.2943-4.6256	0.2319	143	0.1882	2671	X-RAY DIFFRACTION	100
4.6256-5.0906	0.2424	147	0.1791	2679	X-RAY DIFFRACTION	100
5.0906-5.8262	0.2895	137	0.2058	2717	X-RAY DIFFRACTION	100
5.8262-7.3361	0.2838	140	0.2247	2728	X-RAY DIFFRACTION	100
7.3361-47.9552	0.2564	156	0.2273	2815	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	1.406	-0.7218	-0.3235	3.2111	0.3743	1.3723	0.0877	-0.0582	0.2188	-0.3264	0.2179	-0.3541	-0.3093	-0.0346	-0.1391	0.4826	0.1317	-0.0618	0.2062	0.0372	0.6845	11.4683	-14.6223	-12.9974
2	1.4947	-1.8318	-0.6329	2.4448	0.9687	0.4613	0.143	-0.1126	0.1701	-0.0859	0.1696	-0.1237	-0.0034	-0.0399	-0.0648	0.2557	0.003	0.0798	0.1916	0.1089	0.4322	25.7964	-23.0965	-4.0509
3	0.9424	-0.568	-0.4244	1.6287	1.0468	1.0527	0.05	-0.2244	0.1403	-0.0729	-0.1469	-0.0623	-0.0651	0.0272	0.0517	0.2025	0.0534	0.0159	-0.0032	0.0434	0.3931	10.3609	-22.621	-1.4304
4	1.1783	0.1675	0.5373	0.4226	-0.7265	2.3191	0.2443	0.161	-0.0227	-0.2161	-0.2334	-0.0182	-0.0346	0.4898	0.094	0.3474	-0.0302	-0.1154	0.0703	0.0815	0.1744	17.8454	-24.8244	-9.5624
5	0.364	0.0496	0.3876	2.7776	-0.8093	1.4913	0.0876	-0.222	-0.012	0.0995	-0.1647	-0.194	0.0026	0.1323	0.0419	0.5944	-0.1724	-0.0393	0.3697	0.2854	0.6714	20.3194	-41.7596	16.3715
6	2.9551	0.437	0.0465	2.1524	-1.2077	3.2162	-0.0388	0.1094	0.6409	0.1227	0.0435	0.0186	-0.3518	-0.1383	0.0325	0.1801	0.0448	-0.1177	0.5568	-0.033	0.4633	22.1862	-22.2484	13.9076
7	1.5	-1.0958	-0.6846	1.5694	0.6265	1.3388	0.0164	-0.1533	-0.0094	0.166	0.1387	-0.3936	0.1788	0.2005	-0.055	0.2227	0.1333	-0.0185	0.1905	0.2127	0.5504	15.7678	-32.2046	9.5932
8	0.0411	-0.1131	0.1051	0.669	-0.3725	0.2848	0.0387	0.0322	-0.0331	-0.2172	0.0131	-0.0418	0.1083	0.0118	0.0156	0.2007	0.126	-0.0342	0.1089	0.2617	0.5501	23.6215	-40.9326	-7.4948
9	1.3353	-0.2295	0.0098	0.4589	0.6516	1.1622	0.1715	-0.2301	-0.0071	0.1164	-0.2447	0.0647	-0.0148	-0.062	0.0401	0.4111	-0.0705	0.0469	0.1281	0.0138	0.3966	14.1265	-20.6956	11.9095
10	0.045	-0.0554	-0.1009	1.09	0.2136	0.1877	0.033	-0.1182	-0.0752	0.263	0.1305	0.1019	0.1233	-0.0978	0.0305	0.2733	0.087	-0.0689	0.2688	0.3223	0.5533	15.1309	-35.8453	14.0022
11	1.4407	0.1495	0.1928	0.0999	0.1794	1.4693	-0.0679	0.2422	-0.5226	-0.4369	0.1894	-0.2176	0.0964	-0.0909	-0.0979	0.4582	-0.0081	0.0895	0.3178	0.0952	0.5937	9.2655	-40.5075	-22.1939
12	0.271	-0.0585	0.5157	2.9012	0.2847	2.9469	0.0082	-0.1663	-0.2006	0.393	-0.0976	0.5332	-0.0506	-0.6238	0.0706	0.3186	-0.0265	0.0641	0.6037	0.1886	0.8557	-10.5281	-37.9025	-11.7638
13	1.406	-1.6262	0.0527	2.4896	0.0559	0.5769	0.17	0.2136	-0.2205	-0.3026	-0.2278	0.1259	0.2712	0.0876	-0.0087	0.2152	0.1311	0.0422	0.1765	0.1561	0.6824	3.1682	-36.2421	-11.5891
14	0.0342	-0.0724	-0.01	0.5104	-0.0975	0.0457	-0.0161	-0.0388	-0.1972	-0.1708	-0.0114	0.0181	0.163	0.0376	-0.0756	0.2656	-0.0617	0.0784	0.0207	0.1259	0.6362	11.6823	-51.5964	-2.6
15	0.2561	-0.0081	-0.0341	0.4988	-0.0845	0.2067	-0.1393	0.0218	0.0203	-0.0493	0.0214	0.1491	0.0701	-0.09	-0.3034	0.3796	-0.0355	0.0594	0.1503	0.2123	0.3075	-0.8842	-33.7235	-14.0244
16	0.3169	0.204	-0.1459	0.9525	-0.2666	0.4885	-0.2341	0.0778	-0.0361	-0.0843	0.162	0.0522	0.0898	-0.1136	-0.0277	0.427	-0.1627	-0.0272	0.1469	0.2318	0.8454	-6.2865	-43.9727	8.4049
17	0.5449	-0.2584	-0.0759	1.2839	-0.0245	0.6211	-0.2198	-0.1588	-0.3095	0.1333	-0.1462	0.1884	0.0893	0.1998	-0.0704	0.2648	-0.167	-0.0085	0.2244	0.2632	0.4781	-1.4955	-38.8858	7.3495
18	0.2261	-0.0168	-0.0339	0.6259	0.1449	0.4609	-0.0569	-0.1049	-0.2956	0.0561	-0.0379	-0.1136	0.0222	0.084	0.0433	0.2376	0.0385	0.0126	0.0808	0.2105	0.6119	-1.8187	-37.5322	3.6412
19	1.2433	0.3466	-1.0529	1.5186	0.864	1.8339	0.0125	0.0902	0.1856	0.1349	-0.1661	0.4958	-0.4154	-0.4502	0.1416	0.3908	0.159	-0.0452	0.4298	-0.264	0.3629	-13.2646	-15.026	-34.8896
20	0.2307	0.09	-0.5474	1.7623	-0.8034	1.5001	-0.1233	0.4041	-0.0528	-0.3389	0.1429	0.1537	-0.1572	-0.0173	-0.0103	0.1275	0.0295	-0.0297	0.3777	-0.0541	0.0903	-27.4861	-23.986	-43.6822
21	1.6666	1.0691	-1.1434	1.2532	-0.7668	1.4199	0.0342	-0.4016	0.1027	0.1171	-0.059	-0.156	-0.0884	-0.3571	-0.0111	0.1688	0.0062	0.0424	0.3738	0.0045	0.2068	-15.4123	-25.4153	-40.8502
22	0.2393	-0.0799	-0.0678	0.2643	0.1314	0.1588	-0.022	-0.166	0.0856	0.1183	0.0422	0.0126	0.0186	0.0107	-0.0567	0.0573	0.1878	0.1313	0.2037	-0.2776	0.062	-14.7248	-23.6656	-44.7338
23	1.0673	1.1517	1.2871	4.2406	-1.4981	5.4005	0.0624	0.4432	-0.0481	-0.3458	0.2151	0.0794	0.0709	-0.0713	-0.2408	0.2163	0.041	0.0333	0.4338	-0.0602	0.2519	-22.0755	-43.4888	-63.5253
24	3.1563	-0.3161	0.4126	1.5713	-2.273	4.5975	-0.0738	-0.0928	0.3095	0.1226	-0.0517	0.3318	-0.2982	-0.1029	0.0495	0.1646	0.0165	-0.0544	0.3538	-0.0693	0.1638	-23.5521	-24.9439	-61.9473
25	0.7374	0.1946	-0.9452	2.3664	-0.964	1.5354	-0.1856	0.3271	-0.3109	0.0185	-0.1694	0.2351	0.0919	-0.2457	0.0133	0.1361	-0.0094	-0.1424	0.2195	0.0129	0.3729	-25.0816	-36.6312	-54.3091
26	1.4828	-0.3353	0.1072	0.4714	0.0865	0.037	0.1225	0.2033	0.2423	-0.0881	-0.0516	-0.2358	-0.0263	-0.0128	0.0134	0.0592	-0.0531	0.0932	0.3166	-0.1391	0.3155	-10.4961	-30.6608	-59.5379
27	1.3135	0.1715	-0.3813	1.9561	-0.8546	1.5866	-0.0211	0.1605	-0.4849	-0.0002	0.1255	-0.0238	0.0685	-0.313	-0.0176	0.1284	-0.0336	0.0242	0.2865	-0.0429	0.2125	-19.6373	-35.6551	-53.4378
28	2.1058	0.3174	-0.5565	0.0758	0.1623	2.3125	-0.2863	-0.3047	-0.7713	0.2677	0.1101	0.365	0.4429	-0.0737	0.1578	0.2733	0.031	0.2139	0.5304	0.1446	0.7462	-11.4588	-40.4688	-24.3489
29	0.0261	0.2498	0.203	3.6414	1.3683	1.9115	0.2519	-0.1627	-0.4356	-0.0828	0.2673	-0.749	0.0559	0.562	-0.174	0.1223	0.0276	-0.0356	0.6374	0.1177	0.5347	7.161	-39.189	-34.7792
30	2.4116	1.6468	0.6137	1.6967	0.356	0.5116	0.0268	-0.6359	-0.5902	0.0899	0.1099	-0.1921	0.1775	0.0265	0.091	0.0486	0.022	0.1044	0.3769	0.0856	0.5394	-7.7456	-41.0048	-38.1901
31	0.7436	0.0206	-0.724	1.8773	0.3061	1.2066	0.214	-0.3565	-0.0322	0.1146	0.0215	-0.2899	-0.0544	0.0149	0.0512	0.2103	0.0229	0.0586	0.2875	0.2706	0.2573	-1.9935	-36.6163	-34.3724
32	4.5557	-1.6747	-1.8692	3.0528	1.1289	1.9986	-0.1144	0.1225	-0.3561	-0.0956	-0.0464	-0.1318	0.0819	-0.0389	0.0219	0.2935	0.2226	0.114	0.3298	-0.0633	0.2597	4.9799	-39.5774	-63.2371
33	1.644	-0.0677	0.2606	0.8863	0.0759	0.2717	-0.1549	-0.4831	-0.3477	0.2093	0.1743	-0.2247	0.1516	-0.0205	0.0538	0.1335	0.1637	0.0703	0.3508	0.0874	0.3065	4.2869	-50.4813	-48.0926
34	1.7162	1.1177	0.3957	0.9117	-0.0314	0.5263	0.0685	0.0524	-0.239	-0.0246	0.089	-0.1921	0.1625	-0.0281	-0.0118	0.1364	-0.0129	0.062	0.0802	-0.0766	0.0914	2.8651	-36.3456	-53.8297
35	2.0376	0.9025	0.1221	1.3574	0.2422	0.8611	-0.1155	0.1022	-0.0406	0.0021	0.0036	-0.0955	0.1042	-0.026	-0.0436	0.0764	0.0222	0.0711	0.3555	0.043	0.5163	-10.1731	-48.8307	-52.7436
36	1.0695	-0.3771	0.1559	0.1806	-0.262	0.7502	0.009	-0.0556	-0.1828	0.0219	0.1338	-0.0389	-0.0388	0.0326	-0.0645	0.1452	0.0464	0.0844	0.2004	-0.1296	0.2846	1.3043	-35.7227	-49.2039
37	0.5615	-0.7166	0.0215	1.0029	0.0244	0.0338	0.0234	0.0322	-0.0627	0.0398	0.0678	0.1371	-0.1315	-0.0814	-0.0528	0.1432	-0.0272	0.1575	0.4406	-0.0755	0.1802	0.0915	-47.4779	-58.0795
38	1.193	-0.5484	0.3232	0.2606	-0.0228	1.8354	0.0953	0.187	-0.4504	0.0057	0.0072	0.3544	0.2872	-0.302	0.1427	0.3427	0.1277	0.0851	0.5194	-0.2763	0.6672	36.317	-40.9384	-60.0368
39	1.9312	-0.5507	-0.1548	0.7997	-0.2369	0.1602	-0.0239	-0.0951	-0.1826	0.1086	-0.0007	-0.161	0.0324	0.1907	-0.1655	0.0711	-0.0876	-0.0122	0.5165	-0.1678	0.2025	22.1345	-32.2445	-51.3513
40	1.8693	-0.9509	1.6348	1.3036	-0.6822	1.4517	-0.0087	-0.1528	-0.3636	0.1616	0.4387	-0.0344	0.0163	-0.1787	-0.0861	0.0751	0.0853	0.0338	0.4389	-0.045	0.2604	36.6807	-35.7364	-51.311
41	2.0535	-0.5665	0.1006	1.6396	-1.6798	1.8534	0.0461	0.5188	0.1196	0.0019	0.1456	0.0968	0.1775	-0.2174	-0.0927	0.1596	-0.0162	0.0124	0.3096	-0.0463	0.0838	29.1503	-21.4618	-59.5434
42	0.6628	-0.208	-0.3984	1.0863	0.5703	1.4781	-0.0971	-0.4801	-0.4144	0.1403	0.19	-0.1209	0.1384	0.1841	-0.0226	0.1584	0.111	0.125	0.2431	0.1036	0.3482	44.2317	-36.5644	-37.7361
43	1.4065	-0.0695	-0.3322	0.4719	0.1788	1.3905	0.1264	0.1239	0.1378	-0.0151	0.0878	0.1384	-0.1515	-0.1556	-0.0257	0.0331	0.0836	0.0629	0.3024	-0.0225	0.2425	21.8236	-25.0093	-53.304
44	0.7714	0.3227	0.595	0.1412	0.3131	1.2208	0.0466	0.2702	-0.2548	-0.071	-0.0208	0.0659	0.1232	0.3182	-0.3471	0.1458	-0.0391	-0.0574	0.3065	-0.1989	0.3204	33.6273	-33.0966	-58.6386
45	1.4781	0.1892	-1.9878	2.5314	-0.3189	3.5531	0.1073	-0.4436	0.2183	0.1571	-0.0165	0.0319	-0.1172	0.0991	-0.1118	0.4756	0.1044	-0.0822	0.8131	-0.3432	0.4674	27.5526	-12.8698	-31.2323
46	1.9916	0.3735	-1.3689	2.0507	0.7651	4.1277	-0.1483	-0.179	-0.2478	0.1735	-0.0936	0.0294	0.4544	-0.0879	0.2056	0.2796	-0.0935	0.0525	0.4127	0.0568	0.1035	25.9704	-31.2143	-33.0921
47	1.4426	-0.859	0.2136	5.7087	-2.5607	2.3418	0.0414	-0.3564	-0.0294	0.214	-0.0603	0.5148	0.0662	-0.1303	0.0107	0.2186	-0.1255	0.0593	0.2843	-0.1572	0.269	24.5235	-19.7851	-40.6563
48	1.3402	-0.2162	0.2274	1.1218	0.2792	0.4918	-0.1332	-0.3579	-0.2617	0.4288	-0.0345	-0.0751	0.2379	0.0453	-0.0868	0.2775	-0.0676	-0.0162	0.3554	0.1399	0.0061	39.0469	-25.9002	-35.3967
49	0.564	0.3984	-0.3464	1.4119	-0.8831	1.0229	-0.0908	0.1258	0.0771	-0.126	0.0554	0.0602	0.058	-0.0631	-0.0136	0.2024	-0.1349	-0.0571	0.1897	0.2155	0.2692	26.128	-13.5672	-56.6782
50	0.6113	0.1578	-0.2108	0.3031	0.2591	0.5907	-0.0668	-0.2129	0.023	0.09	0.0074	0.139	0.217	-0.2124	-0.0043	0.0962	-0.0205	0.0703	0.4854	0.0548	0.1511	30.1867	-23.7745	-41.069
51	0.99	-0.1005	-0.2394	0.8744	-0.8543	1.3951	-0.2009	-0.7217	-0.1586	0.1736	0.1736	0.0312	0.2186	0.0108	0.0283	0.2043	0.16	0.015	0.5997	-0.0427	0.231	31.6034	-18.7303	-33.0139
52	1.0179	0.0137	0.2383	0.7518	1.278	2.2177	0.0299	0.5499	0.6989	-0.5883	0.2808	0.4808	-0.8093	0.084	-0.2162	0.3205	-0.0503	0.046	0.3282	0.0932	0.4954	38.3644	-15.0396	-70.0702
53	3.0953	1.4046	-0.5711	3.4284	0.5399	3.8211	0.0623	-0.2019	-0.0826	0.3582	-0.1109	-0.4975	0.0877	0.5267	0.1112	0.3917	0.0811	0.1391	0.4773	0.192	0.4647	58.9215	-16.7467	-61.0633
54	0.3907	-0.0806	0.8683	1.8727	-0.4019	1.9556	-0.0171	0.0881	0.0406	0.054	0.2103	-0.2997	0.1903	0.3989	-0.0987	0.1431	-0.0286	0.0337	0.5103	-0.1091	0.1453	57.2787	-18.2008	-58.0376
55	3.1641	-1.078	0.2246	1.6651	0.9815	2.218	0.0325	0.3741	0.7113	-0.1641	0.0183	-0.3765	-0.223	0.076	-0.0619	0.13	0.0036	-0.0598	0.4998	0.246	0.6171	39.0258	-6.3303	-61.43
56	1.394	0.5734	-0.0638	1.6017	-0.3446	0.3588	-0.0102	0.4397	-0.1472	-0.1789	-0.1295	0.0185	0.0951	0.2424	0.0451	0.0407	-0.0142	-0.0212	0.5014	-0.0824	0.1548	47.9336	-26.882	-57.9709
57	0.0993	-0.2669	0.0498	0.9761	0.0588	0.1497	-0.0972	-0.1121	0.2832	-0.0525	-0.0669	0.0871	-0.1333	-0.2172	0.1325	0.1479	-0.0014	-0.0591	0.1982	-0.1869	0.4671	36.0099	-3.6393	-50.4236
58	0.8032	-0.1164	-0.6836	0.5748	0.1875	0.7967	-0.0189	0.227	0.1004	-0.1451	0.1844	0.0358	0.0539	-0.0581	0.029	0.143	-0.0516	0.0359	0.5792	0.0029	0.066	48.493	-21.6124	-61.6416
59	1.1058	-0.1251	-0.6323	0.8935	0.3968	2.2485	-0.015	-0.1755	0.0329	0.0772	-0.052	-0.0232	-0.0009	0.3322	-0.0694	0.2234	0.1148	0.1136	0.9723	-0.1572	0.2354	54.6533	-16.8744	-31.5676
60	2.2941	0.6228	0.5895	1.9174	0.3084	1.7466	-0.3164	0.1716	0.4348	-0.4569	0.2714	-0.0845	-0.287	0.177	0.0269	0.2507	-0.1139	-0.0049	0.2365	-0.1778	0.4774	55.0566	-6.1733	-44.8088
61	1.1799	-1.3023	0.4112	2.8186	0.0854	0.5246	0.0269	0.3433	0.2838	-0.2418	-0.1133	-0.0471	-0.1117	0.0324	0.0997	0.2346	-0.0306	-0.0682	0.4963	0.2013	0.1859	52.5621	-5.6771	-48.2048
62	0.5867	-0.31	-0.1009	0.616	0.2017	0.4939	-0.1146	-0.1386	0.2506	0.1043	-0.0238	0.0576	-0.0555	0.097	-0.1253	0.198	0.0057	-0.0438	0.3156	-0.1828	0.2616	47.9139	-15.7298	-41.5048
63	0.5407	0.1828	-0.1907	0.321	-0.1895	0.9329	0.091	0.038	0.0543	-0.0701	-0.069	0.0033	-0.0765	0.1766	-0.0326	0.2026	0.0794	-0.0132	0.3067	-0.0561	0.1242	50.8482	-20.6237	-45.7228
64	0.633	0.2966	0.2274	0.6767	0.4502	0.8417	-0.0429	0.0547	0.0934	-0.1292	-0.1317	0.1064	-0.1368	-0.0837	-0.1093	0.1003	0.1646	-0.0347	0.3697	-0.077	0.0549	49.6379	-8.7981	-36.6535
65	0.9046	-0.8992	-0.206	1.1494	0.8733	1.7861	0.0017	0.083	-0.2677	-0.112	-0.1375	0.2648	0.3694	-0.1702	0.2816	0.7149	0.006	0.1682	0.4606	-0.3447	0.6233	34.1746	-93.2076	-13.5683
66	1.221	-1.059	0.9939	0.9525	-1.0211	1.5719	0.127	-0.1003	-0.3724	0.1941	0.26	0.4631	0.0117	-0.2542	-0.2474	0.3027	-0.0776	0.0747	0.1414	-0.0055	0.4111	19.952	-84.9347	-4.1585
67	0.9939	-0.4377	1.127	1.0602	-0.6667	1.8189	0.0591	0.1164	-0.1231	-0.2535	-0.0478	0.1334	0.3196	-0.23	-0.1248	0.2697	-0.0862	-0.0416	0.5113	-0.3976	0.3834	32.3864	-85.0694	-7.2854
68	0.3329	0.0296	0.2097	0.5675	-0.4881	0.8978	-0.1583	0.0643	-0.118	0.0159	-0.1169	-0.0342	-0.2426	0.0194	-0.0312	0.1643	-0.0752	-0.0279	0.1775	-0.1567	0.5053	38.7077	-86.2207	5.0951
69	1.5018	0.6134	0.2187	1.3828	0.8356	3.1713	0.0323	0.0131	0.1357	-0.2094	0.039	0.7785	-0.3875	-0.391	-0.1034	0.3259	0.0088	-0.0263	0.11	-0.0096	0.6303	19.8256	-77.4284	-5.9331
70	1.086	-0.1913	-0.1132	0.3358	-0.0804	0.0787	0.0661	0.1847	0.1491	-0.0664	-0.0936	0.143	-0.0301	-0.2066	-0.002	0.3432	0.0756	0.062	0.2084	-0.1149	0.37	35.3621	-85.6648	-9.7822
71	2.6015	1.2841	1.4001	0.7127	0.5109	1.191	0.0894	0.0892	0.1611	-0.0494	-0.01	-0.1774	0.0703	0.0204	-0.07	0.3453	-0.0107	-0.004	0.234	-0.1079	0.365	27.013	-85.2107	-13.5771
72	1.9202	0.3208	-1.3196	1.6699	-0.27	1.511	0.0809	-0.4369	-0.201	0.1873	-0.0565	-0.0029	0.2189	-0.0144	-0.0281	0.3335	0.0612	0.0402	0.5734	-0.2073	0.4802	25.5424	-66.8947	17.114
73	5.891	1.391	0.3745	0.3637	-0.2866	3.9428	-0.0257	0.0099	-0.4075	-0.5505	0.0341	0.5685	0.5277	-0.1981	-0.0431	0.3428	-0.1374	0.0467	0.2181	-0.1266	0.4209	23.7142	-85.0547	13.8801
74	2.1039	-0.5693	0.0114	4.7583	-0.5277	1.9203	-0.0171	-0.1248	-0.3012	-0.1533	-0.0124	-0.0425	0.114	0.0657	0.0388	0.3858	0.2018	-0.0805	0.2449	0.0644	0.4388	25.7305	-84.8905	10.7911
75	2.2358	-0.0243	-1.7053	2.3776	-0.0123	3.7488	-0.131	-0.042	-0.1012	0.1137	-0.1252	-0.0128	0.0278	-0.0184	0.1991	0.4147	0.0301	0.0197	0.1592	-0.0589	0.5769	20.3761	-65.6355	4.9896
76	2.5969	-0.5587	0.4332	2.2468	0.238	1.9962	0.059	-0.1279	0.1631	0.1645	0.2769	-0.1839	0.0452	0.3068	-0.2124	0.2071	-0.0427	0.0184	0.1772	-0.103	0.1867	36.8138	-79.7212	12.1164
77	0.4062	-0.1021	-0.1796	1.4284	-0.2349	0.1332	0.1276	0.1111	0.056	-0.3087	-0.0963	0.1265	-0.1038	-0.1919	0.0797	0.2666	0.0786	0.0342	0.3355	-0.2726	0.2689	22.2187	-66.9889	-6.9975
78	0.9057	0.26	0.5296	0.6176	0.2922	4.1511	0.1682	-0.2289	0.0091	0.1703	-0.0482	-0.1038	0.5312	0.2913	-0.3582	0.3496	-0.1502	0.0595	0.5567	-0.312	0.3013	31.4042	-87.9759	11.5173
79	0.0088	0.0953	-0.0207	1.0311	-0.3348	1.3177	0.0325	0.0515	0.0364	0.3288	0.031	0.0947	0.0409	-0.0632	0.0284	0.3201	0.0755	0.1017	0.3636	-0.307	0.2582	30.5328	-73.0704	14.2365
80	0.9579	-0.2864	0.1915	0.107	0.0902	1.0113	-0.0764	0.2476	0.2948	-0.5442	0.1579	0.33	-0.3101	-0.1941	-0.0589	0.6349	-0.2001	-0.0871	0.9802	-0.2302	0.6594	36.7776	-66.7138	-21.7805
81	0.2236	0.516	-0.5916	3.4201	-0.14	2.2437	-0.0862	0.0273	0.608	0.1244	-0.2463	-0.4767	-0.3541	0.5245	0.2837	0.2778	-0.1383	0.0028	0.4066	0.0224	0.5769	56.2426	-70.0288	-11.2326
82	1.9042	-1.0648	1.137	1.4036	-0.6655	0.6797	0.0607	0.7606	0.6056	-0.5685	-0.0094	-0.5084	-0.474	0.5546	-0.0606	0.4214	-0.1511	0.1533	0.6547	0.0295	0.7042	37.3062	-58.7056	-12.5346
83	2.8811	-1.4391	0.0808	1.4079	-0.0447	0.0194	0.017	0.1868	-0.3184	-0.1767	0.0666	-0.1194	0.0375	0.1065	0.0003	0.2796	-0.1289	0.0736	0.1235	-0.1673	0.5516	44.4282	-75.7353	-10.9014
84	2.4124	0.4058	1.6649	7.1169	1.0153	1.6698	0.026	0.5813	-0.1423	-0.4172	0.0415	-0.7255	0.1348	0.3424	-0.1178	0.4007	-0.0829	0.0303	0.1593	-0.0169	0.128	47.1085	-82.8392	-9.8822
85	0.64	-0.3009	0.0573	0.6524	0.1668	0.645	-0.0153	0.3001	0.0404	-0.049	-0.0532	0.216	0.1434	0.1268	-0.0955	0.3739	0.008	-0.0084	0.2312	-0.3428	0.6465	42.292	-67.943	-9.4953
86	0.2234	-0.1381	0.0955	0.2592	-0.1337	0.071	0.0391	-0.1763	0.2126	0.2267	-0.0011	-0.2098	-0.2246	0.3344	0.003	0.5699	-0.3567	-0.0235	0.6696	-0.3037	0.5281	52.4737	-71.2518	16.5365
87	3.5763	-0.8725	0.2842	1.0227	0.8975	1.1785	-0.1125	0.1934	0.5438	-0.0303	-0.1015	-0.5615	-0.4232	0.2012	0.2223	0.3045	-0.0792	0.1095	0.2334	-0.1363	0.4361	51.8416	-59.2589	2.1116
88	3.5455	-1.186	-1.3008	2.8548	-2.664	4.46	-0.1452	-0.0845	-0.1809	0.1226	-0.1456	-0.032	-0.0937	0.2232	0.2088	0.4533	0.1016	-0.062	0.2475	-0.0706	0.2377	56.2703	-79.7388	7.2197
89	0.8087	-0.1232	-0.2154	0.5652	0.3514	1.1523	-0.1364	-0.0072	-0.0665	0.0311	-0.0408	0.1016	-0.111	0.1525	-0.1296	0.2466	-0.0703	0.012	0.2949	-0.2654	0.3425	45.6001	-72.8252	2.6547
90	0.1912	0.0762	-0.1166	1.2057	-0.1408	0.6085	0.0922	-0.0513	0.2913	0.095	0.0491	0.1246	-0.2494	0.2221	-0.1839	0.2445	-0.1254	0.1484	0.256	-0.1702	0.4746	45.5351	-65.2932	6.2621
91	0.3697	0.4231	0.2549	1.2624	0.6623	0.3512	-0.0626	-0.0005	0.2517	0.2454	0.0356	-0.1194	-0.2374	0.1324	0.0466	0.3896	-0.2044	0.012	0.3197	-0.2279	0.4529	47.6579	-62.0455	11.8034

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 2 THROUGH 15 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 16 THROUGH 34 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 35 THROUGH 90 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 91 THROUGH 124 )
5	X-RAY DIFFRACTION	5	CHAIN B AND (RESID 2 THROUGH 16 )
6	X-RAY DIFFRACTION	6	CHAIN B AND (RESID 17 THROUGH 24 )
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESID 25 THROUGH 70 )
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESID 71 THROUGH 90 )
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESID 91 THROUGH 101 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 102 THROUGH 124 )
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESID 2 THROUGH 16 )
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 17 THROUGH 33 )
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 34 THROUGH 70 )
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 71 THROUGH 90 )
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 91 THROUGH 124 )
16	X-RAY DIFFRACTION	16	CHAIN D AND (RESID 2 THROUGH 34 )
17	X-RAY DIFFRACTION	17	CHAIN D AND (RESID 35 THROUGH 63 )
18	X-RAY DIFFRACTION	18	CHAIN D AND (RESID 64 THROUGH 124 )
19	X-RAY DIFFRACTION	19	CHAIN E AND (RESID 2 THROUGH 15 )
20	X-RAY DIFFRACTION	20	CHAIN E AND (RESID 16 THROUGH 34 )
21	X-RAY DIFFRACTION	21	CHAIN E AND (RESID 35 THROUGH 70 )
22	X-RAY DIFFRACTION	22	CHAIN E AND (RESID 71 THROUGH 124 )
23	X-RAY DIFFRACTION	23	CHAIN F AND (RESID 2 THROUGH 15 )
24	X-RAY DIFFRACTION	24	CHAIN F AND (RESID 16 THROUGH 24 )
25	X-RAY DIFFRACTION	25	CHAIN F AND (RESID 25 THROUGH 47 )
26	X-RAY DIFFRACTION	26	CHAIN F AND (RESID 48 THROUGH 70 )
27	X-RAY DIFFRACTION	27	CHAIN F AND (RESID 71 THROUGH 124 )
28	X-RAY DIFFRACTION	28	CHAIN G AND (RESID 2 THROUGH 15 )
29	X-RAY DIFFRACTION	29	CHAIN G AND (RESID 16 THROUGH 34 )
30	X-RAY DIFFRACTION	30	CHAIN G AND (RESID 35 THROUGH 85 )
31	X-RAY DIFFRACTION	31	CHAIN G AND (RESID 86 THROUGH 124 )
32	X-RAY DIFFRACTION	32	CHAIN H AND (RESID 2 THROUGH 15 )
33	X-RAY DIFFRACTION	33	CHAIN H AND (RESID 16 THROUGH 34 )
34	X-RAY DIFFRACTION	34	CHAIN H AND (RESID 35 THROUGH 57 )
35	X-RAY DIFFRACTION	35	CHAIN H AND (RESID 58 THROUGH 70 )
36	X-RAY DIFFRACTION	36	CHAIN H AND (RESID 71 THROUGH 113 )
37	X-RAY DIFFRACTION	37	CHAIN H AND (RESID 114 THROUGH 124 )
38	X-RAY DIFFRACTION	38	CHAIN I AND (RESID 2 THROUGH 15 )
39	X-RAY DIFFRACTION	39	CHAIN I AND (RESID 16 THROUGH 34 )
40	X-RAY DIFFRACTION	40	CHAIN I AND (RESID 35 THROUGH 57 )
41	X-RAY DIFFRACTION	41	CHAIN I AND (RESID 58 THROUGH 70 )
42	X-RAY DIFFRACTION	42	CHAIN I AND (RESID 71 THROUGH 90 )
43	X-RAY DIFFRACTION	43	CHAIN I AND (RESID 91 THROUGH 101 )
44	X-RAY DIFFRACTION	44	CHAIN I AND (RESID 102 THROUGH 124 )
45	X-RAY DIFFRACTION	45	CHAIN J AND (RESID 2 THROUGH 15 )
46	X-RAY DIFFRACTION	46	CHAIN J AND (RESID 16 THROUGH 24 )
47	X-RAY DIFFRACTION	47	CHAIN J AND (RESID 25 THROUGH 47 )
48	X-RAY DIFFRACTION	48	CHAIN J AND (RESID 48 THROUGH 70 )
49	X-RAY DIFFRACTION	49	CHAIN J AND (RESID 71 THROUGH 80 )
50	X-RAY DIFFRACTION	50	CHAIN J AND (RESID 81 THROUGH 110 )
51	X-RAY DIFFRACTION	51	CHAIN J AND (RESID 111 THROUGH 124 )
52	X-RAY DIFFRACTION	52	CHAIN K AND (RESID 2 THROUGH 16 )
53	X-RAY DIFFRACTION	53	CHAIN K AND (RESID 17 THROUGH 24 )
54	X-RAY DIFFRACTION	54	CHAIN K AND (RESID 25 THROUGH 33 )
55	X-RAY DIFFRACTION	55	CHAIN K AND (RESID 34 THROUGH 47 )
56	X-RAY DIFFRACTION	56	CHAIN K AND (RESID 48 THROUGH 70 )
57	X-RAY DIFFRACTION	57	CHAIN K AND (RESID 71 THROUGH 90 )
58	X-RAY DIFFRACTION	58	CHAIN K AND (RESID 91 THROUGH 124 )
59	X-RAY DIFFRACTION	59	CHAIN L AND (RESID 2 THROUGH 15 )
60	X-RAY DIFFRACTION	60	CHAIN L AND (RESID 16 THROUGH 23 )
61	X-RAY DIFFRACTION	61	CHAIN L AND (RESID 24 THROUGH 34 )
62	X-RAY DIFFRACTION	62	CHAIN L AND (RESID 35 THROUGH 70 )
63	X-RAY DIFFRACTION	63	CHAIN L AND (RESID 71 THROUGH 113 )
64	X-RAY DIFFRACTION	64	CHAIN L AND (RESID 114 THROUGH 124 )
65	X-RAY DIFFRACTION	65	CHAIN M AND (RESID 2 THROUGH 15 )
66	X-RAY DIFFRACTION	66	CHAIN M AND (RESID 16 THROUGH 34 )
67	X-RAY DIFFRACTION	67	CHAIN M AND (RESID 35 THROUGH 63 )
68	X-RAY DIFFRACTION	68	CHAIN M AND (RESID 64 THROUGH 90 )
69	X-RAY DIFFRACTION	69	CHAIN M AND (RESID 91 THROUGH 101 )
70	X-RAY DIFFRACTION	70	CHAIN M AND (RESID 102 THROUGH 113 )
71	X-RAY DIFFRACTION	71	CHAIN M AND (RESID 114 THROUGH 124 )
72	X-RAY DIFFRACTION	72	CHAIN N AND (RESID 2 THROUGH 15 )
73	X-RAY DIFFRACTION	73	CHAIN N AND (RESID 16 THROUGH 24 )
74	X-RAY DIFFRACTION	74	CHAIN N AND (RESID 25 THROUGH 34 )
75	X-RAY DIFFRACTION	75	CHAIN N AND (RESID 35 THROUGH 47 )
76	X-RAY DIFFRACTION	76	CHAIN N AND (RESID 48 THROUGH 70 )
77	X-RAY DIFFRACTION	77	CHAIN N AND (RESID 71 THROUGH 90 )
78	X-RAY DIFFRACTION	78	CHAIN N AND (RESID 91 THROUGH 101 )
79	X-RAY DIFFRACTION	79	CHAIN N AND (RESID 102 THROUGH 124 )
80	X-RAY DIFFRACTION	80	CHAIN O AND (RESID 2 THROUGH 16 )
81	X-RAY DIFFRACTION	81	CHAIN O AND (RESID 17 THROUGH 33 )
82	X-RAY DIFFRACTION	82	CHAIN O AND (RESID 34 THROUGH 47 )
83	X-RAY DIFFRACTION	83	CHAIN O AND (RESID 48 THROUGH 57 )
84	X-RAY DIFFRACTION	84	CHAIN O AND (RESID 58 THROUGH 70 )
85	X-RAY DIFFRACTION	85	CHAIN O AND (RESID 71 THROUGH 124 )
86	X-RAY DIFFRACTION	86	CHAIN P AND (RESID 2 THROUGH 15 )
87	X-RAY DIFFRACTION	87	CHAIN P AND (RESID 16 THROUGH 34 )
88	X-RAY DIFFRACTION	88	CHAIN P AND (RESID 35 THROUGH 47 )
89	X-RAY DIFFRACTION	89	CHAIN P AND (RESID 48 THROUGH 90 )
90	X-RAY DIFFRACTION	90	CHAIN P AND (RESID 91 THROUGH 114 )
91	X-RAY DIFFRACTION	91	CHAIN P AND (RESID 115 THROUGH 124 )

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