PDB-4gam: Complex structure of Methane monooxygenase hydroxylase and regula...

ID or keywords:

Entry

Database: PDB / ID: 4gam

Title

Complex structure of Methane monooxygenase hydroxylase and regulatory subunit

Components

(Methane monooxygenase component A ...) x 3
Methane monooxygenase regulatory protein B

Keywords

OXIDOREDUCTASE / Methane Monooxygenase / hydroxylase / regulatory subunit B

Function / homology

Function and homology information

methane metabolic process / methane monooxygenase (soluble) / : / : / : / monooxygenase activity / one-carbon metabolic process / metal ion binding
Similarity search - Function

Biological species

Methylococcus capsulatus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.902 Å

Authors

Lee, S.J. / Lippard, S.J. / Cho, U.-S.

Citation

Journal: Nature / Year: 2013
Title: Control of substrate access to the active site in methane monooxygenase.
Authors: Lee, S.J. / McCormick, M.S. / Lippard, S.J. / Cho, U.S.

History

Deposition	Jul 25, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 6, 2013	Provider: repository / Type: Initial release
Revision 1.1	Mar 6, 2013	Group: Database references
Revision 1.2	Sep 13, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_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.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_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_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_seq_id / _struct_conn.ptnr2_label_asym_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	4gam.cif.gz	1.9 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	4gam_validation.pdf.gz	556.7 KB	Display	wwPDB validaton report
Full document	4gam_full_validation.pdf.gz	646.7 KB	Display
Data in XML	4gam_validation.xml.gz	158.3 KB	Display
Data in CIF	4gam_validation.cif.gz	215.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ga/4gam ftp://data.pdbj.org/pub/pdb/validation_reports/ga/4gam	HTTPS FTP

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Related structure data

Related structure data	1ckvS 1mmoS S: Starting model for refinement
Similar structure data	6vk4-d 6yd0-1 6yy3-1 6vk8-d 6ydu-1 6vk5-d 6ydi-1 3jb6-d 6vhh-d 6ty8-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#238 - Oct 2019 Ribonucleotide Reductase similarity (1)

Deposited unit

B: Methane monooxygenase component A beta chain

A: Methane monooxygenase component A alpha chain

C: Methane monooxygenase component A gamma chain

D: Methane monooxygenase regulatory protein B

G: Methane monooxygenase component A beta chain

F: Methane monooxygenase component A alpha chain

H: Methane monooxygenase component A gamma chain

I: Methane monooxygenase regulatory protein B

L: Methane monooxygenase component A beta chain

K: Methane monooxygenase component A alpha chain

M: Methane monooxygenase component A gamma chain

N: Methane monooxygenase regulatory protein B

Q: Methane monooxygenase component A beta chain

P: Methane monooxygenase component A alpha chain

R: Methane monooxygenase component A gamma chain

S: Methane monooxygenase regulatory protein B

hetero molecules

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

1

B: Methane monooxygenase component A beta chain

A: Methane monooxygenase component A alpha chain

C: Methane monooxygenase component A gamma chain

D: Methane monooxygenase regulatory protein B

G: Methane monooxygenase component A beta chain

F: Methane monooxygenase component A alpha chain

H: Methane monooxygenase component A gamma chain

I: Methane monooxygenase regulatory protein B

hetero molecules

defined by author&software
284 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

L: Methane monooxygenase component A beta chain

K: Methane monooxygenase component A alpha chain

M: Methane monooxygenase component A gamma chain

N: Methane monooxygenase regulatory protein B

Q: Methane monooxygenase component A beta chain

P: Methane monooxygenase component A alpha chain

R: Methane monooxygenase component A gamma chain

S: Methane monooxygenase regulatory protein B

hetero molecules

defined by author&software
284 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	183.590, 248.970, 122.290
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Methane monooxygenase component A ... , 3 types, 12 molecules BGLQAFKPCHMR

#1: Protein	Methane monooxygenase component A beta chain / Methane hydroxylase Mass: 45184.660 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: MMOH : Purified from the original bacteria / Source: (natural) Methylococcus capsulatus (bacteria) / Strain: Methylococcus capsulatus References: UniProt: P18798, methane monooxygenase (soluble)
#2: Protein	Methane monooxygenase component A alpha chain / Methane hydroxylase Mass: 60717.145 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: MMOH : Purified from the original bacteria / Source: (natural) Methylococcus capsulatus (bacteria) / Strain: Methylococcus capsulatus References: UniProt: P22869, methane monooxygenase (soluble)
#3: Protein	Methane monooxygenase component A gamma chain / Methane hydroxylase Mass: 19879.732 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: MMOH : Purified from the original bacteria / Source: (natural) Methylococcus capsulatus (bacteria) / Strain: Methylococcus capsulatus References: UniProt: P11987, methane monooxygenase (soluble)

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Protein , 1 types, 4 molecules DINS

#4: Protein	Methane monooxygenase regulatory protein B Mass: 15999.864 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methylococcus capsulatus (bacteria) / Strain: ATCC 33009 / NCIMB 11132 / Bath / Gene: mmoB, MCA1196 / Plasmid: pkk223-3 / Production host: Escherichia coli (E. coli) / Strain (production host): JM105 / References: UniProt: P18797

#4: Protein

Methane monooxygenase regulatory protein B

Mass: 15999.864 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Methylococcus capsulatus (bacteria) / Strain: ATCC 33009 / NCIMB 11132 / Bath / Gene: mmoB, MCA1196 / Plasmid: pkk223-3 / Production host:

Escherichia coli (E. coli) / Strain (production host): JM105 / References: UniProt: P18797

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Non-polymers , 2 types, 53 molecules

#5: Chemical	ChemComp-FE / FE (III) ION Mass: 55.845 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Fe
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 45 / 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: 2.46 Å³/Da / Density % sol: 50.08 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.1 M MES and 15% PEG 20,000 (w/v) ure 298K, pH 6.5, VAPOR DIFFUSION, SITTING DROP

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Data collection

Diffraction	Mean temperature: 93 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 21, 2011
Radiation	Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.9→50 Å / Num. all: 457504 / Num. obs: 118133 / % possible obs: 95.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.9 % / B_iso Wilson estimate: 50.8 Å² / R_sym value: 0.185 / Net I/σ(I): 5.8
Reflection shell	Resolution: 2.9→2.98 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 2.1 / R_sym value: 0.537 / % possible all: 93.5

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.7.3_928)	refinement
XDS		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1MMO, 1CKV

1mmo

1ckv

Resolution: 2.902→50 Å / SU ML: 0.38 / σ(F): 1.34 / Phase error: 25.59 / Stereochemistry target values: MLHL

	R_factor	Num. reflection	% reflection
R_free	0.2584	5918	5.01 %
R_work	0.2055	-	-
obs	0.2082	118084	95.03 %
all	-	118133	-

Solvent computation

Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 14.342 Å² / k_sol: 0.298 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-12.1402 Å²	0 Å²	-0 Å²
2-	-	9.0761 Å²	-0 Å²
3-	-	-	-19.2864 Å²

Refinement step

Cycle: LAST / Resolution: 2.902→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	39092	0	8	45	39145

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	40174
X-RAY DIFFRACTION	f_angle_d	0.862	54535
X-RAY DIFFRACTION	f_dihedral_angle_d	15.622	14504
X-RAY DIFFRACTION	f_chiral_restr	0.06	5612
X-RAY DIFFRACTION	f_plane_restr	0.004	7080

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 (%)
2.9024-2.9354	0.3606	188	0.305	3418	X-RAY DIFFRACTION	88
2.9354-2.9699	0.331	197	0.2907	3781	X-RAY DIFFRACTION	97
2.9699-3.0061	0.347	207	0.2813	3754	X-RAY DIFFRACTION	97
3.0061-3.0442	0.3503	220	0.2785	3772	X-RAY DIFFRACTION	97
3.0442-3.0843	0.3337	179	0.2706	3780	X-RAY DIFFRACTION	97
3.0843-3.1265	0.3495	191	0.2675	3802	X-RAY DIFFRACTION	97
3.1265-3.1712	0.3192	179	0.2622	3759	X-RAY DIFFRACTION	97
3.1712-3.2185	0.3607	196	0.2509	3823	X-RAY DIFFRACTION	97
3.2185-3.2688	0.2842	223	0.2428	3718	X-RAY DIFFRACTION	97
3.2688-3.3224	0.3439	209	0.2385	3758	X-RAY DIFFRACTION	97
3.3224-3.3797	0.2975	216	0.2306	3755	X-RAY DIFFRACTION	97
3.3797-3.4412	0.2848	202	0.2227	3759	X-RAY DIFFRACTION	96
3.4412-3.5074	0.2898	196	0.2132	3777	X-RAY DIFFRACTION	96
3.5074-3.579	0.2339	191	0.2008	3741	X-RAY DIFFRACTION	96
3.579-3.6568	0.26	217	0.1995	3726	X-RAY DIFFRACTION	95
3.6568-3.7419	0.2569	205	0.1985	3758	X-RAY DIFFRACTION	96
3.7419-3.8354	0.2367	200	0.1928	3754	X-RAY DIFFRACTION	96
3.8354-3.9391	0.2121	196	0.179	3730	X-RAY DIFFRACTION	96
3.9391-4.0551	0.25	203	0.1806	3736	X-RAY DIFFRACTION	95
4.0551-4.186	0.219	189	0.1659	3748	X-RAY DIFFRACTION	95
4.186-4.3356	0.2203	188	0.1682	3729	X-RAY DIFFRACTION	95
4.3356-4.5092	0.2111	184	0.1695	3757	X-RAY DIFFRACTION	95
4.5092-4.7144	0.215	213	0.1685	3720	X-RAY DIFFRACTION	95
4.7144-4.963	0.23	191	0.1715	3735	X-RAY DIFFRACTION	95
4.963-5.2739	0.2281	198	0.1834	3744	X-RAY DIFFRACTION	94
5.2739-5.6812	0.2437	186	0.1946	3706	X-RAY DIFFRACTION	93
5.6812-6.2529	0.244	208	0.2031	3718	X-RAY DIFFRACTION	93
6.2529-7.1577	0.2257	189	0.2002	3716	X-RAY DIFFRACTION	93
7.1577-9.0178	0.1839	169	0.164	3736	X-RAY DIFFRACTION	92
9.0178-147.9527	0.2146	188	0.1992	3756	X-RAY DIFFRACTION	89

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	1.2786	0.2091	0.5367	1.3613	0.7323	1.6524	-0.21	0.1042	0.0996	-0.1426	0.083	0.0146	-0.1689	-0.0966	0.0749	0.0855	0.0264	0.0367	0.2225	0.0497	0.2102	-3.5618	-53.6981	-24.797
2	0.6477	0.0693	0.22	0.2518	-0.4209	1.077	0.0486	0.0499	0.074	0.0385	-0.0393	-0.1061	0.0913	0.0873	-0.0073	0.1354	0.0158	-0.0058	0.1136	-0.0158	0.1618	25.2051	-59.8879	-8.4229
3	1.1765	-0.1902	0.0131	0.5917	0.3512	0.9985	-0.0217	0.093	0.0974	0.0767	-0.084	-0.0234	0.0062	0.0926	0.0921	0.1451	-0.0176	-0.0049	0.1131	0.0089	0.1873	29.0401	-51.3509	-3.8518
4	2.4878	-0.2305	-1.1186	0.3033	0.3812	1.1655	0.0476	-0.1765	0.3271	0.09	0.0519	0.0009	-0.0009	0.1927	-0.0863	0.1891	-0.031	-0.0172	0.2045	0.0031	0.2005	36.1449	-44.8112	3.848
5	1.954	-0.1603	-0.8896	0.4375	0.1347	1.1955	-0.129	0.1742	-0.3971	-0.0359	-0.0989	-0.0962	0.1714	0.0664	0.1955	0.2187	0.0054	-0.038	0.3652	-0.0516	0.3405	25.2457	-72.9805	-6.0085
6	0.5168	-0.3087	-0.244	-0.2888	0.6289	0.4109	0.1222	-0.0169	-0.005	-0.1173	0.0113	-0.0684	0.2274	-0.1001	-0.0813	0.1553	0.0077	-0.0144	0.1942	0.0374	0.227	5.8334	-61.6727	-19.6834
7	0.2372	0.4769	-0.3584	0.4713	-0.0247	0.7716	-0.0614	0.0964	-0.094	0.07	0.0288	0.0072	0.1613	-0.0524	0.0177	0.2063	-0.0036	0.0289	0.2357	-0.0051	0.2181	-4.9489	-72.1814	-11.8708
8	0.2454	0.2002	-0.4162	0.5575	-0.1476	0.5684	0.0251	0.0492	-0.0148	-0.0206	-0.0102	0.1219	-0.0484	-0.2009	-0.0147	0.1584	0.0316	-0.0228	0.5201	-0.006	0.2101	-22.7456	-59.6004	-8.8987
9	0.4641	0.1296	-0.8479	0.0726	-0.0451	2.4243	-0.0221	0.0889	0.0363	0.09	-0.1455	0.3613	-0.0948	-0.3772	0.1218	0.217	0.4296	0.2052	0.4473	0.127	0.5096	-14.0227	-40.8497	1.3661
10	0.0804	-0.2704	-0.0688	1.1602	0.8049	2.3193	0.071	0.2945	0.5121	0.1816	0.0234	0.0646	-0.383	-0.2752	-0.0444	0.2012	0.2031	0.1064	0.5477	0.0835	0.4092	-6.5391	-36.3772	13.4857
11	2.3678	1.6018	0.0297	1.3551	-0.2524	0.2093	-0.1603	-0.2434	0.1396	-0.2221	0.0825	0.0397	-0.0953	-0.2437	0.0458	0.1734	0.0427	-0.0126	0.3044	0.0379	0.2755	-6.797	-49.2703	17.6119
12	2.9751	1.2873	1.5906	0.4888	0.6835	0.8553	-0.0195	-0.1483	0.0991	0.4027	-0.0936	0.0375	-0.183	0.2632	0.032	0.1383	-0.037	0.0189	0.3473	-0.0832	0.2332	1.0222	-43.2352	11.6463
13	0.9554	1.0057	0.0179	5.8442	-0.3321	1.258	0.0035	0.2546	-0.0813	0.3916	0.1449	-0.1387	0.0306	0.0068	-0.063	0.1275	0.0243	-0.0076	0.2477	-0.0098	0.1523	12.1771	-54.6473	22.1649
14	3.2784	3.0584	0.1964	4.2269	0.7771	0.4642	0.065	-0.5693	-0.0262	0.2121	-0.0621	-0.1259	-0.0625	0.1881	0.0046	0.1792	0.0038	-0.0416	0.2459	-0.0789	0.1595	1.4577	-59.9632	18.8693
15	2.1399	0.6068	-0.4648	0.3232	-0.4565	0.6735	-0.0262	-0.2354	-0.1314	-0.233	0.0246	-0.1562	-0.1168	-0.2146	-0.027	0.2428	0.0454	0.0039	0.1441	-0.0693	0.1591	7.7718	-65.4426	14.4775
16	0.0026	0.0084	-0.0003	-0.0039	-0.0042	-0.0044	0.1758	0.2503	-0.3161	0.1056	0.1967	-0.1197	0.3835	0.1024	-0.2224	0.5431	-0.0983	0.1753	0.3951	-0.0965	0.6132	-6.8194	-80.6907	11.8871
17	5.6666	2.2392	3.1171	2.8578	3.6873	4.7895	0.2092	-0.0401	-0.4239	0.4827	-0.3418	-0.1621	0.4713	0.0651	0.0361	0.3992	-0.0294	-0.0011	0.2517	0.1256	0.4179	-16.0481	-75.611	16.4003
18	2.9241	-0.6161	0.2706	4.578	2.4534	5.0668	0.0292	0.0076	-0.1011	-0.202	-0.1845	0.3607	0.0685	-0.4703	0.2182	0.4997	-0.1227	0.1841	0.2217	-0.2491	0.3261	-24.7638	-70.4305	10.9785
19	4.0373	-0.6309	1.2082	1.7304	-0.5969	1.5395	0.1306	0.0973	-0.3088	0.1356	-0.1449	-0.0211	0.3354	-0.4314	-0.0065	0.4468	-0.027	-0.007	0.2895	-0.015	0.3362	-11.9975	-89.3447	-18.2849
20	1.4205	0.5858	-0.2417	1.4951	-0.4609	0.8502	-0.0271	0.1624	-0.2946	0.0587	0.1284	-0.0937	0.1026	-0.0034	-0.0955	0.3476	0.0398	0.0642	0.2648	-0.0419	0.3116	11.2023	-82.4887	-27.0032
21	3.1263	-0.8244	-0.2563	2.6265	0.5883	2.284	-0.3442	-0.3251	-0.2971	0.0966	0.1242	0.512	-0.1504	-0.176	0.1709	0.1774	-0.0163	-0.0088	0.3853	0.0559	0.1467	-4.049	-67.2596	-48.9198
22	3.1934	-0.68	1.1464	1.2162	1.441	3.0209	0.4878	0.1534	-0.859	0.2185	0.1064	0.2687	0.481	0.1107	-0.312	0.3671	0.0705	0.0811	0.2674	-0.0541	0.1008	26.4795	-74.9921	-50.046
23	0.0608	-0.0432	0.0927	0.1454	0.134	0.233	0.0586	0.0683	-0.0187	0.0181	0.0295	-0.0403	0.0622	0.1145	-0.0674	0.2222	0.061	0.0284	0.3007	-0.0146	0.1919	33.8495	-59.8887	-45.2202
24	0.4478	0.074	0.4529	0.5703	0.946	1.3341	0.1266	0.2723	0.0919	0.1218	-0.0991	-0.1183	-0.0597	0.0218	-0.0139	0.156	-0.0007	0.0276	0.3698	0.0276	0.2116	43.0996	-46.4228	-37.5255
25	0.5066	-0.0814	0.1755	0.5437	0.229	1.2049	-0.0419	0.1663	-0.0446	0.112	0.0213	0.1189	0.2185	0.3035	-0.0037	0.097	0.0581	-0.0477	0.4438	-0.0054	0.2566	47.3247	-58.3832	-39.5804
26	0.8284	-0.298	-0.3847	0.7814	1.0097	0.9581	1.3772	0.2162	-0.2943	0.0943	0.0471	0.3788	-0.2252	1.1595	-0.2546	-1.394	0.6616	0.38	0.5631	0.0359	0.0828	57.2743	-59.4858	-45.2061
27	0.5566	-0.5106	0.093	2.5841	1.3787	2.0742	0.1262	0.6228	-0.1511	0.1152	-0.1984	-0.3318	0.3528	0.0849	-0.0367	0.1826	0.0409	-0.2333	0.7545	-0.011	-0.2122	59.4396	-59.6263	-28.6481
28	3.6748	1.4412	1.1296	2.7874	1.1642	2.3108	0.1894	0.3915	-0.1318	-0.2212	-0.0679	-0.5155	0.0893	0.4355	-0.0908	0.2239	0.123	0.0627	0.5334	0.0409	0.3423	62.5711	-63.5005	-38.9597
29	1.0754	-0.2979	-0.5198	0.9261	0.3724	2.5259	0.0664	0.1161	0.1037	0.0481	0.0315	-0.0659	-0.3914	-0.044	-0.1316	0.2141	0.0296	-0.0354	0.4174	0.0634	0.241	35.9615	-40.2184	-44.6746
30	-0.0635	-0.1662	0.1088	0.2959	0.1252	0.5378	-0.0113	-0.0459	0.0011	-0.0586	0.0101	-0.0317	0.0701	0.1652	-0.0067	0.145	0.0317	0.0073	0.1713	-0.0138	0.195	18.303	-57.5164	-52.7499
31	0.6166	0.2584	-0.0317	1.2444	-0.1503	0.7946	-0.0013	0.1995	-0.0437	-0.003	0.0256	0.0351	-0.0181	-0.0963	-0.0372	0.1492	0.0138	-0.018	0.2739	-0.0082	0.196	7.4672	-58.1425	-72.2099
32	0.4108	0.2077	-0.5108	0.86	-0.055	1.246	-0.0549	0.2084	-0.2038	-0.1363	-0.0029	-0.1695	0.2553	-0.0303	0.0558	0.1935	0.0462	-0.0447	0.2795	-0.0436	0.2341	17.4598	-72.7999	-75.0064
33	0.9638	-0.3961	-0.8217	1.1734	-0.051	1.6254	0.0183	0.2416	-0.3223	-0.1311	0.0461	-0.187	0.1253	-0.0581	-0.0221	0.3605	0.0928	0.1059	0.7377	-0.0439	0.3573	44.3088	-76.7733	-75.6572
34	1.0291	-0.2559	0.1532	0.3587	-0.2881	0.6403	-0.0996	0.1433	-0.0009	-0.0363	0.0027	-0.0266	-0.0118	0.2303	0.1116	0.2464	0.0864	0.0054	0.6782	-0.0561	0.2002	47.6046	-61.8643	-73.2911
35	2.09	0.0774	2.3121	1.0791	0.3096	2.5419	-0.2706	0.0216	0.301	-0.0847	-0.0533	-0.0196	-0.269	0.3193	0.3142	0.1817	0.0053	0.0334	0.4598	0.0476	0.1964	33.1833	-49.4778	-79.937
36	0.5131	0.2933	0.63	0.4269	0.4532	1.7389	-0.1254	-0.0299	0.0714	-0.0462	0.0705	0.0589	-0.2909	-0.5053	0.0213	0.1943	0.0468	0.0458	0.2856	0.0383	0.2329	1.637	-41.4109	-57.8005
37	1.3965	-0.8362	1.0409	3.3227	-1.5744	1.1021	-0.1374	-0.1591	0.8153	0.5213	0.0599	0.5126	-0.4637	-0.2242	0.0904	0.3656	0.1195	0.0271	0.3443	-0.1071	0.3817	1.6684	-32.3395	-41.5645
38	1.2578	-0.0884	-0.4072	1.1689	-0.5761	1.6253	0.0179	-0.5009	0.0305	-0.029	-0.139	-0.059	-0.0196	0.1424	0.1152	0.1503	0.0093	-0.0295	0.2909	0.0186	0.2581	11.0109	-40.8598	-42.003
39	0.7074	1.0654	0.8578	1.5844	1.2899	1.0444	0.0532	-0.2668	0.4231	0.2643	-0.1229	-0.7168	-0.5974	0.578	0.0478	0.6016	0.0467	0.066	0.1536	0.054	0.5029	19.7651	-29.3915	-55.2578
40	0.8909	0.2052	-0.3168	0.3723	0.1107	1.318	0.0513	-0.2476	-0.0009	0.0275	0.0042	0.0396	-0.0526	-0.1459	-0.0531	0.2921	0.0547	-0.0039	0.3295	-0.048	0.3001	-15.2916	-16.839	-27.972
41	0.5621	0.3277	0.0234	1.1594	0.3775	0.9593	0.0871	-0.1473	-0.0811	0.0658	-0.1089	-0.2143	-0.1031	-0.3272	0.0485	0.2799	0.0632	0.0219	0.2725	0.0496	0.2162	0.736	-3.3966	-38.4625
42	0.3432	0.04	-0.2667	0.689	-0.0584	0.2261	0.1185	0.2802	0.1572	0.1553	-0.0968	-0.1872	-0.1829	-0.1262	-0.0087	0.6121	0.0109	0.025	0.2894	0.0999	0.345	11.7954	12.1305	-43.0852
43	1.3455	0.7873	0.2887	0.6212	-0.1415	0.1563	0.2521	0.0105	0.0378	0.4968	-0.0372	-0.0285	-0.0612	-0.186	-0.0811	0.3659	0.0433	-0.0206	0.261	0.0618	0.2388	5.7452	7.2692	-38.1341
44	0.8827	0.8866	0.9889	0.7744	0.964	1.0859	0.2482	0.1383	0.0465	0.5536	-0.3106	-0.4217	-0.4769	0.5163	0.0857	0.5176	-0.0021	-0.0361	0.4827	0.2237	0.4172	12.7112	21.3289	-47.3861
45	0.9767	-0.7526	0.5628	1.2806	0.2128	0.9819	0.0379	0.4466	0.1095	-0.7249	-0.4143	-0.2241	-0.0421	-0.3995	0.1189	0.5958	0.0367	0.1776	-0.0996	0.2731	0.31	6.3139	0.9161	-54.9837
46	0.462	-0.2773	0.1838	0.1494	-0.0847	0.0648	-0.0757	0.2128	0.2755	0.1886	-0.0689	0.0915	-0.3638	0.0671	0.0742	0.475	0.033	0.0835	0.4183	0.0936	0.3531	22.4005	7.796	-42.2438
47	0.5132	0.7003	1.0814	1.9897	0.407	0.6707	0.1183	0.0085	-0.1167	0.0489	-0.0477	-0.1687	-0.0339	0.1056	-0.067	0.3602	0.0798	0.052	0.1782	0.0575	0.3627	12.9984	-5.5032	-48.8161
48	1.73	1.6757	0.6566	5.9795	1.8668	0.7059	0.1922	-0.1108	0.1025	-0.0957	0.0103	-0.6367	-0.1597	0.4897	-0.1187	0.3582	-0.0868	0.1704	0.5014	0.0557	0.4361	29.0416	3.7853	-47.7676
49	2.3025	0.4759	-0.223	2.2858	0.3895	1.8113	0.1131	0.0977	-0.3776	-0.1965	-0.2425	-0.4337	-0.3463	0.3857	0.0973	0.3792	0.014	-0.0043	0.3216	0.0002	0.212	25.0728	-4.2497	-55.8661
50	0.3379	0.0019	0.1871	0.6653	0.3288	1.1994	-0.0797	-0.2412	0.3249	0.139	-0.2792	-0.0767	-0.3671	-0.5577	0.2955	0.7037	0.1241	0.0239	0.4373	-0.0065	0.4858	-2.4163	15.5399	-43.6903
51	0.5592	0.8689	-0.8359	0.9919	-1.0301	1.0792	0.0987	-0.166	-0.1976	0.0919	-0.1143	-0.2755	-0.2692	-0.0526	0.0016	0.4912	0.0935	-0.0472	0.2936	0.0093	0.3	-9.7213	-3.8174	-19.7194
52	0.4752	0.6038	-0.6447	0.4115	-0.315	0.8359	-0.0003	-0.0677	0.1987	-0.0222	0.0915	0.0718	0.1288	0.0963	-0.0263	0.4513	0.0545	-0.0142	0.2873	0.0009	0.3294	-13.1022	-4.8974	-35.437
53	0.7019	-0.0148	-0.0838	0.1303	0.3629	0.7418	-0.0892	-0.0216	0.0548	-0.1158	-0.0204	0.1117	-0.3751	-0.4472	0.0966	0.3877	0.1382	-0.0202	0.5615	0.0151	0.3404	-22.4752	-2.8007	-38.4627
54	0.6467	-0.1372	0.2904	0.8722	0.4425	0.424	-0.0273	-0.1402	0.1992	-0.068	-0.0326	0.3083	-0.2608	-0.3433	0.0549	0.4336	0.2067	-0.024	0.6086	-0.0668	0.4068	-36.4133	-6.0412	-33.3169
55	0.3789	0.1952	-0.1366	0.9346	-0.4901	1.2321	-0.1228	0.165	0.1299	-0.0111	0.1191	0.2922	0.012	-0.6478	-0.0235	0.3102	0.0141	-0.0547	0.6892	-0.0695	0.4251	-39.167	-19.3611	-44.5155
56	1.193	-0.2085	0.3475	0.9051	0.4203	1.1765	0.2531	0.1545	-0.1696	0.0553	-0.0695	0.1412	0.4292	-0.1964	-0.2199	0.3796	-0.0492	-0.0042	0.436	-0.0443	0.3844	-26.9928	-29.0157	-41.2083
57	1.2624	-0.5467	-0.2112	0.9525	0.9144	3.4029	0.0216	-0.6124	-0.3096	-0.6443	-0.0173	-0.2941	0.4255	-0.2015	-0.0627	0.3207	0.1224	-0.005	0.3862	0.0055	0.4252	-10.2844	-32.3588	-59.7925
58	5.1112	-1.9035	0.9632	2.2788	0.5835	0.7388	0.1345	0.6674	-0.0818	-0.4547	-0.4872	-0.0129	0.1028	-0.4751	0.1687	0.2999	0.0655	0.0089	0.5368	-0.0171	0.2608	-9.8025	-22.2514	-70.3211
59	1.1513	-0.026	-0.4108	0.9117	0.6634	0.6218	0.3447	-0.2477	-0.5126	-0.1936	-0.318	-0.3479	0.0776	0.3789	-0.0643	0.318	0.0645	-0.041	0.4325	-0.0458	0.3906	-21.9227	-21.8661	-63.6492
60	1.4311	0.4371	-0.1775	1.456	-0.0416	0.9324	0.0658	0.1968	0.1049	-0.4889	-0.1821	0.174	-0.0745	0.0973	0.094	0.414	0.1173	-0.0058	0.3993	-0.0542	0.213	-0.2318	-17.5359	-65.9354
61	0.156	0.0134	-0.3645	0.3342	0.1042	0.8569	0.0114	0.3278	0.4643	0.0654	-0.2564	0.4093	-0.1932	-0.2467	0.2138	0.63	0.1864	-0.0401	0.3316	-0.0099	0.5377	-12.0449	0.0327	-73.6269
62	3.033	0.3588	-2.2424	1.9684	1.2514	2.8598	0.1344	0.4831	0.2249	-0.4866	-0.0644	0.1986	-0.0533	0.0461	-0.037	0.5191	0.1244	-0.0596	0.6552	0.0194	0.2914	-18.2048	-7.1547	-69.3972
63	2.6202	0.5777	-0.1213	0.0791	-0.1177	0.7242	-0.2725	-0.1111	0.2604	-0.1571	0.1422	0.0749	-0.2852	-0.2238	0.1147	0.4171	0.1037	-0.0513	0.258	-0.0461	0.2554	-10.8291	-3.2758	-64.5291
64	2.0896	2.293	0.7567	5.3238	-0.2105	1.5126	-0.0218	-0.278	0.47	0.1375	0.0932	-0.0555	-0.4826	0.1228	-0.0027	0.9954	0.2084	-0.1504	0.5002	0.0174	0.6617	-33.2885	3.7726	-61.4643
65	2.5289	0.0516	0.0405	1.6732	1.9056	2.4364	-0.0025	0.0747	0.2749	-0.142	-0.0028	0.071	0.0887	-0.1058	-0.0446	0.4292	0.1315	-0.2784	1.0918	0.038	0.5164	-38.7464	-10.0512	-65.157
66	1.0278	1.1888	-0.3775	1.3674	-0.3241	0.1219	-0.0715	0.2516	0.5413	0.1926	0.0825	0.0796	-0.2961	-0.2163	0.0514	0.5328	0.1861	-0.1586	1.0835	0.0189	0.7985	-42.5237	7.992	-31.4795
67	0.4969	-0.0333	0.4142	0.2195	-0.2735	0.4869	0.0667	-0.0786	0.1787	0.1098	-0.004	0.1827	-0.3281	0.012	-0.0414	0.7055	0.1085	0.0754	0.63	-0.0302	0.515	-19.3748	15.303	-21.8039
68	1.8413	1.081	0.0546	1.8313	0.0688	0.5519	-0.2823	0.1935	-0.2756	-0.4016	0.1686	0.6422	-0.3314	-0.6264	0.0911	0.6114	0.1896	0.002	0.4687	0.0684	0.2274	-23.5508	-6.35	-0.6406
69	1.607	0.3192	-0.4621	1.6148	0.0725	0.1063	-0.1848	-0.0142	0.2324	0.1913	0.3712	0.0272	-0.4103	-0.4132	-0.0795	0.7196	0.1023	0.0503	0.3481	0.0275	0.3141	-0.9867	17.1975	5.0957
70	0.4346	-0.2025	0.0838	0.4203	-0.2866	1.1411	-0.0148	-0.0311	0.0949	0.1748	-0.1541	-0.0951	-0.4375	0.0215	0.0891	0.412	-0.0529	-0.0381	0.2091	0.0553	0.3035	11.7871	9.5782	-5.3595
71	0.9951	-0.0083	0.3225	0.6768	-0.4474	0.3708	-0.1163	0.2112	0.0859	0.0638	-0.0199	-0.1988	-0.0818	0.4616	0.1599	0.3726	-0.0474	-0.0078	0.3888	0.0156	0.2466	25.0006	4.6732	-13.5155
72	0.2435	-0.1283	0.1444	0.4387	-0.5552	1.2447	-0.0461	0.0591	0.0836	-0.091	-0.0993	0.0477	-0.3511	0.7954	0.1579	0.4213	-0.1335	-0.0517	0.5091	0.0954	0.3847	31.3773	10.0664	-11.7036
73	0.7608	0.1441	-0.1608	0.8434	0.552	0.7122	0.1134	0.1174	0.3257	0.3684	-0.0173	-0.2325	-0.3682	0.0431	-0.0749	0.6751	-0.0459	-0.0658	0.348	0.0864	0.3845	22.9681	21.4181	-6.2879
74	2.0374	-1.2373	-1.341	2.0067	1.0606	2.0095	-0.0029	0.1575	-0.069	0.2869	-0.2124	-0.4215	-0.5197	-0.0678	0.1373	0.673	-0.2596	-0.1152	0.6944	0.1236	0.3809	34.4866	22.7414	-21.157
75	4.0001	-0.2368	-2.041	1.6673	0.3015	2.0022	0.2407	-0.0953	0.3844	-0.3266	-0.1524	-0.5843	-0.5773	0.4625	-0.0777	0.6531	-0.2389	-0.0662	0.5309	0.1154	0.6985	33.9654	29.1069	-10.7416
76	0.3564	0.1779	-0.2932	0.7024	-0.9957	1.2379	0.0042	-0.0703	-0.1006	-0.0437	0.0201	-0.0058	0.3731	0.5106	0.0437	0.3308	-0.049	-0.0485	0.395	0.0237	0.4221	25.121	-5.4541	-5.035
77	0.1731	-0.0001	-0.4005	0.2646	0.1211	0.57	-0.0514	0.1286	-0.0508	-0.0403	0.0935	-0.0699	-0.4864	-0.1317	-0.0842	0.5294	0.1671	-0.0117	0.2303	-0.0267	0.3683	-2.9285	0.329	-1.8131
78	2.6718	-0.2403	-0.9431	-0.055	0.3211	0.6046	-0.1235	-0.3554	0.2218	-0.0147	0.0389	0.0589	-0.5291	0.1381	0.0996	0.5896	0.0917	-0.0257	0.1688	0.0057	0.3212	4.7974	1.7576	-1.2978
79	0.0216	0.1149	-0.1027	0.2416	-0.1291	0.0384	0.2597	0.0449	-0.0613	-0.2576	-0.1762	0.0009	-0.1881	-0.0312	-0.0766	0.5966	0.0803	0.0124	0.3635	-0.0001	0.2684	0.1869	4.9816	12.7211
80	0.1349	0.1569	0.1378	0.9606	0.5067	0.5384	-0.0405	-0.037	-0.1196	0.1708	-0.0135	-0.0675	-0.2224	-0.0307	0.0371	0.4029	0.0693	-0.0049	0.1756	0.0366	0.2667	0.5104	-10.986	13.2907
81	0.7919	-0.2786	-0.2386	1.1044	-0.1649	0.868	0.0728	-0.1334	0.1757	0.2039	0.1637	0.2013	-0.3051	-0.5727	-0.2195	0.4659	0.1863	0.0296	0.6385	-0.0408	0.3145	-22.3184	-2.0783	23.6993
82	0.3651	0.0342	0.093	0.7942	-0.043	0.1788	-0.2047	-0.2016	0.0654	0.2401	0.0242	0.0802	-0.1887	0.0573	0.1147	0.6845	0.1169	0.0151	0.4564	-0.0266	0.2499	-0.1402	0.5295	33.1927
83	1.9231	-0.6796	1.0223	0.4709	-0.3351	0.8466	-0.4314	-0.1612	0.0669	0.1851	0.1551	0.0276	-0.5313	-0.3458	0.265	0.6627	0.2067	0.044	0.4794	-0.0579	0.3326	-7.6185	14.9518	21.8449
84	2.1972	0.3576	1.877	0.7052	0.7112	2.6397	-0.5312	-0.107	0.4681	0.235	-0.0382	0.1708	-0.3676	0.0297	0.3012	0.9656	0.4192	0.095	0.811	-0.0809	0.2802	-19.8814	12.5247	24.5989
85	0.5314	-0.0427	0.8087	1.9509	1.2172	2.0247	-0.0531	-0.076	0.4842	0.2041	0.0055	0.164	0.1126	-0.0357	-0.057	0.8935	0.1004	-0.0505	0.4769	-0.0406	0.2806	6.1477	31.8372	24.1782
86	0.5589	-0.9685	0.3417	1.7731	-0.746	1.7779	-0.431	-0.0791	0.1976	0.1981	0.4271	-0.25	0.3111	-0.1361	0.0472	0.9666	-0.0376	-0.188	0.5367	-0.0822	0.4207	13.7688	22.5264	30.4016
87	0.6762	-0.1111	-0.2386	0.3798	-0.0002	0.2193	-0.157	-0.1709	0.0557	0.2335	0.0975	-0.1248	-0.3414	0.037	0.0656	0.8213	-0.134	-0.1156	0.761	0.0296	0.3523	24.9768	19.27	22.1612
88	0.3322	0.2599	-0.4575	0.3971	0.0804	0.817	-0.0837	-0.1643	-0.127	0.157	0.1958	-0.0936	-0.058	0.2739	-0.1005	0.6394	0.0226	-0.1094	0.6984	0.0314	0.2707	18.1902	3.0768	29.067
89	0.7184	0.5574	0.8994	0.9449	0.4599	1.208	-0.0784	-0.2652	-0.1276	0.1	-0.1464	0.1201	0.2629	-0.2344	0.1014	0.27	0.0338	0.0444	0.4466	0.0208	0.4202	-8.402	-26.2349	15.5557
90	1.2892	-0.3311	0.8673	1.4091	-0.0977	4.2306	-0.1809	-0.2958	-0.0245	-0.1113	0.097	-0.0145	0.2796	-0.5247	-0.0517	0.3223	0.1147	0.0626	0.1842	-0.0025	0.2851	-0.3588	-21.7521	2.2787
91	0.7234	-1.9744	1.5724	5.2423	-4.1643	3.3067	0.1559	0.2242	-0.4685	-0.7507	-0.1113	-0.0212	0.683	-0.2207	0.0179	0.3492	0.0105	-0.0568	0.2607	-0.0546	0.3869	1.3599	-31.0806	-8.0736
92	1.0075	0.5351	0.1744	0.4711	-0.4759	2.2628	-0.2257	0.2417	0.1026	0.0631	0.2676	-0.1279	-0.4155	0.0941	0.0193	0.4415	0.1385	-0.0442	0.0859	0.0008	0.3346	1.7105	-19.129	-9.2595
93	1.9458	0.0675	-0.2691	2.8121	-0.1811	4.9267	0.3871	-0.0661	-0.2146	0.2656	0.0881	-0.2863	-0.374	0.2647	-0.3541	0.3249	-0.021	-0.016	0.1773	0.0466	0.3814	12.2226	-19.6537	-1.1177

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'B' and (resseq 2:63)
2	X-RAY DIFFRACTION	2	chain 'B' and (resseq 64:224)
3	X-RAY DIFFRACTION	3	chain 'B' and (resseq 225:309)
4	X-RAY DIFFRACTION	4	chain 'B' and (resseq 310:389)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 15:63)
6	X-RAY DIFFRACTION	6	chain 'A' and (resseq 64:161)
7	X-RAY DIFFRACTION	7	chain 'A' and (resseq 162:352)
8	X-RAY DIFFRACTION	8	chain 'A' and (resseq 353:526)
9	X-RAY DIFFRACTION	9	chain 'C' and (resseq 3:9)
10	X-RAY DIFFRACTION	10	chain 'C' and (resseq 10:24)
11	X-RAY DIFFRACTION	11	chain 'C' and (resseq 25:52)
12	X-RAY DIFFRACTION	12	chain 'C' and (resseq 53:69)
13	X-RAY DIFFRACTION	13	chain 'C' and (resseq 70:103)
14	X-RAY DIFFRACTION	14	chain 'C' and (resseq 104:124)
15	X-RAY DIFFRACTION	15	chain 'C' and (resseq 125:143)
16	X-RAY DIFFRACTION	16	chain 'C' and (resseq 144:151)
17	X-RAY DIFFRACTION	17	chain 'C' and (resseq 152:159)
18	X-RAY DIFFRACTION	18	chain 'C' and (resseq 160:168)
19	X-RAY DIFFRACTION	19	chain 'D' and (resseq 2:36)
20	X-RAY DIFFRACTION	20	chain 'D' and (resseq 37:133)
21	X-RAY DIFFRACTION	21	chain 'G' and (resseq 2:33)
22	X-RAY DIFFRACTION	22	chain 'G' and (resseq 34:61)
23	X-RAY DIFFRACTION	23	chain 'G' and (resseq 62:137)
24	X-RAY DIFFRACTION	24	chain 'G' and (resseq 138:224)
25	X-RAY DIFFRACTION	25	chain 'G' and (resseq 225:309)
26	X-RAY DIFFRACTION	26	chain 'G' and (resseq 310:341)
27	X-RAY DIFFRACTION	27	chain 'G' and (resseq 342:366)
28	X-RAY DIFFRACTION	28	chain 'G' and (resseq 367:389)
29	X-RAY DIFFRACTION	29	chain 'F' and (resseq 15:63)
30	X-RAY DIFFRACTION	30	chain 'F' and (resseq 64:260)
31	X-RAY DIFFRACTION	31	chain 'F' and (resseq 261:441)
32	X-RAY DIFFRACTION	32	chain 'F' and (resseq 442:526)
33	X-RAY DIFFRACTION	33	chain 'H' and (resseq 4:39)
34	X-RAY DIFFRACTION	34	chain 'H' and (resseq 40:124)
35	X-RAY DIFFRACTION	35	chain 'H' and (resseq 125:169)
36	X-RAY DIFFRACTION	36	chain 'I' and (resseq 2:54)
37	X-RAY DIFFRACTION	37	chain 'I' and (resseq 55:68)
38	X-RAY DIFFRACTION	38	chain 'I' and (resseq 69:126)
39	X-RAY DIFFRACTION	39	chain 'I' and (resseq 127:133)
40	X-RAY DIFFRACTION	40	chain 'L' and (resseq 2:73)
41	X-RAY DIFFRACTION	41	chain 'L' and (resseq 74:130)
42	X-RAY DIFFRACTION	42	chain 'L' and (resseq 131:172)
43	X-RAY DIFFRACTION	43	chain 'L' and (resseq 173:203)
44	X-RAY DIFFRACTION	44	chain 'L' and (resseq 204:224)
45	X-RAY DIFFRACTION	45	chain 'L' and (resseq 225:251)
46	X-RAY DIFFRACTION	46	chain 'L' and (resseq 252:275)
47	X-RAY DIFFRACTION	47	chain 'L' and (resseq 276:338)
48	X-RAY DIFFRACTION	48	chain 'L' and (resseq 339:366)
49	X-RAY DIFFRACTION	49	chain 'L' and (resseq 367:389)
50	X-RAY DIFFRACTION	50	chain 'K' and (resseq 15:63)
51	X-RAY DIFFRACTION	51	chain 'K' and (resseq 64:96)
52	X-RAY DIFFRACTION	52	chain 'K' and (resseq 97:160)
53	X-RAY DIFFRACTION	53	chain 'K' and (resseq 161:291)
54	X-RAY DIFFRACTION	54	chain 'K' and (resseq 292:378)
55	X-RAY DIFFRACTION	55	chain 'K' and (resseq 379:459)
56	X-RAY DIFFRACTION	56	chain 'K' and (resseq 460:526)
57	X-RAY DIFFRACTION	57	chain 'M' and (resseq 4:24)
58	X-RAY DIFFRACTION	58	chain 'M' and (resseq 25:39)
59	X-RAY DIFFRACTION	59	chain 'M' and (resseq 40:52)
60	X-RAY DIFFRACTION	60	chain 'M' and (resseq 53:86)
61	X-RAY DIFFRACTION	61	chain 'M' and (resseq 87:103)
62	X-RAY DIFFRACTION	62	chain 'M' and (resseq 104:118)
63	X-RAY DIFFRACTION	63	chain 'M' and (resseq 119:143)
64	X-RAY DIFFRACTION	64	chain 'M' and (resseq 144:151)
65	X-RAY DIFFRACTION	65	chain 'M' and (resseq 152:165)
66	X-RAY DIFFRACTION	66	chain 'N' and (resseq 2:36)
67	X-RAY DIFFRACTION	67	chain 'N' and (resseq 37:129)
68	X-RAY DIFFRACTION	68	chain 'Q' and (resseq 2:32)
69	X-RAY DIFFRACTION	69	chain 'Q' and (resseq 33:73)
70	X-RAY DIFFRACTION	70	chain 'Q' and (resseq 74:130)
71	X-RAY DIFFRACTION	71	chain 'Q' and (resseq 131:203)
72	X-RAY DIFFRACTION	72	chain 'Q' and (resseq 204:276)
73	X-RAY DIFFRACTION	73	chain 'Q' and (resseq 277:338)
74	X-RAY DIFFRACTION	74	chain 'Q' and (resseq 339:366)
75	X-RAY DIFFRACTION	75	chain 'Q' and (resseq 367:389)
76	X-RAY DIFFRACTION	76	chain 'P' and (resseq 15:63)
77	X-RAY DIFFRACTION	77	chain 'P' and (resseq 64:127)
78	X-RAY DIFFRACTION	78	chain 'P' and (resseq 128:161)
79	X-RAY DIFFRACTION	79	chain 'P' and (resseq 162:204)
80	X-RAY DIFFRACTION	80	chain 'P' and (resseq 205:352)
81	X-RAY DIFFRACTION	81	chain 'P' and (resseq 353:410)
82	X-RAY DIFFRACTION	82	chain 'P' and (resseq 411:459)
83	X-RAY DIFFRACTION	83	chain 'P' and (resseq 460:497)
84	X-RAY DIFFRACTION	84	chain 'P' and (resseq 498:526)
85	X-RAY DIFFRACTION	85	chain 'R' and (resseq 4:25)
86	X-RAY DIFFRACTION	86	chain 'R' and (resseq 26:52)
87	X-RAY DIFFRACTION	87	chain 'R' and (resseq 53:118)
88	X-RAY DIFFRACTION	88	chain 'R' and (resseq 119:169)
89	X-RAY DIFFRACTION	89	chain 'S' and (resseq 2:25)
90	X-RAY DIFFRACTION	90	chain 'S' and (resseq 26:54)
91	X-RAY DIFFRACTION	91	chain 'S' and (resseq 55:68)
92	X-RAY DIFFRACTION	92	chain 'S' and (resseq 69:108)
93	X-RAY DIFFRACTION	93	chain 'S' and (resseq 109:133)

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