PDB-5byg: X-ray structure of AAV2 OBD-AAVS1 complex 2:1

ID or keywords:

Entry

Database: PDB / ID: 5byg

Title

X-ray structure of AAV2 OBD-AAVS1 complex 2:1

Components

DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*T)-3')
DNA (5'-D(*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*CP*CP*GP*A)-3')
Protein Rep78

Keywords

DNA Binding protein/DNA / Protein-DNA complex / DNA Binding protein-DNA complex

Function / homology

Function and homology information

symbiont-mediated arrest of host cell cycle during G2/M transition / viral DNA genome replication / symbiont-mediated perturbation of host cell cycle G1/S transition checkpoint / endonuclease activity / DNA replication / host cell nucleus / DNA binding / ATP binding / metal ion binding
Similarity search - Function

Biological species

Adeno-associated virus 2

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Musayev, F.N. / Escalante, C.R.

Funding support

United States, 1items

Citation

Journal: J.Biol.Chem. / Year: 2015
Title: Structural Insights into the Assembly of the Adeno-associated Virus Type 2 Rep68 Protein on the Integration Site AAVS1.
Authors: Musayev, F.N. / Zarate-Perez, F. / Bishop, C. / Burgner, J.W. / Escalante, C.R.

History

Deposition	Jun 10, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 23, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 30, 2015	Group: Database references
Revision 1.2	Nov 25, 2015	Group: Database references
Revision 1.3	Aug 9, 2017	Group: Database references / Derived calculations / Category: citation / pdbx_struct_oper_list Item: _citation.journal_id_CSD / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4	Sep 13, 2017	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Dec 25, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.6	Sep 27, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5byg.cif.gz	426.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5byg.ent.gz	349 KB	Display	PDB format
PDBx/mmJSON format	5byg.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/by/5byg ftp://data.pdbj.org/pub/pdb/validation_reports/by/5byg	HTTPS FTP

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Related structure data

Related structure data	4zq9C 4zo0S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2puk-d 1pwv-1 1hv8-d 3q02-d 6loh-1 6nev-d 5lmc-2 6c6z-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#67 - Jul 2005 TATA-Binding Protein similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #253 - Jan 2021 Expressome similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #47 - Nov 2003 Simian Virus 40 similarity (2) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #80 - Aug 2006 AAA+ Proteases similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: Protein Rep78

B: Protein Rep78

C: Protein Rep78

D: Protein Rep78

E: DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*T)-3')

F: DNA (5'-D(*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*CP*CP*GP*A)-3')

G: DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*T)-3')

H: DNA (5'-D(*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*CP*CP*GP*A)-3')

hetero molecules

124 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Protein Rep78

B: Protein Rep78

E: DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*T)-3')

F: DNA (5'-D(*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*CP*CP*GP*A)-3')

hetero molecules

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

2

C: Protein Rep78

D: Protein Rep78

G: DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*T)-3')

H: DNA (5'-D(*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*AP*GP*CP*GP*CP*CP*GP*A)-3')

hetero molecules

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

Unit cell

Length a, b, c (Å)	183.136, 79.595, 139.502
Angle α, β, γ (deg.)	90.00, 98.12, 90.00
Int Tables number	5
Space group name H-M	C121

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Protein Rep78 Mass: 24551.828 Da / Num. of mol.: 4 / Fragment: UNP residues 1-210 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Adeno-associated virus 2 / Strain: isolate Srivastava/1982 / Gene: Rep78 / Plasmid: pET15b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)PLysS / References: UniProt: Q89268

#1: Protein

Protein Rep78

Mass: 24551.828 Da / Num. of mol.: 4 / Fragment: UNP residues 1-210
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Adeno-associated virus 2 / Strain: isolate Srivastava/1982 / Gene: Rep78 / Plasmid: pET15b / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)PLysS / References: UniProt: Q89268

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DNA chain , 2 types, 4 molecules EGFH

#2: DNA chain	DNA (5'-D(CPTPCPGPGPCPGPCPTPCPGPCPTPCPGPCPTPCPGPCPT)-3') Mass: 6343.059 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens* (human)
#3: DNA chain	DNA (5'-D(GPAPGPCPGPAPGPCPGPAPGPCPGPAPGPCPGPCPCPGPA)-3') Mass: 6548.225 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens* (human)

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Non-polymers , 3 types, 133 molecules

#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#5: Chemical	ChemComp-CIT / CITRIC ACID Mass: 192.124 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₈O₇
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 128 / 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: 4.32 Å³/Da / Density % sol: 71.5 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: Per-6K, Sodium Citrate, Lithium Chloride / PH range: 5-5.5

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Data collection

Diffraction	Mean temperature: 110 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X6A / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 28, 2013
Radiation	Monochromator: Si III / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.5→30 Å / Num. obs: 65724 / % possible obs: 99.8 % / Redundancy: 3.8 % / Net I/σ(I): 18.7
Reflection shell	Resolution: 2.5→2.54 Å / R_merge(I) obs: 0.698 / Mean I/σ(I) obs: 1.5

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4ZO0

4zo0

Resolution: 2.5→29.396 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 28.73 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2272	3316	5.06 %
R_work	0.1894	-	-
obs	0.1914	65509	94.98 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.5→29.396 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5980	1710	29	128	7847

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	8069
X-RAY DIFFRACTION	f_angle_d	1.114	11323
X-RAY DIFFRACTION	f_dihedral_angle_d	22.543	3047
X-RAY DIFFRACTION	f_chiral_restr	0.046	1260
X-RAY DIFFRACTION	f_plane_restr	0.006	1162

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 (%)
2.5002-2.5358	0.3571	95	0.3171	1932	X-RAY DIFFRACTION	72
2.5358-2.5737	0.3319	112	0.3077	2231	X-RAY DIFFRACTION	82
2.5737-2.6139	0.2945	123	0.3059	2310	X-RAY DIFFRACTION	85
2.6139-2.6567	0.3371	134	0.3077	2344	X-RAY DIFFRACTION	87
2.6567-2.7025	0.3358	127	0.3036	2487	X-RAY DIFFRACTION	91
2.7025-2.7516	0.3722	137	0.2976	2545	X-RAY DIFFRACTION	94
2.7516-2.8045	0.2868	142	0.2959	2577	X-RAY DIFFRACTION	96
2.8045-2.8617	0.3335	148	0.2968	2639	X-RAY DIFFRACTION	97
2.8617-2.9238	0.3606	140	0.2989	2671	X-RAY DIFFRACTION	98
2.9238-2.9918	0.3536	134	0.269	2645	X-RAY DIFFRACTION	98
2.9918-3.0665	0.2698	136	0.2462	2705	X-RAY DIFFRACTION	98
3.0665-3.1493	0.2944	141	0.2394	2680	X-RAY DIFFRACTION	98
3.1493-3.2419	0.3227	126	0.2263	2669	X-RAY DIFFRACTION	98
3.2419-3.3464	0.2744	132	0.2219	2688	X-RAY DIFFRACTION	98
3.3464-3.4658	0.2254	139	0.2107	2685	X-RAY DIFFRACTION	98
3.4658-3.6044	0.2079	149	0.2003	2677	X-RAY DIFFRACTION	99
3.6044-3.7681	0.2314	144	0.2073	2701	X-RAY DIFFRACTION	99
3.7681-3.9663	0.2052	154	0.1789	2698	X-RAY DIFFRACTION	99
3.9663-4.2141	0.2134	163	0.1501	2676	X-RAY DIFFRACTION	99
4.2141-4.5384	0.1938	150	0.1341	2716	X-RAY DIFFRACTION	99
4.5384-4.9931	0.1722	128	0.1356	2739	X-RAY DIFFRACTION	99
4.9931-5.7111	0.1975	137	0.1415	2731	X-RAY DIFFRACTION	99
5.7111-7.178	0.194	159	0.1615	2741	X-RAY DIFFRACTION	99
7.178-29.3978	0.1855	166	0.1573	2706	X-RAY DIFFRACTION	96

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	3.6821	-3.3285	-0.9998	4.4228	-2.1898	6.6514	0.7557	0.0126	-0.4527	0.38	-0.5026	0.0615	1.3323	-0.8923	-0.3627	0.5188	-0.2834	-0.117	0.6863	-0.0835	0.5526	4.1872	-57.9619	191.3191
2	3.8625	-4.028	-5.564	4.4199	5.995	8.7344	-0.1769	1.1593	2.0391	-0.4763	0.44	-0.774	-1.2546	0.5823	0.0868	0.5308	-0.1273	-0.0534	0.5192	0.14	0.8801	1.9969	-41.1176	191.53
3	0.9232	-1.7233	1.9944	3.7677	-3.3103	4.1002	-0.4035	0.5877	1.147	-1.8942	1.0869	1.5463	0.8545	0.1051	-0.3885	0.7467	-0.1526	-0.1393	1.316	0.173	1.0887	-16.4253	-43.5163	182.6786
4	3.1861	3.9356	-2.3407	5.9341	-0.8758	8.2991	0.4864	0.2019	1.7407	-0.8573	0.0844	1.6013	-0.3477	-1.3432	-0.2691	0.6894	0.1111	-0.0208	0.9573	0.2046	1.2731	-19.1765	-42.8791	190.1002
5	8.5531	-4.7016	0.9167	9.6989	6.5183	6.904	0.5704	0.8907	2.0789	-0.9271	0.441	0.6773	-2.2599	-0.0741	-0.9528	0.9983	-0.0822	-0.022	0.5441	0.286	1.2513	-7.9485	-37.9175	185.0985
6	6.555	-4.9725	-2.7197	6.7428	2.9197	5.3135	-0.3637	1.1745	0.8178	-1.0541	0.5	-0.5781	-0.4622	0.1298	-0.3179	0.7157	-0.3762	-0.0657	0.714	0.0277	0.6734	4.8418	-49.9189	179.2288
7	3.3183	-3.7994	-4.1172	7.7366	5.9006	8.4519	-0.0499	0.1826	0.3403	-0.632	0.2264	0.3911	-0.6652	-0.4374	-0.1265	0.573	-0.1032	-0.0721	0.5671	-0.0364	0.7342	-3.9736	-50.168	188.4986
8	6.554	1.7744	2.839	8.372	-3.899	4.0831	-0.3926	-1.2785	0.3818	0.4136	-0.185	-0.2305	-1.2087	0.7892	0.9753	0.6118	-0.0886	0.16	1.0667	-0.1307	0.9791	-2.8125	-39.3429	195.7939
9	2.6518	-0.8606	1.8839	1.1837	-1.1208	1.804	-0.226	0.8978	-0.0645	0.282	0.4563	-0.1964	0.4603	-0.3457	-0.0995	0.6035	-0.2074	-0.0941	0.3948	-0.1008	0.6257	4.9388	-55.7465	187.701
10	8.0566	-4.5901	-0.2234	6.3683	-2.0823	1.8287	-0.2921	0.6921	0.8771	-0.4428	-0.0982	-0.4007	0.0471	0.5006	0.0916	0.6037	-0.4036	-0.06	0.9277	-0.1441	0.581	15.2173	-50.2495	185.8576
11	8.1668	-4.1381	-7.4309	7.5889	0.4994	8.6866	-0.1521	0.8178	1.8333	-1.5632	0.0151	-2.0228	-1.7634	2.3925	0.277	0.8568	-0.3654	0.0762	0.825	0.1555	1.0436	8.6975	-38.8095	179.3826
12	4.3309	-2.3089	-2.6141	6.4987	-3.3021	5.742	0.9823	-0.2844	2.3021	0.123	0.3574	0.7349	-1.2188	0.9891	-1.0529	0.9106	-0.4286	0.212	0.5373	0.2621	1.5001	6.5987	-33.4136	182.7711
13	2.9219	2.0037	-2.3186	5.3796	-4.8526	4.522	0.457	-1.0151	0.9334	1.2475	0.7614	0.8699	-1.4997	0.4248	-0.9599	1.0924	-0.3166	0.1041	0.6568	-0.1611	1.0468	7.1323	-37.4034	192.2111
14	5.4365	0.5553	-1.4318	4.1538	-2.252	1.4741	-0.0542	-2.1363	0.4164	1.6295	-0.5246	-0.286	-1.8325	1.4953	0.2417	0.731	-0.2836	-0.0631	1.0499	-0.1269	0.6485	11.5643	-50.2461	200.7509
15	2.9113	-3.5157	-2.5968	6.0385	1.458	4.0644	-1.1131	-0.4561	-0.8807	0.3979	1.2277	-0.2059	-0.7802	1.6453	0.1211	0.4339	-0.188	-0.0551	0.7338	-0.0983	0.6184	11.5631	-54.6196	197.7221
16	3.379	-3.036	-1.3417	3.1236	-0.0596	6.5036	-0.0873	-0.0476	0.653	0.5278	-0.3349	-0.6109	-0.1794	1.3818	0.6526	0.4695	-0.1409	-0.0891	0.5197	0.0533	0.7338	-3.3696	-58.2593	197.3052
17	4.9619	3.3726	-1.8728	6.9034	-3.3977	6.8055	0.4173	0.1405	0.5956	0.558	0.3644	0.7189	-1.0418	-0.5771	-0.726	0.6017	-0.0728	-0.0001	0.436	0.0327	0.7401	-10.9365	-47.2578	193.389
18	5.1312	-4.2062	-4.0314	4.8339	2.8271	3.92	-0.1757	1.3173	-1.9524	-1.3826	-0.4934	1.6279	0.7402	-0.2911	0.5321	0.5917	-0.2557	-0.1229	0.8584	-0.0603	0.6843	-7.9779	-59.4939	185.3855
19	8.5225	2.4974	-2.0295	6.9344	-0.3695	3.7973	-0.2606	1.0356	-0.9952	0.0522	-0.0005	1.0864	0.2729	-0.9699	0.2714	0.4759	-0.1282	0.004	0.8376	0.0192	0.6553	-14.8675	-59.1326	194.8831
20	3.1017	0.931	1.3369	4.4234	-2.1196	4.0034	-0.4253	0.9972	-3.7733	1.5591	1.1982	-0.9889	2.5756	-0.3376	-0.1406	0.8325	-0.0035	0.1871	0.6431	0.1112	1.2668	-8.4136	-71.7308	205.5015
21	1.5788	-0.8092	0.1789	3.083	-2.8847	5.4887	-0.4246	0.9512	0.6814	0.9934	0.0368	0.4661	-0.9013	0.1402	0.2852	0.4629	-0.1558	-0.0752	0.7612	-0.0288	0.7237	40.0705	-32.4361	188.1032
22	5.4591	-4.43	-0.0921	4.0182	-1.7444	8.0995	-0.2658	1.0836	-0.702	0.2184	0.4097	-1.367	0.8189	0.9778	0.4101	0.509	-0.067	0.031	0.8097	-0.2812	0.9668	55.6456	-44.4379	189.588
23	4.3256	-2.6298	-1.5766	1.6955	-0.2655	9.896	0.7214	-0.9877	-0.6839	-0.4921	0.3083	0.9798	-0.3074	0.3577	0.2715	0.6281	-0.1269	0.1417	0.9738	0.1044	1.0717	72.4088	-46.0585	180.8413
24	2.1297	1.8053	1.5459	4.4696	4.4432	4.3841	-1.2784	0.5705	-0.0716	0.6304	1.2575	0.497	-0.7269	2.0233	-0.098	0.7926	-0.195	0.041	0.9808	0.0063	0.8672	68.7107	-34.7056	183.3115
25	3.8848	3.8329	-3.7269	3.7446	-3.6318	3.6019	-0.3779	-0.3245	0.1494	0.3163	0.1743	-0.5254	-0.546	-0.2313	0.3999	0.4652	-0.1805	-0.0471	0.7632	-0.1844	0.7899	64.8226	-23.915	194.7183
26	4.0344	-1.8375	-1.2414	4.877	-1.0791	5.3113	-0.1769	0.763	-0.442	-0.5549	0.107	-0.4437	0.6611	0.5686	0.0211	0.5014	-0.221	0.1479	0.697	-0.1303	0.6567	56.9591	-35.7133	183.0953
27	4.7659	1.0224	4.9466	5.778	3.1348	9.1794	0.5941	1.5364	0.6653	-0.7137	-0.0692	-0.6029	-0.4021	-0.679	0.2337	0.7215	-0.2022	-0.0993	1.0564	0.0673	0.7224	42.4335	-29.4586	174.3061
28	2.6005	-0.671	3.0757	5.3143	-1.647	7.4431	-0.7683	-0.641	0.602	-0.4832	0.2988	-0.4137	0.9284	-1.2235	0.3957	0.4614	-0.1067	0.1287	0.7013	-0.026	0.6287	52.3168	-33.0231	190.488
29	3.9339	3.0394	-4.2946	3.3444	-1.8614	7.6029	0.6782	0.5495	-1.6071	1.7651	-0.5933	0.5171	1.0654	-1.5286	0.0037	0.9942	-0.3919	-0.1053	1.2015	-0.0799	1.1335	56.7348	-44.5092	195.7865
30	4.9841	-4.5559	4.5502	5.8275	-4.7625	4.3553	1.0937	-1.8469	0.2282	-0.8374	0.2944	0.0348	1.6203	-0.684	-1.1098	0.4737	-0.2214	0.01	0.7293	-0.2037	0.6322	48.233	-35.5853	188.7185
31	2.619	-2.5618	-3.4575	3.1847	4.1385	5.3476	-0.6387	1.3863	0.0286	-0.9717	0.6086	-0.0081	0.0435	-1.1979	0.0666	0.5863	-0.3293	-0.0797	0.9662	0.0384	0.6963	35.9957	-36.6787	180.1568
32	3.9253	0.3487	4.2392	0.0853	0.3894	4.5322	0.425	1.3682	-1.8143	-0.4999	0.0216	0.0953	1.4823	0.4914	-0.7361	0.7704	-0.3633	0.1272	0.959	-0.3049	0.8819	45.8918	-44.3794	176.6878
33	6.5332	-4.6518	-1.7248	4.5303	3.1656	4.5144	0.0471	2.9742	-1.3895	-0.8873	-0.3193	-0.2865	1.2129	-0.1818	0.1224	0.6825	-0.2557	0.0902	1.1443	-0.3955	1.1737	58.3257	-47.1881	176.5977
34	2.6848	-1.164	-0.5593	6.0072	-1.5499	3.299	-0.2114	-0.2113	-0.2426	-0.2615	-0.0749	-0.3422	0.3939	-0.3201	0.1609	0.566	-0.2933	0.0552	0.9631	-0.1372	0.7791	42.5606	-45.0298	189.8339
35	5.3043	6.5294	4.8645	8.2006	5.5027	5.3349	-0.6576	-0.9248	0.0191	0.3238	-0.1248	0.264	0.02	-2.2571	0.5501	0.5266	-0.1679	0.0534	1.0334	-0.1781	0.6771	45.3559	-29.3805	197.6947
36	9.2858	-1.4511	0.4102	3.2078	-1.6665	5.6437	-0.34	-0.2175	0.0702	-0.1595	0.0488	-0.0842	0.1264	0.0937	0.177	0.4707	-0.1845	0.0559	0.6184	-0.1287	0.702	55.6744	-29.632	193.3664
37	9.2419	-1.6447	1.1727	3.6718	-2.0987	6.1529	-0.3829	0.2291	0.7423	0.271	0.1761	0.0877	-1.0619	-0.0925	0.1576	0.5135	-0.1027	-0.0255	0.605	-0.1166	0.6792	53.9681	-22.3872	195.3011
38	7.8373	-1.7339	-8.4367	7.1958	0.7691	9.2602	-0.8813	0.1518	1.1481	-0.395	0.3321	-0.1055	-0.3456	-1.7667	0.5245	0.5565	-0.0759	-0.1053	0.8742	-0.2006	0.6611	46.6176	-21.134	203.4056
39	2.9418	-4.9887	-3.1217	8.8024	5.5934	3.5694	0.6137	-0.4623	1.3735	-0.7143	-0.3616	-0.5338	-0.0934	-0.4572	-0.5672	0.6205	0.0508	-0.0735	0.6664	-0.1142	0.8197	36.2806	-22.0808	207.2421
40	5.2875	-4.152	-5.7288	7.0309	2.1594	7.8685	-0.2288	0.4495	1.5234	-0.8207	0.262	2.559	0.3378	-1.2639	-0.1788	0.7452	0.0455	-0.047	1.0984	-0.1068	1.1352	26.9439	-22.6697	211.3202
41	6.5431	0.2932	-4.3001	2.4946	1.0016	3.5904	0.5678	0.0856	1.051	0.2811	-1.2189	-0.0249	-0.3024	0.5027	0.8969	0.5875	-0.2992	0.0139	1.1745	-0.0899	0.7042	6.3828	10.0676	164.8132
42	2.8211	-1.7838	3.188	1.5164	-2.0227	3.5997	0.4666	-0.5856	0.0826	-0.6431	-0.1002	1.0756	0.2522	0.1282	0.9706	0.6633	-0.2192	0.068	0.9726	-0.3225	0.9009	-10.6098	-0.0835	162.5523
43	3.1587	-4.3037	-4.406	5.8664	6.0053	6.61	0.0871	2.2333	-0.5707	-2.1997	0.4619	-0.6071	0.2241	0.1489	-0.159	0.9711	-0.3885	0.2508	1.5933	-0.4426	1.1498	-28.2624	-4.7277	169.6323
44	6.3684	4.1763	5.1154	9.1967	0.6537	7.191	-0.294	2.787	0.0985	-0.0568	0.4643	0.3757	-0.5473	-0.229	-0.0258	0.6275	-0.2834	0.1859	1.238	-0.2059	0.7823	-23.7316	3.5203	171.6172
45	9.2933	0.6914	-3.0294	2.0682	-1.4457	5.9942	0.3194	0.6957	-0.1553	0.9729	0.1581	0.4256	-1.2201	-0.5432	-0.3488	0.7952	0.0822	0.0228	0.9651	0.0317	0.8403	-19.9342	18.9319	168.3458
46	4.8498	-5.2884	-2.5766	9.1294	-0.1344	4.0072	0.2878	2.2124	0.7647	-0.836	-0.26	1.1625	-0.2883	-1.5435	-0.0668	0.5421	0.0392	-0.1147	1.4628	0.1773	0.6813	-21.0092	17.3965	159.6071
47	6.0095	-5.3092	-0.0128	7.1686	-3.4018	4.7047	-0.4135	1.3918	-0.0591	-0.0253	0.5254	0.9027	0.9147	-1.5672	0.2502	0.5569	-0.2538	0.082	1.0348	-0.1324	0.8616	-20.0456	6.3637	164.3434
48	7.5476	-3.2613	6.3443	6.9903	-6.2483	7.5314	-1.0936	-0.0934	1.58	0.6743	0.0348	0.2313	0.6749	-0.7796	1.1158	0.5436	-0.1375	0.1124	0.676	-0.2014	0.6124	-11.9459	5.3741	171.156
49	5.4919	-2.2189	-0.8124	3.7891	-2.4145	3.2742	-0.1416	0.8903	-0.0836	-0.163	-0.0923	-0.2088	0.0325	0.7628	0.135	0.5933	-0.1469	0.0069	0.7637	-0.165	0.3905	-3.308	7.0027	169.6437
50	4.323	0.7045	-0.4965	5.5411	-1.4254	4.444	-0.206	2.1855	0.7716	-0.043	0.0618	0.5739	0.1278	-0.1689	0.0816	0.4273	-0.0815	0.0185	0.9164	-0.1997	0.4849	-3.3306	7.3375	163.4785
51	3.9073	-4.6209	-0.4282	6.0031	-1.064	3.6339	-0.5469	0.0562	-0.2074	0.788	0.2322	-0.317	0.0882	0.4928	0.3489	0.5837	-0.0068	-0.0026	0.9747	-0.1597	0.4566	8.1186	-0.7042	171.0933
52	5.6994	4.36	4.3086	3.713	3.0143	3.6648	0.0386	0.9241	-3.2196	-0.7051	-0.2457	-1.1776	1.3129	0.3873	0.4614	0.6944	-0.1008	0.1645	0.9222	-0.1753	0.8299	-4.925	-5.3612	172.1143
53	6.2645	5.3091	1.9294	4.4849	1.5721	1.4249	0.2198	-1.3336	-1.8633	0.3854	0.0225	-0.7322	0.8462	-1.1853	-0.2936	0.7231	-0.2825	0.114	0.9182	-0.1375	0.9422	-12.9176	-6.9211	172.9245
54	3.3532	0.7541	-1.844	5.4842	-3.8472	3.2077	-0.8164	0.359	-1.0697	-1.296	0.7969	0.4063	2.3686	-0.0245	0.002	1.0477	-0.2128	0.0731	1.2175	-0.3563	0.7993	-8.7511	-8.2542	160.9878
55	2.3238	-1.3674	-2.9308	4.4893	2.3647	3.8951	-0.3988	1.2123	0.7883	-0.6636	0.2064	0.5219	1.4463	0.4505	0.3684	0.7489	-0.0537	0.0833	1.2058	-0.2546	0.6025	2.4853	-1.406	158.6086
56	3.2375	1.957	0.6137	1.388	1.3893	7.7851	-0.351	1.6136	-0.1263	-0.592	0.132	1.0939	0.6912	-0.1554	-0.1088	0.5749	-0.1029	0.076	1.2234	-0.1689	0.6691	8.9867	1.8316	158.612
57	4.764	-5.0632	4.3596	5.3211	-4.5789	3.931	0.0902	2.209	-0.0682	-0.7216	-0.4739	-0.9279	-0.7081	1.2505	0.6134	0.7108	-0.238	0.0954	1.3772	0.1714	0.5939	0.8041	16.0446	157.4838
58	8.9219	0.572	-0.5111	6.2456	-2.0666	9.0194	-0.4557	1.1311	0.2023	-0.6139	0.1894	0.246	-0.4434	-1.5037	0.0259	0.5454	-0.1435	0.0152	0.919	0.0275	0.4776	-10.1355	15.2651	161.5688
59	5.0882	-2.5966	-0.7788	8.1319	1.0833	4.1595	0.0562	0.6888	1.1293	-0.3063	-0.0548	-0.0615	-0.8565	-0.0285	0.1709	0.7347	-0.1261	-0.0076	0.8947	0.0898	0.5363	-8.5701	22.7622	161.6767
60	4.7665	-0.8208	-4.7952	0.0974	0.8855	5.0028	0.4283	0.8848	1.1439	0.2305	0.3976	-0.7447	-1.1873	-0.6236	-0.5097	1.0706	-0.2473	0.0145	1.1545	0.3342	0.9746	3.3489	27.3382	153.4161
61	7.6477	-0.5662	-1.7817	4.4968	-2.1585	3.6013	1.0971	-2.8904	-0.52	-1.9131	-1.6687	-3.1373	-0.116	3.8178	-0.4931	0.7379	0.3837	0.135	1.8254	-0.1985	0.8775	35.9722	-11.703	147.835
62	3.8417	-3.6798	2.8582	4.8896	-0.1965	6.6679	0.9202	1.3875	2.3466	0.4522	-0.4607	-1.5062	1.0225	2.8612	-0.6736	0.8493	0.2617	0.1109	1.5346	-0.2249	1.4153	56.7576	-4.2314	148.9515
63	4.8545	-1.8088	3.0041	1.2888	-0.9337	1.89	-0.0449	0.4501	2.1341	-0.3835	-0.3585	0.0584	-0.5432	0.5001	0.8618	-0.8627	-1.1193	-0.0502	2.9512	-1.6205	2.3897	55.8758	4.888	149.7417
64	0.0706	-0.157	0.2509	0.3885	-0.5466	0.7759	-0.374	-1.0745	1.5048	0.454	1.1916	-1.3359	-1.2767	1.3749	-0.1926	1.0422	-0.332	-0.0387	2.4736	-1.1121	1.3131	44.6228	-3.3162	157.8976
65	3.4463	-3.1106	-4.0625	4.8182	3.8192	4.8078	-0.6525	-1.2826	0.1171	2.8364	1.1356	-0.2342	0.3154	1.115	-0.5186	1.2019	0.2874	-0.1594	2.233	-0.271	0.7956	38.2062	-12.8603	160.7663
66	8.132	6.0589	-7.3211	5.9765	-7.1633	9.3747	-0.7707	-1.2153	0.4256	-0.6961	0.7108	-1.4192	0.9676	3.002	-0.6005	0.8113	0.147	0.0714	2.1975	-0.477	0.8854	45.2919	-12.9907	152.0997
67	4.6222	3.442	1.7444	4.8149	0.639	0.8422	0.3681	-1.147	0.6272	-2.4587	0.2181	-2.0578	-0.0909	-0.161	-0.1695	1.0642	-0.3016	0.4248	1.6664	-0.42	1.6298	46.5967	2.4432	143.3781
68	6.8922	0.043	2.8452	3.6588	-0.8537	5.1612	-1.383	0.4979	0.8709	-2.2604	0.0275	-0.5205	1.0927	0.7543	1.2588	1.2593	-0.4594	0.4321	2.1898	-0.5381	1.6706	43.4544	3.5992	146.3003
69	2.7723	-1.9787	-3.343	1.1656	2.1893	9.3329	-0.2086	-0.7413	0.3871	0.2037	0.6749	-0.248	0.6705	1.2094	-0.3537	0.8022	0.1502	0.089	1.407	-0.3286	0.8087	32.2027	-10.6375	154.4421
70	3.8953	-2.6613	-2.8942	3.5893	1.7873	2.8354	0.9662	-1.4404	1.2425	2.2478	0.0396	0.4461	-0.906	0.1649	-0.319	1.0427	0.1846	0.1108	1.824	-0.5221	1.1736	34.6532	1.0565	161.4024
71	4.6925	1.6727	-1.5103	3.4799	4.3087	8.5888	1.2167	-2.462	1.4673	1.7362	0.0416	-1.1204	-1.4541	0.446	-0.2511	1.4696	-0.1691	-0.1128	1.8455	-0.6245	1.2086	38.9636	5.9749	162.8239
72	2.1952	1.5475	-2.5635	4.2727	-4.38	5.1775	-0.2166	-0.8274	1.0407	-1.1942	1.4679	0.1355	-0.8152	0.5229	-0.9848	1.2226	-0.073	-0.0357	1.3036	-0.6093	1.6457	34.9648	5.5649	151.3767
73	6.4256	-2.2391	5.2664	6.2736	0.7762	5.8365	-1.1322	0.9334	0.5466	-0.8161	-0.1472	-0.6404	-0.9161	-1.1705	0.2997	1.0166	0.0534	0.2918	1.5995	-0.3067	0.839	28.8406	-4.4785	142.3248
74	8.4863	-4.427	-0.6176	9.1846	1.8578	3.4672	0.2201	1.0724	-0.5415	-0.6493	0.2933	-0.4496	0.0398	0.5495	-0.3117	0.825	0.0049	0.1006	1.5984	-0.2931	0.7544	34.555	-11.9771	142.4868
75	2.109	-0.2109	2.6033	0.0212	-0.2649	3.2074	0.2393	0.0905	0.2501	-0.5533	0.5439	-0.2698	-0.2065	2.9994	0.0029	0.6901	0.1312	0.5616	2.6829	-0.9098	1.0086	45.1882	-10.3825	138.3494
76	4.0779	-5.5603	-2.7897	7.7447	4.5439	5.8725	0.98	-0.6655	2.1791	1.0242	0.2868	-0.5436	0.036	0.18	-0.3448	0.8069	-0.308	0.5527	2.0534	-0.6026	1.7717	52.8457	-2.4859	138.5017
77	5.4223	5.6113	-4.119	6.1809	-4.2055	4.0368	1.3728	0.1489	1.5074	0.3408	0.6021	0.135	-1.4661	1.9909	-1.5285	1.1939	-0.3259	0.3889	2.7893	-0.9387	1.5331	51.913	-2.113	147.1208
78	4.5238	1.468	5.0704	2.2191	1.1225	5.9296	0.1384	0.3489	0.1265	0.8259	0.6718	-1.5143	1.6116	3.5894	-0.6213	1.0598	0.2574	-0.2454	2.1332	-0.5679	1.2577	51.8652	-15.8764	148.4207
79	1.6121	-1.4036	-0.9244	8.3005	6.1943	4.6454	1.388	-2.5342	0.4603	0.1645	-0.4538	-5.2048	0.2081	2.4951	-0.0494	0.7707	0.0024	0.0483	2.7	-0.5077	2.0643	58.1153	-9.1958	142.3882
80	6.9289	0.3219	-0.7389	3.1877	4.3259	9.3389	0.3113	-1.6121	0.5085	0.4644	-0.5899	0.0801	0.9544	-0.2212	0.0904	1.0015	0.3196	0.2698	1.82	-0.0401	0.8886	46.9787	-20.4948	129.0102
81	4.629	1.5876	4.2992	9.419	0.0895	4.1547	-0.3438	3.2398	-1.7442	-2.3368	0.4447	-0.4273	1.8961	0.2169	0.2977	1.8776	-0.1984	0.141	1.5619	-0.0669	0.8124	17.2106	-56.1307	222.5993
82	9.7832	-3.3022	-1.8972	7.3188	4.083	4.441	0.352	-3.2224	0.8234	0.9351	0.0022	0.3938	-0.3605	1.7415	-0.3917	0.977	-0.3045	0.0153	1.7786	-0.1237	0.7541	18.4313	-47.84	209.7039
83	8.0728	-4.5617	-2.1805	3.1165	2.8938	5.8634	1.0754	-0.5252	0.5248	0.9339	-0.7073	-1.4643	-0.0444	0.7897	-0.3897	0.6693	-0.322	-0.0327	1.4132	0.0155	0.8703	30.1223	-52.9987	198.8765
84	3.9934	1.3906	-2.775	9.5891	-6.0504	4.8042	0.2711	0.5144	-0.1725	-0.1852	-0.8497	-0.4083	0.0191	1.3798	0.6619	0.6219	-0.2598	-0.0021	0.9821	-0.1371	0.6296	24.4497	-54.4431	183.3786
85	5.3447	5.4718	-3.9966	8.6299	-4.9903	7.6806	-0.8854	2.0856	-0.845	-1.4991	0.2808	-0.3626	1.1098	-0.4527	0.7571	0.9487	-0.4629	0.0511	1.5979	-0.1633	0.6754	32.9493	-45.4512	170.2357
86	5.2237	-4.1744	3.3524	5.1995	-4.7584	4.5843	0.8618	3.5632	-0.6055	-0.2419	0.3007	2.3249	0.1071	-1.3347	-0.6815	1.2246	-0.5787	0.0347	2.5221	-0.082	0.9423	28.2942	-50.8198	163.4913
87	6.5776	-6.1721	2.0626	7.6713	1.7494	7.1644	-0.2803	0.3515	-0.5531	-0.7701	0.5527	-0.2654	0.7279	-0.7574	-0.2102	0.6998	-0.2833	0.0739	1.1471	-0.1111	0.7506	33.9728	-51.3057	177.9509
88	5.4694	5.5864	-3.483	6.7708	-3.4193	2.0899	-0.0481	-0.6845	0.8583	-0.1208	0.7029	0.0609	-0.5471	1.705	-0.6206	0.6088	-0.382	0.0215	1.142	-0.0988	0.7508	24.4219	-48.1798	190.193
89	2.0422	-0.3392	2.839	7.0366	2.4881	7.4943	0.1343	-1.9602	-0.4228	1.3579	0.0986	-0.1017	-0.6713	0.6283	-0.2847	0.7823	-0.3051	-0.0645	1.3402	0.106	0.7229	22.8296	-56.5211	203.8465
90	4.005	-0.1466	3.7176	2.5804	1.0764	4.4676	-0.2858	-1.4515	1.2087	2.0158	0.9991	-0.2028	-0.0245	2.4369	-0.7112	1.3262	-0.2217	0.1095	1.7094	-0.0888	0.8932	20.8191	-47.8906	218.7863
91	8.2048	0.0659	1.9508	7.2217	1.5053	5.6492	0.2223	-2.9291	-0.1569	1.2826	0.5696	-0.6842	0.7607	-1.158	-0.5037	1.6943	0.4221	0.0919	2.1071	0.0439	0.8094	21.0608	-9.0032	124.4136
92	4.1892	2.9077	4.2713	2.4502	2.7505	4.476	-0.803	-1.3358	0.2013	-0.7615	0.3863	-0.0513	0.2277	3.1256	0.5954	1.2741	0.1721	0.2242	1.8804	-0.0826	0.9589	16.9354	-0.6545	138.0065
93	7.9045	-1.9268	1.772	4.8698	-0.4311	4.1761	0.4836	-0.3956	-0.1658	-0.229	0.0246	0.7187	0.6555	-1.2181	-0.3924	0.7996	-0.1924	0.2223	1.6851	-0.3262	0.8508	12.0213	-10.9383	150.1418
94	1.9873	-0.8842	-1.5667	3.1816	0.5887	4.1157	-0.6575	-0.9286	-0.0066	0.0289	0.1003	-0.1763	0.6718	0.8245	0.4546	0.8182	0.1674	0.0907	1.5657	-0.1458	0.7483	20.7318	-10.9897	164.2715
95	2.1119	-1.0435	-2.6376	5.9582	-0.8806	5.8499	0.3756	-1.5029	-0.7104	1.0505	-0.0773	-0.3229	0.9018	1.9216	-0.5861	0.8854	0.106	-0.0375	1.2252	-0.0711	0.6266	11.9776	-7.959	178.1573
96	9.2571	-2.4784	-1.605	9.6367	3.5657	5.305	-0.3336	-1.4419	-1.2451	0.7823	1.5426	-0.6422	0.3455	2.1524	-1.1232	1.1863	0.3627	0.1662	1.6014	-0.1531	0.8623	17.1886	-14.885	179.3586
97	3.3657	1.3598	-2.7604	6.4676	-5.8255	5.7408	0.1955	0.1943	-0.3673	-0.8972	-0.3261	0.1384	0.8934	1.3983	0.2122	0.6944	-0.0174	0.0492	1.2404	-0.1732	0.6108	11.9783	-8.2006	164.8349
98	6.2218	-5.1058	-3.9074	1.9999	6.3225	4.0208	1.0124	1.6508	-0.3581	0.2872	-0.0698	-0.5603	0.0341	-0.7246	-0.7294	0.9262	0.0907	0.2428	1.5288	-0.2208	0.8203	20.2049	-6.6401	151.4171
99	7.0709	3.6139	3.045	3.6889	0.114	2.5647	0.0073	2.6443	-0.0647	-1.7537	1.5626	0.2091	0.8294	-0.4026	-0.9596	1.2268	-0.0148	0.0317	2.2031	-0.2205	0.8121	14.4531	-9.9473	136.6566
100	8.7428	4.6958	-5.1223	9.6244	-6.2188	5.7646	1.4116	0.1926	1.6968	0.1239	0.8627	-0.1495	-1.0229	1.0077	-2.1478	2.1339	0.5126	0.1433	2.4704	-0.2013	1.0739	17.7416	-0.7296	123.9342

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 1:6)
2	X-RAY DIFFRACTION	2	(chain A and resid 7:12)
3	X-RAY DIFFRACTION	3	(chain A and resid 13:40)
4	X-RAY DIFFRACTION	4	(chain A and resid 41:48)
5	X-RAY DIFFRACTION	5	(chain A and resid 49:57)
6	X-RAY DIFFRACTION	6	(chain A and resid 58:74)
7	X-RAY DIFFRACTION	7	(chain A and resid 75:85)
8	X-RAY DIFFRACTION	8	(chain A and resid 86:91)
9	X-RAY DIFFRACTION	9	(chain A and resid 92:100)
10	X-RAY DIFFRACTION	10	(chain A and resid 101:113)
11	X-RAY DIFFRACTION	11	(chain A and resid 114:119)
12	X-RAY DIFFRACTION	12	(chain A and resid 120:125)
13	X-RAY DIFFRACTION	13	(chain A and resid 126:133)
14	X-RAY DIFFRACTION	14	(chain A and resid 134:140)
15	X-RAY DIFFRACTION	15	(chain A and resid 141:148)
16	X-RAY DIFFRACTION	16	(chain A and resid 149:156)
17	X-RAY DIFFRACTION	17	(chain A and resid 157:169)
18	X-RAY DIFFRACTION	18	(chain A and resid 170:176)
19	X-RAY DIFFRACTION	19	(chain A and resid 177:195)
20	X-RAY DIFFRACTION	20	(chain A and resid 196:201)
21	X-RAY DIFFRACTION	21	(chain B and resid 1:7)
22	X-RAY DIFFRACTION	22	(chain B and resid 8:13)
23	X-RAY DIFFRACTION	23	(chain B and resid 14:28)
24	X-RAY DIFFRACTION	24	(chain B and resid 29:36)
25	X-RAY DIFFRACTION	25	(chain B and resid 37:45)
26	X-RAY DIFFRACTION	26	(chain B and resid 46:69)
27	X-RAY DIFFRACTION	27	(chain B and resid 70:75)
28	X-RAY DIFFRACTION	28	(chain B and resid 76:85)
29	X-RAY DIFFRACTION	29	(chain B and resid 86:90)
30	X-RAY DIFFRACTION	30	(chain B and resid 91:95)
31	X-RAY DIFFRACTION	31	(chain B and resid 96:106)
32	X-RAY DIFFRACTION	32	(chain B and resid 107:116)
33	X-RAY DIFFRACTION	33	(chain B and resid 117:124)
34	X-RAY DIFFRACTION	34	(chain B and resid 125:149)
35	X-RAY DIFFRACTION	35	(chain B and resid 150:159)
36	X-RAY DIFFRACTION	36	(chain B and resid 160:173)
37	X-RAY DIFFRACTION	37	(chain B and resid 174:185)
38	X-RAY DIFFRACTION	38	(chain B and resid 186:194)
39	X-RAY DIFFRACTION	39	(chain B and resid 195:200)
40	X-RAY DIFFRACTION	40	(chain B and resid 201:207)
41	X-RAY DIFFRACTION	41	(chain C and resid 1:6)
42	X-RAY DIFFRACTION	42	(chain C and resid 7:21)
43	X-RAY DIFFRACTION	43	(chain C and resid 22:27)
44	X-RAY DIFFRACTION	44	(chain C and resid 28:34)
45	X-RAY DIFFRACTION	45	(chain C and resid 35:40)
46	X-RAY DIFFRACTION	46	(chain C and resid 41:48)
47	X-RAY DIFFRACTION	47	(chain C and resid 49:54)
48	X-RAY DIFFRACTION	48	(chain C and resid 55:61)
49	X-RAY DIFFRACTION	49	(chain C and resid 62:88)
50	X-RAY DIFFRACTION	50	(chain C and resid 89:97)
51	X-RAY DIFFRACTION	51	(chain C and resid 98:111)
52	X-RAY DIFFRACTION	52	(chain C and resid 112:117)
53	X-RAY DIFFRACTION	53	(chain C and resid 118:124)
54	X-RAY DIFFRACTION	54	(chain C and resid 125:130)
55	X-RAY DIFFRACTION	55	(chain C and resid 131:139)
56	X-RAY DIFFRACTION	56	(chain C and resid 140:148)
57	X-RAY DIFFRACTION	57	(chain C and resid 149:158)
58	X-RAY DIFFRACTION	58	(chain C and resid 159:173)
59	X-RAY DIFFRACTION	59	(chain C and resid 174:186)
60	X-RAY DIFFRACTION	60	(chain C and resid 187:200)
61	X-RAY DIFFRACTION	61	(chain D and resid 1:8)
62	X-RAY DIFFRACTION	62	(chain D and resid 9:42)
63	X-RAY DIFFRACTION	63	(chain D and resid 43:55)
64	X-RAY DIFFRACTION	64	(chain D and resid 56:63)
65	X-RAY DIFFRACTION	65	(chain D and resid 64:74)
66	X-RAY DIFFRACTION	66	(chain D and resid 75:80)
67	X-RAY DIFFRACTION	67	(chain D and resid 81:87)
68	X-RAY DIFFRACTION	68	(chain D and resid 88:91)
69	X-RAY DIFFRACTION	69	(chain D and resid 92:112)
70	X-RAY DIFFRACTION	70	(chain D and resid 113:117)
71	X-RAY DIFFRACTION	71	(chain D and resid 118:126)
72	X-RAY DIFFRACTION	72	(chain D and resid 127:132)
73	X-RAY DIFFRACTION	73	(chain D and resid 133:140)
74	X-RAY DIFFRACTION	74	(chain D and resid 141:152)
75	X-RAY DIFFRACTION	75	(chain D and resid 153:157)
76	X-RAY DIFFRACTION	76	(chain D and resid 158:163)
77	X-RAY DIFFRACTION	77	(chain D and resid 164:169)
78	X-RAY DIFFRACTION	78	(chain D and resid 170:178)
79	X-RAY DIFFRACTION	79	(chain D and resid 179:184)
80	X-RAY DIFFRACTION	80	(chain D and resid 185:207)
81	X-RAY DIFFRACTION	81	(chain E and resid 1:4)
82	X-RAY DIFFRACTION	82	(chain E and resid 5:8)
83	X-RAY DIFFRACTION	83	(chain E and resid 9:12)
84	X-RAY DIFFRACTION	84	(chain E and resid 13:16)
85	X-RAY DIFFRACTION	85	(chain E and resid 17:21)
86	X-RAY DIFFRACTION	86	(chain F and resid 22:25)
87	X-RAY DIFFRACTION	87	(chain F and resid 26:29)
88	X-RAY DIFFRACTION	88	(chain F and resid 30:33)
89	X-RAY DIFFRACTION	89	(chain F and resid 34:37)
90	X-RAY DIFFRACTION	90	(chain F and resid 38:42)
91	X-RAY DIFFRACTION	91	(chain G and resid 1:5)
92	X-RAY DIFFRACTION	92	(chain G and resid 6:9)
93	X-RAY DIFFRACTION	93	(chain G and resid 10:13)
94	X-RAY DIFFRACTION	94	(chain G and resid 14:17)
95	X-RAY DIFFRACTION	95	(chain G and resid 18:21)
96	X-RAY DIFFRACTION	96	(chain H and resid 22:26)
97	X-RAY DIFFRACTION	97	(chain H and resid 27:30)
98	X-RAY DIFFRACTION	98	(chain H and resid 31:34)
99	X-RAY DIFFRACTION	99	(chain H and resid 35:38)
100	X-RAY DIFFRACTION	100	(chain H and resid 39:42)

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