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- PDB-8hrd: Crystal structure of the receptor binding domain of SARS-CoV-2 De... -

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Open data

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Basic information

Entry

Database: PDB / ID: 8hrd

Title

Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab

Components

IMCAS74 Fab heavy chain
IMCAS74 Fab light chain
Spike protein S1
W14 Fab heavy chain
W14 Fab light chain

Keywords

VIRAL PROTEIN/IMMUNE SYSTEM / complex / VIRAL PROTEIN / VIRAL PROTEIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

symbiont-mediated disruption of host tissue / Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / viral translation / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion ...
Similarity search - Function

Biological species

Severe acute respiratory syndrome coronavirus 2

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.86 Å

Authors

Zhao, R.C. / Wu, L.L. / Han, P.

Funding support

China, 1items

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2023
Title: Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Authors: Rao, X. / Zhao, R. / Tong, Z. / Guo, S. / Peng, W. / Liu, K. / Li, S. / Wu, L. / Tong, J. / Chai, Y. / Han, P. / Wang, F. / Jia, P. / Li, Z. / Zhao, X. / Li, D. / Zhang, R. / Zhang, X. / ...

History

Deposition	Dec 15, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Dec 20, 2023	Provider: repository / Type: Initial release
Revision 1.1	Dec 27, 2023	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	8hrd.cif.gz	1.9 MB	Display	PDBx/mmCIF format
PDB format	pdb8hrd.ent.gz	1.4 MB	Display	PDB format
PDBx/mmJSON format	8hrd.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8hrd_validation.pdf.gz	1.5 MB	Display	wwPDB validaton report
Full document	8hrd_full_validation.pdf.gz	1.5 MB	Display
Data in XML	8hrd_validation.xml.gz	139.1 KB	Display
Data in CIF	8hrd_validation.cif.gz	191.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/hr/8hrd ftp://data.pdbj.org/pub/pdb/validation_reports/hr/8hrd	HTTPS FTP

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Related structure data

Related structure data	7y3nC 7y3oC C: citing same article (ref.)
Similar structure data	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	#256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (2) #264 - Dec 2021 SARS-CoV-2 Spike Variants similarity (1) #246 - Jun 2020 SARS-CoV-2 Spike similarity (1) #259 - Jul 2021 Designed Proteins and Citizen Science similarity (1) #21 - Sep 2001 Antibodies similarity (1)

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Assembly

Deposited unit

A: Spike protein S1

O: IMCAS74 Fab heavy chain

P: IMCAS74 Fab light chain

D: W14 Fab heavy chain

F: W14 Fab light chain

B: Spike protein S1

C: IMCAS74 Fab heavy chain

E: IMCAS74 Fab light chain

G: W14 Fab heavy chain

H: W14 Fab light chain

K: Spike protein S1

L: IMCAS74 Fab heavy chain

M: IMCAS74 Fab light chain

N: W14 Fab heavy chain

Q: W14 Fab light chain

T: Spike protein S1

W: IMCAS74 Fab heavy chain

X: IMCAS74 Fab light chain

Y: W14 Fab heavy chain

Z: W14 Fab light chain

hetero molecules

488 kDa, 20 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Spike protein S1

O: IMCAS74 Fab heavy chain

P: IMCAS74 Fab light chain

D: W14 Fab heavy chain

F: W14 Fab light chain

hetero molecules

defined by author
Evidence: gel filtration
122 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

B: Spike protein S1

C: IMCAS74 Fab heavy chain

E: IMCAS74 Fab light chain

G: W14 Fab heavy chain

H: W14 Fab light chain

hetero molecules

defined by author
122 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

K: Spike protein S1

L: IMCAS74 Fab heavy chain

M: IMCAS74 Fab light chain

N: W14 Fab heavy chain

Q: W14 Fab light chain

hetero molecules

defined by author
122 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

T: Spike protein S1

W: IMCAS74 Fab heavy chain

X: IMCAS74 Fab light chain

Y: W14 Fab heavy chain

Z: W14 Fab light chain

hetero molecules

defined by author
122 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	196.662, 270.048, 118.156
Angle α, β, γ (deg.)	90.000, 107.850, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

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Components

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Antibody , 4 types, 16 molecules OCLWPEMXDGNYFHQZ

#2: Antibody	IMCAS74 Fab heavy chain Mass: 25335.576 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Antibody	IMCAS74 Fab light chain Mass: 22698.014 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody	W14 Fab heavy chain Mass: 25102.082 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Antibody	W14 Fab light chain Mass: 23441.945 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein / Sugars / Non-polymers , 3 types, 109 molecules ABKT

#1: Protein

Spike protein S1

Mass: 25194.447 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Severe acute respiratory syndrome coronavirus 2
Gene: S, 2 / Production host:

Homo sapiens (human) / References: UniProt: P0DTC2

#6: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆ / Feature type: SUBJECT OF INVESTIGATION

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

#7: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 101 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	Y

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.2 Å³/Da / Density % sol: 61.54 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop Details: 0.2 M Ammonium formate, 20% w/v Polyethylene glycol 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.979183 Å
Detector	Type: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: Mar 8, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979183 Å / Relative weight: 1
Reflection	Resolution: 2.86→112.47 Å / Num. obs: 134730 / % possible obs: 100 % / Redundancy: 7 % / B_iso Wilson estimate: 59.11 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.13 / Net I/σ(I): 12.9
Reflection shell	Resolution: 2.86→3.01 Å / R_merge(I) obs: 0.822 / Num. unique obs: 19639 / CC_1/2: 0.792

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Processing

Software

Name	Version	Classification
PHENIX	dev_4382	refinement
PHENIX	dev_4382	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.86→63.06 Å / SU ML: 0.3857 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.4286
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2439	3954	1.49 %
R_work	0.2122	133825	-
obs	0.2126	133430	99.54 %

Solvent computation

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

Displacement parameters

B_iso mean: 64.57 Å²

Refinement step

Cycle: LAST / Resolution: 2.86→63.06 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	32869	0	56	101	33026

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0034	33783
X-RAY DIFFRACTION	f_angle_d	0.7003	46032
X-RAY DIFFRACTION	f_chiral_restr	0.0466	5127
X-RAY DIFFRACTION	f_plane_restr	0.0058	5893
X-RAY DIFFRACTION	f_dihedral_angle_d	5.5863	4699

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 (%)
2.86-2.89	0.3864	141	0.3556	9387	X-RAY DIFFRACTION	99.45
2.89-2.93	0.3382	141	0.3476	9352	X-RAY DIFFRACTION	99.51
2.93-2.97	0.3361	141	0.3301	9371	X-RAY DIFFRACTION	99.48
2.97-3.01	0.3342	140	0.3108	9369	X-RAY DIFFRACTION	99.62
3.01-3.05	0.3363	142	0.3069	9340	X-RAY DIFFRACTION	99.58
3.05-3.1	0.2691	142	0.2879	9425	X-RAY DIFFRACTION	99.68
3.1-3.15	0.3227	143	0.2889	9345	X-RAY DIFFRACTION	99.6
3.15-3.2	0.3096	141	0.2785	9393	X-RAY DIFFRACTION	99.69
3.2-3.25	0.3084	139	0.2743	9342	X-RAY DIFFRACTION	99.81
3.25-3.31	0.3525	142	0.2752	9394	X-RAY DIFFRACTION	99.7
3.31-3.38	0.3129	143	0.266	9439	X-RAY DIFFRACTION	99.73
3.38-3.45	0.3348	141	0.2722	9335	X-RAY DIFFRACTION	99.62
3.45-3.52	0.2473	144	0.264	9377	X-RAY DIFFRACTION	99.61
3.52-3.6	0.2863	139	0.2411	9329	X-RAY DIFFRACTION	99.51
3.6-3.69	0.2727	144	0.2303	9420	X-RAY DIFFRACTION	99.75
3.69-3.79	0.2912	139	0.2216	9362	X-RAY DIFFRACTION	99.64
3.79-3.9	0.2822	143	0.2167	9364	X-RAY DIFFRACTION	99.56
3.9-4.03	0.2892	140	0.2083	9338	X-RAY DIFFRACTION	99.59
4.03-4.17	0.2381	143	0.1954	9469	X-RAY DIFFRACTION	99.8
4.17-4.34	0.2019	141	0.1727	9338	X-RAY DIFFRACTION	99.71
4.34-4.54	0.1814	141	0.1601	9395	X-RAY DIFFRACTION	99.67
4.54-4.78	0.1757	143	0.1485	9366	X-RAY DIFFRACTION	99.65
4.78-5.08	0.1682	142	0.1545	9347	X-RAY DIFFRACTION	99.68
5.08-5.47	0.1748	141	0.1657	9351	X-RAY DIFFRACTION	99.57
5.47-6.02	0.2278	140	0.1782	9413	X-RAY DIFFRACTION	99.52
6.02-6.89	0.2029	143	0.193	9342	X-RAY DIFFRACTION	99.35
6.89-8.68	0.2112	137	0.1806	9343	X-RAY DIFFRACTION	99.44
8.68-63.06	0.188	138	0.1682	9192	X-RAY DIFFRACTION	97.56

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	6.93065625771	-2.28973869486	-2.13358441288	5.67816178952	2.33975898982	9.94128280982	0.151781774459	0.408505322436	-1.16924757898	-0.703516003318	-0.171995531474	0.0781565484996	0.295071309637	-0.260830496471	-0.0558158607992	0.486115164443	-0.0704495829232	-0.0410138795735	0.344053349624	-0.0127196165013	0.446844041859	86.3321043875	-3.05990614945	-68.1068241141
2	5.69523168996	-2.73603388836	-3.29670258812	4.54890905231	2.74748628839	6.14824654821	0.173212318926	0.662200359953	-0.685855168538	-0.288854457996	-0.0360235983491	-0.0659863945315	-0.502051213298	0.304628696685	-0.124517316145	0.750869940139	0.00126848417291	0.00254658469798	0.388361005011	-0.042460521262	0.504145603138	95.8044619717	-5.93467640057	-67.3260620343
3	4.8424894365	-1.9488698402	0.771428348938	4.66986684475	-0.0277653019452	1.87455502685	0.328776025977	0.69008086031	0.583105820336	-0.666262229422	-0.233668760565	-0.513908126161	-0.310182743549	0.311041219513	-0.0699761139109	0.471741559285	-0.0579116082678	0.056113809068	0.37835608594	0.0569865360313	0.373955114896	92.2485846614	8.23595138552	-65.1185051048
4	6.16115500937	-0.092488678346	-0.238589122517	1.89518925849	-0.515499071664	1.35658610384	0.0509165133412	0.166679424983	0.135469116058	0.0176871559248	-0.0494397138812	0.0752746271408	0.185902357557	-0.186150317602	0.00269117583171	0.367144991228	-0.0464802804832	0.0393705010182	0.225725582468	-0.0289248568389	0.225325257455	80.5195389425	6.46780248497	-60.1136350692
5	5.45277699141	0.280346861615	-0.157018417181	2.94410841394	-0.491376134245	2.20363385825	-0.0474690406123	-1.06901707875	-0.178328083506	0.825215895481	0.135446210662	0.197225985524	0.110938232228	-0.29989679701	-0.0808593180133	0.629337663352	-0.0321019898412	0.0115505587957	0.457400737243	0.0165414168077	0.358946114771	74.9222722443	3.09314529045	-43.4222754804
6	4.51250263041	0.529285179698	1.4919335755	0.85906876282	0.403123498899	2.19908870508	-0.277341334424	-0.0452547234654	-0.249012158289	0.11101000744	0.193898451571	-0.0472989195584	0.183476149189	0.0668010490313	-0.0359905164354	0.578302138711	-0.0165113705384	0.0592069868627	0.296927034436	0.0595807906954	0.311246523661	87.9282618213	4.97359261784	-65.7349736945
7	4.96144554334	3.24639041843	-1.20349566242	5.62924116061	-3.00884122946	5.51729207136	-0.291327106885	-1.1774733048	-0.0213561410682	1.2378880803	0.136975190029	-0.424261101789	0.743626347344	0.67026716143	0.170057654866	0.866468337068	0.129381445398	-0.167664718726	0.423570164996	-0.0631045040032	0.42883260358	100.513842132	-16.6677553496	-27.9581737225
8	4.39722155876	-0.612970197639	-0.657649484801	4.83812632764	-1.44633136776	8.42134439616	-0.0473860422353	-0.204289154355	0.544530157555	0.930973912969	-0.081903785577	-0.318343510537	-0.64148299392	0.00389847033803	0.0868623211568	0.528120992662	0.0369562525916	-0.0696997798338	0.272303007999	-0.0704759775068	0.388795015539	99.2678144356	-9.57353676492	-39.2409549567
9	1.66135526199	0.396547822706	-1.40484872063	4.89753356676	-2.67122004126	5.76462496953	-0.106864371564	-0.31807297242	0.730678017344	1.09498721229	0.200528898956	0.284377973186	-0.445806618222	-0.0953222773152	-0.262456230633	0.860711488564	0.0549741970829	-0.00434353732492	0.379984234092	-0.0736858441262	0.504085730368	93.6985061584	-9.28190473838	-31.6956395029
10	2.25005871225	1.44485935102	-1.72386713317	5.41578465446	-4.9355301822	6.90656553323	-0.219461515385	-0.170871732864	0.142928393502	0.379318522985	0.0302911502252	-0.343315369407	0.0573959763553	0.0103642513975	0.106037348361	0.54796647445	0.0961623578647	-0.095847124345	0.323930260987	-0.0998712878251	0.362096618585	99.5022427542	-14.3851066216	-39.7931920202
11	2.81879034941	0.609472217508	-0.716724340144	6.60911219691	-2.27430238717	2.24175181419	-0.0419688074666	0.146442117888	-0.0370103980018	0.0218385172446	0.0999137324731	0.272765508545	-0.0446105492327	-0.576184281808	-0.0961095191307	0.387620607362	-0.0407988654419	0.029509702691	0.617370742505	-0.0546897521472	0.28237164143	94.0639525194	-48.7522389849	-19.9540171448
12	5.31541851537	-0.558076223842	1.90237354891	2.01914038581	-2.36525688067	5.67172050415	0.344169212061	0.556700366752	-0.279694092982	0.00312088534861	-0.210435170696	0.347970040498	-0.578869093995	-0.495243906646	-0.203871248904	0.443890194652	-0.0010544734095	-0.00345168596307	0.511767259387	-0.0358668935536	0.279173171486	94.3213986378	-42.3810648824	-23.4196231047
13	1.78048629401	0.201093770115	-0.277903057568	9.05250908332	-1.07837003029	2.5503542302	0.0196411420129	-0.287377918257	-0.0444543692715	0.491802851895	-0.0510481516481	-0.613479696001	-0.210751047686	0.0206861571171	0.0480100696499	0.42291856251	-0.0177682591109	-0.00947476508159	0.586904946781	-0.0110157554171	0.364539161286	98.1900522852	-52.1828251523	-17.3330770265
14	4.64873252777	0.923067286987	-1.65459560703	3.91255844269	-0.133027266224	4.3180352567	-0.213284247699	-0.585743929462	-0.579020495593	1.4277379299	0.0864639882814	-0.137404840736	1.04477479975	-0.470740422593	0.149235169854	0.883394929375	0.000803472484471	0.00419239631201	0.717724571751	0.136418536139	0.448644332379	95.2050738141	-50.2539670144	-10.2656117385
15	2.43148117397	-1.8035085975	1.94787563809	5.69457804546	-3.67809075946	4.09203762711	0.0877895240192	0.0898473066332	-0.231860775167	-0.7341190415	-0.137722705107	0.573642095287	0.400829170026	-0.190575476123	0.00395123926387	0.437298318963	-0.039255905859	0.0480653439649	0.326321864691	-0.102484944175	0.389764327129	93.0369908004	-31.4432522214	-54.8919323204
16	1.59260227273	-2.66362756661	2.36142524353	4.37622689729	-3.86241030944	3.36402513569	0.0118448568197	0.79923442032	0.139527219768	-0.349473209647	0.141299532371	-0.174390671662	-0.464815671511	0.0492277652442	0.425544379279	0.599947239607	0.00365501838107	-0.063572915943	0.550261319305	-0.0874236667527	0.390017619802	91.1233499891	-14.2151533447	-59.8100203387
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22	7.18207623762	1.6967935525	-3.49412005626	1.84588373143	-1.49709326198	4.6971219639	0.86309753748	0.640697110807	0.220881659956	-0.243330639579	-0.229854597627	0.412915641087	-0.196131027437	-0.2052022788	-0.284906841825	0.524254468669	0.0313554315719	0.0532418550989	0.230590612526	0.0100699113215	0.381381326472	86.7535446523	-47.3980146374	-37.3605255745
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33	5.35533035282	0.802890038584	0.409297125679	4.52872718191	-0.341394995886	8.30122872251	-0.161284940665	-0.693334551264	0.899567676369	0.482448574752	-0.239407616603	0.482587318436	-1.20853937637	-1.17170999238	0.333779356854	0.357682752977	0.0656567905432	0.0256057394119	0.458675581772	-0.0675739811253	0.483469178907	57.1981078216	68.9780374829	20.7415377948
34	6.05229397619	1.79139407016	0.47146012054	5.77238296695	0.119714111756	9.42859502494	0.2254210994	-0.98770384267	0.565071293637	1.09723322766	-0.261186232091	0.268690343967	-0.0697780886057	-0.413935084316	0.0305046015071	0.516462232541	0.0911099006508	-0.00670097771327	0.45343335212	-0.0758665194527	0.349984487922	61.5490114505	65.2772779503	28.4896846432
35	7.95422242775	5.6909202679	1.45299050189	9.82491423395	1.19999801236	6.1435228799	0.267940025749	-1.23866016608	0.219987990867	1.41267622559	-0.0234662571713	-0.165206410057	0.219108762901	-0.0935132532049	-0.25161788142	0.446224838127	0.131068335129	-0.0368600779611	0.556357689727	-0.00823409629467	0.314587841363	68.8033085011	58.9047857616	30.1414470391
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37	1.98588304762	0.528652562575	0.742132394926	2.01689591912	-1.10444325035	6.54550003375	0.0288011189011	0.0356162403982	0.183332716008	0.0502052093764	0.081269459748	0.153873250706	-0.129937746519	-0.293992392911	-0.0922510638592	0.262225414058	0.0415821585557	-0.0138379312702	0.192130509981	0.0118750293365	0.240306836753	57.0814398786	59.0242903295	11.047131346
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39	6.01825349844	0.854217919596	-1.12493525615	4.3496769896	-0.694864425853	1.32007276185	-0.0923300520209	1.33232384716	-0.347564817963	-1.10153672918	0.477725816423	0.880805939562	0.763064464541	-0.678729495427	-0.0827192363941	0.447125204513	0.00074421626976	-0.142044364206	0.566623800523	-0.0159971699323	0.486896284482	46.0961535844	52.1816531289	10.6173556609
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41	5.49849561096	0.113846769905	-1.30582185101	5.33337622876	-0.5221572477	2.44346135432	0.696876907187	-2.02855226728	1.03360194386	0.762231750394	-0.132186152322	-1.1272479455	-0.783470294006	0.648359509457	-0.0351447564499	0.589006758256	0.0033636012314	-0.123214515766	0.870963023676	-0.0778027459184	0.661848097391	75.4712820322	70.9295959835	30.9554770405
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45	8.33436447611	4.33780013635	-0.516166480538	4.79174263114	-1.78531162015	2.94513401905	-0.0496660339007	0.193370191158	1.01900307383	0.151371256318	0.0159992430051	1.13334159911	-0.464281607519	-0.170678809945	0.0213859317994	0.404391570563	0.0944385031882	-0.0067051603647	0.336460193357	-0.0158940366482	0.52338708514	69.921315806	97.188305028	13.1825601931
46	5.1788484552	3.81713509706	0.000517473096315	9.70875950556	-0.331955621275	3.53393295464	0.0959385814257	-0.188145695137	0.093712688531	0.526055030018	0.000978812017382	-0.571675992187	-0.324602871164	0.0942234840999	-0.0836666438863	0.285204894914	0.00289089471501	-0.0167494570672	0.360151447924	-0.0713896047996	0.333057637501	75.5741009527	88.448912772	18.1710910175
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50	5.20636976799	-1.8328708323	1.55151068291	4.1011550885	0.250643547831	9.25619516747	0.393183268525	1.20449486836	0.0596040664232	-1.17667287188	-0.546502342501	0.374208809727	0.411162318385	-0.42749760602	0.122559006324	0.763329813137	0.0327541975635	-0.0940107787919	0.676801456036	0.0353511214687	0.630840317071	77.2750890514	112.469988049	-23.5694552185
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65	2.16206343674	1.7718452858	-0.550723086617	8.85531263639	0.275933380016	3.89616425234	0.231221722911	-0.379563407249	0.0537096670539	0.37763704382	-0.0258501725645	-0.242654925512	-0.409097714859	0.0396605464997	-0.207684765264	0.331560337158	0.00322252304306	-0.0189520925663	0.453448555903	0.0474912583966	0.235806695415	27.2786362468	81.2275942318	-20.8345429467
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67	7.82084233635	0.200016034198	-3.7866647462	6.37335025698	1.01020407441	8.00788977272	0.661030056359	0.00116109937506	1.35030038823	0.732666948217	-0.326375837713	-1.20184614715	-0.836726297132	0.40189608673	-0.411801608842	0.690207058322	-0.143105004703	-0.209459385981	0.59075865553	0.16409875032	1.04611974367	54.6653177786	110.297153105	-38.2030860223
68	2.11539882101	0.357748702921	-1.50146927638	7.19188610237	-4.23261553264	6.87739443506	-0.0242059282774	0.363814897054	0.118618499423	-0.560191467489	0.0288819503128	-0.141639672847	-0.0488812298872	0.107222165931	-0.0148494652907	0.362243147681	-0.0730101935615	0.0107313301391	0.351881432729	-0.0031328691925	0.247744210273	34.401757631	74.6024902552	-40.3753432611
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71	6.17606429387	2.45481802995	-6.0565460351	2.04315895754	-1.73092293184	5.96527201934	-0.152133312161	0.858593327396	1.02299602423	-0.160626987175	0.329752056159	0.419281482449	-0.189019581463	-0.576578586473	-0.243872200751	0.424146246252	0.00968080613819	-0.146612188239	0.537424353704	0.0539997972722	0.335060838781	9.0458759338	56.3572611773	11.9855210399
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73	6.09347052684	-3.03238831081	-5.74523111155	3.64483896724	3.48608978416	2.74498221753	-0.368946943248	-0.352551514972	0.0141813922385	-0.317429942104	0.433122481722	-0.161008606794	0.0524202524491	0.598135229358	0.00157776062594	0.482963778596	-0.0751180359279	-0.112682068899	0.345127390055	0.130929280065	0.337986901998	20.8429389467	46.0246944702	-0.644018397944
74	8.15861369952	6.08706486381	4.78233778691	6.30673697484	4.76438201165	6.76035315905	-0.123791721765	-0.651999876201	-0.404865806653	0.068387787987	0.202479096841	-0.477669151165	-0.294051496312	0.0691573620415	-0.101557546187	0.507181453809	0.12642057607	0.0533893505286	0.613629749919	0.12724574718	0.277731168684	18.9949173443	63.5984036883	35.2650534533
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76	6.09975657885	4.75964280348	4.57251013131	8.24633059049	5.09254802931	8.3987350352	0.166332557174	-0.592194768506	-0.8090473548	0.343582765495	0.0625291505254	-0.260446363623	1.24357772692	-0.239033383013	-0.248729719362	0.571086532653	-0.0105588141755	-0.0174132017619	0.406342365875	0.13709114741	0.41034968804	29.2261950401	32.7209884348	15.3806751625
77	6.71499181467	0.444664606233	1.45775414056	7.11344999097	2.97923237349	6.99546770693	-0.00622333360344	0.52623900893	-0.869825373743	-0.695820846642	0.100606516245	0.0603887476761	-0.164939926668	-0.200765237647	-0.045842298349	0.360683297618	0.0134930684094	0.020190538862	0.410707299888	-0.0231046582093	0.321101388425	24.8162701898	35.4878690231	4.51817913321
78	6.86053833429	-0.424909859665	0.549390928377	7.82898212008	3.80546899123	7.79804671254	-0.115675471851	0.400101467106	0.220671461914	-0.853543669884	0.188973993252	-0.621810996417	-0.806836467859	0.348306685794	-0.0314731800901	0.431257182961	0.0152359467274	-0.0143332215853	0.309369830013	0.0694837555587	0.345503111978	32.125854142	44.9083786755	6.82715831341
79	6.40273556051	-0.725176604628	1.46686337973	6.25966244499	3.46575398975	8.42852949782	-0.263206052447	0.157961063764	-0.326833834417	0.128035018717	0.309515339065	-0.353153669256	0.213062579946	0.580714759825	-0.0350220602262	0.385219866074	0.0287915699269	-0.0262897351635	0.337910031117	0.11601998783	0.371097571223	32.0337916139	37.6277593969	11.5689432257
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81	5.53778169097	-2.37612932785	-4.1772834518	5.49133365151	3.05661903689	6.95588085636	0.121772668362	-0.262821836021	0.0576219266284	0.257649685579	-0.292964917533	0.141340272771	-0.197748485301	-0.391777998555	0.158798027306	0.337085510274	0.0194686081367	-0.136558904046	0.466415316187	0.00346173745977	0.298932514355	24.3064846359	56.9394056544	42.7880282645
82	4.02549058248	-0.573526133661	-0.518452773003	3.82920208133	1.03745962118	5.32731578604	-0.0942471395577	-1.05813184718	-0.488307441623	1.06493344488	-0.262455065433	-0.442485121561	0.315193370906	-0.293291209667	0.0391752300666	0.648842202308	0.0419592098096	-0.0700911656841	0.700736809332	0.218893545404	0.4462094483	19.0906657496	50.9206112514	47.6832720031
83	5.56711955953	-2.38606828313	-0.381501914288	3.45653060538	0.109614218406	1.42641218894	-0.25413176832	-1.0522098389	0.192370414873	0.642064075895	0.373852697331	-0.0645322106571	0.345999479496	0.169873008833	-0.0907105190933	0.485676644378	-0.00483093831617	-0.127857157092	0.537330422917	0.00452387864049	0.326722632154	24.0794671981	55.0597734617	42.9207788525
84	4.87041981751	-2.19097359123	-1.8235692697	1.743275615	-0.354799700987	5.63894660539	-0.337898587193	-0.51828926502	0.638093366852	1.04594035989	0.342745665298	-0.537179343966	0.0744560255597	0.109768272163	-0.287324983401	0.630979943988	-0.0496837365987	-0.257404308186	0.620071354038	-0.0594903496647	0.505279468756	30.8877187465	58.1179144264	50.0199414974
85	5.51078693569	1.86447158884	-0.619087945524	1.89402245874	1.28216831887	3.06500893503	0.844955028955	-0.628771317674	0.82797608991	0.535345043984	0.154666980437	0.605639559522	-1.41595505179	-1.15546531746	-0.994643248435	1.20782271131	0.28434648258	0.51117192353	0.777516128114	0.255231691054	0.966760379339	43.9664730477	16.6415152244	-38.3395249003
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88	7.02725672161	4.82085296262	3.25183139033	8.42279210856	1.09976262689	2.88670831899	0.606554146762	0.879730711068	1.01880695568	0.0896623157839	0.191551652178	0.354670926242	-0.80860116245	-0.187520567218	-0.773067393986	0.60045300862	0.203827877392	0.252101200849	0.48279261429	0.145501098227	0.63436828178	49.356566406	13.9797955626	-51.9814377015
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91	4.34575372895	-1.39616871525	0.68464743845	2.61268312797	-0.173068119255	1.94781777714	-0.0174256824287	-0.0704766310249	0.529474392939	0.250151890642	0.0872574361736	-0.195757257631	-0.391537564529	-0.0505866831931	-0.176535326293	0.503986339791	0.0968561169085	0.142824564535	0.293113270948	0.0682523386779	0.469292618266	62.5285419024	8.52759911102	-49.5911559504
92	7.82604092045	-0.684124219958	1.58921914403	1.36651540047	-1.8580171434	2.94590415817	0.310881611603	0.152466580293	-1.60514867725	0.271598256442	0.0662926279021	0.776782539923	0.365930873434	-0.127377628835	-0.407672424737	0.510021408669	-0.0649875382713	-0.00308369359508	0.366190925055	0.0081685005951	0.712626558577	56.7994256901	-3.75443640037	-54.8207830018
93	6.23138811036	-2.01322299339	-0.637327654456	5.82302813601	-0.231906000573	7.06844300667	0.131976786716	-0.106903308802	-1.02511593594	0.0103026573021	-0.201807597731	0.0896103156832	0.47405466412	0.535601727015	-0.054596513135	0.387720297444	-0.00748310303325	0.0227572193759	0.382274639655	0.0514948275045	0.51343558612	68.3889911866	-3.58493180149	-54.0125539284
94	3.07918161976	2.42046915786	-0.0495056417909	7.95865262005	-6.226930465	6.11666213938	0.875584230471	1.15562912177	0.759157025211	-0.225381533313	-0.671403368119	-0.483235159469	-0.407400899498	0.795930083958	-0.291143715814	0.702638858346	0.00679978440819	0.320158680223	0.571201950436	-0.0168143750737	0.79639167858	64.5416062856	20.6221430938	-51.3268328169
95	4.72358784871	4.54325846137	1.69257908916	4.9136246076	2.34352884069	2.71628854724	-0.117689330319	0.186768830674	0.93028105364	0.122029287222	0.50559244712	0.893216282484	-0.63842796443	-0.505786518012	-0.412792894409	0.779769013973	0.187847354116	0.284264011818	0.566632441017	0.32615210783	0.804498861565	45.2804319497	15.8399324729	-48.7812412763
96	4.37933076189	1.09424163944	-3.39821923851	5.43903258349	3.28814585419	6.20257274503	-0.555655864655	-0.129350412781	-0.0430842688245	1.06041783839	0.0138537313056	3.36935102807	-0.220774760321	-1.04615596668	0.523791390871	0.806768852337	0.261288400018	0.195828160917	1.02403954594	0.407093482611	1.42807129459	25.8061827931	11.2548757074	-45.319490571
97	3.15373938839	0.603003021041	-1.11748737913	7.70126011238	-0.601536443971	6.68994304445	-0.193014320184	0.665716766554	-0.146859297993	-0.340584874873	0.421625632854	0.461760369799	0.583724171371	-0.676003909404	-0.217701217062	0.424426476744	-0.0754115672952	0.0142658010949	0.593245304987	0.079508511771	0.566516692442	37.2273534219	-16.1768683458	-50.768092501
98	4.35202363911	-0.970053360027	1.86015889477	3.56341885083	-0.403899732035	8.57528984466	0.333888036708	-0.0935873531122	-0.877191467777	0.0583693170248	-0.0269146652962	-0.67667010593	0.971658314376	0.178884754985	-0.337822183767	0.593770750363	-0.0124979796243	-0.0315918269447	0.492291397442	0.105025167589	1.12177686785	51.7585791671	-43.5896795842	-20.6351644278
99	2.52477175009	4.1157022517	-0.157650247453	9.68426541991	-3.92187976329	4.70684553539	-0.133096679441	-0.355520082664	-0.639100087413	0.656683809834	-0.195033850333	-0.160155391884	0.679721568124	0.513375824176	0.286605490303	0.726075804543	0.148519407048	0.055217065388	0.48277002188	0.0902140184091	0.446616147749	35.456116609	-11.6572294142	-23.7701458485
100	1.31002652375	2.10242611955	-1.24181278301	3.51054166634	-2.60090344423	3.0697523318	0.0331153569738	0.0816329965446	0.346780354826	0.553559047562	0.332743585182	0.609830672386	-0.261790786719	-0.594327410371	-0.440880226513	0.567755415236	0.104939874271	0.208502243971	0.459401787585	0.115509664245	0.755704149362	33.9514960568	-11.0450168213	-29.6371167503
101	1.51890153727	1.45167937908	-0.382316734235	2.41431505197	-1.31469804338	2.88323941326	0.138689830938	-0.0589947235907	-1.05180158656	-0.398705326622	-0.486752924149	-1.31609584266	0.58038483692	0.784475582585	0.569085264494	0.724231340525	0.0283428659624	0.105347807794	0.711733396757	0.268169941149	1.60857092155	57.699921437	-34.5655026207	-21.7219312433
102	5.03371921811	-2.12248795129	-0.688695285666	1.4623458521	0.488020265917	2.46002005776	0.305939716421	0.130543331253	0.686461515322	0.222847162409	-0.0527302144292	-0.783391308964	-0.151977302942	0.319941971515	-0.208745380032	0.70331143951	0.0473771355336	0.0602964038775	0.49734176484	0.205153707122	1.16752648114	47.8535807335	-24.7213566839	-21.8960250628
103	4.94523849134	-2.38279106777	-0.581100827346	1.4921200902	0.399109028304	2.55009931672	0.233517461316	0.0906087423747	0.811052725749	0.0326141291024	-0.0520557662165	-0.84541385289	-0.565732219825	0.486527376008	-0.272042539362	0.704743846143	-0.0803189616145	0.115330963992	0.646075625994	0.217015744615	1.38806525826	57.0170826038	-25.1371038872	-19.1737659608
104	2.12796564084	-0.328966892401	-1.31160587246	1.09480135149	0.922189669065	6.77516661696	-0.0420415917862	-0.0102204870748	-0.439564918766	0.0150680933301	0.197104572555	0.808736519247	-0.434043668912	-1.19395050479	-0.124274526116	0.507296757576	0.119030720455	0.0328313423016	0.668031902385	0.219496920216	0.882596606921	38.4601027945	14.6729901649	-81.3336976247
105	1.61998878342	-1.72742458198	-2.65645108429	2.28353470777	1.71986996536	6.16490264938	-0.133368866573	-0.113373635109	-0.274779654377	0.262249020022	0.0829162716082	0.533354589158	-0.189545394421	-0.171803023284	0.0531045350345	0.359455726304	-0.0146183004231	0.0646431822749	0.539964007666	0.203475650874	0.827592744546	47.1760990976	13.53236402	-83.7607758977
106	0.595919676401	-1.20316648826	-1.08408349979	4.12870639454	0.352295359237	4.61855183038	-0.427658843775	0.438030401039	0.606638860716	0.103351040629	-0.0363485402444	-1.2676263031	0.720668286066	1.06301365328	0.362499981363	0.679779811544	0.0295185361866	-0.00089029212751	0.702011130559	-0.104014626404	1.01292117492	75.1587192419	-0.492470053686	-99.0745832549
107	2.84077686976	-0.403524238405	0.683212686049	6.41527060997	-1.24370196855	5.98046598614	0.173509412894	0.194913499958	-0.629094625539	-0.0309811834049	0.155340818377	0.218222091047	0.559294535683	-0.17973823155	-0.315710406704	0.340456811641	-0.0746366523365	-0.0455630080557	0.386325904326	-0.0455294558818	0.514522194225	62.3979455214	0.969419771475	-95.6957572736
108	5.58436621989	-5.92211989139	-0.799380952421	6.50825463217	0.176282650733	4.44019881814	-0.0245977826392	-0.0439933240102	0.905952005271	-0.0192262987647	0.209637489482	0.0590435225803	-1.07189427493	-0.200034066376	-0.134070941271	0.910754296622	0.00272495363835	-0.0106979923165	0.430472932581	0.0796358232745	0.589269872528	59.8205891934	32.8525587736	-79.2213328131
109	9.47206592673	0.525983477339	-1.88683255908	4.02181571843	1.40096355428	9.45694269501	-0.402948035799	-0.746547016141	-0.106898572156	0.525534624836	0.269984761221	0.499572922939	-0.3818487164	-0.409232370068	0.213534728016	0.631242856697	0.0514604973195	0.0577661960658	0.393835269519	0.052866851964	0.460141864099	52.4885171741	25.1815497256	-74.8082070431
110	8.06711527606	-0.684154343643	-1.60826304359	2.89562564235	2.58314442108	2.43562427681	-0.830649361261	-1.51785508125	-0.316256259504	1.40454396095	0.589416551585	0.140594698392	-0.158858772694	0.140168969156	0.258088891221	0.847625081864	0.156602595475	0.0605763876285	0.697271184316	0.0853137485158	0.514983867207	57.6475200795	26.1562774409	-66.9906777551
111	9.21911979459	-8.31823635963	-8.24662837121	9.60293184115	7.87563770661	8.50062266896	-0.965699945542	-0.640446870455	-1.01129237503	0.857933618319	0.46711387597	0.827617713048	-0.00468096565171	0.253771246215	0.501599405501	0.5635726041	-0.0137917146791	0.000105654665244	0.536841888277	0.149125197493	0.493268218915	64.607040656	26.6813084093	-74.7474381916
112	3.21480597866	3.5048609527	0.451133336168	7.72483119447	-0.333785930289	9.80855210619	-0.0317966767182	0.20784106268	0.696735987828	0.666846503962	-0.0507384874195	1.2751428552	-1.20865060002	-1.67266713216	0.121137396893	0.712895604655	0.192782310336	0.0941671961592	0.605463809495	0.0744134437121	0.635573416745	48.0680385027	27.3712724287	-77.187980821
113	1.94545655903	-1.12393665097	-1.60953843704	2.71022120027	1.32679124071	5.7267906483	0.347376982766	0.560045793318	0.880655860485	-0.33611065488	0.352762652891	-0.362063126155	-0.866572325083	0.510591519729	-0.590178737802	0.528165389588	-0.17262446235	0.0524274781262	0.435714110965	-0.0473974979734	0.663258225078	73.0002407185	22.9667630957	-86.9357000671
114	3.31721209568	-1.33715586306	-0.589162586156	2.74292930458	1.09537776631	6.24604467538	0.277723213951	0.456226951725	-0.843168813619	-0.554861229598	0.0579940588457	-0.0262916651622	1.13982707763	-0.340367490405	-0.136625438124	0.72290779675	-0.187754846801	0.00460605234992	0.640349456789	-0.0929708219302	0.717605815293	69.6619781099	-0.0279148381518	-107.329760698
115	2.17406958206	-0.736229224845	-1.43522762519	4.2292079145	3.00434158197	3.67282571541	-0.141921653252	0.560926656707	0.369894672015	-0.524060451679	0.468145047214	-0.118219206766	-0.4789384017	-0.123080647553	-0.340664738859	0.439690609624	-0.144871515078	-0.0111247125035	0.527703689434	-0.0750684212649	0.651625151509	73.3945996201	13.9672062123	-102.678214602
116	3.29005706191	0.481848790474	1.75013231423	2.39460986145	-0.557299411577	2.0185501469	-0.201166594455	0.215756188316	0.00372926271811	-0.39203342759	0.000997214382105	-0.264088231644	-0.414261067323	0.412261364502	0.198171596197	0.523022569863	-0.105004792478	0.0782813934796	0.557243341426	0.0389008389945	0.558031436956	70.4623219499	15.2203026152	-99.9028907477
117	3.9064455586	0.727788489886	0.058809492192	4.99978228831	2.78158322382	7.99311884982	-0.00128911758884	0.907899073803	-1.0313842784	-1.13566561517	0.590660270962	-0.0906167311985	-0.183483529577	-0.255459499633	-0.409844611378	0.560184671169	-0.140090919713	0.0114473001844	0.831450455643	-0.0929132826405	0.558123837366	68.2732213331	5.60879537677	-114.252893418
118	5.84541732789	3.78352707503	2.76706008371	4.84151531858	3.22555206718	2.86705553744	-0.328763276442	1.21817615775	0.198427667957	-0.391625215254	0.751781829288	0.0589595214692	-0.341241386353	0.888983576509	-0.486771788119	0.551980449032	-0.205497813507	0.138672915359	0.74624507588	-0.0906690822102	0.659424864642	80.2619409295	13.6619993864	-107.122356959
119	6.529023921	1.89111166933	6.80037043202	2.08754403735	1.77237882815	7.0904970937	0.728751083122	-0.0536905090777	-0.939743686058	-0.484304222716	0.726275376536	-1.50647965107	1.18534993128	1.39093766544	-1.43525820775	0.608034494713	-0.0213727568498	0.130630233893	0.897017973324	-0.2555260441	0.948835580481	79.8344609634	1.71830922834	-110.532215323

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 333 through 353 )	A	A	333 - 353	1 - 21
2	2	chain 'A' and (resid 354 through 364 )	A	A	354 - 364	22 - 32
3	3	chain 'A' and (resid 365 through 421 )	A	A	365 - 421	33 - 89
4	4	chain 'A' and (resid 422 through 459 )	A	A	422 - 459	90 - 127
5	5	chain 'A' and (resid 460 through 494 )	A	A	460 - 494	128 - 162
6	6	chain 'A' and (resid 495 through 527 )	A	A	495 - 527	163 - 195
7	7	chain 'O' and (resid 1 through 17 )	O	C	1 - 17	1 - 17
8	8	chain 'O' and (resid 18 through 60 )	O	C	18 - 60	18 - 60
9	9	chain 'O' and (resid 61 through 91 )	O	C	61 - 91	61 - 91
10	10	chain 'O' and (resid 92 through 135 )	O	C	92 - 135	92 - 135
11	11	chain 'O' and (resid 136 through 173 )	O	C	136 - 173	136 - 173
12	12	chain 'O' and (resid 174 through 193 )	O	C	174 - 193	174 - 193
13	13	chain 'O' and (resid 194 through 219 )	O	C	194 - 219	194 - 219
14	14	chain 'O' and (resid 220 through 230 )	O	C	220 - 230	220 - 230
15	15	chain 'P' and (resid 1 through 23 )	P	D	1 - 23	1 - 23
16	16	chain 'P' and (resid 24 through 35 )	P	D	24 - 35	24 - 35
17	17	chain 'P' and (resid 36 through 63 )	P	D	36 - 63	36 - 63
18	18	chain 'P' and (resid 64 through 94 )	P	D	64 - 94	64 - 94
19	19	chain 'P' and (resid 95 through 110 )	P	D	95 - 110	95 - 110
20	20	chain 'P' and (resid 111 through 125 )	P	D	111 - 125	111 - 125
21	21	chain 'P' and (resid 126 through 141 )	P	D	126 - 141	126 - 141
22	22	chain 'P' and (resid 142 through 154 )	P	D	142 - 154	142 - 154
23	23	chain 'P' and (resid 155 through 177 )	P	D	155 - 177	155 - 177
24	24	chain 'P' and (resid 178 through 191 )	P	D	178 - 191	178 - 191
25	25	chain 'P' and (resid 192 through 213 )	P	D	192 - 213	192 - 213
26	26	chain 'D' and (resid 1 through 124 )	D	E	1 - 124	1 - 124
27	27	chain 'D' and (resid 125 through 149 )	D	E	125 - 149	125 - 149
28	28	chain 'D' and (resid 150 through 229 )	D	E	150 - 229	150 - 229
29	29	chain 'F' and (resid 1 through 90 )	F	F	1 - 90	1 - 90
30	30	chain 'F' and (resid 91 through 128 )	F	F	91 - 128	91 - 128
31	31	chain 'F' and (resid 129 through 150 )	F	F	129 - 150	129 - 150
32	32	chain 'F' and (resid 151 through 215 )	F	F	151 - 215	151 - 215
33	33	chain 'B' and (resid 333 through 353 )	B	G	333 - 353	1 - 21
34	34	chain 'B' and (resid 354 through 375 )	B	G	354 - 375	22 - 43
35	35	chain 'B' and (resid 376 through 393 )	B	G	376 - 393	44 - 61
36	36	chain 'B' and (resid 394 through 421 )	B	G	394 - 421	62 - 89
37	37	chain 'B' and (resid 422 through 459 )	B	G	422 - 459	90 - 127
38	38	chain 'B' and (resid 460 through 494 )	B	G	460 - 494	128 - 162
39	39	chain 'B' and (resid 495 through 506 )	B	G	495 - 506	163 - 174
40	40	chain 'B' and (resid 507 through 516 )	B	G	507 - 516	175 - 184
41	41	chain 'B' and (resid 517 through 527 )	B	G	517 - 527	185 - 195
42	42	chain 'C' and (resid 1 through 67 )	C	I	1 - 67	1 - 67
43	43	chain 'C' and (resid 68 through 150 )	C	I	68 - 150	68 - 150
44	44	chain 'C' and (resid 151 through 230 )	C	I	151 - 230	151 - 230
45	45	chain 'E' and (resid 1 through 23 )	E	J	1 - 23	1 - 23
46	46	chain 'E' and (resid 24 through 77 )	E	J	24 - 77	24 - 77
47	47	chain 'E' and (resid 78 through 109 )	E	J	78 - 109	78 - 109
48	48	chain 'E' and (resid 110 through 154 )	E	J	110 - 154	110 - 154
49	49	chain 'E' and (resid 155 through 177 )	E	J	155 - 177	155 - 177
50	50	chain 'E' and (resid 178 through 191 )	E	J	178 - 191	178 - 191
51	51	chain 'E' and (resid 192 through 213 )	E	J	192 - 213	192 - 213
52	52	chain 'G' and (resid 1 through 33 )	G	K	1 - 33	1 - 33
53	53	chain 'G' and (resid 34 through 92 )	G	K	34 - 92	34 - 92
54	54	chain 'G' and (resid 93 through 124 )	G	K	93 - 124	93 - 124
55	55	chain 'G' and (resid 125 through 149 )	G	K	125 - 149	125 - 149
56	56	chain 'G' and (resid 150 through 229 )	G	K	150 - 229	150 - 229
57	57	chain 'H' and (resid 1 through 38 )	H	L	1 - 38	1 - 38
58	58	chain 'H' and (resid 39 through 90 )	H	L	39 - 90	39 - 90
59	59	chain 'H' and (resid 91 through 115 )	H	L	91 - 115	91 - 115
60	60	chain 'H' and (resid 116 through 215 )	H	L	116 - 215	116 - 215
61	61	chain 'K' and (resid 333 through 393 )	K	M	333 - 393	1 - 61
62	62	chain 'K' and (resid 394 through 409 )	K	M	394 - 409	62 - 77
63	63	chain 'K' and (resid 410 through 494 )	K	M	410 - 494	78 - 162
64	64	chain 'K' and (resid 495 through 527 )	K	M	495 - 527	163 - 195
65	65	chain 'L' and (resid 1 through 122 )	L	O	1 - 122	1 - 122
66	66	chain 'L' and (resid 123 through 158 )	L	O	123 - 158	123 - 153
67	67	chain 'L' and (resid 159 through 229 )	L	O	159 - 229	154 - 224
68	68	chain 'M' and (resid 1 through 110 )	M	P	1 - 110	1 - 110
69	69	chain 'M' and (resid 111 through 177 )	M	P	111 - 177	111 - 177
70	70	chain 'M' and (resid 178 through 210 )	M	P	178 - 210	178 - 210
71	71	chain 'N' and (resid 1 through 17 )	N	Q	1 - 17	1 - 17
72	72	chain 'N' and (resid 18 through 104 )	N	Q	18 - 104	18 - 104
73	73	chain 'N' and (resid 105 through 124 )	N	Q	105 - 124	105 - 124
74	74	chain 'N' and (resid 125 through 149 )	N	Q	125 - 149	125 - 149
75	75	chain 'N' and (resid 150 through 229 )	N	Q	150 - 229	150 - 229
76	76	chain 'Q' and (resid 1 through 25 )	Q	R	1 - 25	1 - 25
77	77	chain 'Q' and (resid 26 through 38 )	Q	R	26 - 38	26 - 38
78	78	chain 'Q' and (resid 39 through 61 )	Q	R	39 - 61	39 - 61
79	79	chain 'Q' and (resid 62 through 90 )	Q	R	62 - 90	62 - 90
80	80	chain 'Q' and (resid 91 through 113 )	Q	R	91 - 113	91 - 113
81	81	chain 'Q' and (resid 114 through 150 )	Q	R	114 - 150	114 - 150
82	82	chain 'Q' and (resid 151 through 163 )	Q	R	151 - 163	151 - 163
83	83	chain 'Q' and (resid 164 through 198 )	Q	R	164 - 198	164 - 198
84	84	chain 'Q' and (resid 199 through 215 )	Q	R	199 - 215	199 - 215
85	85	chain 'T' and (resid 333 through 349 )	T	S	333 - 349	1 - 17
86	86	chain 'T' and (resid 350 through 364 )	T	S	350 - 364	18 - 32
87	87	chain 'T' and (resid 365 through 393 )	T	S	365 - 393	33 - 61
88	88	chain 'T' and (resid 394 through 409 )	T	S	394 - 409	62 - 77
89	89	chain 'T' and (resid 410 through 421 )	T	S	410 - 421	78 - 89
90	90	chain 'T' and (resid 422 through 442 )	T	S	422 - 442	90 - 110
91	91	chain 'T' and (resid 443 through 459 )	T	S	443 - 459	111 - 127
92	92	chain 'T' and (resid 460 through 479 )	T	S	460 - 479	128 - 147
93	93	chain 'T' and (resid 480 through 494 )	T	S	480 - 494	148 - 162
94	94	chain 'T' and (resid 495 through 506 )	T	S	495 - 506	163 - 174
95	95	chain 'T' and (resid 507 through 516 )	T	S	507 - 516	175 - 184
96	96	chain 'T' and (resid 517 through 527 )	T	S	517 - 527	185 - 195
97	97	chain 'W' and (resid 1 through 128 )	W	U	1 - 128	1 - 128
98	98	chain 'W' and (resid 129 through 230 )	W	U	129 - 230	129 - 230
99	99	chain 'X' and (resid 1 through 17 )	X	V	1 - 17	1 - 17
100	100	chain 'X' and (resid 18 through 125 )	X	V	18 - 125	18 - 125
101	101	chain 'X' and (resid 126 through 143 )	X	V	126 - 143	126 - 143
102	102	chain 'X' and (resid 144 through 175 )	X	V	144 - 175	144 - 175
103	103	chain 'X' and (resid 176 through 210 )	X	V	176 - 210	176 - 210
104	104	chain 'Y' and (resid 1 through 104 )	Y	W	1 - 104	1 - 104
105	105	chain 'Y' and (resid 105 through 139 )	Y	W	105 - 139	105 - 139
106	106	chain 'Y' and (resid 140 through 158 )	Y	W	140 - 158	140 - 158
107	107	chain 'Y' and (resid 159 through 229 )	Y	W	159 - 229	159 - 229
108	108	chain 'Z' and (resid 1 through 25 )	Z	X	1 - 25	1 - 25
109	109	chain 'Z' and (resid 26 through 48 )	Z	X	26 - 48	26 - 48
110	110	chain 'Z' and (resid 49 through 69 )	Z	X	49 - 69	49 - 69
111	111	chain 'Z' and (resid 70 through 83 )	Z	X	70 - 83	70 - 83
112	112	chain 'Z' and (resid 84 through 101 )	Z	X	84 - 101	84 - 101
113	113	chain 'Z' and (resid 102 through 113 )	Z	X	102 - 113	102 - 113
114	114	chain 'Z' and (resid 114 through 128 )	Z	X	114 - 128	114 - 128
115	115	chain 'Z' and (resid 129 through 150 )	Z	X	129 - 150	129 - 150
116	116	chain 'Z' and (resid 151 through 174 )	Z	X	151 - 174	151 - 174
117	117	chain 'Z' and (resid 175 through 188 )	Z	X	175 - 188	175 - 188
118	118	chain 'Z' and (resid 189 through 204 )	Z	X	189 - 204	189 - 204
119	119	chain 'Z' and (resid 205 through 215 )	Z	X	205 - 215	205 - 215

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