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- PDB-8upp: Campylobacter jejuni ketol-acid reductoisomerase in complex with ... -

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Open data

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Basic information

Entry

Database: PDB / ID: 8upp

Title

Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704

Components

Ketol-acid reductoisomerase

Keywords

OXIDOREDUCTASE / Inhibitor / Biofuel / Enzyme

Function / homology

Function and homology information

ketol-acid reductoisomerase (NADP+) / ketol-acid reductoisomerase activity / L-valine biosynthetic process / isoleucine biosynthetic process / isomerase activity / NADP binding / magnesium ion binding / cytosol
Similarity search - Function

Biological species

Campylobacter jejuni (Campylobacter)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.78 Å

Authors

Lin, X. / Lv, Y. / Lonhienne, T. / Guddat, L.W.

Funding support

Australia, 1items

Citation

Journal: Acs Catalysis / Year: 2024
Title: Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Authors: Lin, X. / Lonhienne, T. / Lv, Y. / Kurz, J. / McGeary, R. / Schenk, G. / Guddat, L.W.

History

Deposition	Oct 23, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 24, 2024	Provider: repository / Type: Initial release

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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	8upp.cif.gz	1.8 MB	Display	PDBx/mmCIF format
PDB format	pdb8upp.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	8upp.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8upp_validation.pdf.gz	8.4 MB	Display	wwPDB validaton report
Full document	8upp_full_validation.pdf.gz	8.6 MB	Display
Data in XML	8upp_validation.xml.gz	105.8 KB	Display
Data in CIF	8upp_validation.cif.gz	152.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/up/8upp ftp://data.pdbj.org/pub/pdb/validation_reports/up/8upp	HTTPS FTP

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Related structure data

Related structure data	7latC 8swmC 8sxdC 8upnC 8upqC 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	#228 - Dec 2018 Directed Evolution of Enzymes similarity (10) #111 - Mar 2009 Hydrogenase similarity (1) #127 - Jul 2010 Crystallins similarity (1) #34 - Oct 2002 Dihydrofolate Reductase similarity (1) #57 - Sep 2004 Catalase similarity (1)

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Assembly

Deposited unit

B: Ketol-acid reductoisomerase

H: Ketol-acid reductoisomerase

K: Ketol-acid reductoisomerase

I: Ketol-acid reductoisomerase

D: Ketol-acid reductoisomerase

G: Ketol-acid reductoisomerase

J: Ketol-acid reductoisomerase

E: Ketol-acid reductoisomerase

L: Ketol-acid reductoisomerase

C: Ketol-acid reductoisomerase

F: Ketol-acid reductoisomerase

A: Ketol-acid reductoisomerase

hetero molecules

442 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	111.947, 111.954, 111.944
Angle α, β, γ (deg.)	110.910, 107.730, 109.760
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

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Components

#1: Protein	Ketol-acid reductoisomerase Mass: 35868.223 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Campylobacter jejuni (Campylobacter) / Gene: ilvC, CW563_00670 / Production host: Escherichia coli (E. coli) References: UniProt: A0A5T0UG45, ketol-acid reductoisomerase (NADP+)
#2: Chemical	... ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-NDP / NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Mass: 745.421 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₁H₃₀N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-X9W / (2R)-(dimethylphosphoryl)(hydroxy)acetic acid Mass: 152.086 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₄H₉O₄P / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1626 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.51 Å³/Da / Density % sol: 50.96 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.2 M NH4I, 20% PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 210r / Detector: CCD / Date: May 10, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.78→34.35 Å / Num. obs: 372120 / % possible obs: 93.29 % / Redundancy: 12.3 % / B_iso Wilson estimate: 19.53 Å² / CC_1/2: 0.765 / Net I/σ(I): 20.3
Reflection shell	Resolution: 1.78→3.85 Å / Num. unique obs: 31881 / CC_1/2: 0.794

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data reduction
XDS		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.78→34.35 Å / SU ML: 0.2925 / Cross valid method: FREE R-VALUE / σ(F): 0.09 / Phase error: 33.21
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2984	1907	0.51 %
R_work	0.2644	370213	-
obs	0.2646	372120	93.29 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 25.65 Å²

Refinement step

Cycle: LAST / Resolution: 1.78→34.35 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29916	0	708	1626	32250

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0087	31176
X-RAY DIFFRACTION	f_angle_d	0.9748	42180
X-RAY DIFFRACTION	f_chiral_restr	0.0569	4752
X-RAY DIFFRACTION	f_plane_restr	0.007	5400
X-RAY DIFFRACTION	f_dihedral_angle_d	9.1765	4320

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 (%)
1.78-1.83	0.3939	118	0.3283	22282	X-RAY DIFFRACTION	78.57
1.83-1.88	0.3037	126	0.3155	23937	X-RAY DIFFRACTION	84.71
1.88-1.93	0.4147	111	0.2953	24887	X-RAY DIFFRACTION	87.52
1.93-1.99	0.321	129	0.2924	25397	X-RAY DIFFRACTION	89.61
1.99-2.07	0.311	129	0.2807	26194	X-RAY DIFFRACTION	92.43
2.07-2.15	0.2947	142	0.274	26763	X-RAY DIFFRACTION	94.26
2.15-2.25	0.3478	135	0.2717	26983	X-RAY DIFFRACTION	95.25
2.25-2.36	0.3186	143	0.2698	27128	X-RAY DIFFRACTION	95.91
2.36-2.51	0.3059	130	0.2703	27379	X-RAY DIFFRACTION	96.51
2.51-2.71	0.2862	139	0.2644	27527	X-RAY DIFFRACTION	97.06
2.71-2.98	0.3412	145	0.2738	27680	X-RAY DIFFRACTION	97.71
2.98-3.41	0.3176	136	0.2683	27960	X-RAY DIFFRACTION	98.37
3.41-4.29	0.3032	161	0.2407	28057	X-RAY DIFFRACTION	98.95
4.29-34.35	0.2267	163	0.2419	28039	X-RAY DIFFRACTION	99.18

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	0.791927256595	-0.142804448912	-0.0687452006428	0.450499177342	0.0275550393359	1.82198768477	-0.0456824424034	-0.118642378614	-0.12624155518	0.15304880582	-0.0384205050002	0.358609099178	0.28149248292	-0.786448882979	0.120536664441	0.184218199327	-0.0364010927951	-0.00422382779492	0.47077181608	-0.00996269724375	0.343320770785	-45.494	-32.311	-17.745
2	0.608137915592	-0.522116042865	0.699209403496	1.94976329419	-0.199090040436	1.88209565313	-0.080680871888	0.00664409164063	-0.101332002403	0.0337657278489	0.258955586209	-0.0215083967707	0.459923886212	0.322146556603	-0.0416836790038	0.376132304399	-0.0476581592454	-0.0118534703752	0.26318605178	-0.0706473690803	0.278979992868	-33.534	-41.57	-25.033
3	1.21215431591	-0.102092409164	0.332431314337	0.826579389839	-0.300922738723	2.00445566693	0.0520236238279	-0.0297231553752	-0.0623022566297	-0.208314234844	0.00690832134835	0.115073815141	0.152437414999	-0.145306934479	-0.00905988362027	0.18979379733	-0.0190885135192	-0.034691032265	0.24940826023	-0.035417814808	0.219352855347	-37.57	-28.611	-23.993
4	0.661044078763	-0.17395980798	0.468728344311	0.458685716402	-0.297044875006	1.29036358731	-0.0263917986084	0.0576802940507	-0.0019476984246	0.00716913266647	-0.044745443717	-0.0022708005403	0.0266279825782	-0.00315088784906	0.047233733798	0.157367245159	0.00596507522662	0.0139648103851	0.11491310348	-0.0175137887476	0.111030226401	-18.75	-25.804	0.56
5	2.19550577811	-1.26859132399	-0.000162793029619	2.36461587492	-0.291785542987	1.33415468834	-0.0313093797744	0.246209678978	-0.0929049924616	0.0274746578164	-0.113951619016	0.191353530607	0.261786352191	0.119928053346	0.0925764167593	0.167231466413	-0.0423370586851	0.0128224110311	0.185935507429	0.00749617307826	0.130023678961	-12.995	-24.999	-21.841
6	2.16563251951	4.26370911851	-0.619697346965	9.16077184128	-2.65877441165	2.83732228506	-0.0946776319008	0.149899442266	0.0771826982195	0.302297219586	0.439212279903	0.111516420661	0.296851549975	0.103619959409	-0.245257290786	0.34275986866	0.0831275434168	0.0270980823475	0.156872411603	-0.0189256293896	0.219437913259	-11.041	-44.771	-4.722
7	0.752454308817	-0.523582379243	-0.484874398517	0.673609893439	0.0888424766926	0.852333859693	0.151520128262	0.0885665431338	0.234320634687	-0.29093363045	0.0482849285377	-0.353498640688	-0.284139590749	0.229642664892	-0.137272427179	0.347587539442	-0.0225905325971	0.0983438284621	0.24811276175	0.0519240143238	0.289345691742	13.344	53.233	-16.62
8	1.50443981642	-0.170897893534	0.67598303873	1.91546916468	-0.11324611242	1.30640451806	-0.300748003942	-0.178382386684	0.0876574207406	0.555496776715	0.206175657337	0.156612914187	0.0980589584408	-0.0121900452092	-0.025867523412	0.371015351893	0.0375529714623	-0.0273465406191	0.233467700411	-0.0991913627458	0.412694031798	8.37	57.648	-1.243
9	2.02007007126	-0.700715111151	0.084549171988	1.09589157124	-0.366782562148	0.967904429979	0.0074837626324	0.0532898964854	0.293620393311	-0.0331807157171	-0.0677188665104	0.0163579286985	-0.102050796442	-0.040932474328	0.0447747301662	0.213380507357	0.0185280421093	0.00470359601226	0.138464762208	0.00858820401534	0.214365773919	4.038	50.554	-12.037
10	0.769394159719	-0.0508370982711	0.122314906801	0.679323492843	-0.239541627058	0.477345218107	-0.0226832140748	-0.0902517585489	0.0676189102567	0.0138518729342	0.031268696859	-0.0994294486363	-0.115164686447	0.0144365197635	-0.00814462342743	0.160560981149	0.0172426777159	0.00646677827706	0.121463183874	-0.0450464832552	0.176606968422	17.883	28.681	3.184
11	1.56927473609	-0.698716134319	0.280367988754	0.604590838714	-0.0453786404386	0.132421688806	0.0189555447085	0.00142561804663	0.0724135941105	-0.0175792676787	0.0457436124384	0.0394838594876	0.00100453242581	0.0204361741755	-0.0529119350378	0.143274275467	-0.00564153428719	0.0125172586507	0.147687683166	0.031550874802	0.189710290276	6.177	26.507	0.732
12	7.47928514276	4.01655173275	1.50688529705	5.41557509775	1.07782846992	1.77020326953	-0.132686572396	0.0299624197587	0.298518956204	0.0568868012578	0.142390542098	0.2287714566	-0.00194015347058	0.151585725928	-0.0336495120325	0.263001784673	0.0522401121104	-0.0597449983256	0.265918582617	-0.0952698993333	0.23364248225	19.755	37.396	18.315
13	2.35192966212	-0.358985979612	-0.735963892643	0.788494228827	-0.0700746294085	2.2839672492	-0.00146252584197	0.0539881671687	0.294150329173	0.0888031356767	-0.0541657810956	-0.353061457791	-0.244991248772	-0.104484311949	-0.0025471846719	0.15343762003	-0.0227214517881	-0.0600313093275	0.202646863605	-0.00110843654087	0.373036164266	44.465	31.87	13.734
14	1.11431306944	-0.453233602018	0.131419006183	1.72200526324	-0.135900798086	0.855865106247	0.0725829587851	-0.0527681389433	0.130255430804	0.071246281731	-0.0475163812877	-0.20914269767	0.0169257156912	0.127918619337	0.000476208828161	0.155495898669	-0.00399605351732	-0.026777493263	0.219548030197	-0.0163760319647	0.203951086974	43.355	23.982	14.381
15	1.26698108007	-0.598336661241	0.61977502087	0.492176298211	-0.394806139483	0.381811547572	0.0226960951804	0.0158334910644	0.046761857458	-0.0200205726987	-0.0199520866441	0.0171196792821	0.017180188423	0.0277429650051	-0.000865706527759	0.135729529099	0.0119782057252	0.00393780570672	0.11412265485	-0.0125257902879	0.150705201203	15.256	26.539	1.505
16	0.880897901112	-0.585917127646	-0.0267316660083	1.32597306923	-1.25384433583	1.54367052945	0.0233342803007	0.143879150417	0.102574056145	0.0944774930186	-0.061948306594	-0.277375015417	-0.193329123575	-0.057828063397	0.0550828232999	0.190040462071	0.000265524628095	-0.0172002665381	0.17108785628	-0.0304059114023	0.200727388117	29.923	20.137	-7.916
17	1.64595046969	0.88051080962	-0.273717774365	0.778976120957	0.145212425295	0.956329673734	0.375668718601	-0.621466659214	0.0390538878541	0.183088405762	-0.313055214241	-0.142032733104	-0.18394179528	0.181309448444	-0.0884705217664	0.279402330726	-0.0497190860072	-0.0418862759661	0.378304484958	0.0377815702796	0.150763215516	15.168	-11.373	54.539
18	2.72640750136	0.12935255482	0.0327046697793	1.21065375523	0.436320974357	2.06837722258	-0.217043879115	-0.091180948252	-0.467845214705	0.171261773123	0.0953812248243	0.140530634235	0.440183612265	0.14446214612	0.0145567983229	0.321719268058	-0.00821543921159	-0.019834187244	0.29231688881	0.107081409179	0.293525372537	10.62	-27.071	50.759
19	2.32362501658	0.222166894115	-0.463498026157	0.869554044041	0.127558978672	1.34438789298	0.178458208353	-0.328811365022	-0.0702924290527	0.23902525932	-0.127410961721	0.0844233347899	-0.0195284214857	0.133218249848	-0.0188002810033	0.225231284635	-0.0291512891197	-0.0244824480076	0.198923886955	-0.000118617085762	0.13997356253	5.855	-14.314	50.152
20	0.996125328938	0.298879592762	-0.709287432002	0.59674564789	-0.371162093601	0.779278087595	0.00376528812887	-0.0940287026761	-0.089303970659	0.026178119767	0.0223632543837	-0.139676141632	0.0589065955179	0.1162637156	-0.0118167983257	0.118582100112	0.0308644764961	-0.0176566837946	0.158338565406	0.00408295590548	0.143618055093	20.796	-14.212	21.64
21	1.73123656628	0.664426183777	-0.703051078072	1.03061451697	0.466640747763	0.799369619138	0.00921902285067	0.0314536019793	0.0225840475548	0.107252821157	-0.0262525957375	0.0230629664766	0.0308154259436	-0.00693535254462	0.0540966940571	0.13238845925	0.0167734918702	-0.032496969841	0.145218056315	0.000758690563238	0.105952616869	0.445	-14.839	26.091
22	0.381470321435	0.43478612063	0.44182405086	0.912159090582	-0.209783366081	1.69539929312	-0.440894225895	0.187506679651	-1.04988058499	-0.257976056506	0.140985743279	-0.465905847682	0.685095440349	0.494058996652	0.223763719284	0.380414263252	0.0439284379571	0.152626245587	0.323414059533	0.0388924574454	0.606724989218	19.27	-36.376	17.104
23	1.09720571144	-0.215509880713	0.943323898169	1.16262550659	-0.278933954228	0.914572702047	-0.275045310648	0.0885305767422	0.0082433907767	-0.271825051138	0.23716389056	-0.0804542943892	-0.138377932274	0.209086350263	-0.0155468191275	0.290340810512	-0.0712616812651	0.0787199767371	0.2276507028	-0.0293119208865	0.201123314827	42.869	2.036	-37.083
24	2.00366959065	0.0709443445753	1.05522025624	1.90814974593	0.0276546251743	2.14825508396	0.20135181039	-0.0592789141417	-0.27448493334	-0.141685994198	0.385117590949	-0.272269660247	0.555976599942	-0.0898034715561	-0.190052603877	0.249332202184	0.0237524932727	0.0905935195535	0.281338947907	-0.0847908995273	0.42725330098	49.708	-9.802	-27.333
25	2.13512423673	0.41042187923	0.290666939493	0.977118124127	0.135681260625	1.48644383403	0.147334015219	-0.0572298073115	-0.332993623568	-0.0704962197909	0.064927551988	-0.242906998665	0.0768944577011	0.440484158065	-0.181410819344	0.203283634091	-0.0131332555383	0.00754977374254	0.283612940837	0.00229136256571	0.25730249647	51.411	-0.406	-20.527
26	0.908760053484	-0.107487083953	-0.00336772457693	0.11903185845	-0.183866515615	1.35408701471	-0.0386949280953	0.0425461069976	0.132365015859	-0.117164440233	-0.0300050363952	-0.0836791230504	-0.114324766604	0.139392092807	0.015159243384	0.193553831482	-0.0258063249798	0.0479549629132	0.181844531442	0.0120428186331	0.177095994429	41.84	4.152	-27.815
27	0.541584444709	0.444792744889	0.243986321641	0.801179684535	-0.0420151260197	0.176868577715	-0.0398621248791	-0.00751060804284	0.033497788069	-0.159203920187	0.0141206710478	-0.0239876817241	0.0556693470234	0.0441536262268	-0.00461671245899	0.132747951384	0.00741322974283	0.00747924273276	0.135425756952	0.0032433703515	0.119535811148	22.526	-11.319	-21.419
28	0.95372421571	-0.0503106441595	-0.199754223969	1.59050914753	-0.423939840165	0.150002153481	-0.000671271062361	0.327956503303	-0.126978831116	-0.443208812958	-0.0480802307247	-0.0908767800484	0.115398672185	0.0447484845157	-0.0358000693845	0.226497521558	-0.0166978516181	0.00941064472983	0.228575540701	0.00309839565566	0.110006983403	17.439	-15.194	-34.034
29	0.596770509601	0.45493204434	0.695100570557	0.565903406558	0.270222966109	1.04136098381	-0.0275784366797	0.0366351402544	0.0356597667679	0.027611995049	-0.00341097585135	-0.0396379856495	-0.0723233476123	0.106453019996	0.0326332028112	0.135945327432	-0.00591372025725	0.030159302014	0.149837192913	-0.0323047976752	0.124443296116	21.245	-6.76	-14.36
30	3.01654445649	-1.51807826785	-1.33382678808	4.07096558274	3.02630693999	6.40335501215	0.351805571011	0.0279159336088	-0.419394076463	-0.18397845642	0.0303935412898	-0.467676525593	0.169545954098	0.655977979877	-0.373489566778	0.133752742102	0.0281648997005	-0.0261005366266	0.20303822288	0.00329449034958	0.290185886273	27.566	-29.496	-20.725
31	1.3989877521	-0.490438280866	0.344598995842	1.50991279518	-0.775737805101	0.752290377603	0.082243585267	-0.269955174703	0.0885375923161	-0.0696293412955	0.165662745032	0.00423075213577	-0.083262803081	-0.167350080335	-0.115851942486	0.258823195504	0.00966470461256	0.0669889566454	0.188822009918	-0.0764816236545	0.247324641851	-21.883	40.583	35.3
32	0.734486202126	-0.117828502514	0.125053520849	0.511877978175	-0.085726692514	0.732823528486	-0.0333601407518	-0.165385368391	0.243767741445	0.0769628265854	0.0371047124699	-0.0017310289	-0.192593095845	-0.0293413597473	-0.0101039076047	0.169628950665	0.0257944425517	-0.00250018101704	0.15293345059	-0.0516437190321	0.209886443265	-16.602	39.326	27.895
33	0.472979223548	0.0414201542939	-0.097119307146	0.948694175942	0.13003237596	0.0996426255931	0.0309041604185	-0.0538745243222	0.0196465681663	0.0691054467527	0.0042038717175	-0.00455876174453	-0.01853037554	-0.00711593947039	-0.0283605210738	0.136888879046	0.0176329317178	-0.00998328819297	0.15750312871	0.00449191915874	0.140406521631	-20.75	7.588	23.966
34	1.90868486661	1.53628880934	-0.75673243371	1.28591646789	-0.860605555046	0.565333604226	0.159818157912	-0.173818786439	0.16093577009	-0.0377431300286	-0.0790143469602	0.20717981749	0.00345938219654	0.0193091039903	-0.129195442813	0.119068844816	0.0215648890002	-0.00350603533243	0.194798685385	0.0165626942396	0.219676824169	-28.435	23.025	13.324
35	1.13560310157	0.467033887815	-0.584802281857	1.04686361763	-0.612346354091	0.781538596287	-0.222898366576	-0.0619703228033	-0.449490569372	-0.0371901516855	0.0649029526796	-0.211528466501	0.240125055524	0.147670380135	0.16585049622	0.18782388121	0.061949195802	-0.00655063606374	0.214422016807	0.0278886784861	0.383101620952	43.708	-31.64	18.124
36	1.83048049507	-0.190755434734	-0.599381980167	1.35797288677	-0.504571043907	2.39007383838	0.249771464704	-0.369453311489	0.0233805956536	0.241343979946	0.128565931008	-0.135073411667	-0.38763515743	0.698412865886	0.0785142937087	0.161420970038	-0.0156908892943	-0.0674741360944	0.381669900811	0.0732583784013	0.298275366713	49.706	-17.107	23.659
37	1.68389319594	0.263181570855	-0.612382657575	1.03123610784	-0.558052835883	1.81070163144	-0.113147459743	-0.0204622688725	-0.281945106877	0.0164008486036	-0.00139607508742	-0.302209284521	0.0242303483047	0.264123563308	0.0797642417089	0.181134752973	0.0140153267975	-0.00544873340219	0.19317922163	-0.00693349524138	0.257612945643	45.629	-20.807	11.52
38	1.26192173823	0.0464169716626	-0.412836752028	0.604983691373	0.088131281973	0.371068200852	-0.000656082803727	-0.0935343799291	-0.1007813273	0.0730349049367	-0.0567800875272	-0.0991974805445	0.0401882277673	0.0257050574313	0.0170948651353	0.137451982006	0.00709403962044	-0.0161864937235	0.149038621723	0.0348029240651	0.116616253512	23.76	-17.097	23.235
39	1.16773119547	0.478829766593	-0.696816819266	0.484289332533	-0.248405784178	0.619601086403	-0.0161679647901	0.01821337523	0.0402541840645	-0.0296734099855	0.0296248576223	-0.0159004838814	0.0432824647411	0.0390598420449	-0.0109048800492	0.149083073696	0.0114565009713	-0.0389381462499	0.114888436071	-0.00304828312616	0.132069171514	21.202	-8.438	14.053
40	3.92295335393	-0.390178053655	-0.311172266179	3.53336733187	0.705270363808	4.32442002423	0.167373020242	-0.0910528885195	-0.194535430654	0.245179958017	-0.0598978447976	0.0502739312688	0.340692840846	0.183233393734	0.040519728534	0.22433444096	-0.0651734745672	-0.000523319976303	0.279213243352	-0.0464645238326	0.175735001268	27.03	-2.765	37.62
41	2.1124515749	0.660370807627	1.35552239436	0.774223550435	0.415281861734	1.13891851886	0.259813614322	0.0435448966242	-0.424553845369	-0.1775935673	-0.0314563324387	-0.243507471123	0.481893584439	-0.0616443312148	-0.224975166337	0.3482473088	-0.000228240878155	0.0670380663475	0.189811800539	-0.0532397195684	0.242200317626	16.093	-40.968	-36.222
42	2.34256278075	0.163366536508	0.882261040462	1.85943137104	-0.353573417299	2.81378004569	-0.175709064917	0.42980946465	0.178532846938	0.0380158501242	0.0129159202709	0.0698121616866	-0.257634518231	0.290393497908	0.0895970090291	0.241468517333	-0.0106209853619	0.0255098712823	0.253994670386	-0.0401493234514	0.218160921577	10.999	-30.774	-48.08
43	1.15401574657	-0.362416994131	-0.198716636565	0.399123291246	-0.240222800634	1.15191598065	-0.0163633044406	0.155781138207	-0.187111242005	-0.141857932535	-0.0130951989138	0.148801161366	0.255864712695	-0.0738842657771	0.0208227008086	0.268233901853	-0.0112791760936	-0.00473536698021	0.164230135914	-0.0461134575602	0.179134311753	1.073	-35.417	-39.314
44	1.42904088752	0.345752674091	-0.480301635894	1.36959346217	-0.472741554612	1.13276616696	-0.0203437957456	0.167829992777	-0.17029829844	-0.158503753646	0.022347200838	-0.0663760022149	0.0952450929247	-0.0145068323963	0.0126785622576	0.292204348908	0.0496638774772	0.0115301371886	0.158358924004	-0.0144982895341	0.181764982638	15.164	-36.811	-32.844
45	0.442668066766	0.121689276964	0.024903997775	1.20571206408	0.0985129365007	0.380221948351	0.0646018794714	0.047596033568	0.109239150617	-0.160487402859	-0.180178695758	0.116025689742	-0.0583008348471	0.0311215681233	0.131005698167	0.124861715745	0.0290394271936	-0.0129825321491	0.166858907173	0.0227116469398	0.0891567301639	14.481	-9.141	-26.016
46	0.479187787366	0.885285431491	-0.148060672687	1.6662225977	-0.544911886708	1.6866603808	-0.105456357324	0.0790218588976	-0.0873235284708	-0.050834624281	0.00894546574308	-0.282580403869	0.104150478887	0.10543979901	0.0734193486822	0.160396682597	0.00722818072786	0.0281529435257	0.181502329057	-0.0284281757159	0.143679698957	28.933	-15.602	-24.384
47	1.04000063911	0.607824991932	0.174980143796	0.53322564927	0.093701968587	0.33958740603	0.0308146118466	-0.0270864264575	-0.0709639376562	0.0285068476988	0.0643088691072	-0.00389952150838	0.0411843852418	-0.109945982183	-0.0891840837225	0.142980726196	0.0010692802048	0.0121239830964	0.137170057474	-0.00532713606597	0.0941952371249	7.36	-12.527	-22.672
48	3.59274712076	0.410057179173	-1.9575254282	3.77965125602	0.502757583929	6.65094240994	-0.120245347705	0.498464116173	-0.11450113071	-0.246859620707	-0.144831849269	-0.153689452519	0.0146207078039	-0.128137134613	0.238854075463	0.205085453954	0.000715815352515	0.00469860558801	0.215285166521	0.0818635013905	0.139337088657	21.456	-2.89	-40.909
49	1.59169410337	-0.327457823316	0.34209300218	1.42361819781	0.575518544619	1.25652285659	-0.0492342027312	0.0323502934273	0.0337195298642	0.0151417597626	-0.0600207736943	0.315490260558	0.0127274868565	-0.436187100199	0.0727094117238	0.172652823258	-0.0160653782697	-0.0159282409592	0.394774871913	0.0107501432366	0.322349045511	-47.2	29.896	-17.326
50	1.42386348118	-0.0957515927492	0.39552244097	1.48704234425	0.55243212292	1.81047182987	0.213152868676	0.222244964719	-0.0285087295018	-0.30874634135	0.026020280605	-0.0637598998132	0.102423765083	-0.204642077938	0.0571885774737	0.23834310954	0.0238770712028	0.045971025423	0.255562831273	0.0733728515068	0.38045474163	-39.659	37.511	-22.662
51	0.0143267986454	0.0743463968074	0.0607021238073	0.58708193722	0.39539772911	0.277460325291	0.215351515739	0.122448098831	0.47684073769	-0.630765109172	-0.322419216912	-0.0532851400724	-0.744547372101	-0.131252533045	0.0398480715445	0.434583904805	0.0381647499933	0.0179644984033	0.397547736348	0.0930463358138	0.524217698219	-34.315	48.255	-19.138
52	1.13940407829	-0.406743855325	0.0689214522251	1.43587332869	0.552179995887	0.688116664221	-0.026335395117	-0.0689040302393	0.470013687273	0.1580745939	0.0539371289035	0.028278650378	-0.106723925108	-0.0770877227482	0.0483033293197	0.204198478573	0.0475024618894	0.0375343791371	0.168174310401	0.015538590903	0.370252833526	-36.581	36.359	-6.168
53	1.32768167989	-0.13427669421	0.0806121301446	1.64649123611	0.130449108431	0.79201412592	0.13751662713	0.221048716615	0.0152982583776	0.0210751057037	-0.135888135487	0.313768557455	-0.0270123273371	-0.184840003686	-0.0004598859171	0.14807213213	0.0160035928992	-0.0101641392194	0.204478793871	-0.00863125082178	0.232074635195	-38.847	25.029	-14.677
54	-0.00575754138805	-0.0133572116281	-0.0358127335278	0.819632820054	0.0183026539279	0.407257499335	-0.0343462361247	0.0817029127439	0.0545158769206	-0.20642277431	0.107615236302	0.0381493962688	-0.0203300307433	0.00625572547244	-0.072055381281	0.171633111047	-0.018753727242	0.00588312657184	0.172782193153	0.0182611485997	0.14067672012	-17.619	9.757	-28.461
55	1.21787253982	0.397263973092	-0.37486838476	0.662155897513	0.520985566584	0.925175767976	0.160115602669	-0.146556349572	-0.0874378429699	0.13995966373	-0.0684581528015	-0.124111155395	0.0941596621397	-0.0130084760544	-0.0592636151346	0.149099095154	0.0132119815668	-0.0303554547881	0.140321076116	0.0259521305564	0.137895325176	-20.016	20.666	-3.949
56	0.149752094275	0.320611595822	0.0340672166688	0.871477591387	0.711479641527	2.89714465719	0.0214226953934	-0.0164968871238	0.0529482488046	-0.0372849133294	0.0844562751429	0.032692879221	0.0901298987732	-0.200529068757	-0.101156183993	0.238892824276	0.00753918243321	-0.0231171398355	0.211206510625	0.0405758307205	0.224847028461	-12.167	29.086	-26.478
57	1.84459974239	0.0947137901608	0.463156107224	1.73696036568	0.688692099028	2.13041103249	0.0170816984168	0.20152148557	0.224218640139	-0.251335480858	-0.132111609844	0.151237692391	0.0292041665974	-0.211904917579	0.093794911709	0.254918574067	-0.0245661977584	-0.00438197469517	0.320981419769	0.0672993974798	0.195652437525	-21.632	8.549	-52.542
58	0.801138362425	-0.00313797037809	0.700961819811	1.47727274634	0.313246711794	1.10343825125	0.0863083754645	0.0676139165866	-0.115432334147	-0.218976143832	-0.0232568947032	0.153931855432	0.268507893555	-0.179543439956	-0.0484945769423	0.26088453731	-0.0694075760017	0.00066636900449	0.30274766681	0.00706565772611	0.177733234133	-17.578	-2.863	-50.536
59	2.33820683131	-0.50583829511	0.595852013865	1.3162117864	0.347624734369	1.42745830194	-0.0960179912698	0.148352417344	-0.093374284265	-0.392533837969	0.135924796822	0.298593959901	-0.231551585918	-0.229608067795	-0.0107354137349	0.217400664044	0.0556075897314	-0.0192003709504	0.220881823015	0.0495403611662	0.178092041949	-20.183	12.565	-44.68
60	0.252951998051	0.0751773084442	0.0395623767731	0.614974316272	0.325727075973	0.446170333025	-0.0595465291505	0.0649223321223	0.0758287030522	-0.177932519511	0.05460081581	0.0531959022081	-0.0604812800009	-0.0443358184993	-0.00018874489	0.170883374686	-0.00276204252409	-0.00825883510368	0.162789415077	0.0271319390521	0.149837603793	-19.849	13.327	-30.619
61	0.114865244512	-0.439350416353	-0.231794427622	2.56089788095	1.32237152968	1.16698456648	0.0386720751678	0.0240102088042	0.0382169911889	0.197069242263	0.0512439290407	-0.168719775237	0.0484273175697	-0.0234075562711	-0.0718623543175	0.1289292795	0.00291477957575	-0.015357256444	0.151286322212	0.00434774391759	0.151260209775	-11.69	14.567	-17.281
62	2.38824994547	-1.13532964358	-1.00784433425	1.1860474565	0.265029527348	0.388901322907	-0.160172639684	0.0958299317134	0.00107301589408	0.0956571291163	0.0488213070124	0.101388574427	0.119215065389	-0.103825800567	0.0913596610912	0.170858564768	0.0083590721025	-0.0261076077673	0.217737743084	-0.0127737952175	0.174585714386	-27.783	-1.611	-26.612
63	1.01072940247	0.433356482574	0.688837696887	0.968186392391	-0.346316712257	1.02357246519	0.0343085366	-0.0916417215572	0.218318997233	-0.0754701708178	-0.032176912412	0.406762890075	0.127722999485	-0.129190252905	0.0927205833083	0.168972802234	-0.00716806266884	0.0350069308063	0.245451111825	-0.0504106208829	0.315638240864	-46.194	-1.434	36.642
64	1.16416581916	0.653689829413	0.430296416583	2.02434089552	-0.456881744552	1.85152579046	0.0382390902322	-0.232229970046	0.340113542152	0.406708727412	-0.311116509904	-0.144702696586	0.013454353921	-0.0475064912973	0.138651934033	0.262689205534	-0.0818537893479	0.0832978216484	0.295780069389	-0.0396305705106	0.247693012493	-34.683	-2.861	48.309
65	1.14152011517	0.092321221239	-0.143081636112	1.23016462781	-0.56258473122	1.28843876717	-0.0534261070545	-0.272153694066	-0.153950123581	0.411326678449	-0.0525427170318	0.279143977226	-0.137918449316	-0.0376740824275	0.0542427587018	0.248310995069	-0.0202288498926	0.0700155263913	0.233623050287	0.0240826732412	0.22979683452	-35.077	-13.814	41.675
66	1.14173658249	-0.303371494927	-0.0586001523618	1.10060198585	-0.657548945728	1.30546147829	0.0543266057071	0.029461920713	-0.129448658085	0.0236620652336	-0.135898835184	0.255441303946	0.0629886844289	0.0749092195871	0.0429773001923	0.194788030746	-0.00161962834235	0.041282980854	0.146380046832	-0.0253477543223	0.217281497371	-36.406	-11.913	31.848
67	0.977346472494	0.245304850155	-0.132536318453	1.26249977153	0.0370848105736	0.343520721261	-0.0286050023397	-0.206811061131	0.119997564256	-0.0150207701413	0.0672360403989	0.276997562055	-0.0738969548656	-0.0924775492928	0.0356126210851	0.15805135382	0.00612008305359	0.0344515997872	0.233299536703	-0.0398645985269	0.277478354494	-42.027	-0.454	33.23
68	0.874697010371	0.817103184283	0.0900486444024	1.60005418626	-0.111805759746	0.428509152326	0.0643142306364	-0.140624851241	0.144701941039	0.141989447577	-0.0946868358452	0.108377642395	-0.0513003344299	-0.0943333865701	0.0285572984942	0.114018127533	0.0280239484382	0.00926795204569	0.132236033644	-0.00246600349981	0.10249408791	-19.852	13.21	26.421
69	0.391526669212	-0.290139091173	0.0915578176035	1.6054481901	-0.0668139465086	0.0166280619362	0.0338274046565	-0.00438455214123	-0.072470156926	0.0450810812003	-0.0212099690807	0.0824618500032	0.012412828273	-0.00463285251901	-0.0267242126046	0.117336433331	0.00678499891113	0.0180586990825	0.127555093421	-0.00890551792394	0.137573942888	-16.71	1.913	23.111
70	3.66528903174	-2.53470818766	-2.67524105394	5.52975447907	3.2927895377	5.42755501254	-0.0602137811203	-0.169649130065	-0.307528257598	0.750018784736	-0.155322733414	0.349736589745	0.0330697656797	-0.28761164658	0.200353340769	0.235040631275	-0.0221743198995	0.0137276829797	0.166715638724	0.0300085689581	0.193055513205	-12.692	17.404	41.571
71	0.746406983152	-0.356245102752	-0.480043393479	0.631038494698	0.106311447296	2.08680551138	0.103471532325	0.10430877695	-0.117283870189	0.0785613280973	-0.0480686827839	-0.102870683273	0.438075951579	-0.215348090226	-0.06973021075	0.313438557023	-0.0745284722744	-0.0515428571189	0.179906216911	0.0561700032207	0.240124367824	-18.409	-52.421	17.05
72	3.34316759566	-0.78491010271	2.24986852973	1.15724905714	-0.0711182343746	1.72842111478	0.0114175605247	-0.392189539025	0.226045872941	0.0750582379695	-0.259554155325	-0.30619077438	0.0650406707352	-0.262293876311	0.207293687352	0.311021933308	-0.109286976447	0.0422075019304	0.415550782038	0.0794865758379	0.278203339035	-28.528	-46.739	30.294
73	0.714491703445	0.1248243627	0.0939371713325	0.796006406343	-0.0278898494521	1.24653647532	-0.0683930479302	-0.0581913953439	-0.125189782781	0.0392082852942	0.0485797480123	-0.0769601331525	0.170475516815	0.0207067660005	0.00971433406681	0.231671306155	0.0243893029924	-0.0111916295871	0.14499109464	0.0374318005511	0.170339162815	-12.564	-44.999	21.04
74	0.818316916025	-0.486157218738	0.0689364694518	0.521046440216	-0.393856926111	0.993985618674	0.0224441613128	0.0152880582886	-0.0841535199556	-0.0675212756481	0.010434322876	0.0325421312462	0.0267875070541	-0.106192652024	-0.024190675653	0.152918663728	-0.011422905557	-0.00832953654535	0.140458417792	-0.0103430402675	0.119617645453	-21.934	-27.709	-0.47
75	0.226884145612	0.160818601823	0.37109845073	0.458851940671	0.0726381366578	1.50827382102	-0.0013007081232	-0.0122637704877	-0.055284509884	0.0614011680434	0.030259498061	-0.0397263268667	-0.0677667650473	0.0318660203082	-0.0337145084361	0.156569379395	-0.00293122531621	-0.013899723946	0.136832546268	0.00163748185357	0.152426911268	-15.321	-22.247	8.217
76	6.48717597187	4.01405088922	1.56513947137	3.62874455136	0.701783776057	4.25302210645	0.438436224027	0.0332770667444	-0.465292391499	0.439422029423	-0.21343766811	-0.0675321735684	0.529091356704	-0.550773465069	-0.202692332658	0.254784092239	-0.0402796182236	0.000336731365558	0.304987973834	-0.0559756086842	0.194411776993	-39.149	-27.267	3.049

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN B AND RESID 3:27 )	B	3 - 27
2	X-RAY DIFFRACTION	2	( CHAIN B AND RESID 28:60 )	B	28 - 60
3	X-RAY DIFFRACTION	3	( CHAIN B AND RESID 61:184 )	B	61 - 184
4	X-RAY DIFFRACTION	4	( CHAIN B AND RESID 185:284 )	B	185 - 284
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 285:313 )	B	285 - 313
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 314:329 )	B	314 - 329
7	X-RAY DIFFRACTION	7	( CHAIN H AND RESID 3:27 )	H	3 - 27
8	X-RAY DIFFRACTION	8	( CHAIN H AND RESID 28:60 )	H	28 - 60
9	X-RAY DIFFRACTION	9	( CHAIN H AND RESID 61:184 )	H	61 - 184
10	X-RAY DIFFRACTION	10	( CHAIN H AND RESID 185:251 )	H	185 - 251
11	X-RAY DIFFRACTION	11	( CHAIN H AND RESID 252:313 )	H	252 - 313
12	X-RAY DIFFRACTION	12	( CHAIN H AND RESID 314:329 )	H	314 - 329
13	X-RAY DIFFRACTION	13	( CHAIN K AND RESID 3:53 )	K	3 - 53
14	X-RAY DIFFRACTION	14	( CHAIN K AND RESID 54:184 )	K	54 - 184
15	X-RAY DIFFRACTION	15	( CHAIN K AND RESID 185:284 )	K	185 - 284
16	X-RAY DIFFRACTION	16	( CHAIN K AND RESID 285:329 )	K	285 - 329
17	X-RAY DIFFRACTION	17	( CHAIN I AND RESID 3:27 )	I	3 - 27
18	X-RAY DIFFRACTION	18	( CHAIN I AND RESID 28:60 )	I	28 - 60
19	X-RAY DIFFRACTION	19	( CHAIN I AND RESID 61:184 )	I	61 - 184
20	X-RAY DIFFRACTION	20	( CHAIN I AND RESID 185:267 )	I	185 - 267
21	X-RAY DIFFRACTION	21	( CHAIN I AND RESID 268:311 )	I	268 - 311
22	X-RAY DIFFRACTION	22	( CHAIN I AND RESID 312:329 )	I	312 - 329
23	X-RAY DIFFRACTION	23	( CHAIN D AND RESID 3:27 )	D	3 - 27
24	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 28:61 )	D	28 - 61
25	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 62:94 )	D	62 - 94
26	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 95:173 )	D	95 - 173
27	X-RAY DIFFRACTION	27	( CHAIN D AND RESID 174:230 )	D	174 - 230
28	X-RAY DIFFRACTION	28	( CHAIN D AND RESID 231:251 )	D	231 - 251
29	X-RAY DIFFRACTION	29	( CHAIN D AND RESID 252:313 )	D	252 - 313
30	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 314:329 )	D	314 - 329
31	X-RAY DIFFRACTION	31	( CHAIN G AND RESID 3:52 )	G	3 - 52
32	X-RAY DIFFRACTION	32	( CHAIN G AND RESID 53:201 )	G	53 - 201
33	X-RAY DIFFRACTION	33	( CHAIN G AND RESID 202:284 )	G	202 - 284
34	X-RAY DIFFRACTION	34	( CHAIN G AND RESID 285:329 )	G	285 - 329
35	X-RAY DIFFRACTION	35	( CHAIN J AND RESID 3:27 )	J	3 - 27
36	X-RAY DIFFRACTION	36	( CHAIN J AND RESID 28:60 )	J	28 - 60
37	X-RAY DIFFRACTION	37	( CHAIN J AND RESID 61:161 )	J	61 - 161
38	X-RAY DIFFRACTION	38	( CHAIN J AND RESID 162:251 )	J	162 - 251
39	X-RAY DIFFRACTION	39	( CHAIN J AND RESID 252:313 )	J	252 - 313
40	X-RAY DIFFRACTION	40	( CHAIN J AND RESID 314:329 )	J	314 - 329
41	X-RAY DIFFRACTION	41	( CHAIN E AND RESID 3:27 )	E	3 - 27
42	X-RAY DIFFRACTION	42	( CHAIN E AND RESID 28:59 )	E	28 - 59
43	X-RAY DIFFRACTION	43	( CHAIN E AND RESID 60:134 )	E	60 - 134
44	X-RAY DIFFRACTION	44	( CHAIN E AND RESID 135:184 )	E	135 - 184
45	X-RAY DIFFRACTION	45	( CHAIN E AND RESID 185:230 )	E	185 - 230
46	X-RAY DIFFRACTION	46	( CHAIN E AND RESID 231:251 )	E	231 - 251
47	X-RAY DIFFRACTION	47	( CHAIN E AND RESID 252:313 )	E	252 - 313
48	X-RAY DIFFRACTION	48	( CHAIN E AND RESID 314:329 )	E	314 - 329
49	X-RAY DIFFRACTION	49	( CHAIN L AND RESID 3:27 )	L	3 - 27
50	X-RAY DIFFRACTION	50	( CHAIN L AND RESID 28:47 )	L	28 - 47
51	X-RAY DIFFRACTION	51	( CHAIN L AND RESID 48:73 )	L	48 - 73
52	X-RAY DIFFRACTION	52	( CHAIN L AND RESID 74:134 )	L	74 - 134
53	X-RAY DIFFRACTION	53	( CHAIN L AND RESID 135:201 )	L	135 - 201
54	X-RAY DIFFRACTION	54	( CHAIN L AND RESID 202:269 )	L	202 - 269
55	X-RAY DIFFRACTION	55	( CHAIN L AND RESID 270:297 )	L	270 - 297
56	X-RAY DIFFRACTION	56	( CHAIN L AND RESID 298:329 )	L	298 - 329
57	X-RAY DIFFRACTION	57	( CHAIN C AND RESID 3:52 )	C	3 - 52
58	X-RAY DIFFRACTION	58	( CHAIN C AND RESID 53:134 )	C	53 - 134
59	X-RAY DIFFRACTION	59	( CHAIN C AND RESID 135:156 )	C	135 - 156
60	X-RAY DIFFRACTION	60	( CHAIN C AND RESID 157:251 )	C	157 - 251
61	X-RAY DIFFRACTION	61	( CHAIN C AND RESID 252:284 )	C	252 - 284
62	X-RAY DIFFRACTION	62	( CHAIN C AND RESID 285:329 )	C	285 - 329
63	X-RAY DIFFRACTION	63	( CHAIN F AND RESID 3:27 )	F	3 - 27
64	X-RAY DIFFRACTION	64	( CHAIN F AND RESID 28:59 )	F	28 - 59
65	X-RAY DIFFRACTION	65	( CHAIN F AND RESID 60:114 )	F	60 - 114
66	X-RAY DIFFRACTION	66	( CHAIN F AND RESID 115:134 )	F	115 - 134
67	X-RAY DIFFRACTION	67	( CHAIN F AND RESID 135:184 )	F	135 - 184
68	X-RAY DIFFRACTION	68	( CHAIN F AND RESID 185:251 )	F	185 - 251
69	X-RAY DIFFRACTION	69	( CHAIN F AND RESID 252:313 )	F	252 - 313
70	X-RAY DIFFRACTION	70	( CHAIN F AND RESID 314:329 )	F	314 - 329
71	X-RAY DIFFRACTION	71	( CHAIN A AND RESID 3:47 )	A	3 - 47
72	X-RAY DIFFRACTION	72	( CHAIN A AND RESID 48:74 )	A	48 - 74
73	X-RAY DIFFRACTION	73	( CHAIN A AND RESID 75:184 )	A	75 - 184
74	X-RAY DIFFRACTION	74	( CHAIN A AND RESID 185:251 )	A	185 - 251
75	X-RAY DIFFRACTION	75	( CHAIN A AND RESID 252:313 )	A	252 - 313
76	X-RAY DIFFRACTION	76	( CHAIN A AND RESID 314:329 )	A	314 - 329

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