PDB-6yn1: Crystal structure of histone chaperone APLF acidic domain bound t...

Basic information

• Entry: Database: PDB / ID: 6yn1
• Title: Crystal structure of histone chaperone APLF acidic domain bound to the histone H2A-H2B-H3-H4 octamer

Components

• Aprataxin and PNK-like factor
• Histone H2A
• Histone H2B
• Histone H3
• Histone H4

• Keywords: CHAPERONE / Octamer / aplf / histone

Function / homology

Function:

ADP-D-ribose modification-dependent protein binding / regulation of isotype switching / histone chaperone activity / poly-ADP-D-ribose binding / positive regulation of DNA ligation / regulation of epithelial to mesenchymal transition / single strand break repair / DNA repair-dependent chromatin remodeling / site of DNA damage / protein folding chaperone / DNA-(apurinic or apyrimidinic site) endonuclease activity / protein localization to chromatin / 3'-5' exonuclease activity / embryo implantation / DNA endonuclease activity / double-strand break repair via nonhomologous end joining / structural constituent of chromatin / double-strand break repair / nucleosome / nucleosome assembly / site of double-strand break / histone binding / Hydrolases; Acting on ester bonds / protein heterodimerization activity / nucleotide binding / DNA repair / DNA damage response / DNA binding / nucleoplasm / metal ion binding / nucleus / cytosol

Domain/homology:

Aprataxin and PNK-like factor, PBZ domain / Aprataxin and PNK-like factor / PBZ domain / PNK, FHA domain / FHA domain / SMAD/FHA domain superfamily / Histone H2B signature. / Histone H2B / Histone H2B / Histone H2A conserved site / Histone H2A signature. / Histone H2A, C-terminal domain / C-terminus of histone H2A / Histone H2A / Histone 2A / Histone H4, conserved site / Histone H4 signature. / Histone H4 / Histone H4 / CENP-T/Histone H4, histone fold / Centromere kinetochore component CENP-T histone fold / TATA box binding protein associated factor / TATA box binding protein associated factor (TAF), histone-like fold domain / Histone H3 signature 1. / Histone H3 signature 2. / Histone H3 / Histone H3/CENP-A / Histone H2A/H2B/H3 / Core histone H2A/H2B/H3/H4 / Histone-fold

Component:

Histone H2B / Histone H3 / Histone H4 / Histone H2A / Aprataxin and PNK-like factor

• Biological species: Xenopus laevis (African clawed frog); Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.35 Å
• Authors: Corbeski, I. / Guo, X. / Van Ingen, H. / Sixma, T.K.
• Citation: Journal: Sci Adv / Year: 2022; Title: Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF.; Authors: Corbeski, I. / Guo, X. / Eckhardt, B.V. / Fasci, D. / Wiegant, W. / Graewert, M.A. / Vreeken, K. / Wienk, H. / Svergun, D.I. / Heck, A.J.R. / van Attikum, H. / Boelens, R. / Sixma, T.K. / Mattiroli, F. / van Ingen, H.

History

Deposition	Apr 10, 2020	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 17, 2021	Provider: repository / Type: Initial release
Revision 1.1	Oct 25, 2023	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond / citation / citation_author Item: _citation.country / _citation.journal_abbrev / _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	Jan 24, 2024	Group: Refinement description / Category: pdbx_initial_refinement_model

Assembly

Deposited unit

A: Histone H2A

B: Histone H2B

C: Histone H3

D: Histone H4

E: Aprataxin and PNK-like factor

F: Histone H2A

G: Histone H2B

H: Histone H3

I: Histone H4

J: Aprataxin and PNK-like factor

K: Histone H2A

L: Histone H2B

M: Histone H3

N: Histone H4

O: Aprataxin and PNK-like factor

P: Histone H2A

Q: Histone H2B

R: Histone H3

S: Histone H4

T: Aprataxin and PNK-like factor

U: Histone H2A

V: Histone H2B

W: Histone H3

X: Histone H4

Y: Aprataxin and PNK-like factor

Z: Histone H2A

a: Histone H2B

b: Histone H3

c: Histone H4

d: Aprataxin and PNK-like factor

e: Histone H2A

f: Histone H2B

g: Histone H3

h: Histone H4

i: Aprataxin and PNK-like factor

j: Histone H2A

k: Histone H2B

l: Histone H3

m: Histone H4

n: Aprataxin and PNK-like factor

hetero molecules

Summary:

• 395 kDa, 40 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	395,210	55
Polymers	393,885	40
Non-polymers	1,325	15
Water	7,476	415

1

A: Histone H2A

B: Histone H2B

C: Histone H3

D: Histone H4

E: Aprataxin and PNK-like factor

F: Histone H2A

G: Histone H2B

H: Histone H3

I: Histone H4

J: Aprataxin and PNK-like factor

hetero molecules

Summary:

• defined by author
• Evidence: SAXS, gel filtration
• 98.8 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	98,783	14
Polymers	98,471	10
Non-polymers	312	4
Water	180	10

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

2

K: Histone H2A

L: Histone H2B

M: Histone H3

N: Histone H4

O: Aprataxin and PNK-like factor

P: Histone H2A

Q: Histone H2B

R: Histone H3

S: Histone H4

T: Aprataxin and PNK-like factor

hetero molecules

Summary:

• defined by author
• 98.8 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	98,840	14
Polymers	98,471	10
Non-polymers	368	4
Water	162	9

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

3

U: Histone H2A

V: Histone H2B

W: Histone H3

X: Histone H4

Y: Aprataxin and PNK-like factor

Z: Histone H2A

a: Histone H2B

b: Histone H3

c: Histone H4

d: Aprataxin and PNK-like factor

hetero molecules

Summary:

• defined by author
• 98.7 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	98,748	13
Polymers	98,471	10
Non-polymers	276	3
Water	180	10

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

4

e: Histone H2A

f: Histone H2B

g: Histone H3

h: Histone H4

i: Aprataxin and PNK-like factor

j: Histone H2A

k: Histone H2B

l: Histone H3

m: Histone H4

n: Aprataxin and PNK-like factor

hetero molecules

Summary:

• defined by author
• 98.8 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	98,840	14
Polymers	98,471	10
Non-polymers	368	4
Water	162	9

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Unit cell

Length a, b, c (Å)	105.224, 189.686, 204.324
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P212121
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

Components

Protein , 4 types, 32 molecules A F K P U Z e j B G L Q V a f k C H M R W b g l D I N S X c h m

#1: Protein

A F K P U Z e j
Histone H2A /

Details:

Mass: 11754.768 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Gene: hist1h2aj, h2ac14, LOC494591, XELAEV_18003602mg / Production host: Escherichia coli (E. coli) / References: UniProt: Q6AZJ8

#2: Protein

B G L Q V a f k
Histone H2B /

Details:

Mass: 11311.154 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Gene: XELAEV_18032685mg / Production host: Escherichia coli (E. coli) / References: UniProt: A0A1L8FQA5

#3: Protein

C H M R W b g l
Histone H3 /

Details:

Mass: 11633.632 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Gene: XELAEV_18002543mg / Production host: Escherichia coli (E. coli) / References: UniProt: A0A310TTQ1

#4: Protein

D I N S X c h m
Histone H4 /

Details:

Mass: 9540.251 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Production host: Escherichia coli (E. coli) / References: UniProt: P62799

Protein/peptide , 1 types, 8 molecules E J O T Y d i n

#5: Protein/peptide

E J O T Y d i n
Aprataxin and PNK-like factor / Apurinic-apyrimidinic endonuclease APLF / PNK and APTX-like FHA domain-containing protein / XRCC1-interacting protein 1

Details:

Mass: 4995.819 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: APLF, C2orf13, PALF, XIP1 / Production host: Escherichia coli (E. coli)
References: UniProt: Q8IW19, DNA-(apurinic or apyrimidinic site) lyase

Non-polymers , 3 types, 430 molecules

#6: Chemical

A-201 D-201 H-201 K-201 N-201 P-201 S-201 U-201 b-201 c-201 e-201 h-201 j-201 j-202
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol

Details:

Mass: 92.094 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C₃H₈O₃

#7: Chemical

J-501 ChemComp-CL / CHLORIDE ION / Chloride

Details:

Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl

#8: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 415 / Source method: isolated from a natural source / Formula: H₂O

Details

• Has ligand of interest: N

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.58 ų/Da / Density % sol: 52.41 % / Description: 150um x 150um x 150um
• Crystal grow: Temperature: 277 K / Method: vapor diffusion, sitting drop; Details: 0.1 M sodium cacodylate pH6.5, 1.0 M tri-sodium citrate

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: NSLS / Beamline: X6A / Wavelength: 1 Å
• Detector: Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Mar 16, 2020
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 2.2→20 Å / Num. obs: 206799 / % possible obs: 99.8 % / Redundancy: 6.6 % / B_iso Wilson estimate: 49 Ų / CC_1/2: 0.99 / R_merge(I) obs: 0.139 / R_pim(I) all: 0.058 / R_rim(I) all: 0.151 / Net I/σ(I): 11.1
• Reflection shell: Resolution: 2.2→2.33 Å / R_merge(I) obs: 3.2 / Mean I/σ(I) obs: 0.54 / Num. unique obs: 23719 / CC_1/2: 0.17 / R_rim(I) all: 3.4

Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 2HIO

2hio

Resolution: 2.35→19.99 Å / SU ML: 0.3289 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.6704
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	Rfactor	Num. reflection	% reflection
Rfree	0.2325	8284	4.88 %
Rwork	0.1769	161494	-
obs	0.1796	169778	99.96 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 62.33 Ų

Refinement step

Cycle: LAST / Resolution: 2.35→19.99 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24456	0	85	415	24956

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0088	24902
X-RAY DIFFRACTION	f_angle_d	0.9537	33515
X-RAY DIFFRACTION	f_chiral_restr	0.0548	3838
X-RAY DIFFRACTION	f_plane_restr	0.0049	4281
X-RAY DIFFRACTION	f_dihedral_angle_d	19.0034	9568

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.35-2.38	0.363	267	0.3136	5304	X-RAY DIFFRACTION	99.96
2.38-2.4	0.3415	271	0.3003	5364	X-RAY DIFFRACTION	100
2.4-2.43	0.3561	273	0.2946	5310	X-RAY DIFFRACTION	100
2.43-2.46	0.3442	261	0.281	5400	X-RAY DIFFRACTION	99.98
2.46-2.5	0.3159	264	0.2636	5315	X-RAY DIFFRACTION	99.96
2.5-2.53	0.3169	282	0.2618	5324	X-RAY DIFFRACTION	99.98
2.53-2.57	0.296	250	0.2611	5362	X-RAY DIFFRACTION	100
2.57-2.61	0.3329	281	0.2521	5321	X-RAY DIFFRACTION	99.96
2.61-2.65	0.3207	282	0.2438	5353	X-RAY DIFFRACTION	99.98
2.65-2.69	0.2714	242	0.237	5379	X-RAY DIFFRACTION	99.98
2.69-2.74	0.3018	294	0.2365	5297	X-RAY DIFFRACTION	99.96
2.74-2.79	0.2967	287	0.2273	5337	X-RAY DIFFRACTION	99.98
2.79-2.84	0.2821	279	0.2095	5384	X-RAY DIFFRACTION	99.98
2.84-2.9	0.2382	257	0.1988	5328	X-RAY DIFFRACTION	100
2.9-2.96	0.2563	287	0.2021	5353	X-RAY DIFFRACTION	99.96
2.96-3.03	0.2871	269	0.2079	5360	X-RAY DIFFRACTION	99.98
3.03-3.1	0.2497	273	0.1968	5412	X-RAY DIFFRACTION	100
3.1-3.19	0.2409	262	0.1943	5365	X-RAY DIFFRACTION	100
3.19-3.28	0.277	288	0.1979	5348	X-RAY DIFFRACTION	99.98
3.28-3.39	0.2836	284	0.1906	5386	X-RAY DIFFRACTION	100
3.39-3.51	0.244	304	0.1719	5356	X-RAY DIFFRACTION	100
3.51-3.65	0.2123	291	0.1617	5351	X-RAY DIFFRACTION	99.96
3.65-3.81	0.2233	271	0.1538	5392	X-RAY DIFFRACTION	99.96
3.81-4.01	0.2147	298	0.1496	5386	X-RAY DIFFRACTION	100
4.01-4.26	0.2061	289	0.1447	5429	X-RAY DIFFRACTION	99.97
4.26-4.58	0.1786	276	0.1276	5441	X-RAY DIFFRACTION	99.98
4.58-5.04	0.1847	281	0.1266	5438	X-RAY DIFFRACTION	99.98
5.04-5.75	0.1937	272	0.1565	5473	X-RAY DIFFRACTION	100
5.75-7.19	0.2277	290	0.1739	5512	X-RAY DIFFRACTION	99.97
7.19-19.99	0.1692	259	0.1475	5714	X-RAY DIFFRACTION	99.4

Refinement TLS params.

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

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.02985953364	-1.22673265195	-2.141211516	5.6558719307	5.61186157558	7.55048646903	-0.0998494208013	0.276955840249	-0.908665362266	-0.0634097537322	-0.600924463146	-0.555194367115	0.529344265363	0.335699930571	0.56880912391	0.745997640521	0.201701749446	0.176598662977	0.472322307081	0.0278759427674	0.720567990598	68.0506834667	-30.1078441898	55.6632519405
2	4.2321183207	-1.12476402036	-4.16738787746	2.02810014787	1.05432855531	4.19680028136	-0.175825987249	-0.493388066547	-0.653452976613	-0.167072299036	-0.0102735075995	-1.10909286915	0.461589817579	1.05338742147	0.323485059738	0.632391138723	0.165324842075	0.0322019743686	0.511757434356	-0.0117589353021	0.583470216606	64.0916216099	-34.9193108434	67.2571204215
3	7.98942925091	-0.757591393224	-1.74296124431	5.06940439603	5.07906887719	5.16395524405	0.467265040528	-0.77869034122	-1.31670573038	0.118952466562	-0.72147273406	-0.740958718543	1.13571865974	0.0695050254892	0.181987734244	0.842518675568	0.0804291913398	0.0158025077383	0.595914409462	0.14867682911	0.617906679544	56.424583315	-41.0476392414	68.8624512582
4	2.41870880017	1.79865161113	-0.360662536839	2.16463822393	0.11451841253	2.84327690695	-0.0382854353705	0.107715024792	0.0198521733988	-0.60406165221	-0.0242011627187	-0.239257638147	0.12084707233	0.219219788368	0.00149387865874	0.549216257838	0.0772857360774	0.0642857919656	0.383375878556	-0.0068817898493	0.297998684411	59.2017743985	-18.0843598251	57.2290934163
5	6.46081712108	-3.19640792082	2.70082078244	7.32638585006	1.21162423515	4.45867840475	-0.106611416851	-0.0676976534302	0.651776438588	-0.0262954584719	0.0118628108565	-0.0245642782484	-0.0809906800532	-0.0673891815912	0.135396719481	0.42684895485	0.0390544547323	0.024796225317	0.330805762875	0.0482836897862	0.370482780162	59.0428066817	-4.86064176397	63.1425895449
6	3.04001026916	1.39527155221	-2.93441114004	2.2003548478	-0.832350584626	2.98165576224	0.37013154851	1.99010763515	0.528375732374	-0.875732691798	-0.113295101885	0.912208029772	-0.561436822884	-0.448008065447	-0.32380030119	0.530362506422	0.0987541112578	-0.057200768236	0.49633214843	0.067358797845	0.490439761703	46.8988791628	-14.4631707498	60.5618638675
7	5.90523237197	2.80441324241	5.76723774636	2.29504348884	2.64007326453	5.69038469286	0.681262954878	-0.348951573363	0.359994051003	0.589368421354	-0.945368654208	1.29067192885	1.08847651837	-0.102653939831	0.475232574033	0.6020006653	0.0949406498412	0.0282082757989	0.552762941505	-0.0328615186429	0.607666381438	49.1124117222	-15.1871350691	70.3669642655
8	7.1266482573	-4.12523593809	1.56947346537	4.25318354972	-3.12907644059	3.08157567197	0.268194661808	0.219372839567	-0.5714434571	0.140283236798	-0.279941285261	0.426123314467	-0.122784018033	0.171426124535	0.154273944739	0.478453677635	0.0203359479135	0.0431700825752	0.445718199139	-0.0273117151804	0.461878506208	51.2871391514	-2.30910696219	68.6819170357
9	7.16925747084	5.25095328547	-5.04544217164	3.82948853538	-3.72843000784	4.69357989016	-0.246849105429	-0.446640580064	-0.192023039304	-0.841933290815	0.4128655018	1.88341021251	0.171522453097	-0.646311702265	-0.253900154426	0.614799705217	0.124442018908	-0.0947816681365	0.46287961587	0.0039510500845	0.630325245803	37.243121557	9.5432491079	64.8346086372
10	5.85060902885	-1.63365461899	3.37622331705	9.49365267069	0.206482476479	2.15134541349	0.116402574952	0.19285751334	-0.0261820087865	-0.602085173128	-0.267133365196	-0.36981746698	0.307375703189	0.712572516201	0.170379621844	0.511959920249	0.0815225493855	0.187094398585	0.49166138478	-0.0423259024099	0.459794290088	68.2739378517	-15.8824038172	60.1831989142
11	7.42707116722	7.53223980623	1.20192728275	7.90300114479	0.708252909061	0.79425408549	0.292635851597	-0.841833423861	-0.453844832172	0.274424691288	-0.49307624928	-0.238545843809	0.308154242157	0.141093246312	0.185054516718	0.48173620026	0.131509553119	0.063994862116	0.445424517762	0.00209210742959	0.43343413641	54.4053357298	-26.0988372439	68.1264939089
12	2.30599694454	-1.28810920981	-1.20595637653	0.839164424765	0.693945377643	1.07347749776	0.773248059109	0.709334123512	-0.944668140542	-0.0929381849942	-0.594341356168	0.205788903266	0.36050776532	-0.287159805353	-0.100498093702	0.720422302383	0.0507625060666	-0.00153047594228	0.499635233952	-0.0336505559789	0.765946433685	49.6463705085	-43.7990638844	63.8759040462
13	7.91952061425	-4.93659709538	-4.61179581067	7.62996738462	4.61336317132	5.67667332102	0.334549068567	0.425603646909	0.15313029055	-0.615576181162	-0.408836898729	0.0523872188799	-0.139425172517	-0.0185929737465	0.0614381035446	0.58774643511	0.0466301575184	-0.0846825550242	0.464865522289	-0.014402543418	0.324549407521	53.1012415927	-29.9698496857	53.7431160511
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29	4.17766530683	1.94220604463	-3.69429776275	9.57666397633	1.10901787759	4.21788061926	0.500340996836	-2.58603609837	2.3389554869	1.39411427472	0.175546680056	-0.689680728536	-0.560848406326	0.173508944157	-0.980064774377	0.566616081371	0.0253418336958	0.131631956677	0.779282763275	-0.0706543179899	0.695807984102	14.1377054207	-6.41149292285	84.5056278292
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65	7.26492757942	-6.11791356065	-1.94410263213	5.54159779578	-0.0767884975839	9.13407902319	0.0182588075318	0.72106272787	1.23716087382	-1.46582197236	0.574758295361	-1.80045938331	-0.772927705435	-0.0967138388154	-0.552083695987	0.588008109072	-0.109382894395	0.323763635528	0.861031968344	-0.257748511691	0.946904250292	59.1714242627	26.5713827462	29.8948512801
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67	6.88797804403	-1.48253507963	-2.41278128005	6.73965105172	2.48577044535	7.91111420206	0.0763964191916	-1.06055437056	1.41112124248	1.14850317481	0.0739539849707	-1.05325262458	-0.744210559889	0.524237719802	-0.163302034363	0.943368395163	-0.226985775789	-0.22637470434	0.6507266125	-0.0267189319942	0.867405328582	52.8358653376	46.5246356514	66.8607981983
68	2.13196101693	-5.86223869803	3.51139395404	8.35352488785	-5.48614877322	3.44250481312	0.239418090497	0.723558726086	1.34125335617	0.549604003208	-0.58750083087	-0.859545304024	-0.558709119787	0.481516482099	0.363082371389	0.633618603764	-0.177760377895	0.063694434746	0.547725949292	0.0370012369818	0.595415026126	42.8657478843	48.739261534	54.3302653589
69	7.53689630984	-5.38337365969	0.707178682984	4.3069370676	-1.50705732795	0.975566043086	-0.188806392255	0.162122449729	-0.177365196989	0.949108187162	0.0246838445758	0.027958797524	-0.504232591701	0.419447153476	0.188083792457	0.550632964108	-0.109962290482	-0.0237575109183	0.422434215533	-0.0532371827844	0.301201522543	48.7627402268	31.5736459915	65.7180544592
70	2.0065956793	-6.77073639678	8.0698340533	4.20822859393	-4.94850177074	9.55636025209	0.145411311695	0.695923957737	-0.857665942238	-0.224510676257	-0.479684573571	-0.409281657119	0.342539142216	1.19235477662	0.588704669637	0.507918115133	0.0115068433938	-0.0548111759567	0.806489616698	-0.0244588962577	0.695918691599	61.218592346	17.9580307256	61.9679266354
71	7.83843749894	3.33586573275	-6.98262978193	8.3896369162	-0.0318142153707	8.00149138233	-0.282281391283	0.536846584544	-0.0641681559419	-0.283508626409	0.275826135726	0.511282476664	0.157914415567	-0.387535193602	0.017806197909	0.446489935231	0.00104560409672	-0.0676647825066	0.523845470646	-0.0608848022292	0.425142364342	49.5106521806	18.1915204952	59.3248536539
72	3.63423024346	-3.57085952371	-0.999039321676	3.60271029858	0.836200690397	2.07518002864	-0.171137300237	-1.18676525711	-0.0530919410734	0.52399598774	0.484480862634	1.40794004155	0.188003173531	0.20102648393	-0.295222438619	0.495053824877	-0.0515189630127	0.0509752357263	0.525533023021	0.0628268808722	0.614076023477	39.3329164508	22.4771107013	63.1584772918
73	2.40820306768	-0.877582250807	0.452218292272	2.35390725495	-2.109222312	5.79444437208	0.10773841532	0.21708865559	-0.258633627758	-0.0971108138455	0.29073069978	0.393833982238	0.319493572174	0.311682279718	-0.436007689924	0.368704880738	-0.0171176360264	-0.0678403494537	0.353824880984	-0.054283833907	0.470610912488	45.3141967277	16.4371316277	54.0884987949
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75	5.85982230948	-1.44062053454	-1.99038862728	5.99153865629	-2.54124101841	7.66677374576	0.127879497053	-0.27551520367	0.703058517463	1.14624700515	-0.0721388958306	-0.753298683769	-0.581141312982	1.13783331741	0.0206613474521	0.522837522054	-0.164761177886	-0.0738351362388	0.610756977149	-0.0958310430777	0.519764245854	58.6886792879	31.9912289967	63.4324816305
76	4.68630951954	-6.20407662068	-0.53529442428	7.0247119582	0.274853130702	1.95821599022	0.448258568269	0.858759968731	0.26215800535	-0.340759789229	-0.374555253594	-0.0700386150758	-0.189511879862	0.172073907438	-0.0601608353187	0.593615069367	-0.131461753094	0.000544772065656	0.430373151386	-0.0266735269444	0.380914782052	42.1933794992	35.6501251866	54.6965968181
77	7.10384931466	3.80304358677	5.61953111177	5.45099358965	3.17455137711	4.45124488433	-0.393860458438	-0.422189798913	1.52624533382	-1.09719372813	0.121147930226	0.27081456481	-0.812048166212	-0.175465696965	0.432912482205	0.764445551829	-0.080115912526	0.128779274299	0.400192281593	0.070173050268	0.730170956926	29.7667040335	50.3504579602	58.5534352963
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79	8.06553133867	4.61084354155	2.93281163739	3.82751261625	4.67958086573	7.78927146029	0.655892990786	-0.641276787596	-0.644112522009	0.859618981672	-0.674802754776	-0.0956025542122	0.685850648993	-0.6123607513	-0.108325178949	0.444856886351	-0.108068809288	-0.033959721613	0.585999727449	0.0354520642627	0.428531011259	1.85338909109	5.74915411501	47.008558936
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97	9.05340279409	-0.384095585127	-0.618346415682	3.31306908216	3.31401386799	3.32093816529	-0.118242258388	-1.49158587722	-0.74353946354	0.770426062623	0.0977086280189	-0.600311449214	0.663975390733	0.609718564307	0.118176654347	0.503331839263	0.0900201715082	0.0391602857198	0.709658933387	0.0938283198402	0.627378061425	4.75274009987	14.0578122728	114.373861254
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100	3.33399916499	3.0661517974	-3.87176584413	2.85566263459	-3.69190643402	4.59266956361	-0.0443769598076	-0.570442214925	1.30020695742	0.434451398329	-0.00925053899181	-0.261281379745	-1.971179712	0.25588000345	0.128502616852	0.754157965783	0.0646079872937	0.131720905877	0.739059252314	-0.103406402473	0.727963832727	1.6500430655	36.1641123728	116.669958147
101	7.99067908018	6.76651766028	-0.223952816514	4.73329018441	-0.768569098277	1.90260250885	-0.202550052893	0.298534135183	-0.236126520185	-0.485175689593	0.161312569566	0.0560910439896	-0.184344804732	-0.385242703808	0.0631243848092	0.412713891681	0.134729570557	0.111497528705	0.788933155632	0.0530835013388	0.498910261072	-8.67516637768	16.98333016	106.286428763
102	7.5044834716	2.18529089357	1.57338700859	4.81604004778	1.20143477523	3.50902244219	0.0355902380369	-0.975489482125	-0.380524345842	0.237494646158	-0.200487892738	0.529817915016	0.314498360578	-0.61057394657	0.116354644203	0.488101940974	-0.00678218416446	0.0759177811065	0.890046965378	0.116726511134	0.497596475881	-15.4611542125	7.29239048163	113.832503147
103	4.93557334559	-4.09114463663	-4.77476294929	7.12311811513	1.97893510285	4.33389639134	0.45264151031	-0.546326169297	0.539911516757	0.275665807769	-0.323998868106	-0.146721942987	-0.308181857156	-0.114775644016	-0.295335067211	0.588553917122	-0.013467667483	0.0541273186407	0.796056896183	0.0119961038041	0.438851791417	-12.3673111144	16.7445102471	123.760469886
104	6.16451382166	-6.23717930048	-5.34728194546	9.37761489428	5.91892621361	4.75668076363	-0.691727274478	0.10403856564	-0.804464922532	0.548070963796	0.326525042983	-0.209487066053	0.771881699307	0.353858929272	0.419173187123	0.543773360754	0.0344543722929	-0.00945911937753	0.610350722899	0.0408428360596	0.539329095148	21.6279192604	-23.5046415828	98.2073112501
105	4.42565975068	-0.594717562627	-2.96565124785	1.687837285	-0.167903752835	8.12827277066	0.0403531466571	-0.311902882495	-0.00747007708498	0.336115444971	0.208371765393	-0.103350825352	0.309005605948	-0.00631888058019	-0.174825941288	0.426346051644	-0.0117732217733	-0.0644566470187	0.583572603175	0.0901173487552	0.390110542102	2.22547313394	-16.5117200424	114.133853973
106	5.9613586691	1.29419860117	-2.19969804009	1.88873352681	-1.56518186974	3.41733278727	0.122660276063	0.0626475102082	0.0711766029143	0.0939046692789	0.137720839559	0.0918485147092	0.131953190991	-0.462970855063	-0.326193884367	0.345222247612	0.0123527307882	-0.0182331337416	0.433787552247	0.0505278561443	0.375358224313	4.43488321049	-9.7232672904	108.055843343
107	8.26494594299	-1.61793321847	-6.7329187054	2.77791565372	1.84827420135	8.85184512833	0.138139609917	-0.441147814704	0.875186781606	0.304076873623	0.278771760107	-0.237712652074	-0.431776676044	0.337608467929	-0.343066626232	0.350154576773	0.0244710970325	-0.0303684706963	0.517457667227	0.0204875162302	0.519358926838	19.7492277447	-1.85594619093	104.995288833
108	4.77950556105	0.827214913791	-5.39830073813	1.15096013708	-1.0295668885	6.10443574264	-0.0873120444566	-0.77505288631	1.01361551569	0.831920950465	-0.425402515129	-0.201479078739	-0.468368006305	2.23568547788	-0.514938368168	0.557936795447	-0.0341248866326	-0.0812625065398	0.858110771636	0.172099788698	0.793988367218	10.3860622895	-15.2851499155	119.51642389
109	3.86862133783	5.20002413937	-3.87520505141	8.56543057377	-3.79676728393	7.2869254207	-0.12626389449	-0.350670768234	-1.0032550188	-0.135936573106	-0.0258009765778	-0.502059980314	0.790253446038	0.558292967145	0.301223515977	0.378412418534	0.0722974657941	-0.0522655581037	0.419078174259	0.0169741100351	0.564949423348	17.2542821901	-16.6303353656	104.793886595
110	7.40323578395	-1.83362977501	-0.414451504233	3.04505864561	-0.158080516778	0.957622212174	0.156622151772	-1.19045460339	0.251891474259	0.36663465263	0.143550234993	0.0677883148101	0.225210123204	-0.22087572671	-0.269113282388	0.435576707058	-0.00983410333756	0.00529148086416	0.659885043703	0.0714077321237	0.288669729591	-0.0112734654404	-5.6717184753	115.281029289
111	5.33204063523	1.00062025411	-3.34572992008	8.95947487895	2.23189405455	3.40281376924	-0.0577224018847	-0.0124509205613	0.323041243905	-0.150288446486	0.0338665867192	0.390685880336	-0.397445550425	-0.786567303266	0.00528295231711	0.335671067604	-0.0199607261103	-0.0464017057938	0.640732028162	0.138305436556	0.369960996536	-6.40054628864	-4.76551964092	104.890021523
112	5.55432676674	-5.96549051881	-5.91049281385	6.32433314322	6.28869831212	6.2828091946	-0.977227900197	1.36507724381	-0.396465713579	-0.352268432792	0.866434910545	1.06151682799	1.95909895241	-0.811107086488	0.374476852369	0.758813268073	-0.157766518111	-0.0422170760276	0.638698618519	0.111202171685	0.612273715055	-1.33968674059	-25.3120957603	113.285445516
113	9.32083624755	0.644591606013	-1.06787414509	3.24528435346	5.17131055283	8.87520355087	-0.225873376997	-0.0784575776114	-0.369707235184	0.73622184925	1.03910166016	1.39641887983	1.16174691491	-0.486069245064	-0.173941474507	0.620945305352	-0.158926555316	0.090048796987	0.766923356328	0.236462803859	0.59287700725	-7.50822237416	-20.7330069053	120.942158052
114	2.22263720426	-1.07723710441	-0.357511306133	4.31806073133	4.12191880976	4.08546188683	-0.23378012538	0.00601284863509	-0.0509289195993	-0.473875147602	-0.0892604179375	1.80207017305	-0.185705839901	-2.35368056302	0.297460506801	0.628231971089	-0.148593109101	0.0435052057146	1.14578183371	0.15254143237	1.03544035393	-15.0589244164	-18.0283261129	116.230117413
115	8.56995137833	-3.8755181015	-2.89037153165	4.74814021236	-3.39610713853	8.93523182293	-0.359164433266	1.09681124307	-0.78872861107	-0.303587146744	0.159082901128	1.55921508199	1.41822422019	-0.497864294732	0.133136000713	0.818699538316	-0.343760537344	-0.0926030048242	0.799923457347	0.165467069629	1.19033994066	-14.9276079066	-23.1754050175	95.2150532468
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117	4.28355804353	1.13993435057	-0.749231672996	3.84970835825	1.91992284113	2.91900866687	0.406447968881	-0.152538200485	0.224281128199	0.787258351474	-0.500393828101	2.07326822333	-0.285617159197	-1.73276133171	-0.0640197586569	0.515033344827	0.023275266689	0.0684096886485	0.994471353573	0.0942378685508	0.714425000626	-24.9072250406	4.08960821905	93.0981609495
118	1.25993554351	-0.303500069071	0.912153118425	1.62208028628	-1.33036771882	1.19726926337	0.577151344708	0.670194233852	-0.276432896831	-0.764597337736	-0.507601615277	0.235616143934	0.143109286987	-0.555220725294	-0.0448071772777	0.425168298341	-0.0452793890496	-0.0687449858406	0.735111442007	-0.0088606148533	0.417357462302	-10.4441686762	-8.17071171023	82.6062005343
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120	6.27653248415	-3.11217370158	0.306532130995	8.08324564929	-5.13686070792	9.92461208953	-0.19686669279	0.251705009707	0.381283534147	-0.186686659226	0.0298443555705	-0.6424093572	0.329613504779	0.1347212857	0.212872864408	0.372104931675	0.00639252760108	-0.0217807398604	0.599722400925	0.0739619523245	0.551085479033	1.17384542499	-4.02246175761	89.0405154795
121	7.46571256308	-0.95665254369	-2.89147988321	2.24700067159	1.48423463123	1.82654870642	-0.241878330663	0.734627468143	0.522061481762	-0.450178472372	0.369304687097	-0.218014418108	0.283159843551	0.207044379974	-0.0561116774915	0.459534006492	0.133661146045	-0.0447974860763	0.629175410417	0.0678601092319	0.492818796506	13.7631219229	-14.0421910789	92.9041710393
122	3.4475760111	-2.27064869283	-0.207730877928	8.79645202333	0.133443737696	2.41758540076	0.34746625024	0.0428800206734	-0.124535402071	-0.327278686489	-0.334304500062	0.395489016858	0.225111323715	-0.53734253237	0.0902189947654	0.435161584126	-0.135938377971	-0.101742348396	0.644149124356	0.0581260681742	0.518138637904	-14.9674131333	-16.6501484268	85.6203130334
123	1.59123928021	-1.59973260692	-0.797735713528	2.06211791326	0.61565435773	1.52301752493	0.187374058811	-0.129337191077	0.201849794238	0.626453740462	-0.358918152355	-0.126355534152	-0.0214332082568	-0.413344669773	0.0147724450595	0.360766105978	-0.000342049272514	-0.0406516774786	0.753479949043	0.0483531547118	0.453038807422	-12.1315882449	0.471404179137	93.454851929
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144	6.06594617844	5.4986380064	-2.43256200461	4.17435601371	-2.00661612822	1.50286466206	0.15064243991	-0.418736331665	0.513036748426	-0.286505133586	-0.229581984827	0.33482815426	0.164841595043	0.316970257191	0.0562367065484	0.469628174278	-0.0101293033125	-0.0494803496315	0.61350897398	0.0300873380035	0.473383435834	23.1011007558	-20.968198274	17.2668501461
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163	2.20147153474	-2.8863359169	-1.53553378868	4.19502745769	2.86977818304	3.35822513553	0.569191303044	0.191633764819	-1.40765526115	-0.975461416765	-1.55186597195	1.26489305927	0.58756953714	-0.260514470794	0.809632059665	0.739887939022	-0.200653307806	-0.0788149135207	0.601579059342	-0.0571464377096	0.733297202119	-17.4645987346	-28.1622085336	29.5340533847
164	6.34385936766	5.17005362818	0.369457000936	3.98702880745	0.034089188225	0.929808101938	0.374684951104	0.126040355595	0.0568092054852	0.951092369	-0.344054201515	0.284563478377	0.178264995889	-0.471924568532	0.00483627611237	0.426942357446	-0.096593748665	0.0408254813812	0.731363207605	0.0153482982662	0.350657460728	-11.7603536895	-6.21526885324	41.2491285397
165	3.78109706987	-1.63735123298	-3.72751553303	2.08993777482	1.8145898278	3.97412863992	0.462191794478	-0.268981084475	0.933661449807	-1.15637662688	-0.829373235532	0.0340731184416	-1.01769234686	-0.674046838686	0.597525023801	0.604594948053	0.102472450885	0.00738642245032	0.703945075892	-0.061710384479	0.717180622324	-11.1498153394	12.3462992635	36.8256295832
166	4.87375304923	-1.05907579399	3.13581543465	7.11570674932	-3.13800878906	3.30360005716	0.0810666781241	0.459478547917	-0.195865898648	-0.0950470515258	0.105763386046	0.301136658736	-0.097076610193	-0.342513833375	-0.259269751933	0.354537500728	-0.0265985838404	0.0205141116872	0.65394815382	0.0550203591057	0.398927827762	-3.6854563849	3.74621560965	33.7110789322
167	8.78540312504	6.53334363305	4.71842144222	5.61912862314	4.53570272146	4.07966325712	0.853181638441	-0.691329238927	-0.964167630313	0.554387637834	-0.240534705148	-1.94128679672	-0.00796571912572	-0.0345208850852	-0.470226784491	0.549086856386	-0.0707614817157	-0.0131120878918	0.630178844033	0.0294007775836	0.579027798752	1.19670154943	-5.44583774316	38.4462340731
168	4.5142205121	4.37154052541	2.16879988001	7.1075611519	-0.645295188235	2.81970730701	-0.111852635553	0.336045733929	-0.495346712561	-0.510376719042	0.47467416742	-0.71924069284	-0.0570874676869	0.139496045932	-0.396583110845	0.493977882182	-0.0528362676315	0.0384162063636	0.5762742938	-0.0146611249026	0.437693877336	0.914544244003	1.74255602176	28.9772094348
169	9.23733934421	3.12787347013	0.293854247587	2.14909967911	2.76772973988	6.42810920825	1.40054740948	-0.209833326319	-0.505627577293	0.789518294939	0.215327235037	-1.27194649881	-0.181965900848	0.266811627092	-0.415396397361	0.805474841841	-0.219368883774	-0.013628365215	0.483185401412	-0.0660122257966	0.638477442108	18.4160402287	11.3828970706	32.5827538369
170	2.20925007933	0.619763078612	2.30919245864	2.34919880289	3.28077161998	7.26380560979	0.058766188377	-0.791877856602	-0.173764127704	0.832979802984	0.0299501283268	0.831108751449	0.206347242801	-0.321055141745	0.022516641013	0.495561770873	0.0100981011226	0.0814887326606	0.85700044867	0.0793503117128	0.487554539852	-19.1518961234	0.42537515737	39.047716257
171	1.49829973575	-2.45658483255	0.772971551512	3.2243763849	-1.70407311161	2.36292519599	0.171110517419	0.369252979232	-0.290287059962	-0.574333502378	-0.320690276301	0.371451440205	0.293377811171	-0.474951928955	0.130231231747	0.387672736148	-0.131084047639	0.0128691409279	0.653476840095	-0.0473358283219	0.490285605395	-10.3208951115	-14.1823649039	30.3887123717
172	4.95288293308	0.343719190356	-1.67954006755	3.66958059297	-0.315695021332	2.26810770483	-0.0754801252004	-0.161087758132	-0.502136532071	0.67216314757	-0.0598989418141	0.143495468357	0.23372644022	-0.369159070027	0.142700876682	0.533765838262	-0.159262681069	-0.032010338847	0.722347884206	0.0838900310727	0.417490801831	-10.3122777609	-21.5971296629	42.7368854167
173	5.92883924298	4.82781768013	-6.11980385067	4.06734531265	-4.96312003008	6.38397092395	0.257140779283	-1.04126574151	-0.492846012816	0.129322370437	-0.018402835025	-0.581980536016	-0.274247389541	0.757103773096	-0.320751415542	0.445903152235	0.0834388553787	-0.0405566419199	0.648399524509	-0.139523961965	0.596328219691	38.8762614412	-22.0404370573	21.1320670127
174	4.80876674544	0.680229717875	-0.578012120751	2.34188162746	-3.91021625588	6.85679984828	-0.374962450999	-0.279211079947	-0.1428413814	0.378583317276	-0.0323625891255	-0.171350565031	0.576723052448	0.292601847137	0.21878378591	0.527225578072	-0.0188566989045	-0.143374950532	0.503774735238	0.00360627558858	0.399871807937	20.7011352391	-29.6840398659	38.9761709238
175	3.86441137052	3.46444998673	-1.36335325248	6.58402910229	-2.76836762065	2.47602740936	-0.0507904963095	0.118931657746	-0.0698540263291	-0.294169408665	0.225483909146	0.189874298611	0.441822625968	-0.0559847305484	-0.253171078881	0.319281189582	-0.0107693581908	-0.0664717174365	0.485376356973	-0.0263150355322	0.42486183531	17.8339025769	-23.5911778284	31.7583168159
176	6.52027282195	-3.2709066966	-2.1612998443	8.60924212053	1.56080263954	2.28555455252	-0.0340395095304	-0.42261980944	0.910750175319	0.282041588033	0.335589556163	0.207619739251	-0.0663953825492	0.193901576294	-0.355368513241	0.413203231379	-0.0861298964583	-0.0295518074136	0.470414604878	0.00960376506941	0.366591493507	23.0834431333	-7.20919230313	28.4215046399
177	3.03068513828	-1.44351946902	2.82913711996	3.31068695029	-2.80730474892	3.71157667917	0.234579988034	0.0453777250315	0.0146244849772	0.541710310386	-0.498957000764	-0.66045497454	0.802667530771	0.972947527534	0.185411513199	0.49099337123	-0.0176103651588	-0.116566426017	0.441468433491	0.023775554558	0.476756149772	30.0307123153	-22.5462231511	32.3584963259
178	6.73676213393	-6.93507786654	-6.04026932091	7.62321585075	6.19063621518	5.40730267063	-0.262964952404	-0.216840565372	0.713902193582	-0.124546698378	0.0821029173195	0.137770841593	-0.441169360122	1.16464991149	-0.071329304443	0.470649961473	-0.0556315621794	-0.076119549406	0.621255949504	-0.000585119406651	0.547687090323	33.3696668454	-14.1051837194	26.0390919314
179	3.77907401528	3.17464534121	-1.73187494634	6.05112420047	-1.95290665534	1.43768624425	0.378882479568	-0.942492600628	0.158592080363	0.641506652872	-0.25275660063	0.301131139544	0.152952918742	0.0528134807457	-0.110342815086	0.53159458606	-0.0875403152266	-0.0550194206528	0.556685636372	0.0133476925076	0.315422813174	11.9080027368	-23.7539107729	39.1266346141
180	3.28624863191	-2.44371028895	0.272111073018	6.00556379846	-5.12666189496	5.35546372247	0.200963539252	0.461321114342	0.20357423252	0.226567891823	0.206203592759	1.12913492628	0.282402202148	-0.697666056172	-0.351349372573	0.491104176155	-0.11891375815	-0.0598077218923	0.70008112951	0.0526825459477	0.503807707395	4.84266366694	-27.6379112476	31.2907536908
181	6.66258922237	-2.26060022614	-0.593622903436	8.40448635244	7.3415078754	6.91960513305	-0.0689729763437	-0.189035514018	-0.270508674484	0.925847259755	-0.158472747468	-0.301074693165	0.516164483136	-0.963555879913	0.173301238744	0.602025788072	-0.0481065766574	-0.0972917854206	0.65348022024	0.074565383267	0.400986912371	9.46563349067	-28.6258781459	25.1107692554
182	5.92674683695	-5.03820540008	-7.23225471618	4.37899358765	6.15414661594	8.80387521275	0.215423889651	-0.329491578175	-1.80776750589	-0.411532592559	0.0435679009401	-0.175387686671	1.77205047304	1.01015316341	-0.407388845334	0.914198559373	0.0446654140712	-0.176865729259	0.628200260027	0.157597700557	1.05561633079	27.1987908074	-38.7503307887	36.8305863303
183	6.65869056042	-1.32285869843	-3.33755165841	7.53178788704	4.82432410616	3.99289213575	0.503662590535	-0.993792747187	-0.869019831122	0.669640685041	0.14974050615	-0.0333078916582	0.86254762659	-0.648331043955	-0.593490940088	0.676885654392	-0.16337358412	-0.150921772026	0.640371165106	0.172111556809	0.72736328225	16.5888348559	-40.3900002381	41.3310282698
184	2.94823659839	2.48973104613	-1.86984051674	2.15798357029	-1.77080745516	2.88972351444	0.353336802841	2.37923385558	-5.90748767457	-1.92740280543	0.681575396524	-0.376658313599	0.298724381931	0.91393509626	-0.999747790725	1.41689124013	-0.0628571612594	-0.268071985917	0.731252641032	-0.277788356214	1.62880521284	13.189677649	-48.1336837806	15.9304491154

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 16 through 26 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 36 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 37 through 44 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 45 through 73 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 74 through 89 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 90 through 96 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 97 through 101 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 102 through 111 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 112 through 118 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 35 through 55 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 56 through 83 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 84 through 90 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 91 through 124 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 40 through 56 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 57 through 78 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 79 through 113 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 114 through 133 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 26 through 47 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 48 through 82 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 83 through 101 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 459 through 463 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 464 through 473 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 474 through 487 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 16 through 35 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 36 through 44 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 45 through 73 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 74 through 96 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 97 through 111 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 112 through 118 )
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 36 through 83 )
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 84 through 123 )
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 40 through 56 )
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 57 through 78 )
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 79 through 113 )
35	X-RAY DIFFRACTION	35	chain 'H' and (resid 114 through 133 )
36	X-RAY DIFFRACTION	36	chain 'I' and (resid 26 through 30 )
37	X-RAY DIFFRACTION	37	chain 'I' and (resid 31 through 47 )
38	X-RAY DIFFRACTION	38	chain 'I' and (resid 48 through 82 )
39	X-RAY DIFFRACTION	39	chain 'I' and (resid 83 through 93 )
40	X-RAY DIFFRACTION	40	chain 'I' and (resid 94 through 101 )
41	X-RAY DIFFRACTION	41	chain 'J' and (resid 459 through 468 )
42	X-RAY DIFFRACTION	42	chain 'J' and (resid 469 through 478 )
43	X-RAY DIFFRACTION	43	chain 'J' and (resid 479 through 487 )
44	X-RAY DIFFRACTION	44	chain 'K' and (resid 16 through 36 )
45	X-RAY DIFFRACTION	45	chain 'K' and (resid 37 through 44 )
46	X-RAY DIFFRACTION	46	chain 'K' and (resid 45 through 72 )
47	X-RAY DIFFRACTION	47	chain 'K' and (resid 73 through 89 )
48	X-RAY DIFFRACTION	48	chain 'K' and (resid 90 through 96 )
49	X-RAY DIFFRACTION	49	chain 'K' and (resid 97 through 111 )
50	X-RAY DIFFRACTION	50	chain 'K' and (resid 112 through 118 )
51	X-RAY DIFFRACTION	51	chain 'L' and (resid 36 through 55 )
52	X-RAY DIFFRACTION	52	chain 'L' and (resid 56 through 83 )
53	X-RAY DIFFRACTION	53	chain 'L' and (resid 84 through 123 )
54	X-RAY DIFFRACTION	54	chain 'M' and (resid 39 through 56 )
55	X-RAY DIFFRACTION	55	chain 'M' and (resid 57 through 78 )
56	X-RAY DIFFRACTION	56	chain 'M' and (resid 79 through 113 )
57	X-RAY DIFFRACTION	57	chain 'M' and (resid 114 through 133 )
58	X-RAY DIFFRACTION	58	chain 'N' and (resid 26 through 30 )
59	X-RAY DIFFRACTION	59	chain 'N' and (resid 31 through 40 )
60	X-RAY DIFFRACTION	60	chain 'N' and (resid 41 through 47 )
61	X-RAY DIFFRACTION	61	chain 'N' and (resid 48 through 82 )
62	X-RAY DIFFRACTION	62	chain 'N' and (resid 83 through 93 )
63	X-RAY DIFFRACTION	63	chain 'N' and (resid 94 through 100 )
64	X-RAY DIFFRACTION	64	chain 'O' and (resid 459 through 463 )
65	X-RAY DIFFRACTION	65	chain 'O' and (resid 464 through 473 )
66	X-RAY DIFFRACTION	66	chain 'O' and (resid 482 through 487 )
67	X-RAY DIFFRACTION	67	chain 'P' and (resid 15 through 26 )
68	X-RAY DIFFRACTION	68	chain 'P' and (resid 27 through 44 )
69	X-RAY DIFFRACTION	69	chain 'P' and (resid 45 through 72 )
70	X-RAY DIFFRACTION	70	chain 'P' and (resid 73 through 79 )
71	X-RAY DIFFRACTION	71	chain 'P' and (resid 80 through 89 )
72	X-RAY DIFFRACTION	72	chain 'P' and (resid 90 through 96 )
73	X-RAY DIFFRACTION	73	chain 'P' and (resid 97 through 111 )
74	X-RAY DIFFRACTION	74	chain 'P' and (resid 112 through 118 )
75	X-RAY DIFFRACTION	75	chain 'Q' and (resid 36 through 55 )
76	X-RAY DIFFRACTION	76	chain 'Q' and (resid 56 through 83 )
77	X-RAY DIFFRACTION	77	chain 'Q' and (resid 84 through 90 )
78	X-RAY DIFFRACTION	78	chain 'Q' and (resid 91 through 123 )
79	X-RAY DIFFRACTION	79	chain 'R' and (resid 40 through 56 )
80	X-RAY DIFFRACTION	80	chain 'R' and (resid 57 through 78 )
81	X-RAY DIFFRACTION	81	chain 'R' and (resid 79 through 113 )
82	X-RAY DIFFRACTION	82	chain 'R' and (resid 114 through 133 )
83	X-RAY DIFFRACTION	83	chain 'S' and (resid 25 through 30 )
84	X-RAY DIFFRACTION	84	chain 'S' and (resid 31 through 40 )
85	X-RAY DIFFRACTION	85	chain 'S' and (resid 41 through 47 )
86	X-RAY DIFFRACTION	86	chain 'S' and (resid 48 through 75 )
87	X-RAY DIFFRACTION	87	chain 'S' and (resid 76 through 93 )
88	X-RAY DIFFRACTION	88	chain 'S' and (resid 94 through 101 )
89	X-RAY DIFFRACTION	89	chain 'T' and (resid 459 through 463 )
90	X-RAY DIFFRACTION	90	chain 'T' and (resid 464 through 473 )
91	X-RAY DIFFRACTION	91	chain 'T' and (resid 481 through 487 )
92	X-RAY DIFFRACTION	92	chain 'U' and (resid 15 through 36 )
93	X-RAY DIFFRACTION	93	chain 'U' and (resid 37 through 44 )
94	X-RAY DIFFRACTION	94	chain 'U' and (resid 45 through 72 )
95	X-RAY DIFFRACTION	95	chain 'U' and (resid 73 through 79 )
96	X-RAY DIFFRACTION	96	chain 'U' and (resid 80 through 89 )
97	X-RAY DIFFRACTION	97	chain 'U' and (resid 90 through 96 )
98	X-RAY DIFFRACTION	98	chain 'U' and (resid 97 through 117 )
99	X-RAY DIFFRACTION	99	chain 'V' and (resid 35 through 48 )
100	X-RAY DIFFRACTION	100	chain 'V' and (resid 49 through 55 )
101	X-RAY DIFFRACTION	101	chain 'V' and (resid 56 through 83 )
102	X-RAY DIFFRACTION	102	chain 'V' and (resid 84 through 103 )
103	X-RAY DIFFRACTION	103	chain 'V' and (resid 104 through 123 )
104	X-RAY DIFFRACTION	104	chain 'W' and (resid 40 through 55 )
105	X-RAY DIFFRACTION	105	chain 'W' and (resid 56 through 78 )
106	X-RAY DIFFRACTION	106	chain 'W' and (resid 79 through 113 )
107	X-RAY DIFFRACTION	107	chain 'W' and (resid 114 through 133 )
108	X-RAY DIFFRACTION	108	chain 'X' and (resid 24 through 30 )
109	X-RAY DIFFRACTION	109	chain 'X' and (resid 31 through 47 )
110	X-RAY DIFFRACTION	110	chain 'X' and (resid 48 through 82 )
111	X-RAY DIFFRACTION	111	chain 'X' and (resid 83 through 100 )
112	X-RAY DIFFRACTION	112	chain 'Y' and (resid 459 through 463 )
113	X-RAY DIFFRACTION	113	chain 'Y' and (resid 464 through 468 )
114	X-RAY DIFFRACTION	114	chain 'Y' and (resid 469 through 473 )
115	X-RAY DIFFRACTION	115	chain 'Y' and (resid 474 through 487 )
116	X-RAY DIFFRACTION	116	chain 'Z' and (resid 15 through 26 )
117	X-RAY DIFFRACTION	117	chain 'Z' and (resid 27 through 44 )
118	X-RAY DIFFRACTION	118	chain 'Z' and (resid 45 through 72 )
119	X-RAY DIFFRACTION	119	chain 'Z' and (resid 73 through 88 )
120	X-RAY DIFFRACTION	120	chain 'Z' and (resid 89 through 101 )
121	X-RAY DIFFRACTION	121	chain 'Z' and (resid 102 through 117 )
122	X-RAY DIFFRACTION	122	chain 'a' and (resid 35 through 55 )
123	X-RAY DIFFRACTION	123	chain 'a' and (resid 56 through 83 )
124	X-RAY DIFFRACTION	124	chain 'a' and (resid 84 through 90 )
125	X-RAY DIFFRACTION	125	chain 'a' and (resid 91 through 123 )
126	X-RAY DIFFRACTION	126	chain 'b' and (resid 40 through 56 )
127	X-RAY DIFFRACTION	127	chain 'b' and (resid 57 through 63 )
128	X-RAY DIFFRACTION	128	chain 'b' and (resid 64 through 78 )
129	X-RAY DIFFRACTION	129	chain 'b' and (resid 79 through 113 )
130	X-RAY DIFFRACTION	130	chain 'b' and (resid 114 through 135 )
131	X-RAY DIFFRACTION	131	chain 'c' and (resid 25 through 30 )
132	X-RAY DIFFRACTION	132	chain 'c' and (resid 31 through 47 )
133	X-RAY DIFFRACTION	133	chain 'c' and (resid 48 through 82 )
134	X-RAY DIFFRACTION	134	chain 'c' and (resid 83 through 100 )
135	X-RAY DIFFRACTION	135	chain 'd' and (resid 459 through 463 )
136	X-RAY DIFFRACTION	136	chain 'd' and (resid 464 through 468 )
137	X-RAY DIFFRACTION	137	chain 'd' and (resid 469 through 482 )
138	X-RAY DIFFRACTION	138	chain 'd' and (resid 483 through 487 )
139	X-RAY DIFFRACTION	139	chain 'e' and (resid 16 through 26 )
140	X-RAY DIFFRACTION	140	chain 'e' and (resid 27 through 44 )
141	X-RAY DIFFRACTION	141	chain 'e' and (resid 45 through 72 )
142	X-RAY DIFFRACTION	142	chain 'e' and (resid 73 through 89 )
143	X-RAY DIFFRACTION	143	chain 'e' and (resid 90 through 96 )
144	X-RAY DIFFRACTION	144	chain 'e' and (resid 97 through 117 )
145	X-RAY DIFFRACTION	145	chain 'f' and (resid 36 through 55 )
146	X-RAY DIFFRACTION	146	chain 'f' and (resid 56 through 83 )
147	X-RAY DIFFRACTION	147	chain 'f' and (resid 84 through 90 )
148	X-RAY DIFFRACTION	148	chain 'f' and (resid 91 through 123 )
149	X-RAY DIFFRACTION	149	chain 'g' and (resid 40 through 56 )
150	X-RAY DIFFRACTION	150	chain 'g' and (resid 57 through 78 )
151	X-RAY DIFFRACTION	151	chain 'g' and (resid 79 through 113 )
152	X-RAY DIFFRACTION	152	chain 'g' and (resid 114 through 133 )
153	X-RAY DIFFRACTION	153	chain 'h' and (resid 26 through 30 )
154	X-RAY DIFFRACTION	154	chain 'h' and (resid 31 through 47 )
155	X-RAY DIFFRACTION	155	chain 'h' and (resid 48 through 75 )
156	X-RAY DIFFRACTION	156	chain 'h' and (resid 76 through 93 )
157	X-RAY DIFFRACTION	157	chain 'h' and (resid 94 through 100 )
158	X-RAY DIFFRACTION	158	chain 'i' and (resid 459 through 463 )
159	X-RAY DIFFRACTION	159	chain 'i' and (resid 464 through 473 )
160	X-RAY DIFFRACTION	160	chain 'i' and (resid 482 through 487 )
161	X-RAY DIFFRACTION	161	chain 'j' and (resid 15 through 26 )
162	X-RAY DIFFRACTION	162	chain 'j' and (resid 27 through 36 )
163	X-RAY DIFFRACTION	163	chain 'j' and (resid 37 through 44 )
164	X-RAY DIFFRACTION	164	chain 'j' and (resid 45 through 72 )
165	X-RAY DIFFRACTION	165	chain 'j' and (resid 73 through 79 )
166	X-RAY DIFFRACTION	166	chain 'j' and (resid 80 through 88 )
167	X-RAY DIFFRACTION	167	chain 'j' and (resid 89 through 96 )
168	X-RAY DIFFRACTION	168	chain 'j' and (resid 97 through 111 )
169	X-RAY DIFFRACTION	169	chain 'j' and (resid 112 through 117 )
170	X-RAY DIFFRACTION	170	chain 'k' and (resid 36 through 55 )
171	X-RAY DIFFRACTION	171	chain 'k' and (resid 56 through 83 )
172	X-RAY DIFFRACTION	172	chain 'k' and (resid 84 through 123 )
173	X-RAY DIFFRACTION	173	chain 'l' and (resid 40 through 56 )
174	X-RAY DIFFRACTION	174	chain 'l' and (resid 57 through 78 )
175	X-RAY DIFFRACTION	175	chain 'l' and (resid 79 through 113 )
176	X-RAY DIFFRACTION	176	chain 'l' and (resid 114 through 133 )
177	X-RAY DIFFRACTION	177	chain 'm' and (resid 27 through 40 )
178	X-RAY DIFFRACTION	178	chain 'm' and (resid 41 through 47 )
179	X-RAY DIFFRACTION	179	chain 'm' and (resid 48 through 82 )
180	X-RAY DIFFRACTION	180	chain 'm' and (resid 83 through 93 )
181	X-RAY DIFFRACTION	181	chain 'm' and (resid 94 through 101 )
182	X-RAY DIFFRACTION	182	chain 'n' and (resid 458 through 462 )
183	X-RAY DIFFRACTION	183	chain 'n' and (resid 463 through 482 )
184	X-RAY DIFFRACTION	184	chain 'n' and (resid 483 through 487 )