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- PDB-9bw8: Structure of P450Blt from Micromonospora sp. MW-13 in Complex wit... -

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Open data

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Basic information

Entry

Database: PDB / ID: 9bw8

Title

Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Fluorinated Biarylitide

Components

Cytochrome P450-SU1
Fluorinated Biarylitide

Keywords

OXIDOREDUCTASE / complex / biarylitide / crosslink

Function / homology

Function and homology information

Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding
Similarity search - Function

Biological species

Micromonospora sp. MW-13 (bacteria)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.86 Å

Authors

Hansen, M.H. / Cryle, M.J. / Zhao, Y.

Funding support

Australia, 2items

Citation

Journal: Chem.Commun.(Camb.) / Year: 2024
Title: Loss of fluorine during crosslinking by the biarylitide P450 Blt proceeds due to restricted peptide orientation.
Authors: Zhao, Y. / Gullick, J. / Hansen, M.H. / Coe, L. / Treisman, M. / Schittenhelm, R.B. / McKay, A. / Murray, L.A.M. / Tailhades, J. / De Voss, J.J. / Krenske, E.H. / Cryle, M.J.

History

Deposition	May 21, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 20, 2024	Provider: repository / Type: Initial release
Revision 1.1	Nov 27, 2024	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID

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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	9bw8.cif.gz	802.8 KB	Display	PDBx/mmCIF format
PDB format	pdb9bw8.ent.gz	558.2 KB	Display	PDB format
PDBx/mmJSON format	9bw8.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9bw8_validation.pdf.gz	1.4 MB	Display	wwPDB validaton report
Full document	9bw8_full_validation.pdf.gz	1.4 MB	Display
Data in XML	9bw8_validation.xml.gz	53.7 KB	Display
Data in CIF	9bw8_validation.cif.gz	71.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bw/9bw8 ftp://data.pdbj.org/pub/pdb/validation_reports/bw/9bw8	HTTPS FTP

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Related structure data

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	#82 - Oct 2006 Cytochrome p450 similarity (1)

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Assembly

Deposited unit

A: Cytochrome P450-SU1

B: Cytochrome P450-SU1

C: Cytochrome P450-SU1

E: Fluorinated Biarylitide

hetero molecules

139 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Cytochrome P450-SU1

hetero molecules

defined by author
46.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

B: Cytochrome P450-SU1

hetero molecules

defined by author
46.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

C: Cytochrome P450-SU1

E: Fluorinated Biarylitide

hetero molecules

defined by author
46.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	63.915, 94.152, 105.003
Angle α, β, γ (deg.)	90.000, 91.770, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 14 through 32 or resid 34...
d_2	ens_1	(chain "B" and (resid 14 through 32 or resid 34...
d_3	ens_1	(chain "C" and (resid 14 through 32 or resid 34...

NCS domain segments:

Ens-ID: ens_1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	TYR	TYR	LEU	LEU	A	A	14 - 32	35 - 53
d_1	2	GLU	GLU	VAL	VAL	A	A	34 - 38	55 - 59
d_1	3	TRP	TRP	CYS	CYS	A	A	40 - 55	61 - 76
d_1	4	GLN	GLN	VAL	VAL	A	A	57 - 83	78 - 104
d_1	5	SER	SER	VAL	VAL	A	A	85 - 110	106 - 131
d_1	6	GLN	GLN	ALA	ALA	A	A	112 - 123	133 - 144
d_1	7	LEU	LEU	GLY	GLY	A	A	125 - 127	146 - 148
d_1	8	PRO	PRO	GLN	GLN	A	A	129 - 163	150 - 184
d_1	9	SER	SER	VAL	VAL	A	A	165 - 169	186 - 190
d_1	10	SER	SER	GLU	GLU	A	A	171 - 204	192 - 225
d_1	11	GLY	GLY	VAL	VAL	A	A	206 - 252	227 - 273
d_1	12	HIS	HIS	ALA	ALA	A	A	254 - 296	275 - 317
d_1	13	LEU	LEU	ARG	ARG	A	A	298 - 329	319 - 350
d_1	14	ARG	ARG	GLY	GLY	A	A	331 - 338	352 - 359
d_1	15	GLY	GLY	LEU	LEU	A	A	340 - 366	361 - 387
d_1	16	LEU	LEU	VAL	VAL	A	A	368 - 392	389 - 413
d_1	17	TFA	TFA	TFA	TFA	A	E	401
d_2	1	TYR	TYR	LEU	LEU	B	B	14 - 32	35 - 53
d_2	2	GLU	GLU	VAL	VAL	B	B	34 - 38	55 - 59
d_2	3	TRP	TRP	CYS	CYS	B	B	40 - 55	61 - 76
d_2	4	GLN	GLN	VAL	VAL	B	B	57 - 83	78 - 104
d_2	5	SER	SER	VAL	VAL	B	B	85 - 110	106 - 131
d_2	6	GLN	GLN	ALA	ALA	B	B	112 - 123	133 - 144
d_2	7	LEU	LEU	GLY	GLY	B	B	125 - 127	146 - 148
d_2	8	PRO	PRO	GLN	GLN	B	B	129 - 163	150 - 184
d_2	9	SER	SER	VAL	VAL	B	B	165 - 169	186 - 190
d_2	10	SER	SER	GLU	GLU	B	B	171 - 204	192 - 225
d_2	11	GLY	GLY	ALA	ALA	B	B	206 - 215	227 - 236
d_2	12	VAL	VAL	VAL	VAL	B	B	220 - 252	241 - 273
d_2	13	HIS	HIS	ALA	ALA	B	B	254 - 296	275 - 317
d_2	14	LEU	LEU	ARG	ARG	B	B	298 - 329	319 - 350
d_2	15	ARG	ARG	GLY	GLY	B	B	331 - 338	352 - 359
d_2	16	GLY	GLY	LEU	LEU	B	B	340 - 366	361 - 387
d_2	17	LEU	LEU	VAL	VAL	B	B	368 - 392	389 - 413
d_2	18	TFA	TFA	TFA	TFA	B	I	401
d_3	1	TYR	TYR	LEU	LEU	C	C	14 - 32	35 - 53
d_3	2	GLU	GLU	VAL	VAL	C	C	34 - 38	55 - 59
d_3	3	TRP	TRP	CYS	CYS	C	C	40 - 55	61 - 76
d_3	4	GLN	GLN	VAL	VAL	C	C	57 - 83	78 - 104
d_3	5	SER	SER	VAL	VAL	C	C	85 - 110	106 - 131
d_3	6	GLN	GLN	ALA	ALA	C	C	112 - 123	133 - 144
d_3	7	LEU	LEU	GLY	GLY	C	C	125 - 127	146 - 148
d_3	8	PRO	PRO	GLN	GLN	C	C	129 - 163	150 - 184
d_3	9	SER	SER	VAL	VAL	C	C	165 - 169	186 - 190
d_3	10	SER	SER	GLU	GLU	C	C	171 - 204	192 - 225
d_3	11	GLY	GLY	ALA	ALA	C	C	206 - 215	227 - 236
d_3	12	VAL	VAL	VAL	VAL	C	C	220 - 252	241 - 273
d_3	13	HIS	HIS	ALA	ALA	C	C	254 - 296	275 - 317
d_3	14	LEU	LEU	ARG	ARG	C	C	298 - 329	319 - 350
d_3	15	ARG	ARG	GLY	GLY	C	C	331 - 338	352 - 359
d_3	16	GLY	GLY	LEU	LEU	C	C	340 - 366	361 - 387
d_3	17	LEU	LEU	VAL	VAL	C	C	368 - 392	389 - 413
d_3	18	TFA	TFA	TFA	TFA	C	L	401

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.492878145343, -0.867342157979, 0.0692005407227), (-0.869746741956, -0.493379093848, 0.0108477928914), (0.0247333519798, -0.0655335848765, -0.99754378879)	3.75248972659, 23.0101758313, 34.5349810128
2	given	(0.518231151796, 0.855108993217, 0.0150027673258), (0.854989908727, -0.518424233986, 0.0151185181216), (0.0207057789684, 0.00499232760691, -0.99977314796)	-29.533173325, -61.0372331973, 68.555160343

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Components

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Protein / Protein/peptide , 2 types, 4 molecules ABCE

#1: Protein	Cytochrome P450-SU1 Mass: 45332.273 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Micromonospora sp. MW-13 (bacteria) / Gene: C5N14_21030 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3E2YLT4
#2: Protein/peptide	Fluorinated Biarylitide Mass: 738.873 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 443 molecules

#3: Chemical	ChemComp-TFA / trifluoroacetic acid Mass: 114.023 Da / Num. of mol.: 5 / Source method: isolated from a natural source / Formula: C₂HF₃O₂
#4: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME Mass: 616.487 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: C₃₄H₃₂FeN₄O₄
#5: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: Na
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 434 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	Y

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.31 Å³/Da / Density % sol: 46.74 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.1 M MES pH 6.5, 12% PEG400 and 14% PEG 20K

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95373 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 15, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.95373 Å / Relative weight: 1
Reflection	Resolution: 1.858→46.73 Å / Num. obs: 103651 / % possible obs: 98.92 % / Redundancy: 3.9 % / B_iso Wilson estimate: 33.03 Å² / CC_1/2: 0.999 / CC star: 1 / R_merge(I) obs: 0.05374 / R_pim(I) all: 0.03053 / Net I/σ(I): 11.17
Reflection shell	Resolution: 1.858→1.924 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.7746 / Mean I/σ(I) obs: 1.83 / Num. unique obs: 10268 / CC_1/2: 0.712 / CC star: 0.912 / R_pim(I) all: 0.4483 / % possible all: 97.99

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.86→46.73 Å / SU ML: 0.2524 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 23.3233
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2071	5168	4.99 %
R_work	0.1785	98424	-
obs	0.18	103592	98.93 %

Solvent computation

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

Displacement parameters

B_iso mean: 45.49 Å²

Refinement step

Cycle: LAST / Resolution: 1.86→46.73 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8679	0	216	434	9329

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	9184
X-RAY DIFFRACTION	f_angle_d	1.2713	12584
X-RAY DIFFRACTION	f_chiral_restr	0.0668	1391
X-RAY DIFFRACTION	f_plane_restr	0.0138	1676
X-RAY DIFFRACTION	f_dihedral_angle_d	12.3214	3354

Refine LS restraints NCS

Ens-ID	Dom-ID	Asym-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	A	X-RAY DIFFRACTION	Torsion NCS	0.599273252711
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.541240235624

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 (%)
1.86-1.88	0.4038	153	0.3873	3279	X-RAY DIFFRACTION	97.81
1.88-1.9	0.3805	150	0.3536	3214	X-RAY DIFFRACTION	98.13
1.9-1.92	0.3886	157	0.321	3290	X-RAY DIFFRACTION	98.04
1.92-1.95	0.3244	159	0.3018	3225	X-RAY DIFFRACTION	98.14
1.95-1.97	0.316	180	0.2693	3214	X-RAY DIFFRACTION	98.32
1.97-2	0.2571	157	0.2502	3293	X-RAY DIFFRACTION	98.52
2-2.03	0.2432	162	0.228	3255	X-RAY DIFFRACTION	98.36
2.03-2.06	0.2493	173	0.213	3263	X-RAY DIFFRACTION	98.4
2.06-2.09	0.2244	187	0.185	3275	X-RAY DIFFRACTION	98.72
2.09-2.13	0.2003	193	0.1895	3170	X-RAY DIFFRACTION	98.59
2.13-2.16	0.2433	165	0.1811	3274	X-RAY DIFFRACTION	98.71
2.16-2.2	0.2295	184	0.1828	3300	X-RAY DIFFRACTION	98.75
2.2-2.24	0.2406	172	0.1803	3231	X-RAY DIFFRACTION	98.9
2.24-2.29	0.2043	151	0.1758	3322	X-RAY DIFFRACTION	98.92
2.29-2.34	0.2184	150	0.1743	3266	X-RAY DIFFRACTION	98.96
2.34-2.39	0.1942	158	0.1774	3303	X-RAY DIFFRACTION	99
2.39-2.45	0.2256	164	0.1774	3295	X-RAY DIFFRACTION	99.03
2.45-2.52	0.2015	172	0.1776	3255	X-RAY DIFFRACTION	99.22
2.52-2.6	0.188	173	0.1673	3291	X-RAY DIFFRACTION	99.26
2.6-2.68	0.2105	169	0.1622	3295	X-RAY DIFFRACTION	99.28
2.68-2.77	0.2013	174	0.1723	3330	X-RAY DIFFRACTION	99.38
2.77-2.89	0.2131	157	0.1833	3287	X-RAY DIFFRACTION	99.28
2.89-3.02	0.2206	199	0.1949	3255	X-RAY DIFFRACTION	99.34
3.02-3.18	0.2375	183	0.198	3306	X-RAY DIFFRACTION	99.37
3.18-3.38	0.2094	174	0.1759	3319	X-RAY DIFFRACTION	99.54
3.38-3.64	0.1966	198	0.1615	3271	X-RAY DIFFRACTION	99.6
3.64-4	0.1805	192	0.1565	3311	X-RAY DIFFRACTION	99.72
4-4.58	0.1879	198	0.141	3312	X-RAY DIFFRACTION	99.8
4.58-5.77	0.1702	187	0.1635	3328	X-RAY DIFFRACTION	99.74
5.77-46.73	0.1904	177	0.1748	3395	X-RAY DIFFRACTION	99.3

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	3.14483574463	-0.24461641631	4.37205424521	4.92772648083	-3.2638170603	8.45978561894	0.288130457046	0.937611193655	-0.309217883939	0.30921998339	-0.269638047479	-1.29846438122	1.83234551333	1.18076535522	0.189574786126	0.517636356387	0.118887069134	-0.070231955105	0.726530033465	0.0115078778825	0.41348942949	53.287	11.884	35.047
2	1.93567425211	-1.64623721424	-0.00852769669792	5.05268701706	1.40115276565	5.92071032334	0.0994740638729	0.204874932262	0.147134225133	-0.152508513187	0.0222189481082	-0.44502532895	-0.380417534181	0.0725944647699	-0.203603362842	0.202892199432	-0.0967939295294	0.00771007190307	0.356319811428	-0.013902867702	0.326114042772	50.215	17.926	29.726
3	2.17539374988	-0.379080660155	-1.00010944275	3.93989474196	-2.06728212902	4.48741827231	0.181848603632	-0.17536215943	0.00909934712135	-0.027922747247	-0.0108122593933	0.0796694266696	0.317370602661	0.484509744937	-0.163102104609	0.275691265223	0.0406123056825	-0.0226586397286	0.326496540278	-0.0662015520537	0.2766341519	47.721	1.362	25.25
4	3.33390874153	-2.81990524981	-3.04597588215	6.92647696007	6.33007614379	5.88613300047	-0.726886812031	-2.05013916484	-0.714164258643	1.5370658265	0.386809212824	0.658312980328	1.75413939171	1.25635595324	0.205932122863	0.686761820253	0.0281479766888	-0.0853443379145	0.875359324965	0.169921692915	0.63872896572	35.54	-9.937	35.926
5	4.80180803286	-2.2480665452	0.0971074345911	4.66751887727	-0.498311517439	2.56010896975	-0.142691141651	-0.478603725629	-0.588556326746	0.710740185361	0.34418079707	0.284489020562	0.236443946501	-0.0200114574833	-0.249521851595	0.40648430115	-0.0779508391327	-0.0287654134508	0.337871473095	0.0247936361692	0.374878478608	22.569	-1.015	27.172
6	5.8812392975	3.77727723476	2.83952612203	4.04569889929	4.02918533883	6.77344499439	-0.0844050308468	-0.110929827381	0.794338494264	-0.213113514886	0.0564672004923	1.06421468057	-0.613688732934	-0.41680977155	0.0193355263069	0.244294335832	0.0458447108951	0.0658676376373	0.352083616092	-0.0257246369592	0.549441508142	18.292	26.717	23.349
7	4.23560627488	-2.35080649585	-1.99541871876	1.4909387278	1.73857596698	3.02317982481	-0.0536415186566	-0.583195911039	0.89658031026	0.344079487425	-0.381581616333	1.15833444057	-1.63402571531	-0.566666163095	0.120829668215	0.728699865431	0.0951902117485	0.115065251465	0.390401406159	-0.219872154614	0.753064985978	30.511	37.571	33.047
8	5.44411262227	2.5051837958	0.462620413521	3.02518613514	-0.46030295079	2.8348566326	0.129913819677	-0.484149993805	0.312762083166	0.214791638152	0.12009307563	0.127527044308	-0.38333428436	-0.167848050511	-0.237110911364	0.259780126366	-0.011914427148	0.0910395817643	0.428777164105	-0.0653658725466	0.392559150625	21.529	21.477	31.218
9	8.61131812265	-3.34027908507	2.36460827182	4.61289018464	-0.419879253528	3.06707542648	0.0287141726593	-1.06645491374	0.226318306288	0.372454426975	0.217545907218	0.125543267171	0.00444568240644	-0.402951681722	-0.243034153814	0.326625019655	-0.0866220858581	0.0450353852604	0.483498772447	-0.0504185603449	0.268014373733	32.911	13.833	41.699
10	3.64941349794	2.83053524485	-0.123302982174	3.01099891071	0.4613059817	0.360430425353	0.596654471654	-1.8613077615	-0.616340807268	0.810981933388	-0.0584864223192	0.331714091896	0.220993400594	-1.05614720909	-0.0349808079648	0.187928117378	-0.251669128341	0.151120509384	0.987492052513	0.129311035008	0.365083441315	20.195	8.322	42.082
11	4.80112911225	2.07777624667	-2.47854701304	3.93616121855	2.53591058362	6.39507008742	0.873416812807	0.0834701971778	0.510949170463	-0.31942272076	-0.570259248475	1.24625382901	-0.991750222445	-1.68234825113	-0.0542432394334	0.362149742392	0.0404511768312	0.0522296343837	1.04314216061	0.00414090534971	0.633698069713	9.794	7.45	28.628
12	5.75916177709	-1.39124773592	-1.11967609161	8.70529264106	-3.21314478641	5.08294114519	0.0264522729645	-0.902173474249	-0.594444502874	1.08263612648	0.210226202526	0.357293984608	-0.0402762731646	-0.0386081525287	-0.183949779558	0.353170763862	-0.0472111185701	0.0812009497751	0.461213342145	0.100759414967	0.36316748253	19.308	-0.147	33.867
13	1.77917024532	1.43662513616	-0.333438376789	1.22095448222	-0.374327895778	1.1544583732	0.0915115101347	-0.352877415379	0.0378501972686	0.125695016004	-0.121607376032	-0.184158933559	-0.0933167128608	-0.256796640912	0.0537140817088	0.230705710122	-0.0612432144176	0.0372494078669	0.379787657206	-0.0280586457723	0.322077020412	29.792	17.984	29.435
14	0.808960845693	-0.717169150025	0.0033468814564	3.95953951632	-2.22593446128	1.92998368159	0.175105974832	0.0659928498638	0.0903761471614	-0.0542579206394	0.0217525983794	0.155091252188	0.00252026463143	-0.0684178633846	-0.144352342598	0.263714113425	-0.0316783691545	0.0477454257756	0.292598375506	-0.0134645472432	0.301009800081	36.011	20.574	17.7
15	8.77850639024	0.0225282587683	-4.0753886579	8.14918923708	-3.9578859502	4.44873340838	0.475467404282	-0.0101126737257	-0.181889559105	-1.4345206611	-0.442550527961	0.152963974706	0.93082854275	0.429293920441	0.050644164299	0.670697711903	0.114404188264	0.00315922321728	0.369854344964	-0.0565509384169	0.520063341441	47.991	-9.149	24.255
16	0.976840383182	0.0354033408691	0.67055691004	3.93538774568	-3.28678013954	3.75484857162	0.0333348580001	0.135753789719	0.0934872304611	-0.403476258569	-0.012685800928	0.032943174937	0.226890559274	0.300602949308	-0.0129127017367	0.292250561345	-0.0319889064572	0.0347994181059	0.302905890878	-0.0384502891343	0.271477376542	43.519	12.34	16.626
17	5.68506967062	-0.571699016294	1.22746933081	9.09239984716	-1.26904991829	4.65701542343	0.122254430223	0.319544807389	-0.120888729924	0.0523478716097	0.263786931115	-0.320499668428	0.41644741303	0.0475611450955	-0.292756138526	0.25993083283	-0.0794845931561	-0.0390542774966	0.309169887541	-0.00378870698182	0.243445594887	29.461	6.989	20.54
18	5.86911031015	-0.38817063332	0.364095444242	3.13620927005	-3.2375824857	4.71256900368	-0.296075937125	0.319503280822	0.170765099269	-1.07594166893	0.625758125001	0.24936835381	-0.194125318461	-0.490135672374	-0.365888082337	0.345791705751	-0.0138080963321	0.0209413893617	0.357340153787	-0.00234020816959	0.422963323241	25.46	26.081	17.501
19	2.14423346197	-0.57075473613	0.484601930335	3.7833711308	1.31219912597	0.672870402977	-0.195650221166	0.058673018268	0.277348932377	-0.283293796369	0.181387396414	0.0500804069233	-0.0840622106688	0.00669975448232	-0.041503876529	0.334110959718	-0.0849308113667	0.0376449180733	0.325242222567	-0.054230077931	0.375480172634	37.977	26.9	30.649
20	2.98745137854	-0.348554370948	-1.00965555023	3.1383724507	-1.32825898977	3.48492290214	0.984448813583	-0.330615256779	0.633930276091	0.0967256993621	-0.455317934211	0.00739454886938	-0.28125079065	0.262190051207	-0.29551605039	0.539587270072	-0.130022142174	-0.000958055607687	0.294545726301	-0.0494773040313	0.3056984885	34.628	32.014	29.411
21	2.10068815747	1.15549210485	0.335470318131	4.1008948676	-1.13781166212	8.18325866893	-0.0722408719138	-0.0224163950802	-0.18264920547	0.392125565836	-0.00015724723792	-0.247470534025	0.488192729049	0.620974001184	-0.00743070016137	0.411241239951	0.0625824708583	0.00325703892131	0.256007157926	-0.000987903139739	0.318299960338	16.142	-29.143	2.544
22	4.73881410777	-4.69967025463	3.50469578877	5.0342541171	-2.05929853101	7.52696860285	0.465501598914	-0.00124018543902	-0.0941979926778	-0.0694044946541	0.0536117166897	-0.625775671269	1.55527283058	0.809763510674	-0.258711987156	0.547264623615	0.18303422304	-0.0942600458999	0.373476406717	-0.00687202046595	0.396995575386	22.261	-29.634	12.319
23	2.71727977402	0.621430777761	-3.34990384426	0.582377459831	0.237408924032	7.2366185748	-0.523243622157	-0.240423359844	-0.442741640737	0.187333649692	-0.0019962742844	-0.228224634687	1.02321355862	0.529890320312	0.30566013079	0.504963840163	0.157242443077	-0.0627455741157	0.40515844565	-0.012224534479	0.418154221515	28.693	-22.275	7.271
24	4.57862302592	1.47918055513	-0.888131113008	6.30654192582	-1.34941527505	2.21948280377	0.415058322828	-0.160955857055	0.344028666553	0.417108895639	-0.0923531041541	-0.476200431655	-0.16243498872	0.593164039421	-0.23976585079	0.31865512188	0.027914352798	-0.0457852424386	0.394509057037	-0.0999757785673	0.395466707487	29.186	-7.567	10.733
25	7.00785841684	-0.464771192027	3.48356459427	3.94361403527	-2.46982569954	4.71716347051	-0.360367792328	1.65268302479	0.912715682273	-0.7432540052	-0.0594117726671	-0.513364434101	0.569490045955	0.983896309568	0.336808372814	0.63858460195	0.00138300577196	0.1147980986	0.661379247185	0.00833152221931	0.383055523715	29.758	1.1	-3.646
26	4.58048476343	-1.99408699245	0.54271269083	4.87901558399	0.932052147208	3.02617120106	0.139148814325	0.0968409692146	0.198778621036	-0.377156015787	0.0617590211755	-0.174052938367	-0.0502390959801	0.230016076327	-0.214465487708	0.234110362198	-0.0548091275542	-0.0114447204043	0.262344090987	-0.00307367681972	0.337735967094	18.702	3.69	9.216
27	9.10423442771	5.23743744409	1.69677082076	3.53070715725	0.172713060846	3.02225913112	0.322670910345	-0.646211696145	1.08004756274	0.153517473338	-0.393371931585	0.717078144427	-0.272267596232	-0.101911788302	0.0392244541801	0.375720888041	0.0474165293449	0.107271755952	0.306917927582	-0.0287380982176	0.47684767207	-6.564	-3.276	10.829
28	0.309906826937	1.65609260005	0.727597855145	9.58329128646	4.52897828429	2.26242965215	0.166537026294	0.649826075353	-0.680952636698	-0.0913350324615	0.811897150165	0.711349333875	0.0241475278671	-0.392322778212	-0.581298258644	0.83736955192	0.13388668647	-0.134707230768	1.15386723632	-0.125179010934	1.00168637017	-17.626	-19.433	0.456
29	1.17165987728	1.55822699566	-0.24933710168	7.76513373176	0.761510047498	1.99410681403	0.0047875544394	0.0896600843571	0.149898376276	-0.355440963698	0.0037461811615	0.513240784631	0.0825997114788	-0.274164304286	-0.00270559531445	0.276916965672	0.00194772341683	-0.0177363202411	0.210975919413	0.00949792751214	0.313201606481	-3.294	-8.466	1.456
30	9.62527627238	-4.77162300602	-1.71508015737	3.06070486924	1.04871814771	1.25887270933	0.149280114334	0.461715675778	0.0653517003433	-0.318513853859	-0.137028096979	-0.10014343864	0.0107876009394	0.0376071466717	-0.0143866365216	0.379041140207	0.015965034699	0.0256968199994	0.20916095115	-0.00522313273098	0.243601808754	11.711	-12.776	-7.351
31	7.90580728625	-5.72365091935	-4.94549599714	5.29255091678	6.00634082517	8.33271119099	0.367837650632	0.481467601894	0.581331353971	-1.39869353807	-0.100246141961	-0.451241171838	-0.608688748393	-0.0435603102894	-0.228060544546	0.396137800559	-0.0358132168011	0.0358474985195	0.248286901565	0.0521892917258	0.320763882417	10.074	0.155	-8.144
32	4.33762910048	0.159243662425	-1.29211107841	7.57085418975	-2.70527137715	2.36084126447	-0.0660712692476	0.129193965492	0.412620739743	-0.199469783601	0.242417730416	0.725645803511	-0.450861560315	-0.390829621702	-0.227581282791	0.363566331735	0.0360576999089	-0.0171523013577	0.254896320496	0.0149195475504	0.449643779864	2.45	10.682	3.122
33	5.67417297977	0.170740720333	0.0586194286093	2.85974482375	-0.803276777391	4.34569906871	-0.0011889169795	0.0876623474144	0.585064482632	0.0122171930991	-0.00462242266912	-0.14651217793	-0.311401910987	0.313946005371	-0.0245155569947	0.280973728182	-0.0285190916963	-0.0296161149552	0.235737602367	0.0338979436156	0.338199978086	13.475	8.809	3.863
34	1.93564001333	-0.169840160129	-0.513884719046	1.10067258467	-0.217519809903	1.67447378115	-0.0183538255802	-0.242769332993	0.0669958886451	0.198520896488	0.0618622576124	0.0344975173451	0.165276318141	-0.00340156548614	-0.0498805339392	0.386738152804	-0.0001519807086	-0.0239995314062	0.210199775616	-0.000960495364736	0.255804508158	5.248	-16.554	13.256
35	8.32822430782	-1.71069382749	-3.09064912948	5.37356604582	-2.35015452549	3.83436597645	0.293470842408	-1.60157779049	0.0337801772187	0.472037414487	-0.0433250287366	-0.596072395531	-0.188335901977	1.18968084057	-0.121666432735	0.365953718285	0.135678789469	-0.178500766388	0.728513602081	-0.130471417566	0.581198502947	36.516	-15.462	13.895
36	1.67949575657	0.193830865556	-1.59712069687	1.61654905336	-0.286338325795	2.35244492414	-0.225179055551	-0.302914537759	-0.179740430608	0.108076129239	0.130337256878	-0.215363292266	0.715621470349	0.343430088779	0.150414577799	0.411629165234	0.107290803113	-0.0461139928909	0.310477741229	-0.00788677020378	0.301643534283	19.682	-20.941	15.918
37	6.20240803244	1.48127695748	-1.28767366299	6.9622216627	-2.86479078514	1.26186033836	-0.290304670357	-1.16710480228	0.466909476805	0.63977243678	0.252188681242	0.044751035413	0.299923692214	0.0222729784816	0.159958819429	0.524241010609	0.0906628727027	-0.00908126479183	0.443112055722	-0.0319344212181	0.259232858101	13.287	-14.837	23.393
38	2.59625897431	2.95590597603	-0.563776772612	3.83226441935	-0.130381194435	1.76498133616	0.220001877111	-0.242120644276	0.41484714732	0.359448288676	-0.123591340222	0.303827142885	-0.0224202466801	-0.0129280609247	-0.138111276801	0.362121342146	0.000469876893349	0.0137162382563	0.203650856283	-0.0106559198435	0.287094457159	3.741	-9.124	15.025
39	4.41801615473	1.48103085969	0.277319582029	2.56747831147	0.181345178692	1.14644378906	0.124197603132	-0.0739232984575	-0.197276486469	0.112945512343	-0.0792570808545	0.278405953244	0.206240748818	-0.160527702412	-0.00765987066481	0.383563318575	-0.0270287905597	-0.0024542266327	0.187239899486	-0.00430908922952	0.286068056977	-0.084	-23.365	2.705
40	2.68439268315	-1.20198751653	1.43592401032	0.802531401663	-1.22507189989	1.91768274551	0.717324830631	-0.893225937303	0.0160051473333	-0.324196583736	-0.323488479711	0.131060787006	0.40258137319	-0.0543451213707	-0.332571143729	0.683459744662	0.164896070127	0.09862002051	0.604983262041	-0.34651546259	0.528421032972	1.454	-19.805	10.646
41	6.71664212167	1.12179607338	0.565960929848	2.3819664761	1.72844942693	9.60004515807	0.22092439272	-0.16798282321	1.04932643745	0.149820940482	-0.470199828537	0.318258743661	-1.92161874286	-0.246130038585	-0.0150896473132	0.80040775748	-0.0257573712781	-0.0787766168909	0.4581912188	0.083961652886	0.41785648498	9.11	-22.281	34.951
42	3.36464297446	-1.80457051618	-2.89814515767	5.51760151517	4.01898470881	7.39093302386	0.154133503678	-0.266969372737	0.226473007346	-0.458424616793	-0.128966808473	-0.246521481839	-1.05973180008	0.680827951403	-0.0556373358915	0.471277653423	-0.0783390091035	-0.0635301022998	0.338814948466	0.0550867015537	0.225237609409	10.781	-24.238	42.925
43	0.867797858912	-0.911709385193	0.769228560344	2.66557821674	-2.86262570396	7.10906915945	-0.244674246307	0.0406009511193	0.184285563462	-0.256041373014	-0.197357609119	-0.369555935067	-0.684550261226	0.0267963361144	0.27510527811	0.679768074075	0.0716342411079	-0.0660780139031	0.354611810106	-0.0555784361501	0.393017898498	-0.714	-18.859	41.708
44	3.18082028716	0.44991736601	-1.51607237832	6.00519556524	1.05022242187	1.45448299424	-0.032628218134	0.0542524715619	0.369584814054	-0.885276641254	-0.11674371267	0.967783234717	-0.0510255702096	-0.805314810009	0.0881539092777	0.653386620768	0.0763960563742	-0.11670627982	0.57015269579	0.0183886730321	0.444401402974	-15.932	-28.232	39.094
45	6.81675010324	2.22490881908	-1.65460380557	3.23693237252	-0.724497385465	5.38237492425	0.112026322054	-0.777282313997	0.495864588286	0.878935610494	0.206605222574	1.48039630574	0.569284562906	-0.474420015213	-0.271073042581	0.525828363632	-0.147910588284	-0.00455356258185	0.66759913929	-0.066109938312	0.459696591362	-19.046	-42.305	45.411
46	8.2234741898	-1.76583651078	1.29872972222	3.91136645188	-2.04665063428	9.31854266718	0.813603973019	-0.634877530263	-1.35827913387	1.35100997378	0.50559048217	-0.0203186613327	0.563620714839	-1.2092921502	0.196360358852	1.53102217279	0.236905564442	-0.398438456334	0.449637565996	-0.0144516233413	0.717124005881	0.74	-58.59	46.354
47	0.479155113206	0.634154896755	0.598461361242	1.57139711375	0.0537540022636	1.64482925856	-0.537146640774	0.674035783343	0.455561280839	-0.346585111657	-0.335039504597	0.0902450158112	-0.262609515875	0.336405222876	0.465200398578	1.97811231632	-0.203334417697	-0.189814248468	0.87752362956	0.0370459167502	1.14121349418	18.917	-60.031	39.204
48	4.19165046317	0.814728774089	-0.581659310967	3.11075850591	-0.759248554329	3.66109575151	-0.10220956003	-0.0231023397523	-0.0924967241885	-0.786226433441	0.203253361375	-0.219288441626	1.00284610952	0.340316577166	-0.130564024669	0.683480825219	0.063790558777	-0.0370621085573	0.316554373361	-0.0171792641023	0.360311854166	2.791	-52.774	35.622
49	3.39795459104	2.13352541512	-0.293312622959	2.23233143218	-1.41673632263	2.96256302606	-0.130121066633	0.318492180745	-0.0157592758009	-0.540717524247	0.273054145803	-0.355670187871	0.329169399156	0.0915190848623	-0.199704131046	0.529479024082	-0.0146099456905	-0.0072826056801	0.350430745036	0.0146898170657	0.271318887707	-0.176	-35.483	26.815
50	8.02356306441	3.04629353293	-2.33318968973	1.75102335042	-2.44032324729	4.79819145251	-0.914112674357	1.08703476661	0.887727483117	-1.53555176809	0.80797486868	0.281442875741	0.523798894414	-0.158477243714	0.125801939618	0.707625882342	-0.180389350516	-0.15691833837	0.435571741316	0.0842632942018	0.326980983411	-10.488	-45.506	25.817
51	6.71789276929	-0.0600502050614	-1.70897931113	5.44178244647	1.52828830379	7.10328286109	-0.150199846586	-0.521919604287	-0.739850683199	0.498013288538	-0.336076620333	0.661179962364	0.840049713215	-0.446645737427	0.430960072511	0.59134956033	-0.204275146893	-0.031037923222	0.507045892558	-0.00641988404242	0.462992696095	-19.952	-53.802	38.481
52	3.32817365897	-3.56855713536	1.67909759335	4.53123163761	-0.653153346419	2.48778818521	0.250013949636	0.186537988935	0.0742701197252	-0.633312892091	-0.43685703751	0.389184483858	-0.0689904286451	-0.402176044839	0.0230774492385	0.59082020123	-0.106422455213	-0.0737196316327	0.503887013007	-0.0513122309796	0.361275896447	-15.753	-43.751	34.743
53	6.58533375502	-0.492986365946	4.42357260459	2.83395033792	-1.71011268589	7.86502597016	0.0352614454091	-0.10116240434	0.0751306157744	-0.265715542357	-0.0900091821778	-0.0418542392417	0.684216889053	0.100824802772	0.0681014213494	0.358834551223	0.0563688197867	0.0163617495684	0.234868553659	-0.0208104466459	0.250168000107	9.616	-44.329	45.184
54	4.32144647958	-1.9890566873	1.18355812679	5.12145048232	-2.76939712003	7.74612254287	0.0586777555132	-0.319022681146	-0.33654876507	0.0327409760196	-0.21801316686	0.0544011949525	0.933050435452	0.374612019904	0.0723901942217	0.433706787734	-1.57188284737E-5	0.0139461783433	0.358508600357	0.000193967728341	0.280495387608	5.667	-42.042	54.088
55	4.72390018376	-1.06084068262	0.472098512241	6.93406455459	1.33545078401	4.33983521767	0.03592346331	-0.436903248702	0.956111556645	0.257085783136	-0.147630569976	0.720922467059	-1.0061704965	-0.376169737876	0.119252742592	0.808970427346	0.154856391551	-0.0829914193843	0.43297958961	-0.0987756283656	0.605604087005	-10.723	-17.756	44.6
56	3.32244156548	-2.70334855387	2.79462340201	3.50868042892	-2.97655015799	4.28256067027	-0.0400489743078	0.0615447914657	0.262036380925	-0.0974093822173	-0.227224184725	-0.0626370851682	-0.365508788358	0.191042234063	0.227074377219	0.409167104501	0.00647128680196	-0.0422513520549	0.3756461667	-0.00748253471449	0.266326833243	3.593	-28.397	51.826
57	7.12298043793	3.16820531576	3.77894943975	3.12568101337	2.47379942412	8.55229868827	-0.0859408590955	-1.10416962867	-0.166874580361	0.560696452555	-0.221466540341	0.118476628803	0.325806171242	-0.568733625102	0.267969306857	0.385208316414	0.00222372956989	0.029471321602	0.481077413557	0.0212156583641	0.269144794207	-5.242	-35.339	51.788
58	4.63204482191	-4.58876683177	1.03257358971	5.76577590551	-0.907658570137	3.95245218503	0.631508166268	-1.19428188921	-1.88404827458	-0.273875627532	-0.135768473666	0.248656718328	0.832244371364	0.241340848934	-0.326779114159	0.60509488239	-0.074431149695	-0.12497941173	0.388997859015	0.138559502286	0.598184198551	5.784	-51.489	50.605
59	6.10069197181	-3.43695904377	0.209621946207	4.38200103119	-1.45808094902	4.4600811844	-0.142548404501	0.390786536529	-0.0408391377771	-0.277008524058	-0.110661767832	-0.772320571039	0.104074112221	0.483819905166	0.199005690764	0.476712439	-0.0139805913084	0.0497513433222	0.437735137284	-0.0504989342051	0.487517330876	12.653	-39.373	37.143
60	2.2949586917	1.39440226873	1.94014955842	4.03100558957	0.559355417989	6.33960903962	0.0981394353115	0.171408808816	-0.793952188105	-0.391278013839	0.148629924941	-0.493492902653	-0.0485358249159	0.927610866001	0.0240294244595	0.408152271177	0.19467326057	0.0558026532107	0.641959539105	-0.00731098816581	0.487965506175	18.355	-47.312	40.378

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 12:16 )	A	12 - 16
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 17:31 )	A	17 - 31
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 32:68 )	A	32 - 68
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 69:76 )	A	69 - 76
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 77:106 )	A	77 - 106
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 107:127 )	A	107 - 127
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 128:134 )	A	128 - 134
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 135:154 )	A	135 - 154
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 155:182 )	A	155 - 182
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 183:201 )	A	183 - 201
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 202:213 )	A	202 - 213
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 214:230 )	A	214 - 230
13	X-RAY DIFFRACTION	13	( CHAIN A AND RESID 231:249 )	A	231 - 249
14	X-RAY DIFFRACTION	14	( CHAIN A AND RESID 250:288 )	A	250 - 288
15	X-RAY DIFFRACTION	15	( CHAIN A AND RESID 289:301 )	A	289 - 301
16	X-RAY DIFFRACTION	16	( CHAIN A AND RESID 302:336 )	A	302 - 336
17	X-RAY DIFFRACTION	17	( CHAIN A AND RESID 337:350 )	A	337 - 350
18	X-RAY DIFFRACTION	18	( CHAIN A AND RESID 351:364 )	A	351 - 364
19	X-RAY DIFFRACTION	19	( CHAIN A AND RESID 365:386 )	A	365 - 386
20	X-RAY DIFFRACTION	20	( CHAIN A AND ( RESID 387:393 OR RESID 401:402 ) )	A	387 - 393
21	X-RAY DIFFRACTION	20	( CHAIN A AND ( RESID 387:393 OR RESID 401:402 ) )	A	401 - 402
22	X-RAY DIFFRACTION	21	( CHAIN B AND RESID 12:28 )	B	12 - 28
23	X-RAY DIFFRACTION	22	( CHAIN B AND RESID 29:36 )	B	29 - 36
24	X-RAY DIFFRACTION	23	( CHAIN B AND RESID 37:54 )	B	37 - 54
25	X-RAY DIFFRACTION	24	( CHAIN B AND RESID 55:72 )	B	55 - 72
26	X-RAY DIFFRACTION	25	( CHAIN B AND RESID 73:79 )	B	73 - 79
27	X-RAY DIFFRACTION	26	( CHAIN B AND RESID 80:103 )	B	80 - 103
28	X-RAY DIFFRACTION	27	( CHAIN B AND RESID 104:125 )	B	104 - 125
29	X-RAY DIFFRACTION	28	( CHAIN B AND RESID 126:129 )	B	126 - 129
30	X-RAY DIFFRACTION	29	( CHAIN B AND RESID 130:156 )	B	130 - 156
31	X-RAY DIFFRACTION	30	( CHAIN B AND RESID 157:182 )	B	157 - 182
32	X-RAY DIFFRACTION	31	( CHAIN B AND RESID 183:198 )	B	183 - 198
33	X-RAY DIFFRACTION	32	( CHAIN B AND RESID 199:209 )	B	199 - 209
34	X-RAY DIFFRACTION	33	( CHAIN B AND RESID 210:233 )	B	210 - 233
35	X-RAY DIFFRACTION	34	( CHAIN B AND RESID 234:289 )	B	234 - 289
36	X-RAY DIFFRACTION	35	( CHAIN B AND RESID 290:297 )	B	290 - 297
37	X-RAY DIFFRACTION	36	( CHAIN B AND RESID 298:329 )	B	298 - 329
38	X-RAY DIFFRACTION	37	( CHAIN B AND RESID 330:335 )	B	330 - 335
39	X-RAY DIFFRACTION	38	( CHAIN B AND RESID 336:364 )	B	336 - 364
40	X-RAY DIFFRACTION	39	( CHAIN B AND RESID 365:391 )	B	365 - 391
41	X-RAY DIFFRACTION	40	( CHAIN B AND ( RESID 392:393 OR RESID 401:402 ) )	B	392 - 393
42	X-RAY DIFFRACTION	40	( CHAIN B AND ( RESID 392:393 OR RESID 401:402 ) )	B	401 - 402
43	X-RAY DIFFRACTION	41	( CHAIN C AND RESID 12:17 )	C	12 - 17
44	X-RAY DIFFRACTION	42	( CHAIN C AND RESID 18:36 )	C	18 - 36
45	X-RAY DIFFRACTION	43	( CHAIN C AND RESID 37:55 )	C	37 - 55
46	X-RAY DIFFRACTION	44	( CHAIN C AND RESID 56:85 )	C	56 - 85
47	X-RAY DIFFRACTION	45	( CHAIN C AND RESID 86:105 )	C	86 - 105
48	X-RAY DIFFRACTION	46	( CHAIN C AND RESID 106:124 )	C	106 - 124
49	X-RAY DIFFRACTION	47	( CHAIN C AND RESID 125:129 )	C	125 - 129
50	X-RAY DIFFRACTION	48	( CHAIN C AND RESID 130:162 )	C	130 - 162
51	X-RAY DIFFRACTION	49	( CHAIN C AND RESID 163:183 )	C	163 - 183
52	X-RAY DIFFRACTION	50	( CHAIN C AND RESID 184:197 )	C	184 - 197
53	X-RAY DIFFRACTION	51	( CHAIN C AND RESID 198:220 )	C	198 - 220
54	X-RAY DIFFRACTION	52	( CHAIN C AND RESID 221:233 )	C	221 - 233
55	X-RAY DIFFRACTION	53	( CHAIN C AND RESID 234:260 )	C	234 - 260
56	X-RAY DIFFRACTION	54	( CHAIN C AND RESID 261:283 )	C	261 - 283
57	X-RAY DIFFRACTION	55	( CHAIN C AND RESID 284:300 )	C	284 - 300
58	X-RAY DIFFRACTION	56	( CHAIN C AND RESID 301:330 )	C	301 - 330
59	X-RAY DIFFRACTION	57	( CHAIN C AND RESID 331:344 )	C	331 - 344
60	X-RAY DIFFRACTION	58	( CHAIN C AND RESID 345:367 )	C	345 - 367
61	X-RAY DIFFRACTION	59	( CHAIN C AND RESID 368:384 )	C	368 - 384
62	X-RAY DIFFRACTION	60	( CHAIN C AND ( RESID 385:393 OR RESID 401:401 ) )	C	385 - 393
63	X-RAY DIFFRACTION	60	( CHAIN C AND ( RESID 385:393 OR RESID 401:401 ) )	C	401

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