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- PDB-8u2m: 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: 8u2m

Title

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

Components

Cytochrome P450-SU1
MET-ARG-TYR-LEU-HIS

Keywords

OXIDOREDUCTASE / complex / biarylitide / crosslink

Function / homology

Function and homology information

Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / 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: 1.79 Å

Authors

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

Funding support

Australia, 2items

Citation

Journal: Acs Catalysis / Year: 2024
Title: Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Authors: Hansen, M.H. / Keto, A. / Treisman, M. / Sasi, V.M. / Coe, L. / Zhao, Y. / Padva, L. / Hess, C. / Leichthammer, V. / Machell, D.L. / Schittenhelm, R.B. / Jackson, C.J. / Tailhades, J. / ...

History

Deposition	Sep 6, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 10, 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	8u2m.cif.gz	812.3 KB	Display	PDBx/mmCIF format
PDB format	pdb8u2m.ent.gz	563.4 KB	Display	PDB format
PDBx/mmJSON format	8u2m.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8u2m_validation.pdf.gz	1.6 MB	Display	wwPDB validaton report
Full document	8u2m_full_validation.pdf.gz	1.6 MB	Display
Data in XML	8u2m_validation.xml.gz	48.7 KB	Display
Data in CIF	8u2m_validation.cif.gz	69.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u2/8u2m ftp://data.pdbj.org/pub/pdb/validation_reports/u2/8u2m	HTTPS FTP

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Related structure data

Related structure data	8u3nC 8ukzC 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	#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

D: MET-ARG-TYR-LEU-HIS

hetero molecules

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

A: Cytochrome P450-SU1

D: MET-ARG-TYR-LEU-HIS

hetero molecules

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

B: Cytochrome P450-SU1

hetero molecules

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

C: Cytochrome P450-SU1

hetero molecules

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

Unit cell

Length a, b, c (Å)	61.674, 95.607, 105.763
Angle α, β, γ (deg.)	90.000, 92.710, 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 29 or resid 31...
d_2	ens_1	(chain "B" and (resid 14 through 29 or resid 31...
d_3	ens_1	(chain "C" and (resid 14 through 29 or resid 31...

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	TYR	TYR	A	A	14 - 29	35 - 50
d_1	2	LYS	LYS	LEU	LEU	A	A	31 - 32	52 - 53
d_1	3	GLU	GLU	VAL	VAL	A	A	34 - 38	55 - 59
d_1	4	TRP	TRP	CYS	CYS	A	A	40 - 55	61 - 76
d_1	5	GLN	GLN	VAL	VAL	A	A	57 - 83	78 - 104
d_1	6	SER	SER	VAL	VAL	A	A	85 - 110	106 - 131
d_1	7	GLN	GLN	ALA	ALA	A	A	112 - 123	133 - 144
d_1	8	LEU	LEU	GLY	GLY	A	A	125 - 127	146 - 148
d_1	9	PRO	PRO	VAL	VAL	A	A	129 - 169	150 - 190
d_1	10	SER	SER	GLU	GLU	A	A	171 - 204	192 - 225
d_1	11	GLY	GLY	ALA	ALA	A	A	206 - 217	227 - 238
d_1	12	VAL	VAL	VAL	VAL	A	A	220 - 252	241 - 273
d_1	13	HIS	HIS	THR	THR	A	A	254 - 263	275 - 284
d_1	14	ASP	ASP	VAL	VAL	A	A	265 - 289	286 - 310
d_1	15	ASP	ASP	VAL	VAL	A	A	291 - 299	312 - 320
d_1	16	ARG	ARG	ARG	ARG	A	A	301 - 329	322 - 350
d_1	17	ARG	ARG	GLY	GLY	A	A	331 - 338	352 - 359
d_1	18	GLY	GLY	LEU	LEU	A	A	340 - 354	361 - 375
d_1	19	GLU	GLU	LEU	LEU	A	A	356 - 366	377 - 387
d_1	20	LEU	LEU	VAL	VAL	A	A	368 - 392	389 - 413
d_2	1	TYR	TYR	TYR	TYR	B	B	14 - 29	35 - 50
d_2	2	LYS	LYS	LEU	LEU	B	B	31 - 32	52 - 53
d_2	3	GLU	GLU	VAL	VAL	B	B	34 - 38	55 - 59
d_2	4	TRP	TRP	CYS	CYS	B	B	40 - 55	61 - 76
d_2	5	GLN	GLN	VAL	VAL	B	B	57 - 83	78 - 104
d_2	6	SER	SER	VAL	VAL	B	B	85 - 110	106 - 131
d_2	7	GLN	GLN	ALA	ALA	B	B	112 - 123	133 - 144
d_2	8	LEU	LEU	GLY	GLY	B	B	125 - 127	146 - 148
d_2	9	PRO	PRO	VAL	VAL	B	B	129 - 169	150 - 190
d_2	10	SER	SER	GLU	GLU	B	B	171 - 204	192 - 225
d_2	11	GLY	GLY	ALA	ALA	B	B	206 - 217	227 - 238
d_2	12	VAL	VAL	VAL	VAL	B	B	220 - 252	241 - 273
d_2	13	HIS	HIS	THR	THR	B	B	254 - 263	275 - 284
d_2	14	ASP	ASP	VAL	VAL	B	B	265 - 289	286 - 310
d_2	15	ASP	ASP	VAL	VAL	B	B	291 - 299	312 - 320
d_2	16	ARG	ARG	ARG	ARG	B	B	301 - 329	322 - 350
d_2	17	ARG	ARG	GLY	GLY	B	B	331 - 338	352 - 359
d_2	18	GLY	GLY	LEU	LEU	B	B	340 - 354	361 - 375
d_2	19	GLU	GLU	LEU	LEU	B	B	356 - 366	377 - 387
d_2	20	LEU	LEU	VAL	VAL	B	B	368 - 392	389 - 413
d_3	1	TYR	TYR	TYR	TYR	C	C	14 - 29	35 - 50
d_3	2	LYS	LYS	LEU	LEU	C	C	31 - 32	52 - 53
d_3	3	GLU	GLU	VAL	VAL	C	C	34 - 38	55 - 59
d_3	4	TRP	TRP	CYS	CYS	C	C	40 - 55	61 - 76
d_3	5	GLN	GLN	VAL	VAL	C	C	57 - 83	78 - 104
d_3	6	SER	SER	VAL	VAL	C	C	85 - 110	106 - 131
d_3	7	GLN	GLN	ALA	ALA	C	C	112 - 123	133 - 144
d_3	8	LEU	LEU	GLY	GLY	C	C	125 - 127	146 - 148
d_3	9	PRO	PRO	VAL	VAL	C	C	129 - 169	150 - 190
d_3	10	SER	SER	GLU	GLU	C	C	171 - 204	192 - 225
d_3	11	GLY	GLY	ALA	ALA	C	C	206 - 217	227 - 238
d_3	12	VAL	VAL	VAL	VAL	C	C	220 - 252	241 - 273
d_3	13	HIS	HIS	THR	THR	C	C	254 - 263	275 - 284
d_3	14	ASP	ASP	VAL	VAL	C	C	265 - 289	286 - 310
d_3	15	ASP	ASP	VAL	VAL	C	C	291 - 299	312 - 320
d_3	16	ARG	ARG	ARG	ARG	C	C	301 - 329	322 - 350
d_3	17	ARG	ARG	GLY	GLY	C	C	331 - 338	352 - 359
d_3	18	GLY	GLY	LEU	LEU	C	C	340 - 354	361 - 375
d_3	19	GLU	GLU	LEU	LEU	C	C	356 - 366	377 - 387
d_3	20	LEU	LEU	VAL	VAL	C	C	368 - 392	389 - 413

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.555760237336, -0.823384630975, 0.114753248627), (-0.828354215268, -0.560154948945, -0.00746506665816), (0.0704262212815, -0.0909075499981, -0.993365977226)	-15.0774675591, -8.01822073082, 35.2188722722
2	given	(0.46758253686, 0.883411740967, 0.030826403386), (0.883094671482, -0.468379502989, 0.0276485511408), (0.0388635101954, 0.0142946528882, -0.999142277393)	-43.6726062622, -37.307335455, 69.3006840333

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Components

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

#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	MET-ARG-TYR-LEU-HIS Mass: 720.883 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 8 types, 644 molecules

#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₃O₂
#4: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#5: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME Mass: 616.487 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄
#6: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Na
#7: Chemical	ChemComp-TOE / 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL Mass: 164.200 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₇H₁₆O₄
#8: Chemical	ChemComp-MRY / MESO-ERYTHRITOL Mass: 122.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₄
#9: Chemical	ChemComp-TFA / trifluoroacetic acid Mass: 114.023 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂HF₃O₂
#10: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 623 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N

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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: 2.28 Å³/Da / Density % sol: 46.01 %
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: 0.95365 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 10, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.95365 Å / Relative weight: 1
Reflection	Resolution: 1.79→47.8 Å / Num. obs: 114351 / % possible obs: 99.07 % / Redundancy: 1.9 % / B_iso Wilson estimate: 25.66 Å² / CC_1/2: 0.993 / CC star: 0.998 / R_merge(I) obs: 0.07208 / R_pim(I) all: 0.07208 / Net I/σ(I): 4.96
Reflection shell	Resolution: 1.79→1.854 Å / Redundancy: 1.9 % / Num. unique obs: 11205 / CC_1/2: 0.335 / CC star: 0.708 / % possible all: 97.08

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.79→47.8 Å / SU ML: 0.2692 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.4875
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2294	5631	4.93 %
R_work	0.1986	108662	-
obs	0.2001	114293	99 %

Solvent computation

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

Displacement parameters

B_iso mean: 36.43 Å²

Refinement step

Cycle: LAST / Resolution: 1.79→47.8 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8747	0	218	623	9588

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0034	9233
X-RAY DIFFRACTION	f_angle_d	0.6776	12630
X-RAY DIFFRACTION	f_chiral_restr	0.0426	1394
X-RAY DIFFRACTION	f_plane_restr	0.0073	1685
X-RAY DIFFRACTION	f_dihedral_angle_d	13.2768	3374

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	0.684975121374
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.549922843792

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 (%)
1.79-1.81	0.3515	162	0.3198	3319	X-RAY DIFFRACTION	89.44
1.81-1.83	0.3335	165	0.2977	3614	X-RAY DIFFRACTION	99.82
1.83-1.85	0.3312	179	0.2873	3627	X-RAY DIFFRACTION	99.63
1.85-1.88	0.3369	174	0.2892	3655	X-RAY DIFFRACTION	99.64
1.88-1.9	0.3051	187	0.2743	3608	X-RAY DIFFRACTION	99.55
1.9-1.93	0.3104	199	0.2752	3680	X-RAY DIFFRACTION	99.18
1.93-1.96	0.3379	177	0.2837	3582	X-RAY DIFFRACTION	99.39
1.96-1.98	0.2989	203	0.2686	3603	X-RAY DIFFRACTION	99.3
1.98-2.02	0.3187	196	0.2758	3574	X-RAY DIFFRACTION	99.08
2.02-2.05	0.3008	201	0.2777	3608	X-RAY DIFFRACTION	98.81
2.05-2.08	0.3362	190	0.2784	3566	X-RAY DIFFRACTION	97.81
2.08-2.12	0.2787	162	0.2854	3566	X-RAY DIFFRACTION	97.21
2.12-2.16	0.3323	183	0.2735	3596	X-RAY DIFFRACTION	98.69
2.16-2.21	0.2986	194	0.2821	3596	X-RAY DIFFRACTION	98.47
2.21-2.25	0.3195	189	0.2598	3583	X-RAY DIFFRACTION	98.77
2.25-2.31	0.2745	193	0.2382	3642	X-RAY DIFFRACTION	99.51
2.31-2.36	0.2597	167	0.2283	3666	X-RAY DIFFRACTION	99.46
2.36-2.43	0.254	171	0.2236	3626	X-RAY DIFFRACTION	99.55
2.43-2.5	0.2439	214	0.209	3621	X-RAY DIFFRACTION	99.66
2.5-2.58	0.2392	200	0.1923	3648	X-RAY DIFFRACTION	99.79
2.58-2.67	0.2169	215	0.1728	3631	X-RAY DIFFRACTION	99.92
2.67-2.78	0.2333	192	0.1813	3660	X-RAY DIFFRACTION	99.87
2.78-2.91	0.206	203	0.1713	3653	X-RAY DIFFRACTION	99.74
2.91-3.06	0.2118	195	0.1738	3617	X-RAY DIFFRACTION	99.74
3.06-3.25	0.1878	162	0.1763	3709	X-RAY DIFFRACTION	99.64
3.25-3.5	0.1921	176	0.1606	3632	X-RAY DIFFRACTION	99.84
3.5-3.85	0.1571	197	0.1474	3704	X-RAY DIFFRACTION	99.8
3.86-4.41	0.176	196	0.1383	3662	X-RAY DIFFRACTION	99.72
4.41-5.56	0.1664	187	0.1545	3676	X-RAY DIFFRACTION	99.64
5.56-47.8	0.2142	202	0.1917	3738	X-RAY DIFFRACTION	99.34

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	4.12877559822	0.187453308725	3.81183370626	2.03356798297	1.92893411494	2.04431528653	0.232046859055	-0.157171522189	-0.0468383648572	0.400867630712	-0.253133290247	-0.805300024158	0.270540383278	0.702576594304	0.0204415008808	0.25147953602	0.0397257741366	-0.0227078195667	0.273158481054	0.0219486758277	0.281301699852	16.192	16.34	35.327
2	6.5278775527	-9.03396731937	-0.194818415385	2.13356645483	4.72172070793	7.87564309982	0.0094845063778	0.184104061464	0.519285016941	-0.225272917314	0.24410202591	-0.645471032207	-0.229512931628	0.598543565402	-0.307235668441	0.182421834421	-0.0450765459646	0.0140434846855	0.197518522921	0.000299187127541	0.256147387076	18.531	15.39	26.398
3	5.6597767017	0.473595314163	1.18290500169	5.24031733323	-2.99461902808	2.84836814102	0.0668197658345	-0.650384802049	0.20214935027	0.597900676922	-0.107671891323	-0.416013867665	-0.238940301933	0.392230323606	0.0249746238413	0.21078081932	0.0588476798504	-0.033449276727	0.345943020041	-0.104474782444	0.229115967243	20.027	3.253	28.395
4	9.17840741312	2.85437426468	-4.81730198296	8.17339201454	-1.35732223119	3.1201926806	-0.154897705701	0.140369739198	-0.385868213598	-0.73746558046	0.170937525008	0.258737933763	0.419293354765	0.0375587966825	-0.0340053920226	0.251431052622	0.0350322771947	-0.0816511022366	0.192970615452	-0.0163154196311	0.207406330463	8.493	-4.438	21.94
5	8.16236726776	-6.55391915971	-4.46800882719	9.87296477669	2.59681159334	9.14495609787	-1.43278335346	-2.51189384171	-1.54993811519	1.90172387547	0.822848953872	0.530800558653	0.0114567241432	0.45273506399	0.667659051772	0.617173032433	0.217318529832	0.0920641762229	0.760784175662	0.185275553714	0.524965313596	0.308	-10.075	37.531
6	9.00712525181	-3.7978472252	4.53473759793	4.71825666911	-1.98668277197	5.11186835286	0.126947079161	-0.10069935999	-1.21904558067	0.0504485257703	0.188551494329	0.559439739183	0.499513077427	-0.0764095336911	-0.297996116633	0.232327780538	-0.0245026694663	0.0383799960633	0.157561440192	-0.0143379086085	0.29711685361	-9.492	-2.853	25.047
7	5.59337900666	3.65954720406	6.17963449143	9.84004170008	5.13212174792	7.40618350263	-0.00440294084575	-0.063051428704	0.237006688914	-0.133270405683	-0.0873822849123	0.0495984129844	-0.0265048486031	-0.163512300927	0.155000648068	0.174057672878	0.0156484189349	0.0152468216239	0.214372402918	0.00810184880117	0.28707493129	-16.136	21.306	21.459
8	2.06652702223	-3.57088041386	8.61530759502	7.29809361739	-0.452802607094	6.51464824435	-0.331230300542	-0.0447643941591	0.574425200034	-0.00240875320987	-0.00128260925377	0.75443230033	-0.575795994763	-0.442716424675	0.296574942385	0.339743506196	0.0924727075011	0.0451594518288	0.314313488214	-0.0141092246394	0.487410126583	-6.358	36.447	31.523
9	7.59412499104	5.0538053214	0.589280984241	3.88735127786	-0.54087327429	3.68401050036	0.0453006876832	-0.538597568779	0.424386559925	0.26908524754	-0.0568515566275	0.40071413355	-0.152228709445	-0.433312297195	0.0173515568662	0.207666636036	0.0729088398527	0.036531620879	0.267797544924	-0.0303171300216	0.278478170408	-11.302	19.312	33.089
10	2.32920583628	-5.66328556256	1.8063226446	9.7703150278	-0.130609350807	4.81307499616	-0.0729860863362	-1.19288604696	0.0587893342141	0.57327049409	0.245280288162	0.236693949393	-0.112790014039	-0.585296442926	-0.16686332519	0.208849309854	-0.0268866272436	0.0132426429993	0.341044213976	-0.0203738486881	0.193540718486	2.941	9.931	42.722
11	7.38289000864	1.52344285169	5.54893919874	4.06280068003	0.0979622281359	4.51964248563	0.70794514262	-2.8929784157	-1.50450577712	0.685230643234	-0.338517727823	0.0243220927104	-0.0896229306634	-0.991133800436	-0.30495398571	0.295971276846	-0.0984970600708	0.0234398916833	0.732839015557	0.196483787739	0.417443687467	-12.928	5.677	41.647
12	2.09802426515	2.69632578918	-7.00865062971	6.11275995112	0.894000565267	9.02335495566	0.13803828952	-0.368274342535	0.0918997040706	-0.0177902323904	0.254587194211	1.69873105307	-0.669233677932	-1.62712787069	-0.376430326111	0.283486394943	0.0543428244448	0.00596237175455	0.587416462317	0.100739142278	0.508865755305	-22.989	4.35	28.982
13	7.19780421023	-0.96840835258	-1.54490936842	2.22379591454	-1.68661238219	7.65292571823	-0.26160252107	-0.157291535755	-0.946853362959	-0.079529349153	0.151348195287	0.752185282389	1.01655578558	-0.417536007899	0.130764532412	0.364755909419	0.0274253182986	0.0548213214178	0.358901864527	0.0296122260438	0.365192996158	-13.339	-1.593	32.452
14	1.91902236049	2.23553246776	-1.09163797756	7.44819234566	-4.88036276535	7.05750230493	0.00882507462796	-0.142433611378	-0.0507283275502	-0.116706952499	0.000916694117514	-0.245296929849	-0.0892167992361	-0.0586411587384	0.0007435754264	0.121614924254	0.0421567749706	0.0290384601613	0.172658086331	-0.0037972423623	0.207526941661	0.983	22.682	25.248
15	2.24525898793	-2.53033419017	0.945529605574	6.3720774174	-2.80664238704	2.90634197794	0.0668789611408	0.154572826378	-0.0532232318634	-0.111371875186	0.130915741842	0.246240798416	0.0555463853295	-0.104728457059	-0.207855643924	0.0763088706948	-0.0421791700304	-0.00811011949378	0.173215331723	-0.0216842966187	0.153144374339	6.001	9.849	18.698
16	1.59719236524	-1.70185141202	1.30959757299	6.82890824352	-5.59058975005	5.79569655677	0.0476483723846	0.130202788709	0.0730019343942	-0.0836955907883	-0.187091489187	-0.282407290008	0.107748461324	0.403138829055	0.199053173993	0.121784946847	-0.00742386658009	-0.00794231906379	0.174604325305	-0.0137415026373	0.157792483701	13.004	8.473	19.488
17	9.03341752191	4.43545511094	0.525332969596	5.53733329408	-5.32361068703	2.0253411403	-0.111457971878	0.53937928827	-0.00868197633682	-0.860314083231	0.275283999531	0.445083214249	0.130972999125	-0.0760914530222	-0.229254484259	0.302879027249	0.00271421000049	-0.038846349204	0.164741880229	0.0171257452711	0.242517605895	5.049	9.49	12.552
18	2.94205561133	-3.53935993933	2.82799732596	2.42379340109	-4.06873868883	3.11000381656	-0.0332597608562	-0.0159644782336	-0.001307619375	-0.0532080594749	0.146403262858	0.341646614486	-0.14040436388	-0.206726115397	-0.144841209227	0.141371335702	0.0306049043394	0.0313760329873	0.208905135474	0.0228251628799	0.232686472938	-5.437	15.474	18.805
19	4.27587616318	-3.26687588916	0.000578074326788	7.29149909742	0.243911311209	0.834662241006	-0.0450076012234	0.137330038954	0.44343970536	-0.146778807685	0.00888596026139	-0.0340167418219	-0.105609452345	-0.113735929207	0.0460551948448	0.175435562929	-0.0131416842919	-0.0111066747539	0.253146717091	-0.0203759497383	0.260675443626	4.981	25.077	30.771
20	7.81284238753	-5.21066800461	9.66387197405	2.06347717381	-6.54530820901	2.1940991855	-0.799198117304	0.274267465414	0.663321456209	1.16399180649	0.0391325330292	-0.884974638321	-0.976292732094	-0.137930227862	0.659111482412	0.538147218561	-0.0112542242679	0.026924484428	0.242014106588	-0.0408390571299	0.290314510079	1.14	32.798	30.864
21	2.30828662314	2.96172172548	-0.72236317007	4.74226793432	-1.22673751499	8.14154284825	-0.297308874523	0.124981415497	-0.550931655372	0.213237227186	0.0609510140979	-0.758432006274	0.908936134098	0.85460471781	0.186126409313	0.256679596225	0.0972794200834	0.04796362283	0.241170244533	0.00334833984294	0.327912128543	-14.975	-31.586	2.199
22	6.59214396393	-3.42070765054	8.25943564663	3.64122129077	-3.43474389738	2.07314566907	-0.329492092571	-0.167900974221	-0.169975677235	0.54728557268	0.271137627669	-0.872174173275	0.733463706978	0.295196581311	0.00125728332868	0.423151889367	0.18267797828	0.00642075262394	0.321093360526	-0.0557129076578	0.39464609095	-9.346	-32.305	11.944
23	5.86702860051	0.537066137904	-6.91631508767	0.927419812513	0.660824935825	2.08610550823	-0.565731441895	-0.310607359329	-0.342564551957	-0.122235798513	0.232129962737	-0.16729319405	0.835076459402	0.382156793248	0.314324526917	0.285677110047	0.111529402341	-0.0524293280987	0.326909924086	-0.0910541654023	0.351721917734	-1.575	-25.422	4.828
24	4.47866618284	3.6607982776	-2.00389878746	8.87980368099	-3.1976536044	1.3978346085	0.1265680238	-0.492241847564	-0.0849274512066	0.620517322462	-0.0172246699361	-0.645538668127	-0.102754086939	0.412990407349	-0.0970179879029	0.217141726523	0.0762459103965	-0.0486712919862	0.356890720428	-0.106848095659	0.266463306706	-4.489	-13.75	14.795
25	5.96221969538	-6.68939470016	5.69065405933	2.0660027358	-3.34122593282	9.49786493173	0.391418952093	1.52592194109	0.359239186837	-0.735923154427	-0.323800657841	-1.05647177764	0.365099949704	1.14028811178	-0.0863434268917	0.344912707311	-0.0532480139478	0.119428519111	0.638218499786	-0.0425185773636	0.533720640168	-1.209	-3.077	-0.819
26	7.42678020205	-2.65321290908	1.34698444177	7.49313938294	1.50598480203	4.79863974039	0.0381108999599	0.255401141085	0.0539538877187	0.0209735033558	0.141929413907	-0.309953835002	-0.0765580503727	0.456909362882	-0.170388875416	0.158046589797	-0.0266975157727	0.00173045319341	0.131668214778	-0.0143346164752	0.197561880631	-13.463	1.013	9.11
27	4.96105339745	4.2603667264	5.89472934512	3.73150427839	6.10653502649	10.1446432304	-0.0137768299115	0.306107348024	-0.0838981250115	-0.265491532393	0.194083465341	-0.215581930684	-0.272605591127	0.220430555082	-0.182873928387	0.18496568788	0.0718157292234	0.0469370877932	0.207758086821	-0.0275276524797	0.269725042612	-40.156	-9.037	8.536
28	1.66718482753	1.05078356916	-0.3961002092	6.16212802103	0.214858827864	1.91110757605	0.0727838385892	0.248270900398	0.109491250265	-0.199013345112	-0.0980808285792	0.312068913483	0.00824371818682	-0.150794492779	0.0471143616722	0.142266871559	0.0474651602415	-0.0127057122945	0.163298153731	-0.00964486793454	0.184841100429	-34.143	-11.707	-0.616
29	2.5066346604	-9.16324919405	-3.42564932474	8.517545003	2.75102658194	5.13786949142	0.333284345064	0.587320174943	-0.265832284291	-0.459006917379	-0.314339856091	0.0200017009408	-0.116182603926	-0.0724959798685	-0.0122861435412	0.199710533276	-0.00111823405225	0.0333117942007	0.222982981656	-0.0350066357071	0.248461520498	-16.602	-16.449	-7.957
30	8.02955520178	-9.47399648451	-7.3750425552	2.2650836854	8.78014256342	2.23816093298	0.53941429145	0.43565202891	0.609295807817	-1.65269337261	-0.0250705539833	-0.972519420653	-0.748385141049	-0.0268648303964	-0.394958225703	0.486126664312	0.0169037147542	0.104546079324	0.296820333404	0.050204661289	0.395151049676	-21.114	-2.645	-8.791
31	4.02897503127	0.283625789185	0.27962961938	5.67229886279	1.72733782925	9.03684321247	0.028734584944	0.393991007952	0.921869380057	-0.318445534407	0.0479381287064	0.138452552062	-0.750226568397	-0.748276363472	-0.0354171316299	0.213134546557	0.0397170854156	0.0273382823052	0.222533318982	0.0832614188093	0.339363398734	-28.548	7.284	2.577
32	7.48906759823	-0.972996737932	-2.68868717488	5.89301515606	5.28262580783	5.95372620666	0.0261375622935	0.372189795559	0.580734343472	-0.250149889138	0.188459268338	-0.262806806463	-0.634530977139	0.222882036472	-0.243992323333	0.261438448869	-0.0313708926771	-0.0049773720431	0.212182869599	0.0732467346046	0.285843874814	-16.684	8.505	4.46
33	1.26507105981	1.65411377916	-0.913525336115	5.51455968264	-3.04100674142	2.93965190006	-0.0550267350989	-0.114712144917	-0.0544557085781	0.0460207647337	0.0479549396085	-0.0979086612412	0.0159400372489	-0.0935949307381	0.014172060809	0.12467083928	0.0518132297791	-0.0062447912967	0.145827050986	-0.00104800952476	0.152633878938	-30.45	-18.039	10.984
34	9.95836779583	1.3037969593	-7.59045342366	5.28696223521	-2.91314581741	6.97254813213	-0.163568236613	-0.378944496964	0.152208164169	0.334922255663	0.258441674236	0.0742437486201	0.18600269465	0.254524639012	-0.105028686063	0.194117404561	0.0278302415149	-0.0277218911699	0.147740020365	-0.0156747561657	0.142825297623	-23.837	-20.44	15.388
35	8.47797511947	4.05486913885	1.83239995881	5.24517094457	-3.54494570687	6.69704180652	-0.45556204081	-0.0719254199255	0.908737932415	-0.051012251024	0.386839575638	-0.643798610805	-0.130548799753	0.983390757124	0.0585201529616	0.181405978234	0.0237970721756	-0.00303195314847	0.341398875274	-0.216687556276	0.446365896552	-1.432	-11.946	8.442
36	3.0750793431	0.697636501035	-1.62127334477	1.61046408852	0.11897982986	2.68460609444	-0.174585328604	-0.535761788039	-0.268316450161	0.192306125714	0.135292126545	-0.357395109857	0.466264206944	0.60312641088	0.0627874090117	0.264266739478	0.13707073793	-0.069620020127	0.302793399691	-0.0254924082633	0.245485083943	-9.156	-22.82	15.684
37	7.69444011888	0.800289914946	-3.25914432378	6.54770348533	-5.25057770611	7.79237857922	-0.294869259493	-1.36420803217	-0.0744925364217	0.829375621548	0.0128932066016	-0.00695691101236	0.309723515792	-0.179806860163	0.257547794437	0.395337647359	0.0473797454833	-0.0136944524779	0.425852789274	-0.0383569082865	0.250886297393	-18.62	-17.414	23.185
38	7.86958903776	5.2634030883	0.0554572212546	5.14164847754	0.579455266422	1.0266373067	0.166732074621	-0.281682998817	0.483952228988	0.212249935342	-0.139143019247	0.280798949478	-0.0297696005937	-0.0968080802023	-0.043688109812	0.194754386804	0.0448867659782	0.00449887543741	0.135638897071	-0.00736938789578	0.134089847905	-29.228	-12.813	14.243
39	6.00166006324	4.23483507027	-0.985320661049	4.43626454083	-1.39405303347	1.46068843325	-0.160703411476	0.0263284499904	-0.197475891511	-0.195069136894	0.0577046991732	0.0546248348907	0.169034277191	-0.0169087786627	0.0929227934275	0.210810804489	0.0267405189104	0.00641272461543	0.183382484432	-0.0415444182513	0.224120265797	-29.135	-26.687	1.673
40	2.01176353791	-9.6987051647	-4.52517321235	2.01656248373	2.01506201094	2.0179868967	0.099171992979	-1.02174389849	-1.21154139126	1.03430244081	0.0387786364464	0.605349512913	0.705204156279	-0.856635276844	-0.151483640079	0.302662335663	-0.0423884726843	0.0770287119528	0.421009806731	-0.0321037419563	0.527205945844	-44.753	-29.085	4.788
41	8.96656436732	0.288008848376	1.09485067661	3.92875346899	0.734241181737	6.63812148877	-0.0927438030282	0.308458082708	0.685653226058	0.0797615829102	-0.313570539177	-0.136018798445	-1.10783001405	0.298367645677	0.394509493681	0.504759110487	-0.112030713038	-0.0725761532518	0.305523672359	0.0611251576455	0.226381354855	-20.273	-28.536	37.382
42	3.51434261049	-5.9062047525	-2.42054557552	2.04866917448	4.76603986162	9.86123672491	-0.437622986387	-0.0139087228319	1.1228021958	-0.716457025678	0.151823702977	-0.782144810359	-2.04765617228	0.470033092779	0.294672621301	0.69934949011	-0.0502168435307	-0.163717091357	0.264994461481	0.0363687199079	0.434008603275	-23.58	-22.299	46.573
43	2.14895168195	-0.859838237974	1.3988361552	2.34643759291	-3.56199385734	8.92021826717	-0.438309216219	0.114726168555	0.634779267864	0.190805217688	0.261405867624	-0.302771011623	-1.04165207147	-0.282343255574	0.140693700563	0.77946004526	0.0852755859993	-0.216415339763	0.310206608068	-0.0032046161046	0.444119979569	-32.351	-20.59	39.896
44	5.29532843138	-3.36711369568	3.42905741208	3.83755127946	-2.20571992095	2.65741666467	-0.00646244482116	-0.381753281183	-0.003893845914	0.108718062106	0.00698392816794	0.461926169156	-1.14565244157	-1.35849623863	0.00745833401714	0.640140765877	0.364802640282	-0.0890847155165	0.652500800904	-0.0780491042986	0.389030152701	-41.967	-26.504	49.842
45	1.82436405019	0.0811512733757	0.595853065161	1.85035849402	-1.16331691533	0.919459602072	-0.302956667929	0.462042870435	0.664822377712	-1.53104601346	-0.0458353623898	1.06413951193	-0.806151368138	-0.669499607512	0.289209343544	0.849746615853	0.28675443234	-0.242411908608	0.767629657833	0.0649242511432	0.52834687838	-49.986	-32.247	35.13
46	6.67225911713	-1.48301948609	0.257277162096	2.06493127703	1.96185757556	4.8738980417	0.141893254458	-0.067575259342	0.187245996414	0.448282825526	-0.211575935291	0.965801953333	-0.107353314749	-1.58712332238	0.0173143837384	0.316839588112	0.0146824079224	0.012078310189	0.821711980848	-0.078549837328	0.369450508862	-51.399	-44.396	45.8
47	6.90873071353	-2.37401041808	0.818919352758	2.36480757662	0.78237037756	3.39882039013	0.588397024964	-0.163585194112	-1.04494049945	0.435840433445	0.113072273736	-0.564414761737	1.13986866971	0.00107512263542	-0.622212290072	0.899678600084	-0.0345004736208	-0.415378160671	0.303027319413	0.0198071657568	0.83601622867	-29.313	-60.927	45.665
48	7.38888946008	1.29693488328	-0.272539143089	0.331201550996	-1.18463637804	4.10121130536	0.0549194521093	0.347250718439	-0.859774818001	-0.243280798083	0.158597637958	-0.101877989599	0.779852727654	0.213263449263	-0.199542001606	0.325244830166	0.0252231476481	-0.056345139689	0.216760267329	-0.105600955272	0.406879058376	-28.915	-55.247	36.055
49	5.70883775238	1.81762517617	-1.5261374459	7.68495636764	-4.97866813095	4.455841018	0.0944180265023	0.545060953152	-0.150430813598	-0.62540842762	0.0617091179631	0.047747213384	0.138471239895	-0.107224158605	-0.123867681323	0.292334135204	-0.013696139922	0.00133668113488	0.362692270794	-0.0318567178827	0.196106228618	-31.752	-38.139	26.978
50	8.29339289758	6.57035127759	-4.89443631395	9.29880867077	-7.65002126531	6.25321328376	-0.949930177666	1.41598023439	0.0745644346384	-1.7436071073	1.30051407414	0.500776628966	0.949398262292	-0.601834611593	-0.334333085523	0.453228271646	-0.150201486192	-0.0902321748309	0.489620047937	0.00808850577204	0.293717845467	-41.658	-47.92	25.657
51	2.18306770042	0.339764807344	-1.01673303244	7.84525283598	3.05124386842	2.31414423304	-0.0865309776123	0.0259288503923	-0.259247595963	0.286418597806	0.0392723775898	0.614881299362	0.381526819935	-1.05797153115	-0.025779316587	0.377478261363	-0.156878874591	-0.0773300241034	0.587225990055	0.0425843760421	0.430368107933	-51.479	-56.955	38.651
52	7.290895991	1.1656059583	2.20045329022	1.31837488712	0.964436138131	3.72528173708	-0.324799381916	0.124294482586	0.175907760589	-0.22585941089	0.18521382896	0.136240697018	-0.283254655769	-0.339224606217	0.135314148707	0.222603040416	0.00622857788146	-0.0509263548716	0.200804890879	-0.000645192901019	0.225258235019	-35.171	-46.443	39.147
53	7.48541926868	2.6362387345	-5.09022186824	9.18046881209	-2.95496649808	6.08997848875	0.336228573316	0.241559836468	-0.214164803552	-0.131044413427	-0.269346954906	0.724739965052	0.401929430523	-0.287366158657	-0.108247932529	0.440872666893	0.026332326412	-0.125398054928	0.489422118908	-0.129752655632	0.416670711361	-18.985	-49.381	57.123
54	5.64148050281	-2.89070910024	1.74927283361	6.31267763445	-0.396009934419	2.99555381868	-0.278359855576	-0.191554436932	0.316242899351	0.00171729586693	0.0170368649216	0.396121872476	-1.02997755059	-0.639954989524	0.132214626795	0.449839789134	0.185829328012	-0.0719416460383	0.28376666086	-0.0364482246589	0.218625986895	-34.949	-30.64	47.734
55	5.54372731005	-3.60635045606	3.5239862034	4.91529172242	-3.28935732994	4.21053883088	-0.100580562537	-0.145448658553	0.224909954797	-0.236501100218	0.00572447934056	0.022203733766	-0.610217324456	-0.271754419044	0.0989521082217	0.372682558781	0.0663589232497	-0.0473607734768	0.20937336973	-0.0182053373019	0.177311535545	-28.458	-30.254	51.144
56	7.64660274325	-1.03914747408	4.5946852701	8.11348256613	-2.60125750614	2.0141969275	-0.301522566305	-1.17442865188	-0.229363123961	1.09615093245	-0.0671668737292	-0.0628657705313	0.240680478148	0.19043207574	0.496510184918	0.387910214002	0.134232137338	0.0249038006352	0.476768772146	0.0330219044475	0.245871034789	-32.217	-36.725	58.195
57	8.72276421485	-4.38551842698	0.920999435223	2.9994582025	-0.461038275196	6.20759353095	0.056438651681	-0.577290930592	-0.820059235579	0.248963660376	0.0917191922194	0.0760649303883	0.277662658756	-0.506697566119	-0.0878415114218	0.234262369482	-0.0669686455171	-0.0689323708207	0.245533708286	0.0525212195824	0.332399996838	-32.678	-48.032	50.372
58	9.29090574967	0.509348055557	-4.08628484807	9.40731261711	-5.59675935662	7.80467396739	1.04870318942	-1.07645155304	-3.40707228836	0.21755248653	-0.55852628931	-0.780489808008	0.666267536348	1.27202723596	-0.485040749264	0.701028975879	0.281137147125	-0.277305572938	0.902098989691	-0.0585424782945	1.07499465296	-11.84	-57.505	48.472
59	7.91639941702	-6.8881099124	1.56449515761	8.06478490184	-2.45405268877	5.59386581857	-0.0112146962928	0.414446225549	-0.00101456249204	-0.167824939055	0.0279119736097	-0.515141769973	-0.0513434494422	0.883959252511	-0.00626047462386	0.233979472833	-0.0357744995939	0.0270255876179	0.361649258349	-0.119718366336	0.279179427369	-18.565	-42.747	36.816
60	4.22831032852	0.113824232776	2.21975307764	8.33793234589	-5.3915756646	7.38282122471	0.210197340058	-0.922230652893	-1.58753380085	0.543193891272	-0.256120252848	-1.19854698248	0.0434759143313	1.28231824694	-0.0221279836206	0.397886963534	0.0140450825873	0.010812040373	0.982252922437	-0.0635255017137	1.4353559833	-8.228	-57.313	43.508

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 14:24 )	A	14 - 24
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 25:31 )	A	25 - 31
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 32:52 )	A	32 - 52
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 53:68 )	A	53 - 68
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 69:81 )	A	69 - 81
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 82:105 )	A	82 - 105
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 106:123 )	A	106 - 123
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 124:133 )	A	124 - 133
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 134:162 )	A	134 - 162
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 163:184 )	A	163 - 184
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 185:200 )	A	185 - 200
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 201:214 )	A	201 - 214
13	X-RAY DIFFRACTION	13	( CHAIN A AND RESID 215:234 )	A	215 - 234
14	X-RAY DIFFRACTION	14	( CHAIN A AND RESID 235:256 )	A	235 - 256
15	X-RAY DIFFRACTION	15	( CHAIN A AND RESID 257:298 )	A	257 - 298
16	X-RAY DIFFRACTION	16	( CHAIN A AND RESID 299:329 )	A	299 - 329
17	X-RAY DIFFRACTION	17	( CHAIN A AND RESID 330:336 )	A	330 - 336
18	X-RAY DIFFRACTION	18	( CHAIN A AND RESID 337:365 )	A	337 - 365
19	X-RAY DIFFRACTION	19	( CHAIN A AND RESID 366:384 )	A	366 - 384
20	X-RAY DIFFRACTION	20	( CHAIN A AND RESID 385:393 )	A	385 - 393
21	X-RAY DIFFRACTION	21	( CHAIN B AND RESID 12:27 )	B	12 - 27
22	X-RAY DIFFRACTION	22	( CHAIN B AND RESID 28:36 )	B	28 - 36
23	X-RAY DIFFRACTION	23	( CHAIN B AND RESID 37:50 )	B	37 - 50
24	X-RAY DIFFRACTION	24	( CHAIN B AND RESID 51:68 )	B	51 - 68
25	X-RAY DIFFRACTION	25	( CHAIN B AND RESID 69:79 )	B	69 - 79
26	X-RAY DIFFRACTION	26	( CHAIN B AND RESID 80:103 )	B	80 - 103
27	X-RAY DIFFRACTION	27	( CHAIN B AND RESID 104:129 )	B	104 - 129
28	X-RAY DIFFRACTION	28	( CHAIN B AND RESID 130:162 )	B	130 - 162
29	X-RAY DIFFRACTION	29	( CHAIN B AND RESID 163:183 )	B	163 - 183
30	X-RAY DIFFRACTION	30	( CHAIN B AND RESID 184:197 )	B	184 - 197
31	X-RAY DIFFRACTION	31	( CHAIN B AND RESID 198:212 )	B	198 - 212
32	X-RAY DIFFRACTION	32	( CHAIN B AND RESID 213:228 )	B	213 - 228
33	X-RAY DIFFRACTION	33	( CHAIN B AND RESID 229:267 )	B	229 - 267
34	X-RAY DIFFRACTION	34	( CHAIN B AND RESID 268:283 )	B	268 - 283
35	X-RAY DIFFRACTION	35	( CHAIN B AND RESID 284:290 )	B	284 - 290
36	X-RAY DIFFRACTION	36	( CHAIN B AND RESID 291:329 )	B	291 - 329
37	X-RAY DIFFRACTION	37	( CHAIN B AND RESID 330:335 )	B	330 - 335
38	X-RAY DIFFRACTION	38	( CHAIN B AND RESID 336:366 )	B	336 - 366
39	X-RAY DIFFRACTION	39	( CHAIN B AND RESID 367:389 )	B	367 - 389
40	X-RAY DIFFRACTION	40	( CHAIN B AND RESID 390:393 )	B	390 - 393
41	X-RAY DIFFRACTION	41	( CHAIN C AND RESID 12:28 )	C	12 - 28
42	X-RAY DIFFRACTION	42	( CHAIN C AND RESID 29:36 )	C	29 - 36
43	X-RAY DIFFRACTION	43	( CHAIN C AND RESID 37:52 )	C	37 - 52
44	X-RAY DIFFRACTION	44	( CHAIN C AND RESID 53:64 )	C	53 - 64
45	X-RAY DIFFRACTION	45	( CHAIN C AND RESID 65:87 )	C	65 - 87
46	X-RAY DIFFRACTION	46	( CHAIN C AND RESID 88:103 )	C	88 - 103
47	X-RAY DIFFRACTION	47	( CHAIN C AND RESID 104:129 )	C	104 - 129
48	X-RAY DIFFRACTION	48	( CHAIN C AND RESID 130:162 )	C	130 - 162
49	X-RAY DIFFRACTION	49	( CHAIN C AND RESID 163:182 )	C	163 - 182
50	X-RAY DIFFRACTION	50	( CHAIN C AND RESID 183:197 )	C	183 - 197
51	X-RAY DIFFRACTION	51	( CHAIN C AND RESID 198:219 )	C	198 - 219
52	X-RAY DIFFRACTION	52	( CHAIN C AND RESID 220:252 )	C	220 - 252
53	X-RAY DIFFRACTION	53	( CHAIN C AND RESID 253:266 )	C	253 - 266
54	X-RAY DIFFRACTION	54	( CHAIN C AND RESID 267:300 )	C	267 - 300
55	X-RAY DIFFRACTION	55	( CHAIN C AND RESID 301:329 )	C	301 - 329
56	X-RAY DIFFRACTION	56	( CHAIN C AND RESID 330:335 )	C	330 - 335
57	X-RAY DIFFRACTION	57	( CHAIN C AND RESID 336:363 )	C	336 - 363
58	X-RAY DIFFRACTION	58	( CHAIN C AND RESID 364:368 )	C	364 - 368
59	X-RAY DIFFRACTION	59	( CHAIN C AND RESID 369:390 )	C	369 - 390
60	X-RAY DIFFRACTION	60	( CHAIN C AND RESID 391:393 )	C	391 - 393

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