PDB-3kgd: Crystal structure of E. coli RNA 3' cyclase

ID or keywords:

Entry

Database: PDB / ID: 3kgd

Title

Crystal structure of E. coli RNA 3' cyclase

Components

RNA 3'-terminal phosphate cyclase

Keywords

LIGASE / Cyclase / RNA processing / 3' modifying enzymes / adenylate / phosphoramidate

Function / homology

Function and homology information

RNA 3'-terminal-phosphate cyclase (ATP) / RNA-3'-phosphate cyclase activity / RNA processing / ATP binding / cytoplasm
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.68 Å

Authors

Shuman, S. / Tanaka, N. / Smith, P.

Citation

Journal: Structure / Year: 2010
Title: Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Authors: Tanaka, N. / Smith, P. / Shuman, S.

History

Deposition	Oct 28, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 21, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Source and taxonomy / Version format compliance
Revision 1.2	Mar 21, 2012	Group: Database references
Revision 1.3	Nov 1, 2017	Group: Refinement description / Category: software
Revision 1.4	Sep 6, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_alt_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_alt_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr2_label_alt_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn_type.id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.5	Nov 6, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3kgd.cif.gz	583.7 KB	Display	PDBx/mmCIF format
PDB format	pdb3kgd.ent.gz	478.6 KB	Display	PDB format
PDBx/mmJSON format	3kgd.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/kg/3kgd ftp://data.pdbj.org/pub/pdb/validation_reports/kg/3kgd	HTTPS FTP

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Related structure data

Related structure data	1qmhS S: Starting model for refinement
Similar structure data	3tux-d 3tv1-2 3wv5-2 1lio-d 3tv1-1 5mlg-d 4v24-1 7agb-3 3egg-2 3fqg-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

1qmhS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#218 - Feb 2018 EPSP Synthase and Weedkillers similarity (1) #129 - Sep 2010 Isocitrate Dehydrogenase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1)

Deposited unit

A: RNA 3'-terminal phosphate cyclase

B: RNA 3'-terminal phosphate cyclase

C: RNA 3'-terminal phosphate cyclase

D: RNA 3'-terminal phosphate cyclase

hetero molecules

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

1

A: RNA 3'-terminal phosphate cyclase

hetero molecules

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

2

B: RNA 3'-terminal phosphate cyclase

hetero molecules

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

3

C: RNA 3'-terminal phosphate cyclase

hetero molecules

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

4

D: RNA 3'-terminal phosphate cyclase

hetero molecules

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

Unit cell

Length a, b, c (Å)	83.728, 81.932, 105.176
Angle α, β, γ (deg.)	90.000, 103.440, 90.000
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	RNA 3'-terminal phosphate cyclase / RNA-3'-phosphate cyclase / RNA cyclase Mass: 38344.633 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: Encodes an N-terminal decahistidine tag / Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K-12 substr. MG1655 / Gene: b4475, JW5688, rtcA, yhgJ, yhgK, YP_026219 / Plasmid: pET16b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-CodonPlus References: UniProt: P46849, RNA 3'-terminal-phosphate cyclase (ATP)

#1: Protein

RNA 3'-terminal phosphate cyclase / RNA-3'-phosphate cyclase / RNA cyclase

Mass: 38344.633 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: Encodes an N-terminal decahistidine tag / Source: (gene. exp.)

Escherichia coli (E. coli) / Strain: K-12 substr. MG1655 / Gene: b4475, JW5688, rtcA, yhgJ, yhgK, YP_026219 / Plasmid: pET16b / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-CodonPlus
References: UniProt: P46849, RNA 3'-terminal-phosphate cyclase (ATP)

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Non-polymers , 5 types, 1535 molecules

#2: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE Mass: 347.221 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Na
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO₄
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1508 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.29 Å³/Da / Density % sol: 46.23 %
Crystal grow	Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 100 mM Na MES pH 6.5, 200 mM Ammonium sulfate, 20% w/v PEG 5000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 300K

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Data collection

Diffraction

Mean temperature: 130 K

Diffraction source

Source:

SYNCHROTRON / Site:

NSLS

/ Beamline: X29A / Wavelength: 1.1 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 11, 2009
Details: See Beamline Documentation http://www.px.nsls.bnl.gov/x29/x29_info.html

Radiation

Monochromator: 3 sweeps with various exposure times and oscillation angles
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.1 Å / Relative weight: 1

Reflection

Redundancy: 3.2 % / Av σ(I) over netI: 17.15 / Number: 1062888 / R_merge(I) obs: 0.074 / Χ²: 1.13 / D res high: 1.6 Å / D res low: 50 Å / Num. obs: 336366 / % possible obs: 93.9

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	Chi squared	Redundancy
4.97	50	98.8	1	0.048	1.321	3.7
3.95	4.97	99.5	1	0.055	1.464	4
3.45	3.95	99.3	1	0.066	1.609	4.5
3.13	3.45	98.6	1	0.075	1.653	4
2.91	3.13	98.5	1	0.079	1.633	3.7
2.74	2.91	97.8	1	0.066	1.709	3.3
2.6	2.74	97.5	1	0.073	1.69	3.4
2.49	2.6	97.1	1	0.083	1.669	3.4
2.39	2.49	96.8	1	0.087	1.537	3.4
2.31	2.39	96.4	1	0.087	1.384	3.4
2.24	2.31	95.9	1	0.093	1.233	3.5
2.17	2.24	95.5	1	0.097	1.166	3.4
2.11	2.17	95.5	1	0.11	1.066	3.5
2.06	2.11	95	1	0.121	0.979	3.5
2.02	2.06	95	1	0.142	0.913	3.5
1.97	2.02	95.1	1	0.157	0.863	3.5
1.93	1.97	94.8	1	0.189	0.793	3.5
1.9	1.93	94	1	0.219	0.741	3.4
1.86	1.9	93	1	0.252	0.698	3.1
1.83	1.86	92.2	1	0.294	0.639	3
1.8	1.83	91.6	1	0.321	0.633	2.9
1.77	1.8	90.8	1	0.375	0.596	2.8
1.75	1.77	90.6	1	0.41	0.569	2.7
1.72	1.75	89.9	1	0.475	0.546	2.6
1.7	1.72	89.5	1	0.525	0.548	2.5
1.68	1.7	89.4	1	0.602	0.54	2.4
1.66	1.68	88.8	1	0.693	0.549	2.3
1.64	1.66	87.2	1	0.62	0.589	1.8
1.62	1.64	86.6	1	0.72	0.583	1.8
1.6	1.62	86.1	1	0.805	0.573	1.8

Reflection

Resolution: 1.68→40 Å / Num. obs: 155565 / % possible obs: 93.9 % / Redundancy: 6.1 % / R_merge(I) obs: 0.074 / Χ²: 1.13 / Net I/σ(I): 10.5

Reflection shell

Resolution: 1.68→1.7 Å / Redundancy: 4.1 % / R_merge(I) obs: 0.551 / Mean I/σ(I) obs: 2.13 / Num. unique all: 5035 / Χ²: 0.573 / % possible all: 96.7

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing
PHENIX	1.4_125	refinement
PDB_EXTRACT	3.005	data extraction
HKL-2000		data collection

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1QMH

1qmh

Resolution: 1.68→35.137 Å / Occupancy max: 1 / Occupancy min: 0.22 / SU ML: 0.22 / Isotropic thermal model: Isotropic with Anisotropic TLS / Cross valid method: THROUGHOUT / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.207	7847	5.04 %	Random
R_work	0.168	-	-	-
obs	0.17	155565	98.87 %	-

Solvent computation

Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 55.963 Å² / k_sol: 0.338 e/Å³

Displacement parameters

B_iso max: 147.78 Å² / B_iso mean: 32.107 Å² / B_iso min: 13.31 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.114 Å²	-0 Å²	0.559 Å²
2-	-	-4.18 Å²	-0 Å²
3-	-	-	4.066 Å²

Refinement step

Cycle: LAST / Resolution: 1.68→35.137 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10103	0	193	1508	11804

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	10918
X-RAY DIFFRACTION	f_angle_d	1.461	14939
X-RAY DIFFRACTION	f_chiral_restr	0.098	1760
X-RAY DIFFRACTION	f_plane_restr	0.007	1951
X-RAY DIFFRACTION	f_dihedral_angle_d	16.237	3990

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.68-1.74	0.259	770	0.216	14437	15207	97
1.74-1.81	0.247	769	0.2	14466	15235	97
1.81-1.892	0.249	773	0.193	14609	15382	98
1.892-1.992	0.23	754	0.182	14709	15463	99
1.992-2.117	0.229	790	0.176	14773	15563	99
2.117-2.28	0.203	795	0.162	14832	15627	99
2.28-2.509	0.217	794	0.166	14827	15621	100
2.509-2.872	0.224	846	0.171	14874	15720	100
2.872-3.618	0.194	739	0.162	15048	15787	100
3.618-35.137	0.179	817	0.152	15143	15960	100

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	9.1947	-4.6634	2.9322	2.3939	-1.3747	1.4568	-0.1125	0.5649	0.0402	-0.281	0.343	0.4507	-0.2353	-0.1601	-0.0512	1.175	0.114	-0.2908	0.6093	-0.1797	0.4866	-37.907	11.6071	-29.8155
2	1.0039	0.0133	-0.0162	1.9488	0.6651	1.1712	0.0343	0.0864	0.1336	-0.2521	0.0112	0.0117	-0.0578	-0.1172	-0.0342	0.1302	-0.0009	0.0059	0.1526	0.0037	0.1717	-34.8372	11.8182	-13.2342
3	2.2661	-1.9347	-2.3969	2.7283	2.4064	3.0929	0.1809	-1.4337	0.2433	0.4753	0.6823	-0.8465	0.0898	0.7023	-0.7695	0.1915	0.0075	-0.077	0.2973	-0.0563	0.3838	-25.0603	16.3088	-4.8436
4	0.3495	0.1212	0.0522	2.7046	-0.0124	0.6184	0.0117	-0.0746	0.1798	0.2279	0.181	-1.0038	0.007	0.0746	-0.1575	0.2272	-0.0116	0.0676	0.1735	-0.0074	0.2779	-21.1409	8.3807	-18.0094
5	1.3795	0.8333	-0.5031	2.2073	0.9164	1.4521	-0.0028	-0.136	0.3072	-0.4227	0.0832	-0.533	-0.7299	0.4493	-0.1263	0.2102	-0.0442	0.0275	0.1757	-0.0126	0.3045	-27.1939	19.7208	-14.724
6	2.4768	-0.9368	-1.5166	1.8244	1.3139	1.6458	0.3158	0.8524	-0.0845	-0.9705	-0.375	-0.2159	-0.3533	-0.0428	0.0463	0.2499	-0.0155	0.1016	0.2985	-0.013	0.199	-24.3245	7.5214	-25.0073
7	0.4242	0.5273	0.8201	2.6475	-0.5343	4.4278	-0.0767	0.3194	-0.1737	-0.2256	-0.0417	-0.8678	-0.1781	1.4286	-0.0614	0.1507	0.0237	0.0902	0.301	-0.0239	0.3435	-14.2228	0.8945	-14.3059
8	1.2575	-0.1546	0.1336	0.1155	-0.3385	1.0724	-0.5175	0.3185	0.9237	-0.8958	0.1147	-0.0538	0.0857	0.2988	0.3723	0.4023	-0.0444	-0.2288	0.1308	-0.0456	0.7373	-18.1369	7.8707	-1.0239
9	1.0303	-0.9131	-0.479	1.1945	-0.0925	1.4404	0.0244	0.0503	0.0122	-0.1379	-0.1367	-0.1978	0.2138	0.2977	0.0765	0.1625	0.02	0.0416	0.2094	0.0072	0.2246	-22.6998	-2.1002	-13.9553
10	1.4812	1.2261	-0.0789	1.3583	-0.6569	0.8109	0.1352	-0.4778	0.0127	0.1741	-0.293	-0.246	0.112	0.0743	0.1777	0.1665	-0.0008	-0.01	0.2588	0.0142	0.2622	-25.7037	-6.7773	-2.2503
11	1.9015	1.0467	0.8765	1.0912	0.6035	1.8892	0.2228	0.0877	-0.1995	0.121	0.005	-0.2866	0.2878	0.3137	-0.1834	0.1646	0.0204	0.0305	0.1677	-0.0158	0.277	-21.4313	-7.1988	-7.5891
12	0.4349	-0.634	-0.1543	0.8919	0.0382	1.0073	0.076	0.0161	-0.2523	-0.2296	0.0931	0.1248	0.2234	-0.1653	-0.0829	0.2123	-0.02	-0.0097	0.1546	-0.0166	0.22	-40.5054	-17.6132	-9.0653
13	1.3046	-1.0667	-0.037	0.8236	-0.0063	0.6801	-0.1901	0.2657	-0.0857	-0.1281	0.1984	-0.2991	-0.2974	0.1656	0.0455	0.216	-0.0268	-0.0682	0.1779	0.0125	0.2872	-24.8627	-14.0967	9.3694
14	3.7413	1.9437	1.9747	3.1557	0.5243	1.0113	0.3339	-0.4313	-0.3103	0.8393	-0.2139	-0.2144	0.0083	-0.0059	-0.0872	0.3373	-0.0336	0.0165	0.2122	-0.0018	0.1387	-25.6524	-15.2279	15.6037
15	6.6887	0.3249	-0.4548	5.7257	1.8457	4.2404	0.2932	-0.0016	0.1639	1.4844	-0.4269	-2.9393	-0.1071	1.0746	0.4564	0.4266	-0.1643	-0.2582	0.2204	0.013	0.7141	-12.4314	-5.3206	11.4838
16	1.0163	-1.0534	0.0838	1.6042	0.0912	1.1581	0.043	0.0927	0.0775	0.1248	0.1486	-0.0469	0.035	0.2045	-0.1145	0.1547	-0.007	0.0206	0.1458	0.0018	0.2151	-32.1343	-12.9299	4.2506
17	2.7901	2.7366	1.261	5.5466	1.9008	1.3745	0.7373	-1.3645	0.9084	0.6139	-1.044	0.1097	-1.7608	0.4605	0.3917	0.7538	-0.274	0.005	0.4944	-0.2147	0.4665	-25.4905	1.3922	17.3643
18	2.036	2.4822	1.0863	3.1616	0.8224	2.9453	-0.1366	-0.1817	1.0447	-0.0311	-0.1193	0.8121	-0.5431	-0.1183	0.4551	0.1542	0.0149	0.1177	0.1907	-0.118	0.2917	-36.1289	-8.1391	13.0141
19	1.5254	0.2887	0.2421	1.5491	-0.7156	0.2875	0.0637	-0.268	-0.013	0.1311	-0.0793	0.1453	0.012	-0.0072	0.0025	0.133	0.0034	0.0118	0.1492	0.0079	0.214	-40.9635	-7.6106	-7.7361
20	0.9594	-0.3485	-0.2422	1.4159	-0.9831	0.5297	-0.0094	-0.0672	0.0998	-0.0289	0.0665	0.3673	0.0652	-0.0844	-0.0632	0.1753	-0.0142	-0.0269	0.192	-0.0012	0.2319	-42.6609	1.9233	-13.9624
21	0.3721	0.3052	-0.4311	2.3025	-1.3109	3.4971	0.0314	0.1646	-0.0164	-0.0818	0.5505	1.0672	0.7446	-1.2536	-0.7003	0.1597	-0.0206	0.0033	0.3035	0.1324	0.4019	-51.3323	-7.5582	-9.094
22	3.4562	-0.6604	-0.5777	4.0255	0.0625	0.0905	-0.007	0.6845	0.0249	-1.4602	-0.0224	-0.5322	0.845	1.1243	-0.0508	0.35	0.0961	0.0913	0.378	-0.0512	0.2649	-0.6648	-51.6905	-20.9208
23	-0.2439	0.2802	-0.2931	1.5566	-0.4771	-0.0553	0.0182	0.0812	-0.1127	-0.1793	0.0259	-0.1495	-0.0689	0.092	-0.048	0.2118	-0.0018	-0.0154	0.182	0.0021	0.1582	-6.2216	-48.8789	-14.2902
24	3.2489	-2.7536	-0.8762	4.6714	-0.9173	1.7445	-0.1481	-1.093	-0.2022	1.1382	0.5083	1.0419	0.0957	-0.1773	-0.295	0.2105	-0.0082	0.0406	0.2159	0.0333	0.2848	-15.4564	-54.7121	-6.1574
25	0.5702	-0.9449	0.3453	2.1013	0.4999	2.1586	-0.0054	0.1304	-0.211	-0.369	0.0518	0.6742	0.4101	-0.5902	-0.0108	0.2458	-0.04	-0.0493	0.1729	-0.0207	0.1964	-17.6613	-46.9339	-19.0779
26	0.6516	0.1443	0.6781	1.8418	-1.3172	2.2655	0.1263	0.1642	-0.148	-0.6034	-0.0936	0.2004	0.8461	-0.2609	-0.1358	0.2955	0.0085	-0.0893	0.2246	-0.018	0.2137	-12.8756	-57.7373	-16.0263
27	1.6387	-0.6063	0.2817	3.7197	0.6875	0.188	0.2884	0.0967	-0.0021	-0.8914	-0.1786	0.15	0.0538	-0.1231	-0.1073	0.3136	0.0201	-0.0888	0.2236	0.0011	0.1132	-17.5667	-42.5367	-24.0552
28	2.1658	0.1408	0.283	2.7372	1.5872	1.0431	-0.1337	0.1136	-0.1037	-0.0445	-0.115	0.1821	-0.1424	-0.2394	0.2022	0.1829	-0.0059	-0.0418	0.2258	-0.0354	0.147	-18.7701	-36.8243	-13.2347
29	2.1422	-0.0129	0.822	0.5915	0.9733	1.9771	-0.0111	-0.2852	0.082	-0.0752	-0.0661	0.2332	-0.153	-0.2918	0.1204	0.2386	0.0069	-0.0385	0.2228	-0.0256	0.1669	-12.0145	-28.0319	-7.5094
30	4.597	1.835	-3.0043	2.8991	-1.8948	5.7968	0.6112	-0.2134	1.1334	0.0185	-0.1707	0.8275	-0.9817	-0.2858	-0.0009	0.1909	0.0333	-0.0036	0.2826	-0.0876	0.2432	-24.0632	-29.8683	-5.9613
31	2.5908	0.5429	1.2447	2.0893	1.4356	1.3155	0.0501	-0.0875	-0.1717	-0.1128	-0.1322	0.0277	0.5951	-0.0592	0.0466	0.1515	0.0115	-0.0115	0.1823	-0.0506	0.1497	-21.0704	-34.6122	-6.9317
32	0.8123	0.3896	0.3311	1.6637	-0.2207	0.1212	-0.0039	0.1171	0.1911	-0.5044	0.1039	0.0235	-0.2311	0.1304	-0.0452	0.2458	-0.0086	-0.0174	0.1902	0.0009	0.1867	-1.4421	-19.7724	-7.9726
33	4.7939	3.2647	-0.7994	4.1958	-0.1234	0.9392	-0.3237	-0.1499	0.5797	-0.307	0.4016	0.5872	0.0498	-0.1021	-0.0269	0.2199	0.0175	0.0318	0.1974	0.0076	0.1994	-18.8937	-27.1938	9.5605
34	4.2419	1.0458	0.8388	1.0255	-0.4147	0.5912	0.3429	-1.5763	0.1405	0.9741	-0.2092	0.1207	-0.5988	-0.2477	-0.0956	0.3853	0.0118	0.062	0.4896	-0.0196	0.136	-15.7756	-26.6213	18.0799
35	2.1428	-1.471	-0.2699	2.6496	-0.4354	0.8072	-0.0387	-0.1851	0.3166	0.1771	0.2173	0.2955	-0.1896	-0.1725	-0.1629	0.2166	0.0118	0.017	0.2361	-0.0053	0.1787	-20.985	-23.1605	9.8455
36	1.3331	-1.3433	0.0281	1.2339	0.0981	1.3069	-0.0691	-0.068	-0.2955	0.0602	0.0359	0.1023	0.0178	-0.0618	0.0113	0.1548	-0.0102	0.0056	0.2006	-0.0176	0.1404	-13.9297	-27.6685	4.4645
37	3.6055	1.881	-2.0977	2.5337	-3.1138	3.8467	0.1513	-0.9961	-2.7138	-0.0546	-0.0246	-0.2291	0.9481	-0.8657	-0.704	0.3105	-0.1241	0.0281	0.3709	0.2222	0.5964	-15.6413	-39.3811	11.3927
38	4.5699	2.3094	-1.5045	1.8651	-1.6358	2.3771	-0.1373	-0.8152	-1.0648	0.1272	-0.3255	-0.4399	0.5871	0.1193	0.2803	0.32	-0.0483	0.0185	0.3559	0.1021	0.3097	-8.2995	-33.9212	14.2952
39	0.112	0.1169	0.2296	1.0478	1.5629	1.2479	0.067	-0.0584	-0.0825	0.0017	-0.018	-0.1631	0.049	0.1236	-0.0272	0.2029	-0.0128	-0.0095	0.1977	-0.011	0.1541	0.2987	-29.6708	-6.2465
40	0.8313	0.4896	0.3842	2.2339	1.21	0.5708	0.043	-0.0235	-0.3186	-0.0714	0.149	-0.417	-0.0307	0.1457	-0.1314	0.1512	-0.0087	0.0091	0.1995	-0.0193	0.2373	3.9043	-38.4743	-12.9641
41	0.9183	-0.0712	0.1754	1.9028	1.1616	2.8591	-0.04	0.1698	0.0373	-0.1234	0.3478	-0.8438	-0.8395	0.8928	-0.3863	0.1953	-0.0368	0.0404	0.27	-0.0512	0.2578	10.0616	-28.9414	-7.8347
42	1.9426	-0.6731	-0.9738	1.9355	0.3336	0.5544	-0.0858	-0.4551	-0.0075	0.2164	0.0904	-0.1929	0.2915	0.593	-0.0857	0.2737	-0.0019	-0.009	0.2442	0.0507	0.2036	-31.2334	-25.9571	-34.6773
43	0.1138	-0.6445	-0.4149	1.5724	-0.57	1.1711	-0.084	-0.0712	0.0136	0.2228	0.0544	0.1245	0.0225	0.3115	0.042	0.2178	0.0334	0.0037	0.2068	0.0207	0.1621	-36.8016	-28.5587	-36.1204
44	2.0275	4.0483	1.4674	3.9641	-0.7712	2.5709	-0.2838	1.5853	-0.1445	-1.0412	0.809	0.6189	-0.1671	-0.6036	-0.3271	0.2261	0.0298	0.0149	0.2385	0.0211	0.2713	-44.8341	-21.425	-45.5762
45	0.0764	0.2097	-0.3137	1.2984	0.432	1.0867	-0.2039	-0.1183	0.006	0.2043	-0.0478	0.7877	0.3386	-0.5217	0.2692	0.2544	0.0542	0.0712	0.2147	-0.0223	0.3078	-47.4865	-30.0817	-33.5203
46	0.6615	-0.6024	0.186	1.3814	-1.6175	3.6782	-0.0276	-0.0029	0.0506	0.4081	0.0537	0.5201	-0.8862	-0.438	-0.0309	0.3374	0.0578	0.033	0.2085	0.009	0.2422	-43.1926	-19.3801	-34.9581
47	1.2694	1.226	0.2144	1.3986	0.0471	0.035	0.0071	-0.6281	0.047	1.0124	-0.3258	0.0185	-0.2384	0.3535	0.0436	0.4216	0.0706	0.1145	0.2769	0.0171	0.1724	-41.857	-29.3666	-26.1748
48	0.0921	0.2389	0.1429	0.8177	0.1379	2.7421	-0.3404	-0.2992	-0.0155	0.231	0.2138	0.8328	-0.2763	-1.2137	0.1414	0.2121	0.0541	0.1777	0.3522	0.0005	0.5716	-54.0687	-38.7098	-31.8706
49	2.4593	-0.9615	-0.031	2.5862	1.4268	1.63	-0.0943	0.1126	-0.2907	-0.0274	-0.0523	0.7506	-0.0715	-0.2666	0.1356	0.1461	0.0037	0.0567	0.1769	0.0163	0.3261	-45.8027	-42.9587	-41.1621
50	2.7513	-0.7976	0.7658	1.5363	1.446	0.9058	-0.0166	0.2003	-0.3734	-0.0448	-0.3412	0.7	0.1029	0.0313	0.2311	0.1629	0.0191	0.0151	0.2054	-0.0264	0.5223	-48.1398	-46.9936	-43.6902
51	1.0752	-0.6831	-0.7833	1.2056	0.0321	1.9508	0.364	-0.0492	-0.26	0.0249	-0.1673	0.2688	-0.2346	0.2634	-0.2667	0.2128	0.0415	0.0077	0.2025	0.0011	0.6224	-52.3095	-42.6475	-42.4884
52	1.283	-0.2869	1.0131	1.0617	-0.6929	1.2883	0.0029	-0.1522	-0.3732	0.2791	0.279	0.1633	0.1084	0.1419	-0.0408	0.1996	0.021	0.0417	0.1574	0.0777	0.1893	-31.6676	-55.8938	-39.9453
53	1.6204	-1.024	0.4888	2.6354	-0.7728	0.3444	-0.4275	-0.6328	0.1642	0.1172	0.8033	0.5516	-0.0622	-0.2531	-0.237	0.2116	-0.0073	-0.1104	0.2543	0.0591	0.4651	-47.3785	-52.3677	-59.2867
54	3.7807	-0.297	2.4747	2.7788	-1.4463	2.3547	-0.0469	1.697	-0.3788	-0.8768	0.4157	1.0195	0.4577	0.3506	-0.2164	0.2986	-0.0838	-0.1469	0.4938	0.1849	0.4064	-45.8475	-51.2598	-68.5535
55	1.8616	0.7842	0.8688	1.0301	1.4568	2.2064	-0.2125	0.3666	0.8186	-0.0055	-0.0315	0.2527	-0.0445	-0.21	0.2371	0.1839	0.0014	-0.059	0.2158	0.0297	0.4949	-53.1172	-49.1588	-59.8927
56	1.6915	1.3514	-0.1764	0.9773	-0.0081	0.9913	0.0528	0.0932	0.1477	-0.0538	-0.0112	0.3138	0.0638	-0.1112	-0.0022	0.1639	0.0357	-0.0125	0.1908	-0.005	0.2775	-38.2846	-52.6418	-53.8913
57	3.129	1.9351	-0.9295	2.2666	-2.1742	2.6879	1.6171	-0.1493	0.6355	0.5349	-0.3165	0.3888	-1.3484	-0.54	-0.7022	0.5706	0.2319	-0.0722	0.5093	0.5669	1.0648	-47.7253	-35.1826	-67.2258
58	1.3226	1.372	-0.3941	1.9515	0.3958	1.8281	-0.4427	0.9695	0.732	-0.1484	0.5184	0.3869	-0.347	0.2773	-0.084	0.2071	-0.1023	-0.0539	0.3377	0.1986	0.3629	-35.63	-46.3756	-63.2952
59	1.6242	-0.631	-0.391	1.8616	0.5994	0.1459	0.0575	0.0554	-0.084	-0.0771	-0.014	0.1336	-0.2026	0.0253	-0.0454	0.1646	0.0177	0.0177	0.1708	-0.0014	0.1273	-29.4199	-46.8416	-43.639
60	1.0656	-1.172	-0.9229	1.0985	0.873	0.5571	-0.0635	-0.1599	0.1046	-0.0139	0.0633	-0.1172	-0.2049	0.1672	0.0468	0.2185	0.0218	-0.0079	0.2205	0.0157	0.1732	-28.3764	-36.0243	-39.1018
61	1.8776	-0.4829	1.6548	1.8784	-0.7121	1.4241	-0.0297	-0.1789	-0.0905	0.2282	0.2833	-0.3844	-0.0614	-0.2055	-0.1358	0.1769	0.0241	-0.0075	0.198	-0.0133	0.1533	-20.5547	-45.314	-39.1515
62	0.1489	-0.0501	-0.0202	2.0442	1.8653	2.1156	-0.546	0.904	-0.5064	0.409	-0.7002	-0.5328	1.6259	0.0947	0.6662	1.1434	0.1527	0.042	0.3207	0.1979	0.689	10.8567	-46.7565	-81.2276
63	0.8219	0.1608	0.1788	1.7459	-1.5024	1.6162	0.0112	-0.0117	-0.231	-0.1274	-0.0326	-0.092	-0.0308	0.1807	0.022	0.1726	0.0103	-0.0262	0.1788	-0.0052	0.1917	5.2646	-48.8647	-64.4447
64	1.5822	-0.4112	0.8889	1.7933	-1.0621	1.2953	-0.0252	-0.5199	-0.3597	0.4748	0.4795	0.8579	-0.5517	-0.4453	-0.2882	0.2328	0.0219	0.0274	0.2288	0.0406	0.2999	-5.0357	-51.0214	-57.9432
65	1.6394	0.2661	1.1263	1.1132	-0.1324	1.0112	0.123	0.0177	-0.4283	-0.3891	0.0549	0.4095	0.2557	-0.1554	-0.143	0.2779	-0.0139	-0.0933	0.1893	-0.0221	0.2322	-5.1598	-49.3666	-70.5367
66	0.3703	1.1437	-1.1181	4.1836	-1.329	5.6889	0.0416	-0.1531	0.0953	0.1525	-0.0597	1.195	0.3864	-1.1326	0.2366	0.2088	-0.0075	-0.0904	0.2412	-0.0545	0.3168	-14.2683	-39.317	-63.4283
67	1.7221	-0.4902	0.3739	2.4272	1.0697	1.1252	-0.1122	-0.1024	0.0285	0.0265	-0.0745	0.2599	-0.0219	-0.1867	0.1716	0.2004	-0.0036	-0.0396	0.2024	-0.0361	0.2019	-5.0671	-32.622	-59.8942
68	2.0091	0.5699	-0.6578	1.0309	0.2072	0.8591	0.1342	0.3787	0.6141	-0.0559	0.0225	0.4588	-0.2569	-0.3421	-0.0109	0.2953	-0.0155	0.0034	0.1971	-0.0178	0.2487	-6.0602	-26.0554	-62.113
69	1.3476	-0.2308	-0.1817	1.1612	-0.1985	0.8865	0.2529	-0.0042	-0.0239	-0.0038	-0.2736	0.1721	-0.2653	0.2952	-0.0202	0.1937	-0.0355	-0.0317	0.1716	-0.0271	0.2102	-10.2684	-33.0335	-57.4972
70	0.4007	-0.1784	-0.2082	1.3362	1.3743	1.1685	-0.0459	-0.0172	0.2044	-0.309	0.1588	0.0066	-0.5426	0.1099	-0.0179	0.2423	-0.0385	-0.0207	0.1377	0.0055	0.2383	11.2371	-19.0108	-60.4332
71	6.1422	3.6484	-3.5542	7.3618	-1.5152	3.5436	-0.0365	-0.2317	1.2738	0.5781	0.359	1.7534	0.4512	0.0757	-0.2019	0.2075	-0.0101	0.1013	0.1179	-0.0058	0.3192	-4.6546	-22.5265	-42.7096
72	0.3412	0.1418	-0.3732	2.0373	-1.6367	2.212	-0.113	0.0746	-0.6123	0.2208	-1.2786	1.4225	1.4197	-0.3203	0.7552	1.2387	0.0522	0.2147	0.5406	0.0104	0.4382	-12.089	-27.505	-32.3003
73	2.0714	-1.6294	2.7609	7.168	0.2852	0.8448	-0.6363	-2.7217	-0.8589	2.143	0.7905	1.1109	-0.1291	-0.2914	0.4957	0.5778	0.1409	-0.1749	0.3935	-0.3534	-0.3619	0.9388	-20.928	-34.766
74	4.382	2.8033	-3.0064	3.9425	-1.7328	2.8119	-0.7669	0.5647	0.3369	-0.3714	0.8758	0.2911	0.3525	-0.5411	-0.025	0.2461	-0.0391	-0.0048	0.2605	-0.0279	0.2577	-7.9587	-19.7671	-41.6253
75	0.9633	0.1166	-0.8824	0.9061	1.119	2.4609	-0.733	-0.1629	-1.1583	-0.1268	-1.6507	0.6102	0.9017	-1.0455	1.7629	0.6076	-0.2718	0.004	0.3098	-0.3293	1.9486	-18.0345	-32.7867	-42.9917
76	2.3132	-1.9995	-0.6117	2.4534	0.6202	1.5959	-0.2026	0.1691	-0.0073	0.2914	0.18	0.1646	-0.034	-0.2183	0.0566	0.1857	-0.0176	-0.0197	0.1658	-0.0247	0.1615	2.4854	-23.3732	-47.8872
77	1.0257	1.6545	-1.0108	7.1671	0.0913	1.6822	-0.4657	-1.6493	-0.5433	2.5609	0.9393	-0.7225	-0.708	0.3025	-0.0164	0.2015	0.1049	0.469	0.4638	0.7556	1.2186	-4.0365	-38.5679	-34.9986
78	3.6419	0.7891	-0.4972	3.2871	-2.1889	3.2896	-0.3489	-0.7727	-0.9838	0.6404	-0.0423	-0.7035	0.2943	-0.0719	-0.0401	0.389	-0.0007	-0.1038	0.3124	0.0811	0.2527	6.596	-28.8383	-39.1076
79	0.539	-0.1015	0.047	1.6437	1.7801	1.2169	0.0321	-0.0788	0.0594	0.0492	0.0937	-0.2281	0.0316	0.0224	-0.117	0.2096	-0.0302	-0.0333	0.1788	-0.0178	0.2064	11.3761	-28.7674	-59.1992
80	1.5545	0.0513	-0.1294	3.3761	0.5461	0.7282	-0.0265	0.1362	-0.1882	-0.0399	0.1991	-0.4925	0.0792	0.1386	-0.1541	0.1792	0.0109	0.0018	0.2057	-0.0145	0.2135	13.4669	-38.9302	-64.2677
81	0.2966	0.3375	0.8557	2.6541	3.1535	7.2672	0.1978	0.5026	-0.1599	-0.1248	1.1054	-1.3365	-0.3416	2.5014	-1.2596	0.1757	-0.0452	-0.0045	0.4639	-0.1973	0.4732	21.9251	-29.4254	-60.4465
82	3.8275	-1.1622	-0.519	5.2858	3.8563	3.102	-0.2193	-1.4532	-0.3179	0.0146	-0.0351	0.5645	0.1827	-0.0858	-0.0258	0.2781	-0.0097	-0.0264	0.3217	0.0054	0.1911	-7.9324	-37.8491	-2.0964
83	2.7031	1.3734	0.2322	0.9704	0.5064	0.5921	-0.0234	-0.3489	0.0547	-0.4765	0.2688	-0.2215	0.0715	0.026	-0.3314	0.1709	-0.0007	0.0166	0.2831	-0.0516	0.2486	-33.0423	-0.2959	-1.3804
84	4.8837	-0.4534	-0.3322	0.962	-0.1046	1.4334	-0.0325	0.9334	-0.2567	0.2176	-0.0475	0.8693	-0.2513	0.1142	-0.0003	0.2519	0.0063	-0.0339	0.257	0.0017	0.2692	-37.8125	-39.348	-49.0217
85	3.2156	-1.339	-0.1713	2.3475	1.7406	1.5814	0.0544	-1.0648	0.0877	-0.0586	-0.1594	0.5781	0.1954	0.1457	-0.012	0.3084	-0.0187	0.0552	0.2818	-0.0079	0.2393	3.4925	-36.2141	-52.7801
86	0.2021	-0.0028	0.0697	0.0651	-0.0226	0.2241	-0.8825	-0.1017	1.568	1.5897	0.387	1.9809	-0.1664	-0.3723	0.4745	0.7366	0.138	-0.1835	0.5091	0.2272	0.7439	-6.0557	-50.9178	-3.3283
87	0.0036	-0.0019	-0	0.001	0.0003	-0.0003	-0.7377	-4.7727	-2.5517	-3.7784	-1.127	0.9201	-2.5998	-0.0056	2.0007	0.8662	0.0549	0.7215	0.6018	-0.1545	0.9286	-34.7425	13.3406	-1.8219
88	0.001	-0.0007	-0.001	0	-0.0007	0.0008	0.0107	0.125	-1.9829	-0.5446	0.0821	0.9049	-1.6356	-1.6806	0.0804	0.7469	-0.044	-0.117	0.3804	0.0598	0.4435	-35.7417	-26.209	-48.2766
89	0.0009	-0.0004	0.0003	0.0001	-0.0001	0	-0.2712	-5.9647	1.4163	-1.7473	-0.2279	-1.7607	0.8597	1.3852	0.5486	0.8314	0.044	-0.4097	0.6655	0.0706	0.5682	5.0011	-49.8268	-52.5555
90	3.2269	-0.5755	1.2144	0.3546	-0.2719	4.2503	-1.2981	-0.4612	1.234	-0.141	0.1873	-0.8197	0.1864	1.3809	0.8084	0.3271	-0.1491	0.0312	0.7087	0.0172	0.9177	-10.6641	-1.7688	-21.88

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain B and resid -2:4)	B	-2 - 4
2	X-RAY DIFFRACTION	2	(chain B and resid 5:44)	B	5 - 44
3	X-RAY DIFFRACTION	3	(chain B and resid 45:53)	B	45 - 53
4	X-RAY DIFFRACTION	4	(chain B and resid 54:66)	B	54 - 66
5	X-RAY DIFFRACTION	5	(chain B and resid 67:78)	B	67 - 78
6	X-RAY DIFFRACTION	6	(chain B and resid 79:86)	B	79 - 86
7	X-RAY DIFFRACTION	7	(chain B and resid 87:92)	B	87 - 92
8	X-RAY DIFFRACTION	8	(chain B and resid 93:96)	B	93 - 96
9	X-RAY DIFFRACTION	9	(chain B and resid 97:121)	B	97 - 121
10	X-RAY DIFFRACTION	10	(chain B and resid 122:142)	B	122 - 142
11	X-RAY DIFFRACTION	11	(chain B and resid 143:176)	B	143 - 176
12	X-RAY DIFFRACTION	12	(chain B and resid 177:190)	B	177 - 190
13	X-RAY DIFFRACTION	13	(chain B and resid 191:200)	B	191 - 200
14	X-RAY DIFFRACTION	14	(chain B and resid 201:225)	B	201 - 225
15	X-RAY DIFFRACTION	15	(chain B and resid 226:234)	B	226 - 234
16	X-RAY DIFFRACTION	16	(chain B and resid 235:253)	B	235 - 253
17	X-RAY DIFFRACTION	17	(chain B and resid 254:258)	B	254 - 258
18	X-RAY DIFFRACTION	18	(chain B and resid 259:275)	B	259 - 275
19	X-RAY DIFFRACTION	19	(chain B and resid 276:305)	B	276 - 305
20	X-RAY DIFFRACTION	20	(chain B and resid 306:326)	B	306 - 326
21	X-RAY DIFFRACTION	21	(chain B and resid 327:339)	B	327 - 339
22	X-RAY DIFFRACTION	22	(chain A and resid 1:9)	A	1 - 9
23	X-RAY DIFFRACTION	23	(chain A and resid 10:44)	A	10 - 44
24	X-RAY DIFFRACTION	24	(chain A and resid 45:51)	A	45 - 51
25	X-RAY DIFFRACTION	25	(chain A and resid 52:67)	A	52 - 67
26	X-RAY DIFFRACTION	26	(chain A and resid 68:77)	A	68 - 77
27	X-RAY DIFFRACTION	27	(chain A and resid 78:90)	A	78 - 90
28	X-RAY DIFFRACTION	28	(chain A and resid 91:126)	A	91 - 126
29	X-RAY DIFFRACTION	29	(chain A and resid 127:151)	A	127 - 151
30	X-RAY DIFFRACTION	30	(chain A and resid 152:157)	A	152 - 157
31	X-RAY DIFFRACTION	31	(chain A and resid 158:175)	A	158 - 175
32	X-RAY DIFFRACTION	32	(chain A and resid 176:191)	A	176 - 191
33	X-RAY DIFFRACTION	33	(chain A and resid 192:201)	A	192 - 201
34	X-RAY DIFFRACTION	34	(chain A and resid 202:218)	A	202 - 218
35	X-RAY DIFFRACTION	35	(chain A and resid 219:228)	A	219 - 228
36	X-RAY DIFFRACTION	36	(chain A and resid 229:251)	A	229 - 251
37	X-RAY DIFFRACTION	37	(chain A and resid 252:256)	A	252 - 256
38	X-RAY DIFFRACTION	38	(chain A and resid 257:273)	A	257 - 273
39	X-RAY DIFFRACTION	39	(chain A and resid 274:305)	A	274 - 305
40	X-RAY DIFFRACTION	40	(chain A and resid 306:329)	A	306 - 329
41	X-RAY DIFFRACTION	41	(chain A and resid 330:339)	A	330 - 339
42	X-RAY DIFFRACTION	42	(chain C and resid 1:14)	C	1 - 14
43	X-RAY DIFFRACTION	43	(chain C and resid 15:44)	C	15 - 44
44	X-RAY DIFFRACTION	44	(chain C and resid 45:50)	C	45 - 50
45	X-RAY DIFFRACTION	45	(chain C and resid 51:66)	C	51 - 66
46	X-RAY DIFFRACTION	46	(chain C and resid 67:76)	C	67 - 76
47	X-RAY DIFFRACTION	47	(chain C and resid 77:84)	C	77 - 84
48	X-RAY DIFFRACTION	48	(chain C and resid 85:92)	C	85 - 92
49	X-RAY DIFFRACTION	49	(chain C and resid 93:145)	C	93 - 145
50	X-RAY DIFFRACTION	50	(chain C and resid 146:161)	C	146 - 161
51	X-RAY DIFFRACTION	51	(chain C and resid 162:173)	C	162 - 173
52	X-RAY DIFFRACTION	52	(chain C and resid 174:190)	C	174 - 190
53	X-RAY DIFFRACTION	53	(chain C and resid 191:201)	C	191 - 201
54	X-RAY DIFFRACTION	54	(chain C and resid 202:218)	C	202 - 218
55	X-RAY DIFFRACTION	55	(chain C and resid 219:236)	C	219 - 236
56	X-RAY DIFFRACTION	56	(chain C and resid 237:253)	C	237 - 253
57	X-RAY DIFFRACTION	57	(chain C and resid 254:258)	C	254 - 258
58	X-RAY DIFFRACTION	58	(chain C and resid 259:275)	C	259 - 275
59	X-RAY DIFFRACTION	59	(chain C and resid 276:305)	C	276 - 305
60	X-RAY DIFFRACTION	60	(chain C and resid 306:321)	C	306 - 321
61	X-RAY DIFFRACTION	61	(chain C and resid 322:339)	C	322 - 339
62	X-RAY DIFFRACTION	62	(chain D and resid 0:4)	D	0 - 4
63	X-RAY DIFFRACTION	63	(chain D and resid 5:44)	D	5 - 44
64	X-RAY DIFFRACTION	64	(chain D and resid 45:57)	D	45 - 57
65	X-RAY DIFFRACTION	65	(chain D and resid 58:86)	D	58 - 86
66	X-RAY DIFFRACTION	66	(chain D and resid 87:94)	D	87 - 94
67	X-RAY DIFFRACTION	67	(chain D and resid 95:145)	D	95 - 145
68	X-RAY DIFFRACTION	68	(chain D and resid 146:157)	D	146 - 157
69	X-RAY DIFFRACTION	69	(chain D and resid 158:176)	D	158 - 176
70	X-RAY DIFFRACTION	70	(chain D and resid 177:190)	D	177 - 190
71	X-RAY DIFFRACTION	71	(chain D and resid 191:200)	D	191 - 200
72	X-RAY DIFFRACTION	72	(chain D and resid 201:205)	D	201 - 205
73	X-RAY DIFFRACTION	73	(chain D and resid 206:219)	D	206 - 219
74	X-RAY DIFFRACTION	74	(chain D and resid 220:227)	D	220 - 227
75	X-RAY DIFFRACTION	75	(chain D and resid 228:233)	D	228 - 233
76	X-RAY DIFFRACTION	76	(chain D and resid 234:252)	D	234 - 252
77	X-RAY DIFFRACTION	77	(chain D and resid 253:259)	D	253 - 259
78	X-RAY DIFFRACTION	78	(chain D and resid 260:274)	D	260 - 274
79	X-RAY DIFFRACTION	79	(chain D and resid 275:304)	D	275 - 304
80	X-RAY DIFFRACTION	80	(chain D and resid 305:326)	D	305 - 326
81	X-RAY DIFFRACTION	81	(chain D and resid 327:339)	D	327 - 339
82	X-RAY DIFFRACTION	82	(chain A and resid 501)	A	501
83	X-RAY DIFFRACTION	83	(chain B and resid 501)	B	501
84	X-RAY DIFFRACTION	84	(chain C and resid 501)	C	501
85	X-RAY DIFFRACTION	85	(chain D and resid 501)	D	501
86	X-RAY DIFFRACTION	86	(chain S and resid 1)	A	1 - 343
87	X-RAY DIFFRACTION	87	(chain S and resid 2)	B	2 - 343
88	X-RAY DIFFRACTION	88	(chain S and resid 3)	C	3 - 345
89	X-RAY DIFFRACTION	89	(chain S and resid 4)	D	4 - 344
90	X-RAY DIFFRACTION	90	(chain E and resid 1:999)	E	1 - 999

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