PDB-8byw: Rut B structure

Basic information

• Entry: Database: PDB / ID: 8byw
• Title: Rut B structure
• Components: Ureidoacrylate amidohydrolase RutB
• Keywords: HYDROLASE
• Function / homology: Ureidoacrylate amidohydrolase RutB / ureidoacrylate amidohydrolase / uracil catabolic process / nitrogen utilization / Isochorismatase-like / Isochorismatase-like superfamily / Isochorismatase family / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides / Ureidoacrylate amidohydrolase RutB
• Biological species: Escherichia coli (E. coli)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.59 Å
• Authors: Rajendran, C. / Sterner, R. / Busch, M.

Funding support

Germany, 1items

Organization	Grant number	Country
German Research Foundation (DFG)		Germany

• Citation: Journal: Biochemistry / Year: 2023; Title: Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli .; Authors: Busch, M.R. / Rajendran, C. / Sterner, R.

History

Deposition	Dec 14, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 25, 2023	Provider: repository / Type: Initial release
Revision 1.1	Feb 15, 2023	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	Nov 15, 2023	Group: Data collection / Source and taxonomy / Category: chem_comp_atom / chem_comp_bond / entity_src_gen Item: _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id / _entity_src_gen.pdbx_gene_src_scientific_name

Assembly

Deposited unit

A: Ureidoacrylate amidohydrolase RutB

B: Ureidoacrylate amidohydrolase RutB

C: Ureidoacrylate amidohydrolase RutB

D: Ureidoacrylate amidohydrolase RutB

E: Ureidoacrylate amidohydrolase RutB

F: Ureidoacrylate amidohydrolase RutB

G: Ureidoacrylate amidohydrolase RutB

H: Ureidoacrylate amidohydrolase RutB

I: Ureidoacrylate amidohydrolase RutB

J: Ureidoacrylate amidohydrolase RutB

K: Ureidoacrylate amidohydrolase RutB

L: Ureidoacrylate amidohydrolase RutB

M: Ureidoacrylate amidohydrolase RutB

N: Ureidoacrylate amidohydrolase RutB

O: Ureidoacrylate amidohydrolase RutB

P: Ureidoacrylate amidohydrolase RutB

Summary:

• 404 kDa, 16 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	403,673	16
Polymers	403,673	16
Non-polymers	0	0
Water	55,919	3104

1

A: Ureidoacrylate amidohydrolase RutB

C: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	3700 Å2
ΔGint	-19 kcal/mol
Surface area	16150 Å2
Method	PISA

2

B: Ureidoacrylate amidohydrolase RutB

I: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	3660 Å2
ΔGint	-21 kcal/mol
Surface area	16080 Å2
Method	PISA

3

D: Ureidoacrylate amidohydrolase RutB

G: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	3680 Å2
ΔGint	-21 kcal/mol
Surface area	16110 Å2
Method	PISA

4

E: Ureidoacrylate amidohydrolase RutB

N: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_546	x,y-1,z+1	1

Calculated values:

Buried area	3700 Å2
ΔGint	-22 kcal/mol
Surface area	16050 Å2
Method	PISA

5

F: Ureidoacrylate amidohydrolase RutB

H: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_655	x+1,y,z	1

Calculated values:

Buried area	3670 Å2
ΔGint	-18 kcal/mol
Surface area	16150 Å2
Method	PISA

6

J: Ureidoacrylate amidohydrolase RutB

L: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_654	x+1,y,z-1	1

Calculated values:

Buried area	3680 Å2
ΔGint	-20 kcal/mol
Surface area	15950 Å2
Method	PISA

7

K: Ureidoacrylate amidohydrolase RutB

M: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_554	x,y,z-1	1

Calculated values:

Buried area	3670 Å2
ΔGint	-21 kcal/mol
Surface area	16220 Å2
Method	PISA

8

O: Ureidoacrylate amidohydrolase RutB

P: Ureidoacrylate amidohydrolase RutB

Summary:

• defined by author&software
• 50.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	50,459	2
Polymers	50,459	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_556	x,y,z+1	1

Calculated values:

Buried area	3670 Å2
ΔGint	-21 kcal/mol
Surface area	16220 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	69.562, 108.252, 123.744
Angle α, β, γ (deg.)	85.74, 83.33, 74.27
Int Tables number	1
Space group name H-M	P1

Components

#1: Protein

A B C D E F G H I J K L M N O P
Ureidoacrylate amidohydrolase RutB

Details:

Mass: 25229.562 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Gene: rutB, EcDH1_2631, ECDH1ME8569_0965 / Production host: Escherichia coli (E. coli) / References: UniProt: C9QZ65, ureidoacrylate amidohydrolase

#2: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 3104 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.2 ų/Da / Density % sol: 44.21 %
• Crystal grow: Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: PEG

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
• Detector: Type: DECTRIS PILATUS 300K / Detector: PIXEL / Date: Mar 15, 2019
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 1.59→48.71 Å / Num. obs: 447821 / % possible obs: 96.55 % / Redundancy: 3.5 % / CC_1/2: 0.995 / CC star: 0.999 / Net I/σ(I): 7.55
• Reflection shell: Resolution: 1.59→1.647 Å / Num. unique obs: 43730 / CC_1/2: 0.481

Processing

Software

Name	Version	Classification
PHENIX	1.18rc2	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.59→48.71 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 0.9 / Phase error: 25.41 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2329	43234	5 %
Rwork	0.2062	-	-
obs	0.2075	447821	92.48 %

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

Refinement step

Cycle: LAST / Resolution: 1.59→48.71 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	27429	0	0	3104	30533

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	28037
X-RAY DIFFRACTION	f_angle_d	0.852	38242
X-RAY DIFFRACTION	f_dihedral_angle_d	5.955	3744
X-RAY DIFFRACTION	f_chiral_restr	0.052	4256
X-RAY DIFFRACTION	f_plane_restr	0.006	5005

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.59-1.6	0.3707	1047	0.3496	20288	X-RAY DIFFRACTION	69
1.6-1.62	0.3433	1462	0.3382	27703	X-RAY DIFFRACTION	93
1.62-1.64	0.3587	1443	0.3286	27317	X-RAY DIFFRACTION	92
1.64-1.66	0.3303	1425	0.3158	27452	X-RAY DIFFRACTION	93
1.66-1.68	0.3172	1460	0.3024	27552	X-RAY DIFFRACTION	93
1.68-1.71	0.3224	1440	0.2992	27448	X-RAY DIFFRACTION	93
1.71-1.73	0.3124	1455	0.2924	27518	X-RAY DIFFRACTION	93
1.73-1.76	0.3233	1440	0.2857	27384	X-RAY DIFFRACTION	93
1.76-1.79	0.3064	1464	0.2759	27603	X-RAY DIFFRACTION	93
1.79-1.81	0.2904	1440	0.2592	27424	X-RAY DIFFRACTION	93
1.81-1.85	0.2715	1457	0.2604	27555	X-RAY DIFFRACTION	93
1.85-1.88	0.2855	1449	0.2523	27488	X-RAY DIFFRACTION	93
1.88-1.92	0.288	1452	0.2599	27577	X-RAY DIFFRACTION	93
1.92-1.95	0.2844	1449	0.2541	27326	X-RAY DIFFRACTION	93
1.95-2	0.2551	1451	0.2273	27689	X-RAY DIFFRACTION	93
2-2.04	0.2501	1456	0.2141	27687	X-RAY DIFFRACTION	93
2.04-2.09	0.2457	1447	0.2058	27699	X-RAY DIFFRACTION	94
2.09-2.15	0.2358	1461	0.1999	27780	X-RAY DIFFRACTION	94
2.15-2.21	0.243	1455	0.2029	27675	X-RAY DIFFRACTION	93
2.21-2.29	0.2397	1444	0.2098	27536	X-RAY DIFFRACTION	93
2.29-2.37	0.234	1453	0.1933	27682	X-RAY DIFFRACTION	93
2.37-2.46	0.2207	1460	0.1842	27786	X-RAY DIFFRACTION	94
2.46-2.57	0.2219	1470	0.1908	27935	X-RAY DIFFRACTION	94
2.57-2.71	0.2314	1460	0.1918	27758	X-RAY DIFFRACTION	94
2.71-2.88	0.215	1482	0.1946	28084	X-RAY DIFFRACTION	95
2.88-3.1	0.2217	1464	0.1861	27950	X-RAY DIFFRACTION	94
3.1-3.41	0.2129	1452	0.1846	27827	X-RAY DIFFRACTION	94
3.41-3.91	0.1914	1450	0.1712	27289	X-RAY DIFFRACTION	92
3.91-4.92	0.1754	1477	0.1581	27981	X-RAY DIFFRACTION	94
4.92-48.71	0.1961	1469	0.1889	28089	X-RAY DIFFRACTION	95

Refinement TLS params.

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

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.2942	-0.0873	0.5953	0.9883	-0.3225	1.2878	-0.0163	-0.0161	-0.1314	-0.0782	0.0228	-0.0589	0.1243	0.016	-0.005	0.1401	0.0122	0.0397	0.1444	-0.0194	0.1488	29.5441	-14.0412	16.4848
2	0.9976	-0.576	0.0053	1.1718	0.2388	0.4715	0.0308	0.0954	0.0031	-0.1519	-0.0165	-0.0368	0.0371	0.0165	0.0189	0.1748	-0.0031	0.0063	0.1633	0.0018	0.1457	23.7806	-9.0558	11.2419
3	0.6735	-0.3847	0.2012	1.4304	-0.0011	1.0499	-0.027	0.0547	0.0032	-0.0605	-0.026	0.0854	0.0232	-0.0433	0.0435	0.1407	-0.0237	-0.0036	0.1667	0.0024	0.1187	19.5062	-1.4653	8.3131
4	0.9538	0.2384	0.1739	0.8774	0.142	0.1785	-0.0072	0.0074	-0.06	0.0013	-0.0176	0.0236	0.075	-0.0146	0.028	0.1614	-0.0029	0.0095	0.1398	-0.0122	0.1444	20.5656	-12.8856	22.3583
5	0.4328	-0.212	0.0581	0.7545	-0.1332	0.4788	-0.0503	0.0004	-0.0018	-0.0267	0.0068	-0.1267	0.0108	0.0782	0.0571	0.1084	-0.0064	0.0048	0.1362	-0.0129	0.1541	32.441	-8.8326	23.8774
6	1.5947	-0.2143	-0.2436	2.8349	1.1855	3.1776	0.0008	0.1463	-0.2846	-0.0775	0.013	-0.1846	0.4312	0.2627	0.0482	0.1877	0.0343	-0.0014	0.1508	-0.0146	0.2168	36.0974	-22.2247	19.739
7	1.1108	-0.8255	0.8486	0.9852	-0.6117	0.7317	0.0378	0.1592	-0.0217	-0.1285	-0.0908	-0.1887	0.0278	0.1016	0.0107	0.1641	0.0088	0.0138	0.1848	0.0103	0.1919	51.5689	-63.3442	19.7575
8	1.2201	-0.4477	0.1527	1.1048	-0.0546	0.2816	0.0862	0.2341	0.0044	-0.1535	-0.0943	-0.0354	0.0164	0.0294	-0.0228	0.1786	0.0093	0.0073	0.215	0.0265	0.1373	45.2594	-59.0358	14.5531
9	0.1908	-0.1324	0.1537	0.1544	-0.2243	2.3769	0.0224	0.0635	0.1167	0.0994	-0.0567	-0.0036	-0.345	0.4218	0.0489	0.2276	-0.019	-0.0316	0.2037	0.0268	0.1859	39.3023	-41.2799	17.7388
10	0.4553	-0.5737	0.1749	1.872	-0.5732	0.8005	0.018	0.1036	-0.0424	-0.1976	-0.0207	0.0856	0.133	0.012	0.0008	0.1947	-0.0017	0.0076	0.2045	0.0062	0.1341	40.4383	-56.8746	8.9754
11	0.6891	-0.1775	0.1621	1.0795	0.1648	0.1144	-0.0034	0.0205	-0.0852	0.0391	-0.0226	-0.0292	0.0401	0.0135	0.0612	0.1475	-0.0035	0.0138	0.1735	0.0103	0.1604	42.5554	-63.3481	25.616
12	0.7156	-0.4139	0.2033	0.7975	0.0843	0.7394	-0.0347	-0.0166	0.0881	0.0186	-0.0535	-0.1437	-0.0338	0.1813	0.1018	0.1205	-0.0174	-0.0064	0.1662	0.0375	0.1792	53.8179	-57.8208	27.1211
13	2.0991	-0.6016	-0.6114	3.122	1.7586	3.9298	-0.0515	0.1198	-0.1897	0.0792	0.0964	-0.2972	0.4679	0.4043	-0.042	0.151	0.0085	0.0029	0.1749	0.0011	0.2559	59.1196	-70.5852	22.945
14	0.6071	0.0625	0.2692	1.8052	-0.8558	1.4422	0.0308	-0.0591	0.0316	0.237	-0.0327	-0.1513	-0.0927	0.1301	0.0134	0.1542	-0.003	-0.0448	0.1509	-0.0278	0.1809	28.6449	8.3852	37.4999
15	0.646	0.0593	-0.2008	1.7926	0.0112	0.8998	-0.0073	-0.1007	0.0417	0.2939	-0.024	-0.1893	-0.0428	0.0706	0.0331	0.1585	-0.0168	-0.0506	0.1758	-0.0051	0.1687	29.8713	2.0179	44.1178
16	0.6703	0.8148	1.1787	1.4539	0.7975	3.2718	-0.1294	0.0353	-0.1727	0.2631	0.1015	-0.2379	0.1683	0.3569	-0.0046	0.2093	0.0389	-0.0359	0.2132	0.0152	0.1783	35.6077	-15.7486	40.6074
17	0.44	0.3247	-0.1184	1.9746	-0.2091	1.1974	0.1296	-0.2991	-0.1903	0.5076	-0.2315	-0.282	0.0703	0.1932	0.1109	0.3171	-0.0259	-0.1408	0.2906	0.0233	0.2459	35.3208	-7.5122	51.4717
18	0.8449	-0.1332	0.0415	1.6877	0.5045	0.9943	0.034	-0.3313	0.1697	0.6915	-0.131	0.054	0.0797	-0.0514	0.0886	0.2528	-0.0208	-0.0229	0.2201	-0.0529	0.1821	24.5758	6.4473	49.6921
19	0.9166	0.0199	-0.2402	1.217	0.0693	0.6039	-0.0038	0.0331	0.0121	0.0647	-0.0502	0.0364	-0.0641	-0.0462	0.0379	0.1331	-0.0164	-0.0087	0.1319	-0.0084	0.1306	20.2076	1.7664	36.7188
20	0.2522	-0.2215	0.3206	0.6013	0.133	0.4577	-0.0675	0.0406	0.065	0.0033	0.0531	-0.1165	-0.062	0.0884	0.0531	0.1208	-0.0222	-0.0007	0.1516	-0.0033	0.1656	29.839	4.3278	29.0181
21	1.2963	-0.79	-0.3841	2.083	1.2624	2.2967	-0.1545	-0.0272	0.2908	-0.1153	0.0611	-0.0336	-0.3543	0.1149	0.1005	0.2579	-0.0023	-0.0399	0.1293	-0.0108	0.2312	27.2641	18.1112	32.558
22	1.0306	-0.0072	0.2426	1.196	0.4131	1.0866	-0.0279	-0.0816	-0.1668	0.0421	0.0755	-0.0376	0.0985	0.0992	-0.0336	0.1898	-0.0001	0.0026	0.1174	0.0401	0.1422	26.1495	-75.2411	50.2669
23	0.6803	-0.1236	0.1778	1.4646	-0.2339	0.8652	-0.048	-0.1474	-0.0362	0.1892	0.0514	0.0468	0.0544	0.0252	0.0127	0.1715	0.0251	-0.001	0.1599	0.0061	0.118	27.1007	-67.683	55.52
24	0.5918	-0.259	0.0579	1.0399	-0.2276	0.787	-0.0524	-0.1424	0.0418	0.1099	0.0214	-0.0324	-0.0025	0.0349	0.0503	0.1811	0.0177	-0.0169	0.1787	-0.012	0.1192	25.2194	-59.1612	58.3889
25	1.1023	-0.3142	0.1436	0.767	0.0157	0.21	-0.0061	0.0436	-0.0404	0.0071	-0.0177	-0.1053	0.0689	0.0275	0.0562	0.1627	0.0027	-0.0023	0.1291	0.0161	0.1336	31.9539	-68.3139	44.3963
26	0.8511	0.2132	-0.0847	0.8526	0.0452	1.316	-0.0403	-0.0646	-0.1543	0.0157	0.0186	0.0417	0.2385	-0.0516	0.0055	0.1588	-0.0174	-0.0023	0.1167	0.0149	0.1698	22.185	-76.7124	44.0217
27	0.898	-0.2864	-0.3197	0.9209	0.2148	1.1256	-0.0231	-0.0195	0.121	-0.0064	0.0296	0.0663	-0.0808	0.0112	0.0284	0.1618	0.0282	-0.0254	0.1535	0.0088	0.1558	33.1217	-82.2674	81.4582
28	0.8508	-0.4403	-0.1107	1.2293	0.0414	0.5241	-0.0257	0.0691	0.0065	-0.0726	0.0064	0.0517	-0.0359	-0.0388	0.0309	0.1746	0.0201	-0.0085	0.1605	0.0022	0.1188	37.5716	-87.7195	75.472
29	0.6774	-0.3773	0.3144	0.2458	0.1702	2.6709	0.0483	-0.1109	-0.2103	0.0182	-0.013	0.0351	0.2449	-0.3096	0.0765	0.2606	0.0112	0.014	0.1946	0.0055	0.1663	42.0482	-105.8243	79.1196
30	0.548	-0.2121	0.1849	1.7196	0.2544	0.7963	-0.0436	0.1094	-0.0046	-0.232	0.047	-0.0708	-0.061	0.0783	-0.0165	0.1935	-0.0029	-0.0022	0.1633	0.0044	0.1275	40.7751	-90.9457	69.28
31	0.8558	0.4275	-0.1426	0.9092	-0.2069	0.2312	0.0035	-0.0232	0.0269	0.0539	-0.0581	-0.075	-0.0507	-0.006	0.0583	0.1694	0.024	-0.0171	0.1608	0.005	0.1289	43.1815	-83.0403	85.1809
32	0.8987	-0.3632	0.1509	0.7299	0.023	0.8949	-0.0865	-0.0818	-0.0142	0.0615	0.0024	0.1323	0.038	-0.0866	0.0593	0.1554	0.0274	0.0276	0.1635	0.0101	0.1595	32.039	-86.7952	89.7478
33	1.899	-0.5625	0.432	2.3179	-0.7284	2.3297	-0.1679	-0.0314	0.2511	0.0775	0.1108	0.1456	-0.5866	-0.3389	0.04	0.2001	0.0535	-0.0099	0.1487	-0.0144	0.2047	27.4075	-73.7519	85.3937
34	1.027	-0.5504	-0.4751	0.8064	0.6691	1.7014	0.0554	0.1661	-0.0514	-0.1258	-0.0969	0.163	-0.1072	-0.2726	0.0115	0.1316	0.015	-0.0547	0.2203	-0.0292	0.2546	60.3609	-3.5493	25.5148
35	1.359	-0.4876	0.0807	0.8709	0.1501	1.0763	-0.002	0.1664	-0.0514	-0.1355	-0.1118	0.2244	0.0102	-0.2849	0.0509	0.1444	-0.0131	-0.0295	0.2268	-0.0559	0.2033	63.0579	-9.6718	19.0658
36	0.5178	-0.1248	0.6428	0.2523	0.32	2.0217	-0.1913	0.1149	-0.3801	-0.1726	0.12	0.0176	0.1954	-0.2838	-0.0095	0.1849	-0.0755	0.0173	0.1984	-0.0573	0.2614	68.1965	-27.3959	22.9717
37	1.4438	0.0288	-0.0753	1.3286	0.2556	0.9274	-0.0609	0.3619	-0.1028	-0.4403	-0.0792	0.2081	0.0121	-0.219	0.0789	0.2133	-0.0141	-0.065	0.3128	-0.072	0.2172	64.3968	-13.46	12.5016
38	0.4623	0.2538	-0.3222	0.9993	-0.1376	0.4277	-0.0174	-0.0141	0.0691	0.0177	-0.0272	0.0688	-0.088	-0.062	0.0278	0.1204	-0.007	-0.0097	0.1649	-0.0209	0.1722	71.0391	-4.2502	26.4909
39	0.4549	0.1272	-0.0829	0.9288	0.1376	0.7546	-0.0155	0.0096	-0.0251	-0.0367	-0.0695	0.2909	-0.0406	-0.2832	0.0503	0.107	-0.0136	0.0115	0.1873	-0.0352	0.2177	61.5712	-7.4268	34.1483
40	1.8815	-0.6701	1.1949	1.4815	-0.8058	2.691	-0.2507	0.0084	0.3286	-0.2542	-0.0192	0.1519	-0.6823	-0.3927	0.1373	0.2897	0.0923	-0.0883	0.2276	-0.0705	0.3291	56.049	5.216	30.0761
41	1.0805	-0.5213	-0.3078	1.2419	0.8006	1.3036	0.0476	0.1324	-0.0638	-0.1239	-0.0619	0.2345	0.0125	-0.1075	0.0468	0.187	-0.0052	-0.0692	0.1602	-0.0014	0.2015	11.6838	-58.0007	29.2832
42	1.5537	-0.6611	-0.0384	1.1738	-0.0053	0.9329	0.005	0.1993	-0.1038	-0.2382	-0.0175	0.1994	0.004	-0.1042	0.0282	0.1899	-0.0227	-0.0528	0.1867	-0.0106	0.1745	15.033	-63.5743	22.668
43	1.3955	-0.3495	0.0531	1.1118	-0.0229	1.0568	0.0516	0.2861	-0.1551	-0.3668	-0.1047	0.1767	0.1201	-0.0462	0.0712	0.2504	-0.0061	-0.0545	0.2077	-0.0552	0.1868	18.5728	-71.2891	19.2055
44	0.6515	-0.123	-0.2366	1.112	-0.473	0.8898	0.0067	0.0939	0.0337	-0.038	-0.0367	-0.0119	-0.0434	-0.011	0.023	0.1434	-0.002	-0.0222	0.1358	-0.0014	0.1402	22.4127	-57.3181	30.0319
45	0.8493	-0.2624	0.5662	0.8488	0.1146	0.6411	-0.023	-0.0846	-0.043	-0.0572	0.0127	0.1316	-0.0015	-0.1128	0.0465	0.1236	-0.0183	-0.0021	0.1374	0.0007	0.1532	13.5585	-61.8263	37.7557
46	1.131	-0.2182	-0.0057	2.0215	-0.4375	1.2334	-0.321	-0.148	0.3428	0.0756	0.1787	0.1929	-0.4371	-0.3935	0.0875	0.1951	0.0242	-0.0689	0.1781	0.0168	0.2286	6.2477	-49.9146	34.1162
47	0.6526	0.2713	0.1352	1.2856	0.3148	0.9984	-0.0005	-0.0491	-0.1591	0.1163	0.0048	0.1529	0.0106	-0.0413	-0.0501	0.1744	-0.0282	0.0232	0.1339	0.0215	0.1661	2.6651	-22.2806	46.9754
48	0.9597	0.2409	0.0047	1.4848	0.2402	0.2484	0.0094	-0.1559	0.0148	0.2544	0.0165	0.0527	0.0526	-0.0481	-0.0217	0.1944	-0.0318	0.0296	0.2128	-0.0113	0.1229	4.4477	-14.808	52.1619
49	0.1641	-0.2006	0.3627	0.4241	0.0237	1.5765	0.0775	-0.1344	0.0733	-0.0183	-0.071	0.1353	-0.0751	-0.2183	0.0392	0.1866	0.0092	0.0065	0.2174	-0.0356	0.1846	-3.0896	2.2458	48.9913
50	0.4919	-0.7888	-0.3916	1.3449	0.6652	0.4735	-0.1	-0.1523	0.001	0.2194	0.1365	-0.0831	0.1744	0.1473	-0.0065	0.2324	0.0261	0.0111	0.1996	-0.0029	0.1439	6.5618	-9.9984	57.7418
51	0.8584	-0.2097	0.0227	0.8689	-0.1503	0.462	0.0103	0.0149	-0.0328	0.0304	-0.05	0.0276	-0.0134	-0.0121	0.0218	0.1536	-0.0086	0.0219	0.1373	-0.0057	0.1549	9.3427	-16.2606	41.121
52	0.5736	0.0513	0.4697	0.7066	-0.062	0.618	-0.0412	-0.0572	-0.0322	0.033	0.0039	0.1283	0.0828	-0.142	0.0434	0.1132	-0.046	0.0427	0.149	-0.0095	0.1884	-2.7144	-19.6807	39.5502
53	1.8469	-0.3433	0.7813	2.911	-1.9362	4.3063	0.0778	-0.0332	-0.4041	-0.0647	0.0395	0.0701	0.7871	0.0063	-0.1819	0.227	-0.0006	0.0251	0.1674	0.0134	0.2794	1.9725	-32.6859	43.9016
54	0.5241	0.1047	0.0212	1.1707	-0.5369	1.5379	0.0223	-0.0212	0.0205	0.1694	-0.0132	-0.0278	-0.206	0.0787	-0.0419	0.195	-0.0484	-0.0586	0.1752	-0.0033	0.2293	47.9272	-41.4901	41.0496
55	0.7246	0.1667	0.2953	1.5988	-0.1542	1.0937	-0.0835	-0.0708	0.1188	0.2175	-0.0402	-0.3015	-0.2212	0.2039	0.0748	0.2333	-0.0488	-0.0653	0.2041	0.0242	0.2279	50.0647	-47.8034	47.5094
56	0.3278	-0.0258	0.7184	0.5986	0.1262	1.805	0.0624	-0.0193	-0.2139	-0.0238	-0.0589	-0.3872	0.0722	0.3733	-0.0077	0.1473	0.008	-0.0302	0.2647	0.0753	0.2629	57.9893	-64.5129	43.6726
57	0.601	0.025	-0.2669	1.5785	-0.2476	1.2315	-0.1367	-0.4506	-0.023	0.397	0.0572	-0.2756	0.0894	0.4283	0.0609	0.2474	-0.0403	-0.102	0.3618	0.0544	0.2679	56.6926	-56.6466	54.6491
58	1.6162	0.228	0.5299	1.2967	0.2318	1.0417	0.0414	-0.4267	0.1733	0.6925	-0.0748	-0.1473	-0.1647	-0.0278	0.0303	0.3007	-0.0277	-0.0797	0.2141	-0.047	0.2338	44.3366	-44.0437	53.1898
59	0.8005	-0.3915	-0.3868	0.2746	-0.1441	0.3422	-0.0564	-0.0083	0.1057	0.0425	-0.0212	0.0241	-0.1582	0.002	0.0594	0.1509	-0.0268	-0.0341	0.1429	0.0109	0.1772	40.4221	-49.1334	40.1719
60	0.5954	-0.2118	0.1085	0.5644	-0.2052	0.4791	-0.0218	0.0261	0.1646	0.1447	-0.091	-0.185	-0.1551	0.167	0.02	0.1444	-0.0463	-0.0232	0.1581	0.0429	0.2264	49.5908	-45.2022	32.4266
61	1.4639	0.214	0.241	3.0194	1.6655	3.2082	-0.2461	-0.1386	0.4442	-0.1012	-0.2169	0.2694	-0.8754	-0.0986	0.1135	0.3213	-0.0143	-0.1248	0.1457	0.0046	0.3298	45.3278	-31.932	36.3982
62	0.5738	-0.1105	-0.0656	0.9879	-0.6526	0.9877	0.0576	-0.0747	0.0765	0.0752	-0.0678	-0.0805	-0.0641	0.0928	-0.0492	0.185	-0.0168	-0.0398	0.1738	-0.0123	0.1768	51.7381	-77.0774	-18.6459
63	0.7424	-0.0136	-0.1087	1.3649	-0.4306	0.3976	-0.0187	-0.1322	0.0611	0.1828	-0.0084	-0.1277	-0.0779	0.1	0.0125	0.2165	0.0009	-0.0468	0.2484	-0.0015	0.166	51.3413	-84.0013	-12.5309
64	0.3838	-0.1825	0.5228	0.8221	-0.6961	0.7249	-0.0365	-0.1149	0.0284	0.0277	-0.0037	0.0081	-0.0689	0.0665	0.0248	0.2082	0.0159	-0.0279	0.235	0.0034	0.1432	52.9731	-92.3836	-9.1971
65	1.0974	-0.3303	-0.2615	1.289	0.0872	0.2645	0.0048	-0.0133	0.052	0.0571	-0.0562	0.0721	-0.035	0.0558	0.0525	0.1707	0.0113	-0.0291	0.1708	0.0027	0.1439	43.9999	-83.568	-22.2569
66	0.3804	0.0407	0.019	0.7776	-0.0673	0.9741	-0.0108	0.0264	0.0045	-0.0087	-0.051	-0.1629	-0.0307	0.2148	0.0399	0.1605	-0.0023	-0.013	0.2178	0.0279	0.1969	55.2899	-80.3573	-26.8011
67	1.7811	-0.3348	-0.2537	3.2799	1.8798	3.8064	-0.0333	-0.1162	0.4211	0.153	0.003	-0.1233	-0.6578	0.1002	0.0377	0.2886	-0.0002	-0.0179	0.1701	-0.0087	0.2679	51.5373	-66.9762	-22.7707
68	0.7565	-0.213	-0.1349	0.9523	-0.3364	0.9692	0.0483	0.051	0.1343	-0.0757	-0.048	0.0503	-0.1294	-0.0529	-0.0044	0.2453	0.0286	-0.0319	0.1402	-0.0287	0.1813	29.0809	-23.9217	-14.6405
69	0.4272	-0.1992	-0.0307	1.1641	-0.1384	0.6293	-0.0247	-0.0966	0.0343	0.0347	0.0089	-0.0351	-0.0244	0.0037	0.0046	0.2129	0.0231	-0.0129	0.1569	-0.0213	0.1459	29.4637	-30.9955	-8.7068
70	0.8796	-0.3925	0.0872	1.2609	-0.0201	0.7118	0.0105	-0.0983	-0.0088	-0.0414	-0.0319	-0.01	-0.0302	-0.0131	0.0235	0.1867	0.0177	-0.0043	0.1683	0.0001	0.1068	32.0938	-39.2181	-5.6221
71	1.4047	-0.0336	-0.3156	1.0162	0.1585	0.1346	-0.0407	-0.0513	0.0667	-0.0722	-0.0374	0.1278	-0.133	-0.0608	0.098	0.2198	0.0269	-0.0251	0.1382	-0.0237	0.1244	22.142	-31.2511	-18.409
72	0.8902	0.0479	0.3394	1.1601	-0.3734	1.0792	-0.0338	0.032	0.1542	-0.1145	-0.0477	-0.1041	-0.1541	0.0196	0.0364	0.2367	0.0232	0.003	0.1348	-0.0016	0.1759	31.4564	-23.0074	-21.7576
73	1.2048	-0.7418	0.6717	0.7527	-0.4831	1.5531	0.129	0.2396	0.0433	-0.1956	-0.1626	-0.0858	0.2538	0.3484	-0.0185	0.243	0.0808	0.058	0.3049	0.0467	0.2024	3.5345	-92.1145	82.3774
74	0.979	-0.4978	-0.1901	0.8844	-0.0356	1.0094	-0.0115	0.1173	0.0734	-0.2284	-0.0659	-0.1807	0.1695	0.2578	0.0166	0.2468	0.0705	0.0275	0.2913	0.0472	0.1939	-0.5632	-86.6103	76.1951
75	0.5897	-0.235	-0.4342	0.1789	-0.035	2.1606	-0.0085	-0.0039	0.6029	-0.1927	0.0565	-0.0331	-0.2257	0.3441	-0.0577	0.226	-0.0313	-0.0225	0.2478	0.089	0.266	-5.044	-68.5603	79.5311
76	1.4592	-0.0192	-0.038	1.4472	-0.0387	0.9343	-0.0404	0.4008	0.0537	-0.4948	-0.0474	-0.0252	0.0834	0.1439	0.029	0.251	0.0487	0.055	0.3526	0.076	0.1736	-3.3978	-83.4159	69.8148
77	0.926	0.3603	0.1669	0.7506	-0.0147	0.5502	-0.0222	-0.0269	-0.0775	-0.0224	0.0117	-0.0827	0.2143	0.171	0.0177	0.1697	0.048	0.0147	0.1918	0.0211	0.143	-6.6733	-91.3605	85.6437
78	0.5928	0.1215	-0.2888	0.6786	-0.4169	0.6915	0.0245	0.108	0.0101	-0.0538	-0.0617	-0.251	0.0776	0.3273	0.0164	0.1484	0.0362	0.0094	0.2463	0.0304	0.1902	4.2398	-87.5115	90.6576
79	1.8506	-0.5671	-0.7548	2.2365	0.8603	2.1898	0.0272	0.0095	-0.2199	0.1136	-0.2995	-0.3455	0.7949	0.5297	0.0159	0.3985	0.271	0.0644	0.2848	0.1234	0.2802	9.1226	-100.5245	86.6412
80	1.3865	-0.6733	0.497	1.0576	-0.7035	1.4232	0.1338	0.3346	0.0346	-0.2908	-0.1135	-0.1402	-0.0097	0.1062	-0.0615	0.2972	0.0343	0.0562	0.2137	0.0063	0.1727	52.8528	-37.5062	85.9104
81	1.5526	-0.9897	0.0656	1.0148	0.3079	0.7487	0.1139	0.2839	0.1227	-0.3842	-0.1198	-0.1615	-0.0478	0.1722	0.0453	0.3542	0.0191	0.0541	0.2838	0.025	0.1737	47.9629	-32.4756	79.7922
82	1.4281	-0.3775	0.2066	0.4764	0.067	0.8835	0.0356	0.3207	0.138	-0.3964	-0.1355	-0.1491	-0.1209	0.001	0.0619	0.4206	0.0515	0.0434	0.2797	0.0558	0.1514	43.4353	-24.9135	76.731
83	1.2431	0.1811	0.0922	1.2749	0.2507	0.6492	0.0671	0.1595	-0.0605	-0.1404	-0.0507	0.0513	0.0685	0.0456	-0.0144	0.2651	0.0333	0.0015	0.1918	-0.0116	0.1229	42.5982	-38.0943	89.2029
84	0.5533	-0.1595	-0.113	0.9516	0.1511	1.0407	-0.0167	-0.0068	0.0428	-0.193	-0.0357	-0.1836	-0.0624	0.1935	0.0511	0.231	0.0186	0.0326	0.1891	0.0108	0.1762	52.9469	-32.9382	94.2536
85	0.918	-0.1622	0.0587	2.3566	0.8834	1.322	-0.0438	0.1579	-0.1759	-0.2592	-0.0088	-0.1318	0.3013	0.3527	0.0878	0.3163	0.0738	0.0532	0.2379	-0.0192	0.226	59.3581	-45.1223	90.0054
86	0.6346	0.5019	-0.1545	1.3659	0.7286	1.3031	-0.0023	-0.1806	-0.0884	0.4446	0.0696	0.2359	0.1153	0.0003	-0.1001	0.2757	0.0428	0.0605	0.2373	0.0612	0.1833	54.0351	-4.1284	-19.1783
87	0.8353	0.2005	0.2057	2.1842	-0.2033	0.9904	-0.0546	-0.2694	-0.0485	0.4955	0.0421	0.2079	0.0949	-0.1053	0.0233	0.2642	0.0203	0.0543	0.2952	0.0186	0.1509	54.278	2.8794	-13.0455
88	0.4593	0.4804	-0.3911	0.8958	-0.7637	1.5493	-0.119	-0.1187	0.3512	0.1522	0.1457	0.3422	-0.1113	-0.2957	-0.0616	0.2792	0.0589	0.0252	0.2952	-0.0426	0.228	47.5824	20.1106	-16.5804
89	0.9941	-0.0666	0.1701	2.6071	0.1017	0.8911	0.0692	-0.4784	0.2556	0.4895	-0.0281	0.3627	-0.0852	-0.1587	0.0588	0.4155	0.0615	0.1264	0.3543	-0.007	0.249	50.5288	12.963	-5.4878
90	0.8841	-0.3054	0.2799	1.5431	-0.3445	0.4811	0.0921	-0.337	-0.1877	0.3513	-0.1414	-0.0868	0.1559	0.3321	-0.0523	0.3248	0.0441	-0.0037	0.2909	0.0615	0.2065	61.2869	-1.0041	-8.6756
91	1.1376	-0.2709	0.3896	0.9946	-0.1633	0.4813	0.0228	-0.0909	-0.0272	0.1401	-0.03	-0.0841	0.0704	0.0932	-0.0056	0.1874	0.0212	0.0096	0.1778	0.013	0.1141	62.0083	2.3674	-22.4494
92	0.5734	0.1182	-0.2455	0.9946	-0.192	0.9977	-0.0702	-0.1161	-0.095	0.1108	0.0388	0.1815	0.1286	-0.1058	0.0445	0.1803	0.0117	0.0267	0.1711	0.0133	0.1616	50.8829	-0.7628	-27.5658
93	1.4548	-1.0211	0.5598	1.9586	-0.8838	1.9752	0.0365	-0.1101	-0.3819	-0.1522	-0.0434	0.1356	0.5104	0.0991	0.0089	0.2905	0.0293	0.0358	0.2126	0.0655	0.2392	54.2938	-14.0625	-23.3877
94	0.5644	-0.4225	-0.3997	1.086	0.7143	0.8291	0.0136	0.136	-0.031	-0.1603	-0.029	0.2904	-0.0456	-0.1	0.0057	0.2526	0.0457	-0.0574	0.2111	-0.0332	0.2191	11.9265	-32.7007	85.364
95	1.2127	-0.1436	-0.279	0.9481	0.212	0.2471	-0.0097	0.163	-0.0104	-0.1853	-0.0228	0.1164	0.0229	-0.1188	0.0236	0.2928	0.0312	-0.0613	0.2446	-0.0508	0.1615	16.9329	-37.5167	79.2467
96	0.3646	0.1112	0.086	0.8185	0.8236	0.5724	-0.0731	0.0384	0.0291	-0.0803	0.031	0.0593	-0.0691	-0.0466	0.0509	0.2939	0.0341	-0.0475	0.2278	-0.043	0.1569	21.3492	-44.8236	75.9124
97	0.7193	0.1634	-0.2516	1.3973	-0.2679	0.2331	0.0076	0.0703	0.0929	0.0736	-0.0585	0.0332	-0.0126	-0.04	0.0306	0.256	0.0345	-0.0472	0.1688	-0.0393	0.161	22.0003	-32.313	88.9573
98	0.5348	-0.155	-0.1162	0.6547	-0.0935	1.1894	-0.0451	-0.0605	-0.0681	-0.0149	-0.0355	0.1947	0.079	-0.2041	0.1046	0.2269	0.0094	-0.0015	0.1837	-0.045	0.2424	11.4975	-37.5576	93.5071
99	2.0172	-0.6327	1.199	2.279	-1.6303	3.2005	-0.0961	-0.0024	0.3379	-0.0758	-0.0665	0.3099	-0.5258	-0.3205	0.0247	0.3126	0.081	-0.0615	0.2283	-0.0406	0.3223	5.2713	-25.1297	89.5272
100	0.5931	0.3239	0.0083	1.4503	0.8543	1.2477	-0.045	-0.0755	-0.0165	0.408	0.0313	0.1565	0.3122	-0.0453	-0.0257	0.3284	0.0053	0.071	0.2212	0.0241	0.2122	6.2161	-58.18	-15.6688
101	0.5782	-0.0757	0.0435	1.6875	0.0969	0.9109	-0.1003	-0.2201	-0.0377	0.4475	0.0234	0.2502	0.2415	-0.1797	0.0539	0.3502	-0.0134	0.0791	0.2618	-0.0204	0.2001	5.511	-51.332	-9.4596
102	0.0955	0.0492	0.2376	0.8275	-0.3973	1.925	-0.0162	-0.3601	0.2354	0.0663	-0.0023	0.3082	0.1699	-0.1233	-0.1011	0.253	0.0187	0.0225	0.2655	-0.0819	0.2545	-3.3158	-34.9853	-12.8115
103	0.8586	0.1675	0.3206	1.5254	0.006	1.1313	-0.2572	-0.4867	0.2839	0.9145	0.0219	0.284	0.045	-0.3569	0.06	0.406	-0.0265	0.1681	0.3842	-0.0894	0.2561	0.6155	-41.8552	-1.6956
104	0.9035	-0.1157	-0.0133	1.4967	-0.5999	1.0943	0.0623	-0.255	-0.1865	0.5796	-0.1403	0.0498	0.5312	0.0727	0.0131	0.4442	-0.0272	0.0566	0.285	0.0228	0.2081	12.471	-54.6138	-4.9576
105	2.2992	-1.2619	-0.1281	1.5721	0.5783	0.2931	-0.1019	0.0086	0.0362	0.1108	0.0223	-0.0291	0.148	-0.0117	0.0644	0.2333	0.021	0.014	0.1736	-0.0147	0.1551	16.055	-47.0332	-18.3681
106	0.2095	-0.3987	0.2501	1.1391	-0.105	0.5459	-0.1241	0.2617	-0.2481	0.1218	-0.0581	0.0621	0.4279	-0.0158	0.1011	0.3474	0.0185	0.0204	0.208	-0.0282	0.214	9.1775	-56.0226	-19.6642
107	0.7369	-0.2226	0.1939	0.9154	-0.1529	0.8652	0.0167	-0.0866	-0.089	0.1321	-0.028	0.1747	0.1387	-0.1121	-0.0276	0.2468	-0.0096	0.0154	0.175	-0.0442	0.1871	2.6144	-55.2168	-23.9697
108	1.0807	0.0398	0.0135	1.7442	-1.1665	2.363	-0.0945	0.0252	-0.3798	-0.1731	-0.1224	-0.1198	0.9475	0.0089	0.0225	0.511	0.0309	0.0886	0.1447	-0.005	0.3071	7.8389	-68.1469	-19.9391

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 3 through 38 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 39 through 86 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 87 through 133 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 134 through 165 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 166 through 207 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 208 through 223 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 3 through 38 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 39 through 86 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 87 through 100 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 101 through 133 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 134 through 165 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 166 through 207 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 208 through 223 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 3 through 38 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 39 through 86 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 87 through 100 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 101 through 119 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 120 through 133 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 134 through 165 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 166 through 207 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 208 through 223 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 3 through 38 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 39 through 86 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 87 through 133 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 134 through 165 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 166 through 223 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 3 through 38 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 39 through 86 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 87 through 100 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 101 through 133 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 134 through 165 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 166 through 207 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 208 through 223 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 3 through 38 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 39 through 86 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 87 through 100 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 101 through 133 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 134 through 165 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 166 through 207 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 208 through 223 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 3 through 38 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 39 through 86 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 87 through 133 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 134 through 165 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 166 through 207 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 208 through 223 )
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 3 through 38 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 39 through 86 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 87 through 100 )
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 101 through 133 )
51	X-RAY DIFFRACTION	51	chain 'H' and (resid 134 through 165 )
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 166 through 207 )
53	X-RAY DIFFRACTION	53	chain 'H' and (resid 208 through 223 )
54	X-RAY DIFFRACTION	54	chain 'I' and (resid 3 through 38 )
55	X-RAY DIFFRACTION	55	chain 'I' and (resid 39 through 86 )
56	X-RAY DIFFRACTION	56	chain 'I' and (resid 87 through 100 )
57	X-RAY DIFFRACTION	57	chain 'I' and (resid 101 through 119 )
58	X-RAY DIFFRACTION	58	chain 'I' and (resid 120 through 133 )
59	X-RAY DIFFRACTION	59	chain 'I' and (resid 134 through 165 )
60	X-RAY DIFFRACTION	60	chain 'I' and (resid 166 through 207 )
61	X-RAY DIFFRACTION	61	chain 'I' and (resid 208 through 223 )
62	X-RAY DIFFRACTION	62	chain 'J' and (resid 3 through 38 )
63	X-RAY DIFFRACTION	63	chain 'J' and (resid 39 through 86 )
64	X-RAY DIFFRACTION	64	chain 'J' and (resid 87 through 133 )
65	X-RAY DIFFRACTION	65	chain 'J' and (resid 134 through 165 )
66	X-RAY DIFFRACTION	66	chain 'J' and (resid 166 through 207 )
67	X-RAY DIFFRACTION	67	chain 'J' and (resid 208 through 223 )
68	X-RAY DIFFRACTION	68	chain 'K' and (resid 3 through 38 )
69	X-RAY DIFFRACTION	69	chain 'K' and (resid 39 through 86 )
70	X-RAY DIFFRACTION	70	chain 'K' and (resid 87 through 133 )
71	X-RAY DIFFRACTION	71	chain 'K' and (resid 134 through 165 )
72	X-RAY DIFFRACTION	72	chain 'K' and (resid 166 through 223 )
73	X-RAY DIFFRACTION	73	chain 'L' and (resid 3 through 38 )
74	X-RAY DIFFRACTION	74	chain 'L' and (resid 39 through 86 )
75	X-RAY DIFFRACTION	75	chain 'L' and (resid 87 through 100 )
76	X-RAY DIFFRACTION	76	chain 'L' and (resid 101 through 133 )
77	X-RAY DIFFRACTION	77	chain 'L' and (resid 134 through 165 )
78	X-RAY DIFFRACTION	78	chain 'L' and (resid 166 through 207 )
79	X-RAY DIFFRACTION	79	chain 'L' and (resid 208 through 223 )
80	X-RAY DIFFRACTION	80	chain 'M' and (resid 3 through 38 )
81	X-RAY DIFFRACTION	81	chain 'M' and (resid 39 through 86 )
82	X-RAY DIFFRACTION	82	chain 'M' and (resid 87 through 133 )
83	X-RAY DIFFRACTION	83	chain 'M' and (resid 134 through 165 )
84	X-RAY DIFFRACTION	84	chain 'M' and (resid 166 through 207 )
85	X-RAY DIFFRACTION	85	chain 'M' and (resid 208 through 223 )
86	X-RAY DIFFRACTION	86	chain 'N' and (resid 3 through 38 )
87	X-RAY DIFFRACTION	87	chain 'N' and (resid 39 through 86 )
88	X-RAY DIFFRACTION	88	chain 'N' and (resid 87 through 100 )
89	X-RAY DIFFRACTION	89	chain 'N' and (resid 101 through 119 )
90	X-RAY DIFFRACTION	90	chain 'N' and (resid 120 through 133 )
91	X-RAY DIFFRACTION	91	chain 'N' and (resid 134 through 165 )
92	X-RAY DIFFRACTION	92	chain 'N' and (resid 166 through 207 )
93	X-RAY DIFFRACTION	93	chain 'N' and (resid 208 through 223 )
94	X-RAY DIFFRACTION	94	chain 'O' and (resid 3 through 38 )
95	X-RAY DIFFRACTION	95	chain 'O' and (resid 39 through 86 )
96	X-RAY DIFFRACTION	96	chain 'O' and (resid 87 through 133 )
97	X-RAY DIFFRACTION	97	chain 'O' and (resid 134 through 165 )
98	X-RAY DIFFRACTION	98	chain 'O' and (resid 166 through 207 )
99	X-RAY DIFFRACTION	99	chain 'O' and (resid 208 through 223 )
100	X-RAY DIFFRACTION	100	chain 'P' and (resid 3 through 38 )
101	X-RAY DIFFRACTION	101	chain 'P' and (resid 39 through 86 )
102	X-RAY DIFFRACTION	102	chain 'P' and (resid 87 through 100 )
103	X-RAY DIFFRACTION	103	chain 'P' and (resid 101 through 119 )
104	X-RAY DIFFRACTION	104	chain 'P' and (resid 120 through 133 )
105	X-RAY DIFFRACTION	105	chain 'P' and (resid 134 through 151 )
106	X-RAY DIFFRACTION	106	chain 'P' and (resid 152 through 165 )
107	X-RAY DIFFRACTION	107	chain 'P' and (resid 166 through 207 )
108	X-RAY DIFFRACTION	108	chain 'P' and (resid 208 through 223 )