PDB-9qgz: Crystal structure of a D-lactate dehydrogenase from Porcellio dil...

Basic information

• Entry: Database: PDB / ID: 9qgz
• Title: Crystal structure of a D-lactate dehydrogenase from Porcellio dilatatus
• Components: Glycolate oxidase
• Keywords: OXIDOREDUCTASE / Gut metagenome / Oxidoreductases / Lactate dehydrogenases
• Function / homology: FLAVIN-ADENINE DINUCLEOTIDE / :
• Biological species: Porcellio dilatatus (crustacean)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.84 Å
• Authors: Borges, P.T. / Frazao, C. / Martins, L.O.

Funding support

Portugal, 1items

Organization	Grant number	Country
Foundation for Science and Technology (FCT)		Portugal

• Citation: Journal: Appl.Environ.Microbiol. / Year: 2025; Title: Shotgun metagenomic mining reveals a new FAD-dependent D-lactate dehydrogenase in an isopod gut microbiome.; Authors: Coelho, C. / Taborda, A. / Lorena, C. / Frazao, T. / Verissimo, A. / Borges, P.T. / Brissos, V. / Tiago, I. / Martins, L.O.

History

Deposition	Mar 14, 2025	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 3, 2025	Provider: repository / Type: Initial release

Assembly

Deposited unit

A: Glycolate oxidase

B: Glycolate oxidase

C: Glycolate oxidase

D: Glycolate oxidase

E: Glycolate oxidase

F: Glycolate oxidase

G: Glycolate oxidase

H: Glycolate oxidase

hetero molecules

Summary:

• 398 kDa, 8 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	398,493	24
Polymers	391,762	8
Non-polymers	6,731	16
Water	649	36

1

A: Glycolate oxidase

B: Glycolate oxidase

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	99,623	6
Polymers	97,941	2
Non-polymers	1,683	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8680 Å2
ΔGint	-95 kcal/mol
Surface area	32070 Å2
Method	PISA

2

C: Glycolate oxidase

hetero molecules

E: Glycolate oxidase

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	99,623	6
Polymers	97,941	2
Non-polymers	1,683	4
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_456	x-1,y,z+1	1

Calculated values:

Buried area	8470 Å2
ΔGint	-92 kcal/mol
Surface area	33000 Å2
Method	PISA

3

D: Glycolate oxidase

hetero molecules

F: Glycolate oxidase

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	99,623	6
Polymers	97,941	2
Non-polymers	1,683	4
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	8940 Å2
ΔGint	-96 kcal/mol
Surface area	32820 Å2
Method	PISA

4

G: Glycolate oxidase

H: Glycolate oxidase

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	99,623	6
Polymers	97,941	2
Non-polymers	1,683	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	8510 Å2
ΔGint	-91 kcal/mol
Surface area	32480 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	69.668, 103.920, 143.827
Angle α, β, γ (deg.)	81.94, 77.24, 75.41
Int Tables number	1
Space group name H-M	P1

Components

#1: Protein

A B C D E F G H
Glycolate oxidase

Details:

Mass: 48970.273 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Porcellio dilatatus (crustacean) / Gene: BDW27_113140 / Production host: Escherichia coli (E. coli)

#2: Chemical

A-501 B-501 C-501 D-501 E-501 F-501 G-501 H-501
ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE

Details:

Mass: 785.550 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: FAD*YM

#3: Chemical

A-502 B-502 C-502 D-502 E-502 F-502 G-502 H-502
ChemComp-FE / FE (III) ION

Details:

Mass: 55.845 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Fe / Feature type: SUBJECT OF INVESTIGATION

#4: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 36 / Source method: isolated from a natural source / Formula: H₂O

• Has ligand of interest: Y
• Has protein modification: N

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.65 ų/Da / Density % sol: 53.65 %
• Crystal grow: Temperature: 293.15 K / Method: vapor diffusion, hanging drop; Details: 0.2 M sodium formate, 0.1 M sodium phosphate pH 6.2, 20 % (v/v) PEG Smear Medium and 10 % (v/v) glycerol

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.873128 Å
• Detector: Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: May 15, 2024
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.873128 Å / Relative weight: 1
• Reflection: Resolution: 2.84→78.15 Å / Num. obs: 46387 / % possible obs: 89.2 % / Redundancy: 1.8 % / CC_1/2: 0.987 / R_pim(I) all: 0.103 / Net I/σ(I): 3.7
• Reflection shell: Resolution: 2.84→3.23 Å / Num. unique obs: 2319 / CC_1/2: 0.571

Processing

Software

Name	Version	Classification
PHENIX	(1.19.2_4158: ???)	refinement
PDB_EXTRACT		data extraction
autoPROC		data reduction
autoPROC		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.84→78.15 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.95 / Phase error: 30.23 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2623	2200	4.75 %
Rwork	0.2074	-	-
obs	0.2101	46361	51.87 %

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

Refinement step

Cycle: LAST / Resolution: 2.84→78.15 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	25880	0	432	36	26348

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	26779
X-RAY DIFFRACTION	f_angle_d	0.887	36497
X-RAY DIFFRACTION	f_dihedral_angle_d	13.444	9595
X-RAY DIFFRACTION	f_chiral_restr	0.05	4204
X-RAY DIFFRACTION	f_plane_restr	0.006	4772

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.84-2.9	0.5655	4	0.3399	87	X-RAY DIFFRACTION	2
2.9-2.97	0.3546	10	0.3822	190	X-RAY DIFFRACTION	4
2.97-3.05	0.4126	17	0.3337	314	X-RAY DIFFRACTION	6
3.05-3.13	0.3867	35	0.3114	515	X-RAY DIFFRACTION	10
3.13-3.22	0.3403	44	0.2882	928	X-RAY DIFFRACTION	17
3.22-3.32	0.3474	61	0.2655	1389	X-RAY DIFFRACTION	26
3.32-3.44	0.3156	95	0.2749	2104	X-RAY DIFFRACTION	40
3.44-3.58	0.3558	125	0.2411	2715	X-RAY DIFFRACTION	51
3.58-3.74	0.3183	159	0.2237	3178	X-RAY DIFFRACTION	60
3.74-3.94	0.2614	212	0.2008	3566	X-RAY DIFFRACTION	68
3.94-4.19	0.2696	218	0.1924	3973	X-RAY DIFFRACTION	75
4.19-4.51	0.2497	232	0.1712	4533	X-RAY DIFFRACTION	85
4.51-4.96	0.2157	227	0.1672	4984	X-RAY DIFFRACTION	93
4.96-5.68	0.2555	268	0.2145	5224	X-RAY DIFFRACTION	99
5.68-7.16	0.2759	246	0.2364	5266	X-RAY DIFFRACTION	99
7.16-78.15	0.2289	247	0.2053	5195	X-RAY DIFFRACTION	97

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	0.3772	-0.0162	-0.0814	0.0764	0.0934	0.1391	-0.1505	-0.0245	0.0236	0.1348	-0.0501	-0.1873	-0.1737	0.0961	-0.3447	0.2887	-0.2711	-0.0315	0.1261	-0.1132	0.3883	17.6836	18.5489	56.5268
2	0.4393	0.4792	-0.203	1.3052	-0.2018	0.2496	0.0106	-0.0538	-0.0422	-0.0203	-0.0979	-0.2651	-0.006	0.091	-0.3885	0.0529	-0.0997	0.0706	-0.0609	0.1603	0.1459	13.3579	12.2131	54.503
3	0.0311	0.0245	0.0141	0.021	-0.0028	0.0416	0.0113	0.0423	-0.0694	0.044	-0.0122	0.0814	-0.0812	-0.0952	-0.0176	-0.0747	0.406	0.0577	0.1942	0.0648	0.2512	-7.9522	15.7254	46.3661
4	0.604	-0.1127	0.2554	0.1628	-0.4811	1.4392	0.0394	-0.0106	-0.1047	0.0923	0.1196	0.1684	0.0332	-0.1916	1.1078	0.033	-0.0687	0.1512	0.0374	-0.0268	0.1283	0.0099	5.5345	48.7946
5	0.6016	-0.39	0.1777	0.3794	-0.2571	0.3182	0.0652	-0.0581	-0.0718	-0.0098	0.1032	0.0986	-0.0413	0.0066	0.1049	-0.0107	-0.1651	-0.0851	0.1151	-0.0536	0.291	2.9803	12.6519	38.8732
6	0.0908	0.0655	-0.0662	0.047	-0.0272	0.1235	-0.0673	-0.0276	-0.0234	-0.0211	-0.0874	0.001	0.058	0.0582	-0.2354	-0.0183	-0.0424	0.1112	0.2484	-0.0607	0.1918	5.6342	15.3211	35.8473
7	2.3499	-1.4296	-2.8218	2.0085	1.3987	3.9142	-0.9612	-0.3423	-1.4348	0.6375	0.0455	0.6127	1.4594	-0.1696	0.4524	0.7361	-0.221	0.2079	0.7955	0.0737	0.9737	-11.4926	-10.6511	43.6072
8	3.3326	0.6463	1.3968	2.999	2.2641	2.0564	0.0258	-0.5237	-0.4535	0.8073	0.6173	0.2032	0.6064	-0.6137	-0.5181	0.5493	-0.0673	0.1344	0.6028	0.2225	0.8855	-9.8069	-10.2791	54.226
9	2.3804	-0.9544	-0.8136	2.2797	1.924	2.9	0.3323	0.9732	0.0633	0.5504	0.1331	0.5196	0.9345	-0.9612	-0.403	0.9912	-0.531	-0.0748	1.1775	-0.0946	1.6426	-18.4629	-17.319	43.9763
10	0.4101	0.1412	-0.409	2.4472	0.9439	1.7982	0.5272	0.0437	0.0077	0.5041	-0.0406	-0.3332	0.1411	0.0027	-0.4562	1.4215	0.2672	0.2676	0.5913	0.0265	0.8577	-8.5956	-5.3152	57.6491
11	0.5604	-0.2979	0.252	0.7282	0.1216	1.6969	-0.0087	-0.1079	0.1855	0.163	0.1198	-0.003	-0.1285	-0.043	0.4995	0.1692	-0.002	0.2411	0.2975	-0.1469	0.1482	5.6715	-10.4439	48.5546
12	0.1526	-0.1673	-0.1005	0.205	0.164	0.2069	-0.1328	-0.2013	-0.3743	0.1712	-0.1148	-0.0754	0.2065	0.0117	-0.4018	0.4554	-0.3281	0.0201	0.4478	0.2654	0.4231	4.9379	-17.8507	49.7876
13	1.9053	0.246	0.0205	5.6836	0.407	4.9328	-0.1075	-0.7059	-0.3175	1.416	-0.4446	-0.5661	0.6808	1.5029	0.7028	0.6925	0.0199	0.1395	1.0138	0.2666	0.3432	12.2055	-13.3387	60.5049
14	1.5693	-0.6017	0.2436	3.0413	0.2869	1.6945	-0.0604	-0.1406	0.0186	0.3185	0.0623	-0.2946	0.1103	0.1095	-0.0281	0.0761	0.1244	-0.0394	-0.0548	-0.0142	0.183	14.6587	-15.138	48.383
15	0.1986	0.0019	-0.0013	0.3245	0.0309	0.5772	0.0136	-0.0391	-0.1102	0.0391	-0.0401	0.0594	0.1963	0.0519	0.336	-0.0978	0.1058	-0.0414	-0.2512	0.2577	-0.0641	18.1861	1.9208	40.4965
16	0.7879	0.1563	-0.4594	0.9758	-0.019	0.27	-0.3126	-0.1043	-0.1891	0.0437	0.4832	-0.2708	0.3313	0.3824	0.0452	0.9465	0.3474	0.2523	0.8424	-0.0258	0.3855	20.6381	-0.6723	1.0738
17	1.6682	-0.6294	-0.6742	3.4113	-0.8044	0.6269	-0.1075	0.2583	0.0276	-0.0273	0.0761	0.1657	0.0612	-0.1104	-0.2087	0.8511	-0.0172	0.1537	0.2518	0.0414	0.2351	9.7662	10.7654	3.3905
18	3.4539	-1.0126	0.8936	1.5127	0.4679	1.5242	-0.2274	0.2719	0.2281	-0.3795	-0.0741	-0.097	0.2239	0.3147	-0.0426	0.631	0.0431	0.0747	0.2201	0.0607	0.1618	15.3216	3.7482	10.2726
19	0.3907	-0.3116	-0.4019	0.399	0.043	0.9361	0.1363	0.1644	-0.1106	-0.1808	-0.0612	0.109	-0.0019	-0.055	0.8514	0.7682	0.0313	-0.0972	0.2038	-0.1135	0.1738	-3.6397	-7.613	20.4446
20	1.0077	0.7401	1.1706	4.0589	0.7672	4.0682	-0.0525	-0.2415	0.15	0.5078	-0.1	0.7337	-0.2983	-0.5842	0.3168	0.0895	0.026	0.1022	0.0511	0.0011	0.1692	-5.3068	5.6089	18.8285
21	0.1821	-0.0619	-0.0193	0.2156	0.1681	0.4779	0.0219	0.0237	0.0381	-0.1189	0.0623	-0.046	-0.1072	0.1925	0.3328	0.1815	-0.1891	-0.0509	0.0259	-0.1507	-0.1006	7.7591	1.3484	25.2574
22	0.2008	0.1225	-0.1169	0.2738	0.0319	0.1136	0.0943	-0.0409	0.0085	-0.148	0.1178	-0.0182	-0.0543	0.1525	0.9886	0.0145	-0.2033	-0.113	0.1021	0.0653	0.1323	9.7915	1.2803	28.0906
23	0.1554	0.0064	0.2516	1.2522	0.4535	0.7109	-0.0077	-0.0419	0.4849	-0.215	-0.0926	0.6602	0.178	-0.4	-0.0385	0.6005	-0.2123	-0.3338	0.2488	0.0588	0.718	-18.2506	2.5476	23.7049
24	0.346	-0.1273	-0.3729	0.8008	0.8151	1.0107	0.3592	-0.5376	0.8572	0.1361	-0.1652	0.4367	-0.3368	-0.1108	-0.0855	0.6978	-0.2233	0.3277	1.0704	-0.7738	1.7246	-21.7931	22.9505	25.8492
25	4.2487	-0.9029	0.4754	4.5172	0.22	5.6728	0.4755	0.7626	0.0573	-0.5424	-0.4297	0.4255	0.3378	-0.8592	0.0358	0.3108	0.0043	-0.2064	0.6143	0.0683	0.6782	-20.4331	14.5556	11.6221
26	0.6136	0.4509	0.2266	1.0573	-1.0592	4.0589	-0.2451	-0.3492	0.1183	0.3276	-0.0009	0.6501	0.223	-0.5228	0.0728	0.9098	-0.0241	0.4676	1.2637	0.3046	1.1211	-28.2637	12.1917	29.263
27	5.6693	-0.3459	-0.6907	1.2692	-1.9717	3.3897	0.073	0.6096	0.0908	0.5744	-0.3445	-0.2796	0.6418	-0.089	0.2824	0.692	0.0204	-0.0996	0.625	-0.2439	1.1058	-28.7645	12.5935	18.2701
28	2.8174	-0.0381	0.8579	1.9809	1.0007	3.7727	0.1047	0.643	0.4286	-0.1101	-0.3315	-0.9095	0.2562	-0.1772	0.0694	0.9569	0.3428	0.0856	0.5489	-0.1667	0.8141	-12.3218	11.3562	7.1153
29	2.1917	-0.3213	0.4064	2.0797	-0.2593	2.4668	-0.0427	-0.0507	0.3919	-0.4193	0.1006	0.165	-0.9264	0.2681	-0.1563	0.4495	-0.058	0.0353	0.197	-0.0403	0.3793	-7.4385	27.2463	13.8565
30	0.3445	0.2094	0.2391	0.8547	0.0653	0.7542	-0.148	0.0946	-0.0021	-0.1964	-0.1228	0.0554	-0.117	0.0952	-0.3787	0.2567	-0.0653	0.1309	-0.0794	-0.044	0.3367	12.0561	18.5045	21.7312
31	3.7127	-0.5665	0.5168	4.0513	-0.5852	4.0121	0.0948	-0.012	-0.3245	-0.3454	0.0701	0.3846	0.3362	-0.5636	-0.0973	0.4105	-0.129	-0.0645	0.2096	-0.0719	0.4561	-40.3772	-37.6208	79.425
32	0.0859	-0.1391	-0.2172	0.9513	0.2467	0.525	0.1549	0.0857	-0.2524	-0.1478	0.0616	0.3746	0.1483	-0.2451	0.5413	0.0242	-0.165	-0.2606	0.3223	-0.1213	0.1869	-39.7104	-37.0658	86.2435
33	0.8486	-0.0338	-0.2236	1.5663	1.2569	1.863	0.067	0.056	0.0565	-0.1014	-0.1102	0.0912	-0.2593	-0.2487	0.1109	0.2058	0.1487	-0.0124	0.2817	-0.1646	0.1117	-27.5305	-18.6315	95.6854
34	0.3701	-0.0703	0.303	0.7866	-0.0385	0.6427	-0.1312	-0.1309	0.2129	-0.1549	-0.0682	-0.4502	-0.3521	0.275	-0.2542	-0.1142	-0.0846	-0.0446	0.2712	-0.0597	0.1792	-24.9051	-28.642	97.9964
35	1.5198	0.9443	1.9565	0.5875	1.235	2.9151	0.3667	-0.4375	-0.8255	0.1184	0.6668	-0.6299	0.2624	0.5082	-0.6496	0.4247	-0.0414	0.1054	1.1173	0.3681	1.2739	2.0668	-36.9868	92.3752
36	1.7837	-0.5149	1.3732	2.9598	-0.6377	4.9328	0.1328	0.9653	0.4713	-0.7691	0.0129	-1.3392	0.3981	1.2355	-0.1787	0.6119	0.1532	0.1031	0.9086	-0.1879	1.1408	-3.0263	-38.2398	83.3685
37	0.4391	-0.2775	-0.2366	1.5488	-0.1206	0.4745	0.0608	-0.07	0.1641	0.0608	-0.0204	0.1191	0.0068	-0.0774	-0.0928	0.8078	-0.4761	0.3862	1.4109	0.2231	1.4934	4.6164	-22.3012	100.4067
38	3.5717	1.8584	-1.3547	1.3402	-1.6223	2.7664	-0.2419	0.358	-0.4321	-0.1312	-0.3196	-0.1734	0.1234	-0.1425	0.4466	0.6104	-0.0409	0.0389	1.8654	0.0895	1.2027	7.8317	-35.1822	99.3261
39	2.439	1.2443	-0.5929	4.9103	1.6367	3.0438	0.6516	-0.3107	0.8398	-0.453	0.2238	0.1924	-0.5105	0.1924	-0.6682	0.622	-0.1045	0.0862	0.8988	0.3737	1.7173	9.5816	-35.4685	88.6245
40	5.7471	3.4675	-0.7396	4.9978	-2.1099	1.896	0.4841	0.9369	1.2807	0.3434	0.186	0.0132	0.3509	0.4112	-0.74	1.1838	0.2083	0.2366	0.687	0.0041	0.9153	-8.9858	-36.8035	80.658
41	0.2438	0.3598	-0.8243	3.2486	-1.7513	2.8887	-0.1566	0.4172	0.0157	-0.2296	0.0912	0.2503	-0.0863	-1.0395	-0.1336	0.3351	0.1926	-0.001	0.6726	-0.0251	0.1566	-14.113	-48.1449	94.5268
42	4.0515	1.2025	2.8595	6.1962	2.5506	3.653	-0.5252	0.2482	0.3843	-0.4021	0.1377	-0.6257	-0.1527	0.6363	0.134	0.5835	0.1992	0.1053	0.3337	0.1121	0.3883	-6.12	-55.7965	90.6957
43	2.6647	0.0667	-0.5527	3.0807	-1.0521	3.3443	-0.1059	-0.0625	0.1296	-0.3787	0.4493	-0.5843	0.618	0.314	-0.2745	0.4622	0.1776	-0.0046	0.4014	-0.1088	0.7605	-14.081	-53.4896	85.2147
44	4.1567	2.4376	3.5669	2.563	1.081	3.9616	-0.0298	0.1433	-0.0425	0.1373	0.0866	-0.2802	-0.091	0.2839	-0.0122	0.3412	-0.163	-0.0269	0.4938	-0.2701	0.3875	-13.1321	-54.7663	101.0332
45	0.971	-0.1689	-0.54	0.2148	0.4584	1.0685	-0.0394	-0.0623	-0.3889	0.2456	0.1974	-0.1625	0.4108	0.0956	0.3722	-0.0058	0.1498	-0.0615	-0.0876	-0.0071	0.3175	-31.1702	-48.8479	98.888
46	0.0642	0.02	0.0556	0.2171	-0.194	0.2598	0.0315	0.0348	0.0282	-0.0417	-0.0145	-0.0895	-0.0447	0.0294	0.0744	0.9677	-0.3432	0.5121	1.3886	0.2834	1.1483	-23.4734	-16.4335	-9.203
47	2.6994	1.2387	-0.5599	5.1491	-0.3228	2.5787	-0.0233	-0.77	0.0219	0.5712	-0.1241	0.168	0.8416	0.1631	0.1549	0.639	0.0427	0.2413	1.1636	0.2727	0.4824	-14.3138	-4.9934	-7.2479
48	0.7251	0.4249	-0.8814	1.2116	0.0068	1.7857	-0.4143	-0.1177	-0.317	0.2735	0.0854	0.1553	0.5499	-0.2023	0.0696	0.4566	0.2169	0.2739	0.865	0.3036	0.3826	-16.7068	-5.2718	-14.6654
49	2.9193	-0.4595	-1.7992	3.3032	0.5148	1.1192	-0.254	-0.5297	0.0109	0.6264	0.1771	-0.4547	0.1645	0.4517	-0.0882	0.3326	0.2147	-0.0191	0.5315	-0.0724	0.277	3.2994	-2.3405	-24.8064
50	4.8808	2.0033	-0.9373	3.8992	-0.3889	2.6917	-0.3451	-0.2822	-0.0852	0.3358	0.4225	-0.003	-0.0023	-0.0026	-0.1392	0.3381	0.2468	0.0361	0.2656	0.0094	0.174	-6.5747	-4.1055	-31.7297
51	0.5771	-0.0168	-0.0173	0.2059	0.0306	0.3024	-0.1841	-0.2014	-0.0377	0.1802	0.1371	0.0555	0.0986	0.1328	0.0605	0.0628	0.257	0.1131	0.2231	-0.2148	0.1266	-5.5703	-4.3964	-33.9185
52	2.9047	1.3547	1.6775	1.1239	-0.5617	5.8455	0.2783	0.4704	0.4645	0.0608	0.87	-1.1365	-0.4078	0.4143	-1.1002	0.7998	-0.0577	-0.1872	0.6546	-0.0264	1.0765	6.3465	27.7868	-30.6837
53	1.558	-0.0144	-1.0605	1.1307	-0.4052	3.3393	-0.1404	-0.4274	0.2356	0.6286	-0.2676	-0.4893	-0.2772	0.8875	-0.2978	0.6116	-0.1796	-0.2502	0.8456	-0.2268	0.833	8.172	22.4543	-18.5114
54	1.9401	1.0117	-0.0194	0.6824	-0.3377	0.6839	-0.0178	0.1344	0.1201	0.2542	-0.3118	0.0012	-0.0991	0.1698	0.1546	1.0193	-0.4999	0.4487	1.2615	0.0459	2.2221	16.1947	24.3173	-36.416
55	8.2109	-1.7038	-1.9109	0.3553	0.3448	5.6347	0.1942	0.1491	0.9283	0.1424	0.0514	-1.2487	-0.9268	1.0961	-0.1872	0.8854	-0.0073	0.1554	0.7262	-0.0693	1.3672	14.4129	21.3961	-22.32
56	4.9817	-0.8247	0.9526	0.7188	0.8435	1.9047	-0.2802	-1.0884	-0.5779	0.1782	0.6118	-0.1913	1.1013	-0.2696	-0.2438	0.7526	0.1287	-0.0365	0.3912	0.0355	0.3194	-5.4212	17.6577	-15.9303
57	1.9767	-0.4478	0.307	1.67	0.3985	0.9734	-0.1196	0.3138	0.226	0.1429	0.0786	0.0193	-0.4768	-0.1073	0.0908	0.4728	0.3258	-0.2194	0.3788	0.0326	0.1421	-6.8738	26.7204	-23.9442
58	0.4478	0.3698	-0.1142	1.1658	1.1562	1.8235	0.0076	-0.4865	-0.0061	0.6316	0.2972	0.0837	-0.2106	-0.9271	-0.1258	0.5486	0.2947	0.0231	0.7182	0.0193	0.2143	-16.3863	24.6969	-17.9681
59	0.6073	-0.1571	0.256	0.4933	-0.0029	0.111	-0.0375	-0.0918	0.009	-0.1313	-0.0659	0.0159	-0.1303	-0.1748	-0.0817	0.1372	0.3338	-0.0869	0.2488	-0.0996	0.3536	-20.5773	9.7565	-29.636
60	0.1104	0.1236	-0.4037	0.6751	-0.1674	1.6015	0.0294	-0.141	-0.0164	0.12	0.0307	0.1529	0.0373	-0.1467	0.4345	0.545	-0.027	0.31	0.7149	0.1107	0.3336	-24.3691	-0.3092	-25.2266
61	1.0015	0.8871	0.5332	2.3598	0.017	2.3462	0.285	-0.6762	-0.3842	0.6564	-0.313	-0.038	0.0042	-0.0933	-0.0185	0.6962	0.006	0.1514	0.6273	0.2421	0.3556	7.6694	-57.9704	-2.0825
62	1.2436	0.286	-0.2036	1.0604	-0.6113	1.5748	-0.4526	-0.3448	-0.2948	0.0371	0.2563	-0.0522	0.5223	-0.1562	-0.1338	0.7115	0.237	0.0346	0.3482	0.1101	0.2012	7.4073	-59.1438	-9.644
63	0.1837	0.4186	0.2965	1.2393	-0.0415	2.3188	-0.2675	-0.301	-0.1031	0.2754	0.1993	0.2622	-0.1278	-0.5373	-0.234	0.7793	0.4086	0.17	0.5781	0.1171	0.2484	9.3806	-56.1135	-8.101
64	0.3122	-0.0571	0.2923	0.0867	-0.1575	0.4128	0.1073	0.2018	-0.1517	0.1924	0.0351	-0.16	0.3607	0.2068	1.4511	0.6125	0.3463	-0.4449	0.5292	-0.175	-0.0195	26.2579	-50.0017	-19.1411
65	0.369	-0.8927	-0.3981	7.4075	5.6007	6.2657	-0.0541	-0.2322	-0.2119	-0.0344	0.1979	-0.0785	0.1572	0.1903	-0.018	0.9133	-0.179	0.2886	0.6284	0.2656	0.6203	24.7595	-36.0424	-26.1511
66	1.1516	0.6301	-0.7008	1.961	0.0533	1.168	0.1299	-0.0309	-0.0047	-0.0625	0.203	-0.0746	-0.0103	-0.0348	0.6193	0.357	0.0007	0.0384	0.0435	0.1214	0.256	15.0735	-54.66	-25.306
67	0.6279	-0.5463	-0.2061	0.6943	0.3238	0.2055	-0.1857	-0.1668	0.0197	0.294	0.1964	-0.0346	0.0873	0.1053	-0.0671	0.068	0.2151	-0.1248	-0.1676	-0.1184	-0.0375	14.0327	-56.0834	-27.9802
68	0.8116	-1.9487	0.0304	6.0123	2.17	3.9972	-0.418	0.1706	1.0452	-0.3271	0.3039	-0.4409	-1.1255	0.5557	-0.2108	0.4872	0.0161	-0.1003	0.4801	0.0399	0.9163	26.9118	-26.4144	-24.3563
69	2.1211	1.4969	1.1113	3.421	-0.7815	6.5672	-0.1047	-0.6224	0.2352	0.5157	0.4736	-0.2054	-0.9437	1.2618	-0.2588	0.6156	-0.049	-0.1219	0.5071	-0.1792	0.7078	25.9401	-25.052	-13.2883
70	0.3686	0.0884	0.0747	0.0298	-0.0859	1.3015	-0.1017	0.6604	-0.1694	-0.1949	0.3961	-0.6082	-0.3968	0.5209	-0.1857	0.975	-0.587	-0.0352	1.1043	-0.0174	1.2919	32.6934	-20.0036	-29.4255
71	0.9314	0.3212	-0.447	0.1107	-0.058	2.7342	0.2106	0.0429	0.0607	-0.3272	-0.1809	-0.2021	-0.1112	0.3935	0.4636	0.6157	0.3346	-0.1922	0.2908	0.1122	0.2713	23.5624	-28.9293	-12.4582
72	0.6734	-0.3784	-0.6455	0.5899	0.2297	1.8177	0.0788	-0.0426	0.0878	-0.0142	0.1043	-0.0562	-0.1814	0.017	0.3966	0.1716	0.3615	0.068	0.3791	-0.2756	-0.0444	9.0763	-21.6802	-16.5524
73	1.6514	0.1488	1.1218	1.4794	-1.1434	2.5775	-0.0295	-0.6668	-0.1154	0.5644	0.2387	0.3759	-0.5505	-0.9082	-0.4167	0.2819	0.129	0.0493	0.3285	0.2581	0.1373	5.4283	-28.2335	-6.576
74	0.3807	-0.1183	0.3351	0.1668	-0.2627	0.486	-0.1147	-0.2003	-0.0454	0.1406	0.1122	0.069	-0.0581	-0.1418	-0.3807	0.4465	0.414	0.1263	1.16	0.2793	0.4904	1.0389	-27.1059	-18.3734
75	1.1066	0.2541	1.054	1.7366	0.8845	2.319	-0.2965	-0.5047	-0.0924	0.5885	-0.0175	0.5139	-0.1737	-0.654	0.0676	0.3322	0.1553	0.1456	0.374	0.0053	0.3216	-0.2018	-45.6604	-21.8521
76	3.3784	-3.07	1.9568	2.8473	-1.9605	1.8341	-0.0559	0.176	-0.047	-0.0927	0.0285	0.3522	-0.1852	-0.3303	-0.4731	0.4355	0.4125	-0.2259	0.7942	-0.0951	0.3138	-1.3807	21.0965	75.8354
77	2.085	2.2147	1.1882	2.3589	1.351	1.9043	0.1826	0.1535	-0.424	0.0916	0.168	-0.402	0.2031	0.3615	-0.3852	0.2432	-0.1063	-0.0334	0.7482	-0.189	0.3223	12.7189	9.7967	71.911
78	0.8667	0.5615	-0.0273	1.0184	0.0423	2.159	0.1644	-0.1244	0.1074	0.2207	-0.0368	0.0396	0.1991	-0.2935	0.4116	0.4014	0.1121	0.0493	0.4554	-0.0539	0.1344	7.3111	17.7142	78.4795
79	1.5393	0.302	0.0987	1.0303	0.2625	0.5952	-0.081	0.0471	-0.0744	0.0136	-0.1405	0.424	-0.031	-0.3476	-0.1821	0.0229	0.0508	-0.131	0.391	-0.0926	0.3769	10.1962	15.1244	80.9615
80	1.025	-0.0038	0.1276	0.3	-0.0239	0.3808	-0.175	-0.3561	0.1498	-0.1131	-0.0006	-0.0457	-0.0141	-0.0581	-0.575	-0.0283	-0.1511	0.1177	0.141	-0.0123	0.1423	24.5441	21.554	91.5625
81	4.4133	-1.4976	0.2382	0.6437	0.1007	0.2557	0.0125	-1.1011	0.8156	0.0719	0.0396	-0.2225	-0.238	-0.0207	-0.3904	0.5162	-0.0976	0.3785	1.1316	-0.1858	1.0334	49.3132	18.6577	87.0738
82	0.1603	0.2642	0.4613	2.1604	1.9615	2.1685	0.138	0.4764	-0.8365	-0.1217	-0.0973	-0.4503	0.1371	0.5947	0.0565	0.4679	0.3323	0.192	1.505	0.3462	1.1161	49.6336	-0.5822	93.9797
83	3.565	-0.7854	-1.9252	3.1355	-0.197	3.7112	0.0546	0.6497	-0.3806	-0.9475	-0.8773	0.3191	0.6933	-0.6164	0.7678	0.8594	0.0744	0.0988	0.8352	-0.4323	1.6222	44.1119	5.3147	82.6437
84	0.0364	-0.204	-0.0632	1.4086	0.4059	0.144	-0.276	-0.4448	-0.7201	0.6778	-0.0653	0.0294	0.2023	-0.1518	0.4605	2.2622	0.3809	0.9832	1.1273	0.3651	1.6247	41.904	9.4363	66.3423
85	0.1309	0.1048	0.1799	1.3486	-0.002	0.2647	-0.087	-0.1941	0.0861	-0.2338	0.0583	-0.1697	0.0808	0.1188	0.1905	0.4266	-0.1787	0.347	0.9169	0.113	0.8491	50.8276	14.7579	88.08
86	1.0283	-0.4195	-0.1788	2.1294	-0.2882	0.6539	-0.2104	-0.2329	-0.332	0.1458	-0.1353	0.1932	0.3773	0.1132	0.3515	0.8247	0.0778	0.4996	1.7928	0.3434	1.1805	56.614	5.4057	90.6387
87	1.871	-1.8152	0.482	1.9079	-1.1584	4.1366	0.3985	0.6551	0.6873	-0.574	-0.7756	0.13	1.1612	0.5306	0.1573	1.1477	-0.0546	0.1778	1.4206	0.1057	0.8935	41.1455	10.4666	76.535
88	1.3233	0.7042	-1.1537	3.8129	-1.2692	1.6325	-0.0363	0.2987	-0.0677	-0.5555	0.1048	0.2116	0.2747	-0.086	-0.0684	0.1772	0.1838	-0.0094	0.6458	0.0302	0.6532	34.5218	-5.5005	82.7232
89	4.9179	-2.0666	-0.5985	5.2489	-2.0707	2.6794	0.2412	0.284	-1.0047	0.0297	-0.1726	-0.2697	0.2877	-0.1119	-0.0642	0.6854	-0.2042	-0.0277	0.3376	-0.0927	0.4882	26.1124	-5.9124	86.0059
90	1.6761	1.3532	0.0799	1.652	-0.1636	0.7786	-0.0271	-0.0245	-0.5129	-0.0036	0.0752	-0.2975	0.1839	-0.0107	0.8765	0.1575	-0.1747	0.2344	0.1158	0.0218	0.5169	11.2736	1.8735	94.7187
91	0.4644	0.0425	-0.2923	0.1259	0.1805	1.1186	-0.0426	-0.1151	-0.1834	-0.0815	-0.0124	-0.167	0.0568	0.5036	0.0319	0.7744	0.0829	0.5856	0.8599	0.1181	0.6135	43.5846	-46.4496	6.6896
92	2.6945	-0.2893	-2.0377	0.3032	0.2597	3.3394	0.079	0.5065	0.0115	-0.1181	-0.138	-0.0444	0.196	-0.4888	-0.2117	1.0632	0.0207	0.1831	0.6982	0.013	0.3175	29.8398	-36.0822	9.3455
93	0.5348	-0.3459	-0.7359	2.2112	1.7383	2.6728	0.1967	0.0411	-0.018	0.1977	0.4224	-0.3189	0.2276	0.9224	-0.3952	1.4867	0.5544	0.1806	1.0588	-0.1241	0.5233	41.3716	-52.1777	16.79
94	1.4303	-0.5049	-0.3547	0.9069	0.2922	0.124	-0.0369	0.1502	-0.0165	-0.3201	-0.1514	-0.35	0.155	0.3887	-0.7135	0.4668	-0.0725	0.262	0.6679	-0.0218	0.2495	36.6696	-40.0962	15.6978
95	1.253	-0.367	0.4064	1.4021	-0.8067	0.5055	0.0138	0.1751	-0.5372	-0.914	0.1104	0.2215	0.8544	-0.139	-0.0424	0.7229	-0.1163	0.0548	0.2391	0.0644	0.3001	21.7236	-54.8191	24.5619
96	5.044	0.2357	-1.416	3.0463	-0.1388	3.9857	0.1894	-0.0596	-0.0319	0.1249	-0.0754	0.048	0.1859	0.3833	-0.0662	0.162	0.0282	-0.0276	0.0674	0.0352	0.148	24.4024	-48.7369	32.5144
97	1.324	0.4363	0.3592	1.1288	-0.1601	0.4662	-0.0774	0.0552	-0.4274	-0.332	0.0954	-0.1356	0.4921	-0.0467	-0.0237	0.4751	-0.174	0.2265	0.072	-0.0356	0.1158	31.9622	-49.2775	33.2661
98	0.4772	0.0002	0.7354	0.5122	-0.4006	1.4425	0.5373	-0.7261	-0.1866	0.0509	0.3049	0.3386	-0.1361	-0.3646	-0.3523	1.0616	-0.5395	0.379	1.2844	0.1759	1.5748	-2.2703	-37.775	30.9282
99	1.9867	-0.3997	0.2695	1.8783	0.8763	3.115	0.0907	1.0302	-1.0193	-0.9485	-0.3176	1.2643	0.2058	-0.8362	0.05	0.7116	-0.0686	-0.3373	1.189	-0.1645	0.9255	0.5227	-40.7298	15.2469
100	4.1608	0.0534	-1.4455	3.4436	-1.6015	3.2739	-0.2102	-0.0973	-0.7982	0.1075	-0.0737	0.0483	0.3212	0.2875	0.1009	0.3916	-0.0942	0.3469	1.0544	0.0817	1.1195	-1.7284	-40.5901	24.7617
101	-0.0026	0.0031	0.0129	0.2922	-0.8906	3.2584	0.4675	-0.9862	0.0341	0.2564	0.8253	0.6414	-0.1259	-0.7055	-1.1269	0.9023	-0.1612	0.3469	1.5574	0.3217	1.792	-5.6774	-47.0161	29.4046
102	2.0381	1.2183	-0.6673	3.3988	0.6075	4.0976	0.2505	-0.3231	-0.244	0.1268	0.2107	-0.5974	0.2425	0.4985	-0.3259	0.6389	0.0077	-0.3428	0.395	-0.2365	0.7467	10.4137	-40.4216	12.5084
103	2.3224	-0.6904	0.3251	1.633	-0.6983	4.9996	-0.3459	0.0083	-0.1915	-0.3242	0.0156	0.3633	-0.6159	-0.5457	0.0607	0.2785	0.0259	-0.0936	0.3894	-0.0158	0.2223	9.0651	-28.8591	25.5541
104	2.1121	-0.4405	0.2947	2.1855	0.0114	2.1577	-0.3225	0.452	0.1966	-0.8338	-0.0243	-0.4669	-0.433	-0.0809	0.1037	0.3729	-0.0462	0.0053	0.259	-0.0024	0.1801	11.609	-24.5208	19.442
105	2.9869	-0.3422	-0.0495	1.6098	-0.0758	1.2501	0.0279	0.4204	-0.1244	-0.0345	-0.1072	-0.1693	-0.4977	0.4166	0.0543	0.3857	-0.1582	0.1042	0.358	-0.0388	0.1688	31.9419	-30.1325	28.0841
106	1.2654	0.3986	-0.4901	1.7185	0.3067	0.3379	-0.126	-0.4047	0.133	0.265	-0.0225	-0.3499	-0.2627	0.2198	-0.3408	0.4035	-0.1477	-0.1623	0.3902	-0.1322	0.2155	36.9211	-30.7382	64.2905
107	2.633	-0.2597	0.0704	4.1786	-0.6315	1.3136	0.0086	-0.3101	0.4804	0.1153	-0.0584	-0.3696	-0.308	0.5976	-0.1735	0.1753	-0.1038	0.0594	0.6058	0.0399	0.2486	39.3439	-35.0655	58.1191
108	1.7959	0.2738	1.4667	0.3849	0.3205	1.7741	-0.0706	-0.3315	-0.3832	0.1722	0.0071	0.0195	0.0437	-0.7327	-0.046	0.0193	0.0571	-0.1881	0.3425	0.1245	0.2026	17.5683	-36.9673	54.7133
109	1.1683	-0.0775	0.5282	4.3554	-0.6635	0.3289	0.1232	-0.2175	-0.2095	0.6764	-0.0061	0.281	0.1145	-0.1194	0.3512	0.3977	-0.0509	0.1389	0.0337	0.0046	0.3495	24.5673	-44.194	56.3284
110	0.1606	-0.0694	0.6934	0.0429	-0.4022	3.8077	-0.3278	0.142	0.1163	-0.0855	-0.3987	-0.408	0.5272	-1.0556	0.6231	1.5427	0.3508	-0.2463	1.1983	-0.3036	1.109	17.7964	-54.8858	48.8051
111	0.0985	0.1042	0.1314	0.1386	0.2172	0.345	0.0458	0.1178	-0.0854	-0.0571	0.18	0.0455	0.0102	0.1852	0.5824	-0.2045	-0.2108	-0.3056	-0.0342	-0.0817	-0.1365	25.2679	-36.278	43.5028
112	2.5626	0.0467	1.8357	1.1531	-1.3558	2.9844	-0.5558	0.7797	-0.5426	-0.4198	-0.1497	-0.9638	-0.3573	0.9549	0.5614	0.8928	-0.3119	0.4181	1.0028	-0.1832	1.1017	15.2682	-65.9102	44.5034
113	0.7367	-0.7867	-0.8233	3.7892	4.1444	4.5431	-0.8132	-0.9445	-0.1205	1.1465	-0.2652	0.8509	1.0563	-0.3929	0.7976	0.6021	-0.0233	0.1951	1.2329	0.2467	1.1853	9.3834	-69.1558	56.9534
114	0.1538	0.2011	0.0391	0.6347	0.4113	0.3484	-0.1269	-0.0818	-0.1835	0.7643	-0.2144	0.6706	0.0817	-0.0937	0.3207	2.2928	0.2868	-0.4342	0.6823	-0.2324	1.4821	26.8861	-57.2259	68.5249
115	1.3827	-0.47	-0.2398	2.9315	-0.7633	3.8766	0.2018	-0.865	-0.1702	0.0229	-0.4506	-0.0467	0.9941	0.7638	0.4084	1.0967	-0.0085	0.4656	0.8673	0.2208	0.96	33.9584	-68.0174	52.2153
116	3.2301	1.0307	-1.3241	3.4057	1.149	1.6802	0.806	0.3133	-0.7397	0.6701	-0.0544	0.1508	0.126	-0.0475	-0.6154	0.8999	0.122	-0.0055	0.8387	0.0375	1.5385	28.6058	-63.4391	55.7241
117	0.0523	0.0113	-0.0191	0.0026	-0.0044	0.0069	-0.1819	-0.0088	-0.3395	-0.1975	0.1003	0.3408	0.1115	-0.408	0.1384	0.9173	-0.5209	-0.2849	2.1245	0.694	1.6145	39.5839	-62.4955	65.1299
118	0.1924	0.3908	-0.5929	4.7703	1.1746	3.2427	-0.3882	0.2717	-0.7638	0.1362	-0.3801	-0.5412	1.1517	0.7925	0.5619	0.7125	0.4357	0.0444	1.0084	-0.2007	1.2597	37.1594	-59.4567	49.7526
119	3.3115	2.0032	-1.3596	4.3395	1.3297	2.0381	-0.48	0.4766	-0.956	0.8207	-0.4618	-0.7272	1.0747	-0.2086	0.8469	0.6931	0.1729	0.257	0.8895	0.2747	0.8334	43.3518	-50.4058	44.2819
120	0.1716	0.5907	0.3894	4.1061	-1.1336	3.7813	-0.0361	0.1614	-0.0438	-0.044	-0.0262	-0.3093	-0.1212	0.5191	-0.1218	0.1203	-0.1711	0.0662	0.3167	-0.0771	0.0537	43.5783	-37.3369	46.6746

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 3:66)
2	X-RAY DIFFRACTION	2	(chain A and resid 67:93)
3	X-RAY DIFFRACTION	3	(chain A and resid 94:132)
4	X-RAY DIFFRACTION	4	(chain A and resid 133:153)
5	X-RAY DIFFRACTION	5	(chain A and resid 154:175)
6	X-RAY DIFFRACTION	6	(chain A and resid 176:210)
7	X-RAY DIFFRACTION	7	(chain A and resid 211:248)
8	X-RAY DIFFRACTION	8	(chain A and resid 249:287)
9	X-RAY DIFFRACTION	9	(chain A and resid 288:309)
10	X-RAY DIFFRACTION	10	(chain A and resid 310:332)
11	X-RAY DIFFRACTION	11	(chain A and resid 333:347)
12	X-RAY DIFFRACTION	12	(chain A and resid 348:376)
13	X-RAY DIFFRACTION	13	(chain A and resid 377:392)
14	X-RAY DIFFRACTION	14	(chain A and resid 393:407)
15	X-RAY DIFFRACTION	15	(chain A and resid 408:460)
16	X-RAY DIFFRACTION	16	(chain B and resid 3:24)
17	X-RAY DIFFRACTION	17	(chain B and resid 25:46)
18	X-RAY DIFFRACTION	18	(chain B and resid 47:93)
19	X-RAY DIFFRACTION	19	(chain B and resid 94:130)
20	X-RAY DIFFRACTION	20	(chain B and resid 131:156)
21	X-RAY DIFFRACTION	21	(chain B and resid 157:174)
22	X-RAY DIFFRACTION	22	(chain B and resid 175:208)
23	X-RAY DIFFRACTION	23	(chain B and resid 209:227)
24	X-RAY DIFFRACTION	24	(chain B and resid 228:245)
25	X-RAY DIFFRACTION	25	(chain B and resid 246:281)
26	X-RAY DIFFRACTION	26	(chain B and resid 282:300)
27	X-RAY DIFFRACTION	27	(chain B and resid 301:320)
28	X-RAY DIFFRACTION	28	(chain B and resid 321:332)
29	X-RAY DIFFRACTION	29	(chain B and resid 333:410)
30	X-RAY DIFFRACTION	30	(chain B and resid 411:460)
31	X-RAY DIFFRACTION	31	(chain C and resid 3:35)
32	X-RAY DIFFRACTION	32	(chain C and resid 36:92)
33	X-RAY DIFFRACTION	33	(chain C and resid 93:111)
34	X-RAY DIFFRACTION	34	(chain C and resid 112:215)
35	X-RAY DIFFRACTION	35	(chain C and resid 216:238)
36	X-RAY DIFFRACTION	36	(chain C and resid 247:282)
37	X-RAY DIFFRACTION	37	(chain C and resid 283:289)
38	X-RAY DIFFRACTION	38	(chain C and resid 290:301)
39	X-RAY DIFFRACTION	39	(chain C and resid 302:312)
40	X-RAY DIFFRACTION	40	(chain C and resid 313:337)
41	X-RAY DIFFRACTION	41	(chain C and resid 338:344)
42	X-RAY DIFFRACTION	42	(chain C and resid 345:366)
43	X-RAY DIFFRACTION	43	(chain C and resid 367:403)
44	X-RAY DIFFRACTION	44	(chain C and resid 404:410)
45	X-RAY DIFFRACTION	45	(chain C and resid 411:460)
46	X-RAY DIFFRACTION	46	(chain D and resid 3:9)
47	X-RAY DIFFRACTION	47	(chain D and resid 10:33)
48	X-RAY DIFFRACTION	48	(chain D and resid 34:92)
49	X-RAY DIFFRACTION	49	(chain D and resid 93:153)
50	X-RAY DIFFRACTION	50	(chain D and resid 154:177)
51	X-RAY DIFFRACTION	51	(chain D and resid 178:216)
52	X-RAY DIFFRACTION	52	(chain D and resid 222:246)
53	X-RAY DIFFRACTION	53	(chain D and resid 247:283)
54	X-RAY DIFFRACTION	54	(chain D and resid 284:302)
55	X-RAY DIFFRACTION	55	(chain D and resid 303:324)
56	X-RAY DIFFRACTION	56	(chain D and resid 325:344)
57	X-RAY DIFFRACTION	57	(chain D and resid 345:381)
58	X-RAY DIFFRACTION	58	(chain D and resid 382:411)
59	X-RAY DIFFRACTION	59	(chain D and resid 412:444)
60	X-RAY DIFFRACTION	60	(chain D and resid 445:460)
61	X-RAY DIFFRACTION	61	(chain E and resid 3:35)
62	X-RAY DIFFRACTION	62	(chain E and resid 36:77)
63	X-RAY DIFFRACTION	63	(chain E and resid 78:94)
64	X-RAY DIFFRACTION	64	(chain E and resid 95:150)
65	X-RAY DIFFRACTION	65	(chain E and resid 151:156)
66	X-RAY DIFFRACTION	66	(chain E and resid 157:174)
67	X-RAY DIFFRACTION	67	(chain E and resid 175:210)
68	X-RAY DIFFRACTION	68	(chain E and resid 211:246)
69	X-RAY DIFFRACTION	69	(chain E and resid 247:285)
70	X-RAY DIFFRACTION	70	(chain E and resid 286:301)
71	X-RAY DIFFRACTION	71	(chain E and resid 306:344)
72	X-RAY DIFFRACTION	72	(chain E and resid 345:373)
73	X-RAY DIFFRACTION	73	(chain E and resid 374:395)
74	X-RAY DIFFRACTION	74	(chain E and resid 396:408)
75	X-RAY DIFFRACTION	75	(chain E and resid 409:460)
76	X-RAY DIFFRACTION	76	(chain F and resid 3:15)
77	X-RAY DIFFRACTION	77	(chain F and resid 16:35)
78	X-RAY DIFFRACTION	78	(chain F and resid 36:54)
79	X-RAY DIFFRACTION	79	(chain F and resid 55:97)
80	X-RAY DIFFRACTION	80	(chain F and resid 98:215)
81	X-RAY DIFFRACTION	81	(chain F and resid 216:225)
82	X-RAY DIFFRACTION	83	(chain F and resid 245:259)
83	X-RAY DIFFRACTION	84	(chain F and resid 260:268)
84	X-RAY DIFFRACTION	85	(chain F and resid 269:290)
85	X-RAY DIFFRACTION	86	(chain F and resid 291:308)
86	X-RAY DIFFRACTION	87	(chain F and resid 309:334)
87	X-RAY DIFFRACTION	88	(chain F and resid 335:389)
88	X-RAY DIFFRACTION	89	(chain F and resid 390:422)
89	X-RAY DIFFRACTION	90	(chain F and resid 423:460)
90	X-RAY DIFFRACTION	91	(chain G and resid 3:24)
91	X-RAY DIFFRACTION	92	(chain G and resid 25:44)
92	X-RAY DIFFRACTION	93	(chain G and resid 45:55)
93	X-RAY DIFFRACTION	94	(chain G and resid 56:91)
94	X-RAY DIFFRACTION	95	(chain G and resid 92:153)
95	X-RAY DIFFRACTION	96	(chain G and resid 154:170)
96	X-RAY DIFFRACTION	97	(chain G and resid 171:215)
97	X-RAY DIFFRACTION	98	(chain G and resid 216:246)
98	X-RAY DIFFRACTION	99	(chain G and resid 247:272)
99	X-RAY DIFFRACTION	100	(chain G and resid 273:281)
100	X-RAY DIFFRACTION	101	(chain G and resid 282:322)
101	X-RAY DIFFRACTION	102	(chain G and resid 323:332)
102	X-RAY DIFFRACTION	103	(chain G and resid 333:356)
103	X-RAY DIFFRACTION	104	(chain G and resid 357:411)
104	X-RAY DIFFRACTION	105	(chain G and resid 412:460)
105	X-RAY DIFFRACTION	106	(chain H and resid 3:56)
106	X-RAY DIFFRACTION	107	(chain H and resid 57:83)
107	X-RAY DIFFRACTION	108	(chain H and resid 84:132)
108	X-RAY DIFFRACTION	109	(chain H and resid 133:148)
109	X-RAY DIFFRACTION	110	(chain H and resid 149:155)
110	X-RAY DIFFRACTION	111	(chain H and resid 156:213)
111	X-RAY DIFFRACTION	112	(chain H and resid 214:249)
112	X-RAY DIFFRACTION	113	(chain H and resid 250:315)
113	X-RAY DIFFRACTION	114	(chain H and resid 316:337)
114	X-RAY DIFFRACTION	115	(chain H and resid 338:363)
115	X-RAY DIFFRACTION	116	(chain H and resid 364:380)
116	X-RAY DIFFRACTION	117	(chain H and resid 381:396)
117	X-RAY DIFFRACTION	118	(chain H and resid 397:419)
118	X-RAY DIFFRACTION	119	(chain H and resid 420:438)
119	X-RAY DIFFRACTION	120	(chain H and resid 439:460)