PDB-9ll5: Crystal structure of the Helicobacter pylori copper resistance de...

Basic information

• Entry: Database: PDB / ID: 9ll5
• Title: Crystal structure of the Helicobacter pylori copper resistance determinant CrdA in complex with silver ions in space group P1
• Components: Copper resistance protein
• Keywords: METAL BINDING PROTEIN / CrdA / copper ion
• Function / homology: SILVER ION / :
• Biological species: Helicobacter pylori (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å
• Authors: Ki, D.W. / Oh, H.B. / Cho, H.Y. / Song, W.S. / Yoon, S.I.

Funding support

Korea, Republic Of, 1items

Organization	Grant number	Country
National Research Foundation (NRF, Korea)	RS-2023-00208153	Korea, Republic Of

• Citation: Journal: Febs J. / Year: 2025; Title: Structural basis of Cu(I) ion recognition by the Helicobacter pylori copper resistance determinant CrdA.; Authors: Ki, D.U. / Oh, H.B. / Cho, H.Y. / Song, W.S. / Yoon, S.I.

History

Deposition	Jan 17, 2025	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Nov 19, 2025	Provider: repository / Type: Initial release

Assembly

Deposited unit

A: Copper resistance protein

B: Copper resistance protein

C: Copper resistance protein

D: Copper resistance protein

E: Copper resistance protein

F: Copper resistance protein

G: Copper resistance protein

H: Copper resistance protein

hetero molecules

Summary:

• 100 kDa, 8 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	100,380	29
Polymers	98,194	8
Non-polymers	2,186	21
Water	5,441	302

1

A: Copper resistance protein

B: Copper resistance protein

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	24,980	6
Polymers	24,549	2
Non-polymers	431	4
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1420 Å2
ΔGint	-21 kcal/mol
Surface area	11130 Å2
Method	PISA

2

C: Copper resistance protein

D: Copper resistance protein

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	25,164	8
Polymers	24,549	2
Non-polymers	616	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1840 Å2
ΔGint	-22 kcal/mol
Surface area	11280 Å2
Method	PISA

3

E: Copper resistance protein

F: Copper resistance protein

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	25,164	8
Polymers	24,549	2
Non-polymers	616	6
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1910 Å2
ΔGint	-27 kcal/mol
Surface area	10750 Å2
Method	PISA

4

G: Copper resistance protein

H: Copper resistance protein

hetero molecules

Summary:

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

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	25,072	7
Polymers	24,549	2
Non-polymers	524	5
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1600 Å2
ΔGint	-21 kcal/mol
Surface area	11020 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	42.928, 52.666, 104.112
Angle α, β, γ (deg.)	86.496, 84.639, 66.646
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	PRO	PRO	LYS	LYS	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	20 - 26	5 - 11
1	2	ASP	ASP	PRO	PRO	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	29 - 40	14 - 25
1	3	LYS	LYS	VAL	VAL	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	42 - 65	27 - 50
1	4	PHE	PHE	PRO	PRO	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	67 - 73	52 - 58
1	5	PRO	PRO	MET	MET	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	76 - 81	61 - 66
1	6	VAL	VAL	GLU	GLU	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	84 - 86	69 - 71
1	7	ASN	ASN	GLU	GLU	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	88 - 92	73 - 77
1	8	THR	THR	TYR	TYR	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	95 - 117	80 - 102
1	9	ALA	ALA	LEU	LEU	(chain 'A' and (resid 20 through 21 or (resid 22...	A	A	119 - 125	104 - 110
2	10	PRO	PRO	LYS	LYS	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	20 - 26	5 - 11
2	11	ASP	ASP	PRO	PRO	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	29 - 40	14 - 25
2	12	LYS	LYS	VAL	VAL	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	42 - 65	27 - 50
2	13	PHE	PHE	PRO	PRO	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	67 - 73	52 - 58
2	14	PRO	PRO	MET	MET	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	76 - 81	61 - 66
2	15	VAL	VAL	GLU	GLU	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	84 - 86	69 - 71
2	16	ASN	ASN	GLU	GLU	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	88 - 92	73 - 77
2	17	THR	THR	TYR	TYR	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	95 - 117	80 - 102
2	18	ALA	ALA	LEU	LEU	(chain 'B' and (resid 20 through 21 or (resid 22...	B	B	119 - 125	104 - 110
3	19	PRO	PRO	LYS	LYS	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	20 - 26	5 - 11
3	20	ASP	ASP	PRO	PRO	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	29 - 40	14 - 25
3	21	LYS	LYS	VAL	VAL	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	42 - 65	27 - 50
3	22	PHE	PHE	PRO	PRO	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	67 - 73	52 - 58
3	23	PRO	PRO	MET	MET	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	76 - 81	61 - 66
3	24	VAL	VAL	GLU	GLU	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	84 - 86	69 - 71
3	25	ASN	ASN	GLU	GLU	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	88 - 92	73 - 77
3	26	THR	THR	TYR	TYR	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	95 - 117	80 - 102
3	27	ALA	ALA	LEU	LEU	(chain 'C' and (resid 20 through 21 or (resid 22...	C	C	119 - 125	104 - 110
4	28	PRO	PRO	LYS	LYS	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	20 - 26	5 - 11
4	29	ASP	ASP	PRO	PRO	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	29 - 40	14 - 25
4	30	LYS	LYS	VAL	VAL	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	42 - 65	27 - 50
4	31	PHE	PHE	PRO	PRO	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	67 - 73	52 - 58
4	32	PRO	PRO	MET	MET	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	76 - 81	61 - 66
4	33	VAL	VAL	GLU	GLU	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	84 - 86	69 - 71
4	34	ASN	ASN	GLU	GLU	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	88 - 92	73 - 77
4	35	THR	THR	TYR	TYR	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	95 - 117	80 - 102
4	36	ALA	ALA	LEU	LEU	(chain 'D' and (resid 20 through 21 or (resid 22...	D	D	119 - 125	104 - 110
5	37	PRO	PRO	LYS	LYS	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	20 - 26	5 - 11
5	38	ASP	ASP	PRO	PRO	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	29 - 40	14 - 25
5	39	LYS	LYS	VAL	VAL	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	42 - 65	27 - 50
5	40	PHE	PHE	PRO	PRO	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	67 - 73	52 - 58
5	41	PRO	PRO	MET	MET	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	76 - 81	61 - 66
5	42	VAL	VAL	GLU	GLU	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	84 - 86	69 - 71
5	43	ASN	ASN	GLU	GLU	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	88 - 92	73 - 77
5	44	THR	THR	TYR	TYR	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	95 - 117	80 - 102
5	45	ALA	ALA	LEU	LEU	(chain 'E' and (resid 20 through 25 or (resid 26...	E	E	119 - 125	104 - 110
6	46	PRO	PRO	LYS	LYS	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	20 - 26	5 - 11
6	47	ASP	ASP	PRO	PRO	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	29 - 40	14 - 25
6	48	LYS	LYS	VAL	VAL	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	42 - 65	27 - 50
6	49	PHE	PHE	PRO	PRO	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	67 - 73	52 - 58
6	50	PRO	PRO	MET	MET	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	76 - 81	61 - 66
6	51	VAL	VAL	GLU	GLU	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	84 - 86	69 - 71
6	52	ASN	ASN	GLU	GLU	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	88 - 92	73 - 77
6	53	THR	THR	TYR	TYR	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	95 - 117	80 - 102
6	54	ALA	ALA	LEU	LEU	(chain 'F' and (resid 20 through 27 or resid 29...	F	F	119 - 125	104 - 110
7	55	PRO	PRO	LYS	LYS	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	20 - 26	5 - 11
7	56	ASP	ASP	PRO	PRO	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	29 - 40	14 - 25
7	57	LYS	LYS	VAL	VAL	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	42 - 65	27 - 50
7	58	PHE	PHE	PRO	PRO	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	67 - 73	52 - 58
7	59	PRO	PRO	MET	MET	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	76 - 81	61 - 66
7	60	VAL	VAL	GLU	GLU	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	84 - 86	69 - 71
7	61	ASN	ASN	GLU	GLU	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	88 - 92	73 - 77
7	62	THR	THR	TYR	TYR	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	95 - 117	80 - 102
7	63	ALA	ALA	LEU	LEU	(chain 'G' and (resid 20 through 25 or (resid 26...	G	G	119 - 125	104 - 110
8	64	PRO	PRO	LYS	LYS	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	20 - 26	5 - 11
8	65	ASP	ASP	PRO	PRO	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	29 - 40	14 - 25
8	66	LYS	LYS	VAL	VAL	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	42 - 65	27 - 50
8	67	PHE	PHE	PRO	PRO	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	67 - 73	52 - 58
8	68	PRO	PRO	MET	MET	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	76 - 81	61 - 66
8	69	VAL	VAL	GLU	GLU	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	84 - 86	69 - 71
8	70	ASN	ASN	GLU	GLU	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	88 - 92	73 - 77
8	71	THR	THR	TYR	TYR	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	95 - 117	80 - 102
8	72	ALA	ALA	LEU	LEU	(chain 'H' and (resid 20 through 21 or (resid 22...	H	H	119 - 125	104 - 110

Components

#1: Protein

A B C D E F G H
Copper resistance protein

Details:

Mass: 12274.262 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Helicobacter pylori (bacteria) / Gene: B0X44_01495, B0X54_06630 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2A6UQS9

#2: Chemical

A-201 A-202 B-201 B-202 C-201 C-202 D-201 D-202 E-201 E-202 F-201 F-202 G-201 G-202 H-201 H-202
ChemComp-AG / SILVER ION

Details:

Mass: 107.868 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Ag / Feature type: SUBJECT OF INVESTIGATION

#3: Chemical

C-203 D-203 E-203 F-203 G-203
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL

Details:

Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃H₈O₃

#4: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 302 / 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: 2.19 ų/Da / Density % sol: 43.84 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 4.8 / Details: PEG 600, phosphate citrate

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 7A (6B, 6C1) / Wavelength: 0.9793 Å
• Detector: Type: ADSC QUANTUM 270 / Detector: CCD / Date: Jun 30, 2021
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.9793 Å / Relative weight: 1
• Reflection: Resolution: 1.85→30 Å / Num. obs: 67686 / % possible obs: 95.5 % / Redundancy: 3.7 % / B_iso Wilson estimate: 20.38 Ų / CC_1/2: 0.995 / Net I/σ(I): 25.5
• Reflection shell: Resolution: 1.85→1.88 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 3.1 / Num. unique obs: 3263 / CC_1/2: 0.803 / % possible all: 91.4

Processing

Software

Name	Version	Classification
PHENIX	1.15.2_3472	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.85→29.76 Å / SU ML: 0.215 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 24.6068
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	Rfactor	Num. reflection	% reflection
Rfree	0.2321	3274	4.84 %
Rwork	0.1914	64395	-
obs	0.1934	67669	95.13 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 30.13 Ų

Refinement step

Cycle: LAST / Resolution: 1.85→29.76 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6332	0	30	302	6664

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0068	6445
X-RAY DIFFRACTION	f_angle_d	0.9436	8731
X-RAY DIFFRACTION	f_chiral_restr	0.0599	1014
X-RAY DIFFRACTION	f_plane_restr	0.0067	1120
X-RAY DIFFRACTION	f_dihedral_angle_d	16.8666	3968

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.85-1.88	0.283	136	0.2548	2484	X-RAY DIFFRACTION	84.43
1.88-1.91	0.3321	143	0.2351	2663	X-RAY DIFFRACTION	91.7
1.91-1.94	0.3175	124	0.2168	2719	X-RAY DIFFRACTION	91.01
1.94-1.97	0.275	137	0.2165	2699	X-RAY DIFFRACTION	91.25
1.97-2.01	0.2716	128	0.2059	2700	X-RAY DIFFRACTION	92.51
2.01-2.05	0.2567	150	0.2008	2713	X-RAY DIFFRACTION	91.27
2.05-2.09	0.2288	127	0.2002	2671	X-RAY DIFFRACTION	92.04
2.09-2.13	0.2559	141	0.2024	2735	X-RAY DIFFRACTION	91.77
2.13-2.18	0.2804	148	0.2018	2740	X-RAY DIFFRACTION	94.32
2.18-2.24	0.2137	137	0.2001	2783	X-RAY DIFFRACTION	94.53
2.24-2.3	0.2652	154	0.1995	2816	X-RAY DIFFRACTION	95.13
2.3-2.37	0.2788	127	0.2072	2843	X-RAY DIFFRACTION	96.18
2.37-2.44	0.2654	166	0.2065	2801	X-RAY DIFFRACTION	97.21
2.44-2.53	0.2691	131	0.2058	2969	X-RAY DIFFRACTION	97.88
2.53-2.63	0.2559	133	0.1988	2845	X-RAY DIFFRACTION	97.83
2.63-2.75	0.2162	139	0.195	2884	X-RAY DIFFRACTION	98.28
2.75-2.89	0.2192	159	0.1963	2887	X-RAY DIFFRACTION	98.16
2.89-3.08	0.2254	134	0.2038	2924	X-RAY DIFFRACTION	98.2
3.08-3.31	0.2525	126	0.1782	2939	X-RAY DIFFRACTION	98.55
3.31-3.65	0.2208	183	0.1787	2826	X-RAY DIFFRACTION	98.82
3.65-4.17	0.1827	117	0.1753	2956	X-RAY DIFFRACTION	98.87
4.17-5.25	0.1957	179	0.1623	2899	X-RAY DIFFRACTION	99.32
5.25-29.76	0.2087	155	0.1881	2899	X-RAY DIFFRACTION	98.93

Refinement TLS params.

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

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	3.52321464747	2.98379254802	-4.06854279425	2.66437180806	-3.51778807518	4.73362501223	-0.242155292278	-0.287509783976	-0.422049884201	0.167694327093	0.312436548942	0.120461680762	0.484105805377	0.112831106186	-0.0956893068205	0.222627609253	0.0152343435342	0.0526778622296	0.219438789288	0.0335533340409	0.245515193692	-3.96729114762	0.842576874545	-50.762848842
2	3.65097474594	1.30461416044	-0.130155279678	7.21780686394	1.25399104316	4.04984349845	0.389678961084	0.190530966031	0.325436865812	-0.328763825772	-0.473525538983	-0.284940890985	-0.524282982379	0.21872598057	-0.0269455811404	0.14860604288	-0.0658430442249	0.0201225053819	0.19725716973	-0.00323134667524	0.283455105255	7.11311295598	15.5379697061	-55.9913658728
3	5.74224675676	1.75670036837	1.02235746542	4.80684688031	1.61509398766	3.34331711641	-0.0467358944449	-0.0963170457131	-0.129222833588	-0.278164746814	0.00687713359613	-0.000776080858991	0.0894107184332	-0.211323865221	-0.0115067750033	0.12701118775	-0.0262239614997	0.00668244241255	0.15699486604	0.00866407649701	0.064714960195	-4.11632000959	7.19184615055	-56.6319968935
4	3.71178662344	3.52379816547	2.0949296019	4.86492040458	0.932120472117	1.89050558577	-0.111363829915	-0.998965562044	0.144023247533	0.226450503729	-0.00982430874133	-0.128234073261	-0.236348060613	-0.508014370731	-0.0821662578395	0.140643657733	-0.0355360681198	0.0240677936091	0.266987404596	-0.0432871568682	0.152000362843	-5.14516514689	9.09440293777	-46.2434917303
5	3.5167856046	2.9206242163	1.01651573126	8.36595036323	-0.166482758335	0.466397317815	0.426312810762	-1.1990588827	0.427355414977	0.762659996874	-0.249926825586	-0.71243621155	-1.28072592901	1.15822427514	-0.107029582521	0.449375150529	-0.167706204165	-0.111918468092	0.40883103521	-0.0922686111187	0.403316592478	10.4199554536	19.0645083168	-39.9800409531
6	8.39000706562	4.84472772755	7.88662007884	4.07099085107	3.81052598924	8.23036843081	0.138998666722	-0.276620763614	0.169223062651	0.390936534766	-0.0675606340179	0.0479137224687	0.137351216885	-0.468785840421	-0.069210492181	0.179136218576	0.0158083221317	0.0264958530006	0.256690530779	-0.0578318187982	0.161528796928	-7.25566093055	12.2475954843	-45.6878816228
7	5.06811744418	1.57169913757	-0.179503199817	7.38882492791	-4.81569735644	7.46491530042	0.155239607258	-0.551329300632	-0.533412024905	0.357635856027	-0.383725943105	-0.700560407474	0.698203659884	1.0453994934	0.276398452659	0.284286454965	0.117760069842	-0.0614548330083	0.339007155249	0.0449779046615	0.321060501308	-28.6535611395	-11.1921472678	-51.8624810418
8	3.89010676989	0.276207727985	-0.145178634576	6.37132955567	0.561122654478	3.66433608464	-0.246640272261	0.570416371533	-0.22295721443	-1.01098541019	-0.0772261407093	-0.9905161907	0.0205351573358	0.750740980334	0.113918571672	0.212253343262	-0.0623326281794	0.0822190495433	0.423258542597	0.0538103707847	0.199459708944	-26.3446963524	1.08909649204	-62.748220096
9	5.33172140613	2.3229797389	-1.00391809864	8.31992194456	-4.06718293845	6.25483597254	-0.0246630961287	-0.0666103646111	-0.287908993653	-0.29097072637	0.24954584844	0.0137167497576	0.438448475816	0.0597953998599	-0.0645362620128	0.108151630646	0.0181654409893	-0.0213158266301	0.147810736367	-0.0329954088204	0.127462844684	-33.8419237537	-6.1765464171	-56.5470896501
10	4.50674605462	-5.47104540802	0.14913640058	6.8375831386	-1.12817483303	5.20081078897	-0.658112651671	0.0125270918464	-1.76730056872	-0.570466311339	-0.183637604004	-0.589212028798	1.53161850414	0.273606168858	-0.162763003421	0.490162018931	-0.0251267643388	0.137984101554	0.300950153216	0.16028294141	0.748839553195	-41.8070066961	-16.8720418794	-50.0581107739
11	5.00231740772	5.63097192361	-0.2327616452	7.43036172234	-0.753701468081	2.54366091724	0.249587681646	-0.885172961148	0.162899886059	0.388788989691	-0.350842301228	-0.22296801975	0.0105768105261	0.237967506822	0.108621748177	0.162738358944	-0.0543589575949	-0.0375362168616	0.295278047546	0.0509074164811	0.162374125446	-33.254381334	0.647573479698	-48.5439310398
12	9.74444785175	5.40199250496	2.68708855554	7.05360498887	2.80510242917	4.79440316211	0.0797813582408	-0.179646177443	0.178204605472	0.149564107933	0.0559653509864	-0.242106185896	-0.0401520020303	0.0926288396741	-0.173214598784	0.127500372803	0.0458245920626	0.0100456828417	0.180426195687	0.00115679623912	0.134169979319	-32.0768398174	4.33024294651	-50.9428923079
13	7.36142620429	4.29390859373	0.300976622504	6.93897934669	-1.00758743991	2.71207892594	0.0355982704503	0.167813384191	0.409819221041	-0.00294022909601	-0.064431878243	0.382705403626	0.144935723895	0.124543942775	0.0623822987809	0.149969049001	-0.026185318778	-0.00199868039354	0.175241324671	0.0152338015991	0.0884184136685	-32.6188563793	1.47530068606	-57.0118063031
14	3.62793682844	5.16205375915	-1.59976687036	7.39586156041	-2.21161856138	2.33634123221	0.630449951133	-0.706629299324	-0.0686756911345	0.589590479624	-0.428876453114	0.109898759764	0.0142353378836	-0.147003519209	0.0392996260914	0.160381564338	-0.0413223316506	-0.0168018134559	0.298941621915	0.0529108072666	0.156134908241	-31.4954219373	-1.89364196757	-46.9629209071
15	3.50642646063	1.7193625763	-2.11496394371	1.70780714087	-1.23803729592	1.32320788931	0.203930285427	-0.22418016378	-0.143054318803	-0.0742872641514	0.133293541518	0.234596059002	0.386565221488	-0.567124148003	0.218678280001	0.15639519423	-0.522343722312	0.0983728904669	0.476932789779	0.349631676092	0.371306062902	-45.169708755	-14.2467809459	-42.4808698454
16	5.51166137571	6.1271842897	-5.95137722988	7.12214711589	-6.00553018941	7.8677875547	-0.209098196609	-0.0696302210347	-0.270583693519	-0.0394845620194	0.10866033797	-0.138042255476	0.147357326307	-0.0969248253662	0.134198572972	0.160956874586	0.00982502865765	-0.021361814434	0.225821594856	0.0648974739202	0.212793955471	-28.5989917821	-4.66019259877	-47.3971417579
17	9.6262780325	4.07512829466	7.284520369	8.91867331385	2.63570423922	5.69844234153	-0.483547730586	0.0136356968647	-0.0666949243079	-0.349156166241	1.10225127934	0.116562483868	-0.544663441541	-1.10411883532	-0.195267563472	0.350084325528	-0.0172748489545	-0.0108205331061	0.438136824891	0.137579667067	0.391584515139	-68.2613508022	-22.5206710158	-74.1318786333
18	7.19705420148	0.130259892981	5.14398501396	3.4603512396	-0.531178774821	3.89753333457	-0.0924938917267	0.816264257323	-0.181234930381	-0.47160908509	0.467236175449	0.213287285356	0.404028232492	-1.01810767312	-0.164711506585	0.310856360983	-0.0777491053745	-0.0489416374871	0.673187028325	0.124771455588	0.302244773285	-71.7603329327	-27.4033446186	-77.4659251847
19	3.18626565109	1.71040315676	-0.297754625456	4.1449794818	-0.51027618635	2.1086047479	0.31415166314	-0.487553221546	0.648668248725	0.00286433541117	-0.209837317588	-0.0376780114272	-0.009900893822	0.575532699836	0.186306936116	0.307330756611	-0.0344945725549	-0.0454282832777	0.333568888158	0.100641408426	0.279703252194	-56.8472730926	-24.4256737829	-64.4238044999
20	7.23879103027	-0.383392695335	1.77708340692	5.96850646161	0.44609281148	4.30315448141	0.0149531998324	-0.118581622574	0.496155103775	0.0893839518718	-0.310928301165	0.319020234963	-0.00559413156761	-0.769504945464	0.374404599389	0.358121731516	0.0235000989099	-0.0427138735397	0.420752925677	0.0512046198621	0.180966566625	-66.0313999257	-30.9239421777	-71.2757307273
21	2.46069811436	-4.5445109479	0.158089972142	9.38252270616	1.88290926764	5.07420936836	-0.0468626716433	0.557099515992	-0.382669872182	-0.0809452567997	-0.314063360518	1.62714925259	-0.294857602664	-1.29162217429	0.33810879911	0.279665768937	-0.0386737601552	-0.0249363923505	0.834995723227	-0.0762423678759	0.639594516472	-77.2985689999	-36.9249718026	-77.1206462905
22	4.79088966078	5.03287889821	2.25510274977	5.45473560783	2.39260672506	1.06291559521	-0.20193909268	0.981946862666	-0.947848740964	-0.635031410595	0.455292302997	-1.06002417241	-0.195915355518	0.265620243445	-0.18250604769	0.319522438431	-0.0414566419342	0.0391570354812	0.561184433006	0.00309757960226	0.305559843899	-58.9331799316	-31.4675087771	-79.4429165806
23	6.1242966387	5.10737853392	-2.96406863185	4.45854199419	-2.90903853346	2.40767249306	-0.818752308374	1.63307547163	-0.539546616415	-1.06707696064	1.17793277908	-0.909914658144	-0.791881163645	0.0487231305173	-0.348930184204	0.59213637607	-0.132103701903	0.164745529773	0.660674597912	-0.0843104224611	0.414741522835	-45.3333878015	-20.8866195491	-81.998069127
24	2.47132557773	2.65443699071	2.16395513484	3.03778863462	2.07816119461	7.74159045698	-0.483775868503	1.14353770636	-1.40983317172	-0.76894274942	0.653814741145	-1.47168010975	0.137147148928	-0.82639929788	-0.201579557051	0.329465762642	0.0448720534647	0.0572935010885	0.532349902763	-0.0644070725964	0.491079462878	-52.4268888514	-31.8543475948	-77.4327916664
25	9.22927192862	5.02114381	-5.82734530791	9.06126083419	-4.82316222649	4.22340052063	0.080633186195	-0.072060226877	-1.22394990339	-0.00374472683703	0.166892237004	-0.0356839381501	0.406583845477	-0.633929388692	-0.273215434157	0.261931842705	-0.0374321875321	0.00680018902493	0.445646303706	0.0359612894931	0.248280917758	-69.0760051988	-39.8765970054	-70.9240690583
26	6.9705553553	4.04634232457	4.62556115032	5.73214144006	2.47604338108	3.9737167422	-0.0030921704198	0.100664251676	-0.275408236952	0.173367904688	0.157569631379	-0.309165496347	0.0348206068143	-0.21992188674	-0.231583544472	0.260941865225	0.0276255956473	0.00649102162977	0.455962028749	0.0246996293878	0.224626656613	-57.5598396276	-30.8744498781	-70.4825208638
27	8.39249059435	8.32261440411	4.01971246811	8.48460987529	3.94825973407	2.32278635324	-0.724371572343	1.12454457554	-0.358277389667	-1.05921302981	0.642689527417	-0.385467172729	-0.266074571832	0.505659253406	-0.00102579820319	0.304556321346	-0.0473446480415	0.00515195280227	0.5608462913	0.0992971739557	0.339599234435	-60.6428292819	-28.1438400123	-80.2015061436
28	9.34887213007	1.28098508089	2.81616743082	3.46386808198	1.92173592551	5.95530924875	0.00935498264424	0.580571563847	-1.40979342082	-0.850948048626	0.163053333911	0.302253648734	0.471882289742	-0.145795262665	-0.263430883588	0.405505378079	-0.131557410133	-0.188366749262	0.702293194388	0.0555225808969	0.545622412189	-74.102269116	-40.3097252877	-85.8905428415
29	3.46484302717	1.48579831422	1.31326199261	3.38723776454	1.49288807612	1.36708842033	0.156097156745	0.381964736829	-0.028435361792	-0.228169291128	-0.38056476802	0.115760392561	0.165322095413	0.213265175295	-0.148129395225	0.358524712029	0.0340194138315	-0.0349936514406	0.667879353595	0.202468354316	0.219732788356	-63.4552210601	-25.5045433632	-79.8664163995
30	4.00712594019	0.792686958225	-5.28626707392	1.74102552217	-0.440058677886	9.27080919109	-0.168953461677	-0.10506662484	-0.283407529916	-0.0399283520088	-0.123174771268	-0.0492217859956	0.96154748798	-0.34373734868	0.229310497057	0.307404425269	0.0149701753741	0.0114746798592	0.418135019605	0.173784367902	0.365100843265	-36.5326733677	-8.92527036025	-73.798531527
31	8.05956364412	4.28635106036	-3.53168589631	4.00721776842	-3.11812166184	2.72691462498	0.251235651874	0.594249530896	-0.342527815114	0.173270385025	-0.0462070048154	-0.0608339050642	0.0479737175655	0.118920837788	-0.201014846701	0.292241708806	0.080073245941	0.0723138460045	0.386349094194	0.0671341752366	0.18718077757	-37.0709546629	-2.04837888291	-79.4367751208
32	3.29495058667	3.04952801004	3.59467946339	6.22972157012	1.50667133861	4.89266236914	-0.142906009165	-0.443520600329	0.607161468597	-0.0373201595444	0.465194353773	1.38657567357	0.157726255351	-0.0269089286661	-0.259334012486	0.281417788017	0.0819407143033	0.0273517087575	0.514255837684	0.182042421703	0.476781947643	-56.8246185099	-7.9717449457	-77.588940862
33	2.32451915445	1.77764640261	-0.903332927371	2.27090839392	-0.203891518673	0.626893531872	0.325408307378	-0.90015407902	0.0163548378492	0.349784079579	-0.206791658826	0.284423383089	-0.109307806411	-0.420081913735	-0.180322960802	0.308720194817	0.0552231616163	0.0652641168412	0.734683689289	0.180191414716	0.275919204463	-41.0439646979	-1.83202443712	-70.7066250257
34	5.5039053876	6.8889410734	-5.05504429777	8.04781969112	-5.87036328785	5.49938381646	0.0909185222493	-0.310641779178	-0.306875060167	0.0267852798854	-0.0492230812425	-0.080553209847	0.152326708995	-0.101735348234	-0.0113645767738	0.237720661756	0.0146113676113	0.0370733697998	0.402497490234	0.161162864289	0.294463750782	-40.1047527778	-5.40789381322	-81.919144417
35	6.40097327303	-2.87294416593	-5.77313884234	5.99237834517	3.18171935212	5.37515993592	-0.335368045351	0.652537897932	-0.625786528485	-0.192665335443	0.241150810712	0.230346572178	0.767254229237	-0.747094695883	0.0807374825972	0.228239609251	-0.0358325914237	-0.0346683389838	0.177877491533	0.0147456665479	0.249264608009	-66.002462429	0.51402608483	-1.97656693269
36	2.24253086599	0.13579204177	1.73276509513	3.49193403028	-1.57115546841	2.3239418602	-0.133822267828	-0.00603100931165	-0.509215075061	-0.181058747356	0.158678626186	0.195855618786	0.554977724917	-0.617700615437	0.0726273420982	0.18474719515	-0.0408611900229	-0.00173513217481	0.153147846394	0.0137210050423	0.24742544035	-69.5343119881	4.73996208362	1.21240362697
37	5.34277721578	-1.56111867954	-6.37767730291	2.56302547043	1.41833143809	8.5420712957	0.0692335211455	0.392972295057	-0.0964991101942	-0.018712357078	-0.107189062779	-0.114563383679	0.310887878375	-0.273367613986	0.0100776827165	0.18169295996	0.00193665059364	-0.0318628015317	0.122939270907	0.00879883236305	0.108348550616	-60.4545794904	7.41593781307	-6.42074717486
38	2.10367120582	1.96722693528	-1.45860538341	2.05492209391	-1.84707084592	3.22534295003	0.186679341956	0.272906762008	-0.351960950373	0.0358667950065	0.27429448749	0.259315742354	-0.0176278222133	-0.28033628988	-0.424237317215	0.225669311191	0.0131169939567	-0.00837157212715	0.190397955523	0.0275052367873	0.295620770106	-75.3488418794	14.3171378314	2.94380658479
39	3.59442134631	-0.0560707359753	-3.4866523675	3.06681691844	2.69297487874	5.64225509107	0.0624714773049	-0.410251163484	0.109359961634	0.213508962143	0.297744184526	-0.396825923563	0.0895818902418	0.314782827761	-0.36715548522	0.169434137189	-0.0225946873523	0.00619058071651	0.106523959909	-0.0292297641909	0.121590418453	-56.3838568712	10.0835426164	3.85056366882
40	7.33708730303	-5.26530907563	-2.08650912743	4.13665646189	0.412391872304	4.20297829126	-0.412731308195	-0.63187303728	0.329511452113	0.259301797347	0.269128147313	-0.885535928189	-0.0836414227916	0.247304269477	-0.0408545216969	0.24313615218	0.0126212347012	-0.0583104258061	0.207563058535	-0.0499078833123	0.245458486744	-42.3040955403	0.222220273791	6.02142795168
41	8.41699355793	-8.15407372248	3.50249627171	8.583140565	-3.99313682551	2.06046366846	0.25101592745	-0.283138359623	0.539520272612	0.046274003249	0.0361924064383	-0.636558415707	-0.142660848463	-0.185338080027	-0.150995599061	0.278216841462	-0.0615837448727	0.01429983279	0.130605728716	-0.0147333171614	0.358822989261	-50.1053028299	10.5670484112	2.26673850493
42	3.15683522017	-3.67744949758	2.05236002986	4.45011073925	-2.75890433523	8.41333889594	-0.27115389332	0.273183355443	0.383887590488	-0.102343216404	0.115095111526	-0.0561585197415	0.0286175803047	-0.24860277597	0.149930566122	0.214266197434	-0.0137314845393	0.0269662998641	0.112321171312	0.021077145694	0.129870863935	-66.2259878322	18.261668306	-4.54550649286
43	6.38173281605	-2.76997565782	-2.08354054196	3.35038593238	-0.00601149818363	2.46990708526	0.104668936291	0.248249135498	0.105444418478	-0.0723197968031	-0.0911542702289	-0.245326538139	-0.000394091771574	0.0652853651597	-0.0371987725329	0.134328251554	-0.0180048892278	0.0208276604129	0.140509826294	0.00898394653431	0.103053758929	-55.1999090863	9.52681931937	-5.16918012109
44	7.07666997725	-7.6670978823	-5.80535472524	9.46441460254	5.33890394567	5.56144670172	-0.385245921144	-0.426060071185	-0.150071328217	0.538667549553	0.299792987012	0.355427173901	0.292063894052	0.277222991057	0.0399304348648	0.148927996572	-0.00949161054964	0.010309887423	0.115670408133	-0.00405045199074	0.146672261882	-58.3026839446	7.16675845667	4.83372224981
45	4.63092914406	0.731245504833	-3.90943770238	1.30547499661	-0.55220552269	3.30886170799	0.0042014571375	-0.844528490342	0.548168448494	1.19758200916	0.446914502983	0.804072519622	-1.49166888791	-1.03973655083	-0.368471052016	0.325484523519	0.0660635213847	0.0891575797274	0.376159466341	-0.0617643360869	0.252737512621	-72.4103528317	17.8948657871	11.0870356067
46	5.29658198552	-6.67394098986	-6.57678727131	8.38108594339	8.12595245825	8.48375816174	-0.0543288830729	0.14981134263	-0.168694727748	0.213189295197	-0.0690245069104	0.104709251725	0.288576823164	-0.164672760801	0.0788479652325	0.175653512812	-0.00416780717911	0.00334210480381	0.144579023357	-0.0111289470338	0.165271268748	-60.4854515799	3.79321858799	4.31562939668
47	6.68895475461	-2.33255051187	3.90313060465	2.29283634015	-1.64940581758	7.42419549744	-0.845969635851	-0.555654110383	0.234855323254	0.616081080385	-0.0162117533406	-0.499860376485	-1.19507916417	0.190861228781	0.844145581378	0.341475144005	0.000308414236567	-0.14747706887	0.202034367695	0.013382862147	0.298921121248	-31.2463349179	-9.23869599491	0.802819620109
48	8.5247264926	-0.569556871279	-0.473318226482	1.10471760138	-2.21513152302	6.13446382176	-0.0230675558561	0.106625246029	0.332481501737	-0.00704291603549	0.0189177943795	0.00367754400981	-0.299815173365	-0.162194994301	0.22210459436	0.216942336258	0.025311632007	0.000649313672021	0.149048238337	-0.0820584080288	0.195372955279	-41.9286551724	-10.5171500013	-11.5398794293
49	8.83755406165	-2.48846380308	4.39300163861	2.18918335301	-2.69766609246	7.19878334761	-0.317854098771	0.191036303377	-0.313695269092	-0.0317133425108	-0.0562515042955	-0.0793306729647	-0.029258055942	0.567734189451	0.311652073615	0.149869589356	0.00705487401355	0.0402834050714	0.114139374776	0.036694485152	0.221067879747	-33.9825482784	-15.9608250436	-3.30795829969
50	4.43300128877	0.959823107024	2.9176878911	2.18588083837	0.934923435983	2.29592625001	-0.0177805632989	0.126057129415	-0.507365248567	0.110549466217	0.176397701327	0.168883267602	-0.210557268495	0.625877650307	-0.190731501907	0.281387223669	-0.00877565721966	-0.037829050907	0.387089930716	0.124623520888	0.264962185148	-22.8160679676	-20.4966081108	4.43617298682
51	2.96414476445	-0.325772404242	3.38976001703	8.58803221642	-2.24803158787	4.25209814288	0.0266775314588	-1.04631684615	-0.910528733926	0.208172696592	0.19728272209	0.309993765708	0.12728263083	-0.150947411113	-0.243214902172	0.174408852581	0.0109899735877	-0.00930125046481	0.225705214015	0.0714729669907	0.25120096929	-41.8823114773	-17.3897544566	3.76858732303
52	2.43862591406	-0.512376433689	-3.55140878938	5.16794103617	-1.53853359086	6.19355604418	-0.192062045648	-0.410111943328	-0.0996744468916	0.0238059378489	0.825828982773	1.30284245227	-0.69785091745	-0.458204297704	-0.631299858568	0.268510459887	0.0375797287326	0.0827371851631	0.323834003754	0.0659568910553	0.482585504625	-57.5860437322	-9.6365246619	3.11428064013
53	8.59895042338	-1.6278147696	-5.39031776726	1.72742728276	1.67213907751	5.79519072151	-0.089947677132	-0.529140283799	-1.78775186251	0.0452946233352	0.0699893903985	0.978596078331	0.355306897759	-0.308407567256	0.0252269247856	0.279910525052	-0.0584694890412	-0.00518759552167	0.199670535823	-0.00438224282253	0.486334634719	-47.7941330848	-18.388112247	1.14948314861
54	5.69191164599	-2.1619676612	2.11362647938	5.69335898171	0.200421744509	6.56230519384	0.141184662211	0.325052557345	-0.723337289617	-0.123682688181	-0.0436812700004	0.00749051565129	0.310864674892	0.906263396817	-0.0606748018753	0.235870695133	0.0842615202774	0.0236057439936	0.15392896616	-0.0164916174619	0.34306644976	-30.9312054895	-24.5201198133	-3.81844472635
55	8.81101676191	-5.74690109457	2.44104738256	6.6956249719	-0.719110852495	2.95558406146	0.158661613282	0.192287030302	-0.484381559761	-0.158385657453	-0.207206677222	0.351476210604	0.0814281837025	0.068690148887	0.0340580761786	0.142774244791	-0.0357521791233	0.00740988372227	0.159023992955	0.00604367584741	0.158426844775	-42.1745035048	-16.3869468259	-5.20746586932
56	7.53825151118	-7.76727156742	5.84245801542	8.57185615441	-4.93996552382	6.27773378244	-0.461325578357	-0.632452950405	-0.448967330804	0.500468999477	0.329978048901	0.308084233793	-0.158910471991	-0.279170327328	0.0015967610435	0.147890940999	0.00734494928169	0.0161285596241	0.131396465799	0.0391794256109	0.194076510657	-40.3095330772	-14.4485222183	5.15880555912
57	2.89287688983	0.81630950347	0.906329820743	3.88501367721	-3.31537980307	3.77552374277	-0.0485386109075	-0.886970480982	0.183486820524	0.551373960548	0.00673391319839	-1.12017574442	0.585004844038	1.64695514043	-0.0936979356822	0.375239386937	0.0838968994204	-0.126057473382	0.506990922441	0.0497634203491	0.396884073464	-25.9208036016	-24.4141673459	11.8516995115
58	8.27013944219	-7.21223243149	5.53587670672	7.4866167271	-5.38132059142	7.1607715572	-0.823243045809	-0.635034379627	0.457933675794	0.545414042984	0.229878702959	-0.624236610833	-0.511981589033	-0.27598800802	0.28028735585	0.202480667869	0.00420531872237	-0.0110662808875	0.22156646408	-0.0242967871076	0.201827082289	-38.2842432595	-10.9520005855	5.02228231638
59	2.49955271948	-0.956849638588	-0.385810156066	4.89369780587	1.78627349916	3.85095670196	-0.0969252594555	0.1552638254	-0.22995983082	0.186805404025	-0.0892220987778	0.340506376136	0.43252743079	-0.224825225681	0.1575555423	0.120980443655	-0.0443818609488	0.00790765258288	0.100526441446	-0.0267518145872	0.161706389388	-2.83828109762	-37.6991967879	-22.3336393948
60	4.82639809051	-1.78268351873	-1.71453358594	4.56640650005	1.67025507543	3.03635825558	-0.106485776367	0.196071347598	-0.0930718984716	0.221965438351	0.101738238552	-0.242143476378	0.257182675789	0.124364287438	-0.0220970131256	0.141419041248	-0.015618509376	0.00496280348307	0.164920624014	-0.0143967167451	0.109141109172	4.5312655833	-35.6098407318	-27.3914746049
61	6.05583669971	-1.1644514956	-0.209380108223	3.22535556874	-1.06968074761	4.51332758026	0.218453196063	0.157098127116	1.04074052187	0.141278284867	0.0599555641576	0.348849363244	-0.562400648358	-0.831011583557	0.149678251984	0.25875283629	0.0394103956891	-0.031491109896	0.228209603969	0.0351037196338	0.310475292688	-8.15725917271	-18.9261257998	-27.3022039295
62	6.23162024297	-2.18622189344	-1.25616755925	2.5409568686	1.08302373235	2.15138920864	0.00150268492833	0.141611471966	0.0724089657525	0.111417845159	-0.0293281076479	-0.122674444441	0.141958610991	-0.0710889839876	0.0514184870552	0.123196647056	0.00797777031215	-0.00736853334951	0.122122676821	-0.0166136240212	0.0774141908295	3.09033930791	-31.5221969326	-19.1030789387
63	4.54623811926	-5.09537309487	-3.27530704211	5.65475149064	3.0178978829	4.32013487683	0.24702502637	0.728336606539	0.281533327942	-0.26249014051	-0.132623034975	-0.299026051084	-0.0368528162454	-0.185243933805	-0.166409495081	0.116376679398	0.00425526092538	-0.0132970372245	0.210910762484	-0.0338292724572	0.125188633121	-1.72591129544	-30.5538711734	-29.4696043022
64	3.06666845908	-2.43040411543	-3.3003243532	3.29788207787	1.32588741102	4.6283182248	-0.0214846473946	0.286386076357	0.293174394612	-0.150319918839	0.10249116914	-0.247054128124	0.44522321333	-0.146011017793	0.0622657388835	0.203849794815	-0.000267461343033	0.00435948120171	0.185870883305	-0.0634467115782	0.138790772882	0.992798275721	-35.7159077446	-31.1473250921
65	5.43514104862	-5.58784372121	6.11374992634	9.00793522713	-7.86135036899	7.77747673324	-0.00980792258574	0.245284913435	0.339387597531	0.441900865901	-0.101843960775	-0.522623553503	-0.899413223274	1.07079989529	0.24128626026	0.168119684225	-0.076009942041	0.0316243408389	0.298860406592	-0.0251776103188	0.333442411374	-23.4233509328	-10.9226940478	-22.3445996112
66	5.44633736716	-2.91914829847	3.18850080537	3.51661696701	0.165472861367	3.7432027243	0.0672770450024	0.199973413279	0.45422434882	-0.0665211127473	0.0243771470119	-0.248173810455	-0.931768101079	0.405959405965	0.139874662799	0.23529907506	-0.0588244596516	0.0610357644057	0.14563951533	0.00907025246124	0.245441512215	-28.8058059149	-8.4394143001	-25.0136748023
67	3.13807214655	-3.36068513977	-0.86521504904	6.14950467989	1.34366055292	4.02504103836	-0.174200857259	-0.860329072413	-0.191787827974	0.606985247932	0.239525303227	-0.776745162059	0.0970027922863	0.805017296482	-0.177015679929	0.189598514912	0.0701605578382	-0.00283401789794	0.328544472384	-0.0347730172623	0.27064826468	-22.7587284263	-22.1065751104	-12.7290998043
68	3.01425255026	-1.45138460514	1.33264344858	1.29871232251	-0.983650049232	3.80332628387	-0.0169693259459	0.00812543258911	0.364593205288	0.117767840219	-0.0427200990404	-0.0641483557998	-0.515423762654	-0.000615890438391	0.0075769805509	0.161858444079	-2.07214148045E-5	0.0245279629812	0.0984697408091	-0.017806836937	0.200847056053	-34.2622928946	-10.8206204995	-21.4177923538
69	2.00851799383	1.76586960581	0.271832672984	2.00268452744	-0.802135988405	2.47353216868	0.16127474755	0.411235341188	-0.0264538594251	-0.152272651008	-0.00141858952873	0.00259731093628	0.185636406992	0.251513945266	-0.240275807968	0.130098995165	0.0265756009018	-0.0136725376807	0.164861323127	-0.00310779021526	0.124015804696	-30.774076859	-21.8214828138	-27.3792215682
70	5.56396865768	-0.247465421003	-2.09071047049	3.24658091576	2.14625583663	4.90617333887	0.470171422685	-0.111109612758	-1.12118391495	0.544206516309	0.332349694417	-0.532493996055	0.305521180794	1.44507786285	-0.358496657872	0.275461307535	0.108718016424	-0.100881561967	0.387408358566	-0.141794773085	0.320115534866	-18.0971222963	-34.4120093417	-29.455807711
71	7.83565044785	-3.62425272406	-3.0491231289	3.8433999322	2.10168381967	5.42620064668	-0.145463958718	0.135434620073	-0.269410354395	0.163424257994	0.0238529433679	0.344706181456	0.222771107699	-0.144014264138	0.0715806198927	0.103442168496	-0.0419018906269	0.0100134764305	0.107887129736	0.00320618587776	0.103671751622	-35.7925924796	-20.0793934391	-21.2158953679
72	7.03344229085	-3.88778679451	-0.158377476125	6.06446191858	-1.44040676317	2.75858669709	-0.184217770082	-0.273342287125	-0.302054798688	0.222127064747	0.129588147796	0.094996319586	-0.0350615149959	0.236146825403	0.0764656887954	0.106350983839	-0.0251352345605	-0.0054477554281	0.10871919316	-0.0151583503576	0.0803037711313	-29.6434462408	-22.8064894449	-18.505610608
73	5.22760180287	-1.31195326623	3.28172883751	3.74021464164	-3.34599895753	4.92516840502	0.0681059939809	0.613675479024	0.177403609139	-0.0676260432783	-0.125516209162	0.121478672129	-0.0525785474907	0.213715687072	-0.142720312791	0.120129059096	0.00155338399182	0.0325955253704	0.108011905678	-0.031334985135	0.145767728947	-28.4716981261	-19.4174205445	-28.5637407403
74	1.61749662084	1.08434413013	1.12737300043	4.40624146801	4.1634292501	3.94782747697	0.165491396803	0.532657115905	1.26866469345	-0.755629950138	0.299970414976	0.283313685562	-1.88455228745	-0.553684834361	-0.29891069694	0.383083015995	0.102981105134	0.0319249082973	0.237119938508	0.0982645170912	0.350135462887	-42.3978201998	-7.54434076671	-33.4307419108
75	5.04414021818	-6.54439240416	6.49666603507	8.72081804183	-8.5181988791	8.88535602292	-0.0191177896234	-0.0244855108175	0.200388360099	-0.0258124561085	0.00647272489007	-0.222222588298	-0.0470318612909	0.0105049204814	-0.0830796958265	0.183269999098	-0.00467653025456	0.0293464791822	0.17430873054	-0.0264919522058	0.215848454333	-25.6182653287	-16.5882219889	-28.3709807688
76	4.63998187055	4.48277680598	5.10345131551	7.855052664	3.76387448347	6.20693772892	0.0590902379713	-0.452504499229	0.247939633134	-0.0814912250645	-0.596804370058	0.645834692042	-0.628065869985	-0.71694147301	0.482235785131	0.238761006492	0.000558333841986	0.0405625732535	0.305717342329	-0.074512507525	0.22176378204	-9.28326499923	18.6012712087	-50.3280097818
77	3.51446760025	1.58655925881	2.86219010646	3.8563040078	2.24532889675	3.29948951344	-0.0900311499605	-0.142357567936	0.957272314437	0.156254063715	0.299636286191	0.144099179416	-1.13595253675	-0.13768486479	0.164309790874	0.342901858223	-0.0194073674071	0.0469877473874	0.217083835071	-0.121527371682	0.310736938957	-3.9163672225	20.7244281971	-48.2299262489
78	5.88040544558	3.17487793669	2.90928890418	6.92572412708	3.63700777914	7.13897012666	-0.220973016506	-0.0455654644918	0.178561199088	-0.415409844055	0.220778753529	-0.202749197806	-0.50752407186	-0.281534418676	0.0379575436342	0.127298982864	0.0149424227215	0.0149158074385	0.146958484515	0.0289541424341	0.1479353562	-5.04769954646	13.2065310974	-56.9614038805
79	1.85530588512	0.130220121364	-0.910369981707	2.03916903295	-0.912948816348	4.0563172436	0.390668876202	-0.292470350602	1.03095173245	0.258539975642	0.0641470545372	0.0659792609757	-0.851466944273	0.207109836914	0.845049628448	0.347596815136	-0.482024597938	-0.168306129159	-0.178897492837	-0.262762953422	0.452505043909	6.89888947466	23.8282228276	-48.0050840516
80	4.54733154921	2.44134401693	3.21442952653	2.73812899065	2.57794603056	3.67530802251	0.239336641727	-1.38933982205	-0.762796951889	0.10439718519	-0.447425663705	-0.376308381532	0.075478422767	-0.0543769551067	0.0392176771527	0.156997334945	-0.0654701663565	-0.00983908610911	0.273339426713	0.016349640749	0.205162478425	-2.59605304489	6.77249316562	-47.7544211685
81	6.2469587528	3.17780300854	0.359796968568	2.05810917846	-0.131632848049	3.8510344732	-0.11925207468	-0.594538922626	-1.19443919348	0.00283343244093	0.228395706882	-0.808481667535	0.0951565481739	-0.363722091647	-0.132319546786	0.267964504972	-0.0846388664565	0.0243663485603	0.398971022188	0.14098462698	0.490115454392	-16.3048889862	-4.21403162198	-46.6315246658

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'E' and (resid 78 through 82 )
2	X-RAY DIFFRACTION	2	chain 'E' and (resid 83 through 89 )
3	X-RAY DIFFRACTION	3	chain 'E' and (resid 90 through 101 )
4	X-RAY DIFFRACTION	4	chain 'E' and (resid 102 through 110 )
5	X-RAY DIFFRACTION	5	chain 'E' and (resid 111 through 115 )
6	X-RAY DIFFRACTION	6	chain 'E' and (resid 116 through 125 )
7	X-RAY DIFFRACTION	7	chain 'F' and (resid 20 through 36 )
8	X-RAY DIFFRACTION	8	chain 'F' and (resid 37 through 42 )
9	X-RAY DIFFRACTION	9	chain 'F' and (resid 43 through 53 )
10	X-RAY DIFFRACTION	10	chain 'F' and (resid 54 through 61 )
11	X-RAY DIFFRACTION	11	chain 'F' and (resid 62 through 69 )
12	X-RAY DIFFRACTION	12	chain 'F' and (resid 70 through 89 )
13	X-RAY DIFFRACTION	13	chain 'F' and (resid 90 through 101 )
14	X-RAY DIFFRACTION	14	chain 'F' and (resid 102 through 110 )
15	X-RAY DIFFRACTION	15	chain 'F' and (resid 111 through 115 )
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 116 through 125 )
17	X-RAY DIFFRACTION	17	chain 'G' and (resid 20 through 27 )
18	X-RAY DIFFRACTION	18	chain 'G' and (resid 28 through 36 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 37 through 42 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 43 through 53 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 54 through 61 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid 62 through 69 )
23	X-RAY DIFFRACTION	23	chain 'G' and (resid 70 through 77 )
24	X-RAY DIFFRACTION	24	chain 'G' and (resid 78 through 82 )
25	X-RAY DIFFRACTION	25	chain 'G' and (resid 83 through 89 )
26	X-RAY DIFFRACTION	26	chain 'G' and (resid 90 through 101 )
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 102 through 110 )
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 111 through 115 )
29	X-RAY DIFFRACTION	29	chain 'G' and (resid 116 through 125 )
30	X-RAY DIFFRACTION	30	chain 'H' and (resid 20 through 53 )
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 54 through 69 )
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 70 through 82 )
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 83 through 101 )
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 102 through 125 )
35	X-RAY DIFFRACTION	35	chain 'A' and (resid 20 through 27 )
36	X-RAY DIFFRACTION	36	chain 'A' and (resid 28 through 36 )
37	X-RAY DIFFRACTION	37	chain 'A' and (resid 37 through 53 )
38	X-RAY DIFFRACTION	38	chain 'A' and (resid 54 through 61 )
39	X-RAY DIFFRACTION	39	chain 'A' and (resid 62 through 69 )
40	X-RAY DIFFRACTION	40	chain 'A' and (resid 70 through 77 )
41	X-RAY DIFFRACTION	41	chain 'A' and (resid 78 through 82 )
42	X-RAY DIFFRACTION	42	chain 'A' and (resid 83 through 89 )
43	X-RAY DIFFRACTION	43	chain 'A' and (resid 90 through 101 )
44	X-RAY DIFFRACTION	44	chain 'A' and (resid 102 through 110 )
45	X-RAY DIFFRACTION	45	chain 'A' and (resid 111 through 115 )
46	X-RAY DIFFRACTION	46	chain 'A' and (resid 116 through 125 )
47	X-RAY DIFFRACTION	47	chain 'B' and (resid 20 through 36 )
48	X-RAY DIFFRACTION	48	chain 'B' and (resid 37 through 42 )
49	X-RAY DIFFRACTION	49	chain 'B' and (resid 43 through 53 )
50	X-RAY DIFFRACTION	50	chain 'B' and (resid 54 through 61 )
51	X-RAY DIFFRACTION	51	chain 'B' and (resid 62 through 69 )
52	X-RAY DIFFRACTION	52	chain 'B' and (resid 70 through 77 )
53	X-RAY DIFFRACTION	53	chain 'B' and (resid 78 through 82 )
54	X-RAY DIFFRACTION	54	chain 'B' and (resid 83 through 89 )
55	X-RAY DIFFRACTION	55	chain 'B' and (resid 90 through 101 )
56	X-RAY DIFFRACTION	56	chain 'B' and (resid 102 through 110 )
57	X-RAY DIFFRACTION	57	chain 'B' and (resid 111 through 115 )
58	X-RAY DIFFRACTION	58	chain 'B' and (resid 116 through 125 )
59	X-RAY DIFFRACTION	59	chain 'C' and (resid 20 through 53 )
60	X-RAY DIFFRACTION	60	chain 'C' and (resid 54 through 69 )
61	X-RAY DIFFRACTION	61	chain 'C' and (resid 70 through 82 )
62	X-RAY DIFFRACTION	62	chain 'C' and (resid 83 through 101 )
63	X-RAY DIFFRACTION	63	chain 'C' and (resid 102 through 110 )
64	X-RAY DIFFRACTION	64	chain 'C' and (resid 111 through 125 )
65	X-RAY DIFFRACTION	65	chain 'D' and (resid 20 through 27 )
66	X-RAY DIFFRACTION	66	chain 'D' and (resid 28 through 36 )
67	X-RAY DIFFRACTION	67	chain 'D' and (resid 37 through 42 )
68	X-RAY DIFFRACTION	68	chain 'D' and (resid 43 through 61 )
69	X-RAY DIFFRACTION	69	chain 'D' and (resid 62 through 69 )
70	X-RAY DIFFRACTION	70	chain 'D' and (resid 70 through 77 )
71	X-RAY DIFFRACTION	71	chain 'D' and (resid 78 through 89 )
72	X-RAY DIFFRACTION	72	chain 'D' and (resid 90 through 101 )
73	X-RAY DIFFRACTION	73	chain 'D' and (resid 102 through 110 )
74	X-RAY DIFFRACTION	74	chain 'D' and (resid 111 through 115 )
75	X-RAY DIFFRACTION	75	chain 'D' and (resid 116 through 125 )
76	X-RAY DIFFRACTION	76	chain 'E' and (resid 20 through 27 )
77	X-RAY DIFFRACTION	77	chain 'E' and (resid 28 through 36 )
78	X-RAY DIFFRACTION	78	chain 'E' and (resid 37 through 53 )
79	X-RAY DIFFRACTION	79	chain 'E' and (resid 54 through 61 )
80	X-RAY DIFFRACTION	80	chain 'E' and (resid 62 through 69 )
81	X-RAY DIFFRACTION	81	chain 'E' and (resid 70 through 77 )