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- PDB-6c50: Cross-alpha Amyloid-like Structure alphaAmS -

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Basic information

Entry
Database: PDB / ID: 6c50
TitleCross-alpha Amyloid-like Structure alphaAmS
ComponentsCross-alpha Amyloid-like Structure alphaAmS
KeywordsDE NOVO PROTEIN / Protein Design / Cross-alpha Amyloid
Function / homologyFORMIC ACID
Function and homology information
Biological speciessynthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.503 Å
AuthorsLiu, L. / Zhang, S.Q.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)R35GM122603 United States
CitationJournal: Nat. Chem. Biol. / Year: 2018
Title: Designed peptides that assemble into cross-alpha amyloid-like structures.
Authors: Zhang, S.Q. / Huang, H. / Yang, J. / Kratochvil, H.T. / Lolicato, M. / Liu, Y. / Shu, X. / Liu, L. / DeGrado, W.F.
History
DepositionJan 13, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 15, 2018Provider: repository / Type: Initial release
Revision 1.1Aug 29, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2Dec 18, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Nov 13, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A1: Cross-alpha Amyloid-like Structure alphaAmS
A2: Cross-alpha Amyloid-like Structure alphaAmS
A3: Cross-alpha Amyloid-like Structure alphaAmS
A4: Cross-alpha Amyloid-like Structure alphaAmS
B1: Cross-alpha Amyloid-like Structure alphaAmS
B2: Cross-alpha Amyloid-like Structure alphaAmS
B3: Cross-alpha Amyloid-like Structure alphaAmS
B4: Cross-alpha Amyloid-like Structure alphaAmS
C1: Cross-alpha Amyloid-like Structure alphaAmS
C2: Cross-alpha Amyloid-like Structure alphaAmS
C3: Cross-alpha Amyloid-like Structure alphaAmS
C4: Cross-alpha Amyloid-like Structure alphaAmS
D1: Cross-alpha Amyloid-like Structure alphaAmS
D2: Cross-alpha Amyloid-like Structure alphaAmS
D3: Cross-alpha Amyloid-like Structure alphaAmS
D4: Cross-alpha Amyloid-like Structure alphaAmS
E1: Cross-alpha Amyloid-like Structure alphaAmS
E2: Cross-alpha Amyloid-like Structure alphaAmS
E3: Cross-alpha Amyloid-like Structure alphaAmS
E4: Cross-alpha Amyloid-like Structure alphaAmS
F1: Cross-alpha Amyloid-like Structure alphaAmS
F2: Cross-alpha Amyloid-like Structure alphaAmS
F3: Cross-alpha Amyloid-like Structure alphaAmS
F4: Cross-alpha Amyloid-like Structure alphaAmS
G1: Cross-alpha Amyloid-like Structure alphaAmS
G2: Cross-alpha Amyloid-like Structure alphaAmS
G3: Cross-alpha Amyloid-like Structure alphaAmS
G4: Cross-alpha Amyloid-like Structure alphaAmS
H1: Cross-alpha Amyloid-like Structure alphaAmS
H2: Cross-alpha Amyloid-like Structure alphaAmS
H3: Cross-alpha Amyloid-like Structure alphaAmS
H4: Cross-alpha Amyloid-like Structure alphaAmS
I1: Cross-alpha Amyloid-like Structure alphaAmS
I2: Cross-alpha Amyloid-like Structure alphaAmS
I3: Cross-alpha Amyloid-like Structure alphaAmS
I4: Cross-alpha Amyloid-like Structure alphaAmS
J1: Cross-alpha Amyloid-like Structure alphaAmS
J2: Cross-alpha Amyloid-like Structure alphaAmS
J3: Cross-alpha Amyloid-like Structure alphaAmS
J4: Cross-alpha Amyloid-like Structure alphaAmS
K1: Cross-alpha Amyloid-like Structure alphaAmS
K2: Cross-alpha Amyloid-like Structure alphaAmS
K3: Cross-alpha Amyloid-like Structure alphaAmS
K4: Cross-alpha Amyloid-like Structure alphaAmS
L1: Cross-alpha Amyloid-like Structure alphaAmS
L2: Cross-alpha Amyloid-like Structure alphaAmS
L3: Cross-alpha Amyloid-like Structure alphaAmS
L4: Cross-alpha Amyloid-like Structure alphaAmS
M1: Cross-alpha Amyloid-like Structure alphaAmS
M2: Cross-alpha Amyloid-like Structure alphaAmS
M3: Cross-alpha Amyloid-like Structure alphaAmS
M4: Cross-alpha Amyloid-like Structure alphaAmS
N1: Cross-alpha Amyloid-like Structure alphaAmS
N2: Cross-alpha Amyloid-like Structure alphaAmS
N3: Cross-alpha Amyloid-like Structure alphaAmS
N4: Cross-alpha Amyloid-like Structure alphaAmS
O1: Cross-alpha Amyloid-like Structure alphaAmS
O2: Cross-alpha Amyloid-like Structure alphaAmS
O3: Cross-alpha Amyloid-like Structure alphaAmS
O4: Cross-alpha Amyloid-like Structure alphaAmS
P1: Cross-alpha Amyloid-like Structure alphaAmS
P2: Cross-alpha Amyloid-like Structure alphaAmS
P3: Cross-alpha Amyloid-like Structure alphaAmS
P4: Cross-alpha Amyloid-like Structure alphaAmS
Q1: Cross-alpha Amyloid-like Structure alphaAmS
Q2: Cross-alpha Amyloid-like Structure alphaAmS
Q3: Cross-alpha Amyloid-like Structure alphaAmS
Q4: Cross-alpha Amyloid-like Structure alphaAmS
R1: Cross-alpha Amyloid-like Structure alphaAmS
R2: Cross-alpha Amyloid-like Structure alphaAmS
R3: Cross-alpha Amyloid-like Structure alphaAmS
R4: Cross-alpha Amyloid-like Structure alphaAmS
S1: Cross-alpha Amyloid-like Structure alphaAmS
S2: Cross-alpha Amyloid-like Structure alphaAmS
S3: Cross-alpha Amyloid-like Structure alphaAmS
S4: Cross-alpha Amyloid-like Structure alphaAmS
T1: Cross-alpha Amyloid-like Structure alphaAmS
T2: Cross-alpha Amyloid-like Structure alphaAmS
T3: Cross-alpha Amyloid-like Structure alphaAmS
T4: Cross-alpha Amyloid-like Structure alphaAmS
U1: Cross-alpha Amyloid-like Structure alphaAmS
U2: Cross-alpha Amyloid-like Structure alphaAmS
U3: Cross-alpha Amyloid-like Structure alphaAmS
U4: Cross-alpha Amyloid-like Structure alphaAmS
V1: Cross-alpha Amyloid-like Structure alphaAmS
V2: Cross-alpha Amyloid-like Structure alphaAmS
V3: Cross-alpha Amyloid-like Structure alphaAmS
V4: Cross-alpha Amyloid-like Structure alphaAmS
W1: Cross-alpha Amyloid-like Structure alphaAmS
W2: Cross-alpha Amyloid-like Structure alphaAmS
W3: Cross-alpha Amyloid-like Structure alphaAmS
W4: Cross-alpha Amyloid-like Structure alphaAmS
X1: Cross-alpha Amyloid-like Structure alphaAmS
X2: Cross-alpha Amyloid-like Structure alphaAmS
X3: Cross-alpha Amyloid-like Structure alphaAmS
X4: Cross-alpha Amyloid-like Structure alphaAmS
Y1: Cross-alpha Amyloid-like Structure alphaAmS
Y2: Cross-alpha Amyloid-like Structure alphaAmS
Y3: Cross-alpha Amyloid-like Structure alphaAmS
Y4: Cross-alpha Amyloid-like Structure alphaAmS
Z1: Cross-alpha Amyloid-like Structure alphaAmS
Z2: Cross-alpha Amyloid-like Structure alphaAmS
Z3: Cross-alpha Amyloid-like Structure alphaAmS
Z4: Cross-alpha Amyloid-like Structure alphaAmS
11: Cross-alpha Amyloid-like Structure alphaAmS
12: Cross-alpha Amyloid-like Structure alphaAmS
13: Cross-alpha Amyloid-like Structure alphaAmS
14: Cross-alpha Amyloid-like Structure alphaAmS
21: Cross-alpha Amyloid-like Structure alphaAmS
22: Cross-alpha Amyloid-like Structure alphaAmS
23: Cross-alpha Amyloid-like Structure alphaAmS
24: Cross-alpha Amyloid-like Structure alphaAmS
31: Cross-alpha Amyloid-like Structure alphaAmS
32: Cross-alpha Amyloid-like Structure alphaAmS
33: Cross-alpha Amyloid-like Structure alphaAmS
34: Cross-alpha Amyloid-like Structure alphaAmS
41: Cross-alpha Amyloid-like Structure alphaAmS
42: Cross-alpha Amyloid-like Structure alphaAmS
43: Cross-alpha Amyloid-like Structure alphaAmS
44: Cross-alpha Amyloid-like Structure alphaAmS
51: Cross-alpha Amyloid-like Structure alphaAmS
52: Cross-alpha Amyloid-like Structure alphaAmS
53: Cross-alpha Amyloid-like Structure alphaAmS
54: Cross-alpha Amyloid-like Structure alphaAmS
61: Cross-alpha Amyloid-like Structure alphaAmS
62: Cross-alpha Amyloid-like Structure alphaAmS
63: Cross-alpha Amyloid-like Structure alphaAmS
64: Cross-alpha Amyloid-like Structure alphaAmS
71: Cross-alpha Amyloid-like Structure alphaAmS
72: Cross-alpha Amyloid-like Structure alphaAmS
73: Cross-alpha Amyloid-like Structure alphaAmS
74: Cross-alpha Amyloid-like Structure alphaAmS
81: Cross-alpha Amyloid-like Structure alphaAmS
82: Cross-alpha Amyloid-like Structure alphaAmS
83: Cross-alpha Amyloid-like Structure alphaAmS
84: Cross-alpha Amyloid-like Structure alphaAmS
91: Cross-alpha Amyloid-like Structure alphaAmS
92: Cross-alpha Amyloid-like Structure alphaAmS
93: Cross-alpha Amyloid-like Structure alphaAmS
94: Cross-alpha Amyloid-like Structure alphaAmS
a1: Cross-alpha Amyloid-like Structure alphaAmS
a2: Cross-alpha Amyloid-like Structure alphaAmS
a3: Cross-alpha Amyloid-like Structure alphaAmS
a4: Cross-alpha Amyloid-like Structure alphaAmS
b1: Cross-alpha Amyloid-like Structure alphaAmS
b2: Cross-alpha Amyloid-like Structure alphaAmS
b3: Cross-alpha Amyloid-like Structure alphaAmS
b4: Cross-alpha Amyloid-like Structure alphaAmS
c1: Cross-alpha Amyloid-like Structure alphaAmS
c2: Cross-alpha Amyloid-like Structure alphaAmS
c3: Cross-alpha Amyloid-like Structure alphaAmS
c4: Cross-alpha Amyloid-like Structure alphaAmS
d1: Cross-alpha Amyloid-like Structure alphaAmS
d2: Cross-alpha Amyloid-like Structure alphaAmS
d3: Cross-alpha Amyloid-like Structure alphaAmS
d4: Cross-alpha Amyloid-like Structure alphaAmS
e1: Cross-alpha Amyloid-like Structure alphaAmS
e2: Cross-alpha Amyloid-like Structure alphaAmS
e3: Cross-alpha Amyloid-like Structure alphaAmS
e4: Cross-alpha Amyloid-like Structure alphaAmS
f1: Cross-alpha Amyloid-like Structure alphaAmS
f2: Cross-alpha Amyloid-like Structure alphaAmS
f3: Cross-alpha Amyloid-like Structure alphaAmS
f4: Cross-alpha Amyloid-like Structure alphaAmS
g1: Cross-alpha Amyloid-like Structure alphaAmS
g2: Cross-alpha Amyloid-like Structure alphaAmS
g3: Cross-alpha Amyloid-like Structure alphaAmS
g4: Cross-alpha Amyloid-like Structure alphaAmS
h1: Cross-alpha Amyloid-like Structure alphaAmS
h2: Cross-alpha Amyloid-like Structure alphaAmS
h3: Cross-alpha Amyloid-like Structure alphaAmS
h4: Cross-alpha Amyloid-like Structure alphaAmS
i1: Cross-alpha Amyloid-like Structure alphaAmS
i2: Cross-alpha Amyloid-like Structure alphaAmS
i3: Cross-alpha Amyloid-like Structure alphaAmS
i4: Cross-alpha Amyloid-like Structure alphaAmS
j1: Cross-alpha Amyloid-like Structure alphaAmS
j2: Cross-alpha Amyloid-like Structure alphaAmS
j3: Cross-alpha Amyloid-like Structure alphaAmS
j4: Cross-alpha Amyloid-like Structure alphaAmS
k1: Cross-alpha Amyloid-like Structure alphaAmS
k2: Cross-alpha Amyloid-like Structure alphaAmS
k3: Cross-alpha Amyloid-like Structure alphaAmS
k4: Cross-alpha Amyloid-like Structure alphaAmS
l1: Cross-alpha Amyloid-like Structure alphaAmS
l2: Cross-alpha Amyloid-like Structure alphaAmS
l3: Cross-alpha Amyloid-like Structure alphaAmS
l4: Cross-alpha Amyloid-like Structure alphaAmS
m1: Cross-alpha Amyloid-like Structure alphaAmS
m2: Cross-alpha Amyloid-like Structure alphaAmS
m3: Cross-alpha Amyloid-like Structure alphaAmS
m4: Cross-alpha Amyloid-like Structure alphaAmS
n1: Cross-alpha Amyloid-like Structure alphaAmS
n2: Cross-alpha Amyloid-like Structure alphaAmS
n3: Cross-alpha Amyloid-like Structure alphaAmS
n4: Cross-alpha Amyloid-like Structure alphaAmS
o1: Cross-alpha Amyloid-like Structure alphaAmS
o2: Cross-alpha Amyloid-like Structure alphaAmS
o3: Cross-alpha Amyloid-like Structure alphaAmS
o4: Cross-alpha Amyloid-like Structure alphaAmS
p1: Cross-alpha Amyloid-like Structure alphaAmS
p2: Cross-alpha Amyloid-like Structure alphaAmS
p3: Cross-alpha Amyloid-like Structure alphaAmS
p4: Cross-alpha Amyloid-like Structure alphaAmS
q1: Cross-alpha Amyloid-like Structure alphaAmS
q2: Cross-alpha Amyloid-like Structure alphaAmS
q3: Cross-alpha Amyloid-like Structure alphaAmS
q4: Cross-alpha Amyloid-like Structure alphaAmS
r1: Cross-alpha Amyloid-like Structure alphaAmS
r2: Cross-alpha Amyloid-like Structure alphaAmS
r3: Cross-alpha Amyloid-like Structure alphaAmS
r4: Cross-alpha Amyloid-like Structure alphaAmS
s1: Cross-alpha Amyloid-like Structure alphaAmS
s2: Cross-alpha Amyloid-like Structure alphaAmS
s3: Cross-alpha Amyloid-like Structure alphaAmS
s4: Cross-alpha Amyloid-like Structure alphaAmS
t1: Cross-alpha Amyloid-like Structure alphaAmS
t2: Cross-alpha Amyloid-like Structure alphaAmS
t3: Cross-alpha Amyloid-like Structure alphaAmS
t4: Cross-alpha Amyloid-like Structure alphaAmS
u1: Cross-alpha Amyloid-like Structure alphaAmS
u2: Cross-alpha Amyloid-like Structure alphaAmS
u3: Cross-alpha Amyloid-like Structure alphaAmS
u4: Cross-alpha Amyloid-like Structure alphaAmS
v1: Cross-alpha Amyloid-like Structure alphaAmS
v2: Cross-alpha Amyloid-like Structure alphaAmS
v3: Cross-alpha Amyloid-like Structure alphaAmS
v4: Cross-alpha Amyloid-like Structure alphaAmS
w1: Cross-alpha Amyloid-like Structure alphaAmS
w2: Cross-alpha Amyloid-like Structure alphaAmS
w3: Cross-alpha Amyloid-like Structure alphaAmS
w4: Cross-alpha Amyloid-like Structure alphaAmS
x1: Cross-alpha Amyloid-like Structure alphaAmS
x2: Cross-alpha Amyloid-like Structure alphaAmS
x3: Cross-alpha Amyloid-like Structure alphaAmS
x4: Cross-alpha Amyloid-like Structure alphaAmS
hetero molecules


Theoretical massNumber of molelcules
Total (without water)701,036339
Polymers695,862236
Non-polymers5,173103
Water7,368409
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: Confirmed by Cryo-EM
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)161.166, 160.159, 198.502
Angle α, β, γ (deg.)90.00, 109.97, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein/peptide ...
Cross-alpha Amyloid-like Structure alphaAmS


Mass: 2948.569 Da / Num. of mol.: 236
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: synthetic construct (others)
#2: Chemical...
ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 97 / Source method: obtained synthetically / Formula: CH2O2
#3: Chemical
ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL


Mass: 118.174 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C6H14O2 / Comment: precipitant*YM
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 409 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.46 Å3/Da / Density % sol: 64.45 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: 45% MPD, 0.2 M Na formate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.11583 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: May 31, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.11583 Å / Relative weight: 1
ReflectionResolution: 2.5→152 Å / Num. obs: 632259 / % possible obs: 98.2 % / Redundancy: 3.4 % / Net I/σ(I): 7.99
Reflection shellResolution: 2.5→2.66 Å

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829: ???)refinement
XDSdata reduction
XDSdata scaling
MOLREPphasing
RefinementResolution: 2.503→151.474 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.88
RfactorNum. reflection% reflection
Rfree0.2462 16136 5.03 %
Rwork0.1978 --
obs0.2003 320626 98.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.503→151.474 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms49316 0 339 409 50064
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00650135
X-RAY DIFFRACTIONf_angle_d0.83766625
X-RAY DIFFRACTIONf_dihedral_angle_d27.72419676
X-RAY DIFFRACTIONf_chiral_restr0.0697806
X-RAY DIFFRACTIONf_plane_restr0.0037813
Refinement TLS params.

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

IDL11 (°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)
15.12363.60032.80498.75292.09845.4221-0.25740.42940.553-0.3194-0.04660.8343-0.6072-0.43320.30060.6753-0.06980.1140.882-0.16090.5365-41.3645-40.4913152.3318
25.29172.32962.36425.40131.49514.1026-0.29120.1324-0.82120.0040.6068-0.92970.4131.3013-0.27170.61960.00860.15140.9398-0.11980.4647-34.2656-47.3901154.2193
34.70154.10874.32575.60993.36145.15590.1120.89031.9160.03810.05211.1123-0.84840.4017-0.21160.7644-0.06160.08930.9466-0.03330.5436-34.5472-37.3575143.6485
49.31855.8797.3769.04015.75658.8440.2026-0.1126-0.7801-0.14720.012-0.94880.28831.2798-0.09570.6374-0.02710.13180.99-0.02140.4546-30.2363-46.3459145.5902
55.78293.39954.93176.53621.46074.2291-0.18550.51621.455-0.0941-0.00120.2799-1.02590.23550.08110.72330.02640.11060.9659-0.07270.4031-32.723-37.9644134.0957
66.4441.67180.89184.34142.36674.55710.0526-0.1834-0.6311-0.11890.0955-0.3591-0.04150.594-0.11930.60550.04030.13911.0294-0.08770.4882-30.7168-48.0444134.7183
78.426-0.35351.99893.5495-1.16186.74680.60370.44822.871-0.2059-0.598-0.5796-0.86661.4046-0.22180.89390.10110.24231.31410.07440.5623-24.8787-38.3157125.8463
86.1898-1.00041.83663.3286-3.26314.66680.1747-0.0502-1.0591-0.1001-0.2948-0.11890.98981.18130.2680.75630.19910.181.21190.00930.5235-26.337-48.4049126.2789
99.2624-2.04975.01745.5301-0.97254.59530.13890.26661.3040.20570.2253-0.4762-0.64490.2204-0.41070.98020.19170.20671.33490.09040.5265-22.8656-38.5149116.3229
109.4497-4.25224.8217.0088-3.29539.00731.34171.1147-0.9958-0.6079-0.5080.67061.34160.4742-0.49741.0170.29570.13351.2291-0.02510.4612-26.9901-47.6674114.9035
119.5764-2.41511.62223.8357-4.978.5134-0.4373-0.85440.40961.05070.0622-0.3652-0.17111.5130.42520.9530.15020.13411.35740.03230.5358-15.8202-41.6482108.1931
128.034-3.0333-0.55137.0387-2.63895.3209-0.6034-0.4583-1.0407-0.14430.46270.39461.2126-0.3160.25671.01280.26480.17931.22040.06140.5559-22.56-49.044106.295
139.3388-2.0625-2.78314.59734.88036.3583-0.4026-0.52281.2340.56610.8051-1.7893-0.22730.6501-0.45380.80560.20360.16381.09810.05720.5578-13.0618-40.855699.0391
146.376-4.60041.86962.6376-1.99714.6232-0.0264-0.1266-0.6495-0.21790.45420.88880.3861-0.483-0.28820.84940.13440.13610.96590.07980.6005-21.3449-45.829595.5423
156.0991-0.7307-0.81953.6957-3.57175.847-0.6949-0.72650.23670.58710.9341-1.30420.1390.4357-0.21470.70760.10090.15330.89880.02670.5186-7.7085-45.507790.3169
163.6166-0.551-0.71323.6953-1.85936.8803-0.6538-0.0766-0.25250.13751.07091.10740.5559-1.2986-0.42320.69190.03910.14390.96120.02680.6316-17.247-47.253786.9257
175.42610.1816-0.28183.1451-2.56934.1161-0.4457-0.10130.18020.25090.9095-1.41580.23440.8525-0.43740.65840.13540.07061.01470.00920.5519-4.0732-44.405981.3875
184.6660.35690.34333.51963.45993.4597-0.19550.02530.3554-0.67160.28791.21060.0645-0.6316-0.06650.7066-0.13150.08970.848-0.00960.4581-13.4415-42.803577.3381
199.06425.47641.28954.90410.16751.8301-0.1737-0.0098-0.75131.11810.6025-0.97040.71710.5103-0.31380.6833-0.03550.10350.8747-0.00710.4707-1.8446-48.675371.2604
207.80615.7291-2.3433.9717-0.90958.1617-0.31550.47570.4184-0.40870.27810.79940.1004-1.11420.04640.5063-0.03310.08130.9779-0.07830.4929-10.4176-44.078468.3432
218.97721.55231.76823.48930.96735.73150.31720.3367-0.30490.66960.0101-0.61781.0231.1762-0.1390.7345-0.10480.15071.0139-0.02590.53792.3287-47.427662.5299
227.68563.9876-0.03648.74540.67494.01470.06690.0941.2033-0.250.08560.9701-0.3284-0.4303-0.15130.6999-0.01870.02790.9361-0.05540.5197-4.3874-40.341359.7936
238.36054.20464.7787.95934.38275.89020.66480.1391-0.91560.4646-0.3642-0.36951.3040.5352-0.10910.83580.0440.13561.0869-0.01720.50672.1063-49.962651.5435
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1734.73475.37311.12536.45840.39843.96830.12962.11650.3786-0.86280.00870.6461-0.14580.013-0.18270.78260.1787-0.10160.7514-0.25540.8351131.8541-54.166127.8012
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1758.0428.0047-7.41538.9909-5.35357.8915-0.60652.38930.3826-0.74820.66520.76520.4657-0.9036-0.1030.70610.1542-0.1470.6454-0.14990.8524123.0286-47.521430.4063
1763.95063.0087-2.23799.936-2.86982.87910.2082-0.68650.24281.76240.2567-0.1122-0.14220.2573-0.42340.76470.2566-0.09410.7927-0.17670.942126.1013-49.007740.0266
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1789.09866.028-6.36479.8151-5.15389.10610.2062-2.52210.07181.2304-0.976-1.60330.02791.6070.52120.75740.3383-0.30810.8272-0.32771.1595125.1238-37.964741.1595
1799.15661.2389-6.97535.8878-2.83897.7569-0.28520.67020.99940.14090.68620.5137-0.0448-1.3818-0.54310.78490.3515-0.22790.9176-0.22330.9673112.4657-31.838337.8274
1805.24683.8061-3.43747.3896-5.84527.9036-0.6353-1.09620.63520.96010.0204-1.2726-0.3170.46940.53121.00850.5399-0.21961.0095-0.30721.2834120.0485-30.427244.3765
1814.49570.2277-3.22986.131-1.87955.6278-0.41810.17810.16220.34150.61220.56930.6789-1.3709-0.27070.86730.313-0.11680.9221-0.22671.0467108.8157-23.076539.3341
1825.15050.5461-2.58828.0835-4.60628.3035-0.5889-0.84660.77671.7691-0.1059-1.4712-1.32461.2250.44981.02990.6071-0.35031.0077-0.50171.3959117.2347-19.377443.4149
1834.9697-2.1452-0.35852.318-0.64826.8559-1.1618-0.3961-0.11580.99770.42750.02621.1618-0.23730.68151.34660.6141-0.18061.0157-0.21181.0501103.4537-15.805445.8454
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1853.91450.3661.76822.5774-0.64589.41580.0368-0.5811-0.12710.7930.541-0.22380.871-0.9947-0.52451.02860.3668-0.2080.9926-0.18170.92899.0001-7.676347.2937
1864.3098-5.5896.32618.4374-7.92187.6313-0.68930.28921.37291.1693-0.1301-1.1602-0.23662.12410.51961.11120.3811-0.36071.1283-0.36891.2592107.4308-1.80545.4548
1877.82313.36855.85374.71584.80639.7729-0.1332-1.90330.07541.64630.3998-0.63332.0079-0.543-0.21231.03510.4653-0.18931.0822-0.30040.980495.64090.312153.6778
1888.3986-1.4247.41927.1876-1.5528.3112-1.56440.70251.38470.55771.0275-1.814-1.03433.03440.24461.01770.4434-0.27931.3605-0.56911.4238102.3596.346349.1869
1892.96171.11010.86538.62832.71086.893-0.5897-1.0973-0.06151.30840.04111.0260.6127-0.74580.80830.95120.3873-0.26481.1026-0.38091.195589.51357.289855.3368
1904.91482.27015.96347.50513.71619.4212-1.11672.38571.5539-0.84120.34430.346-1.55631.58760.54020.88640.2064-0.22870.8846-0.26321.148293.245713.594448.5105
1919.00863.58080.38453.86151.05245.64010.1042-1.1454-0.22960.9259-0.7140.32250.5003-0.0820.57360.83410.2713-0.18930.8343-0.26461.273886.825316.389761.0651
1922.45316.60575.88119.02124.25589.6744-1.39322.78892.6843-0.75411.1229-0.1476-0.68561.16050.02550.7170.3671-0.13420.9177-0.4561.389188.234421.078752.1063
1937.11162.4231-2.49743.84980.94794.37720.783-0.7507-0.2861.9095-0.1302-0.64180.1450.1931-0.68520.85370.1985-0.29770.7568-0.27311.34279.893422.481464.04
1944.59664.0873-1.33167.01432.07263.9117-0.24511.48620.8967-0.76920.14180.4657-0.14780.11810.09060.73310.2293-0.18030.7858-0.15651.114378.366526.025454.6701
1959.77715.1859-5.96245.2673-2.59938.64591.6636-1.62210.18112.2381-1.1094-1.8754-0.86760.8028-0.64770.97270.2182-0.15840.9159-0.33921.471577.512932.764267.6931
1965.47143.1883-5.47996.8695-1.3876.22410.25121.81071.9282-0.42050.50080.086-0.015-0.6981-0.73420.82860.2055-0.04010.7928-0.0781.259973.487433.616558.3283
1974.07645.5179-4.86888.8668-5.33326.89620.7374-0.97770.46271.7479-0.6276-1.1979-0.29471.0989-0.16510.94670.2874-0.2710.7567-0.24691.682670.528139.180271.3202
1989.95691.1379-5.02575.069-2.15568.28510.46321.53420.2429-0.3231-0.1901-0.5852-0.5968-0.9868-0.17430.92020.3337-0.00290.7198-0.13590.985264.966437.969862.6915
1994.4518-0.281-3.37226.93-2.28778.9639-0.1002-0.38670.51530.9274-0.2694-2.3485-0.3110.85680.29450.92440.221-0.23160.7202-0.24261.320165.995949.712270.7977
2009.05524.0376-6.62428.9681-6.15779.8674-0.39140.74740.6764-0.80070.8212-0.27631.0772-0.7253-0.22740.9170.2292-0.12520.6705-0.17870.964359.555745.792464.2252
2013.81210.5223-1.76036.6193.16726.71140.15290.4360.5072-0.53-0.28640.8491-0.2437-0.83830.04490.9114-0.2618-0.2550.71030.23391.264933.6124-24.0763112.116
2028.70830.3059-4.94325.29482.1984.0275-0.7938-0.6048-0.7842-0.2930.2185-0.0579-0.26382.2660.45550.8429-0.2623-0.01280.6650.05920.82441.5501-28.9756115.9607
2037.67273.58616.87718.67195.69456.07170.0027-0.96190.7073-0.1754-0.5381.61690.527-2.30240.34340.8876-0.2687-0.14520.78840.11030.911139.4523-14.8605113.7876
2045.23383.60.92327.8622.57176.6840.4221-0.0867-0.69220.49371.0442-0.68482.93961.8375-1.09451.2441-0.331-0.3260.68060.10410.960347.4546-20.9196114.2511
2056.93543.44934.8335.01812.89243.2012-0.6119-0.14131.6064-0.9401-0.02091.2425-0.1642-2.00790.37760.9325-0.2357-0.20370.8580.17210.802643.8231-7.7457109.8364
2067.40422.66883.57937.61961.19828.95960.141.0071-0.3519-1.38520.63630.0651.18631.3229-0.68070.9398-0.28-0.07620.70210.03710.866151.8902-13.2465106.7609
2076.45042.27672.92097.00630.14948.1833-0.6873-0.2750.7431-0.80510.55981.5723-1.0086-0.72230.15220.7609-0.0989-0.17880.51390.17550.905850.80750.6025111.0916
20810.1611-0.82865.40635.5818-1.55168.48610.03681.0053-0.0223-1.76250.18310.231.48830.6213-0.20991.0802-0.1441-0.08770.46060.06390.860557.3571-5.1278105.2746
2096.7199-4.13651.0896.6929-5.03234.728-0.5388-0.64761.5337-0.07180.41751.0142-0.2436-0.75590.03550.8456-0.1732-0.22550.61380.26651.143954.45758.8631108.2908
2102.8053-5.13735.12748.098-3.43629.7331.02621.7284-0.1965-2.2608-0.87350.75541.72271.25040.13160.8332-0.2683-0.17490.72240.26471.168158.94514.83199.8907
2112.1185-5.42414.36496.7034-1.94586.0635-1.1478-3.11731.74550.29930.85740.6143-0.1329-0.77240.27870.7531-0.1893-0.31470.56860.24541.551962.804616.4525107.9663
2128.7574-1.91711.27556.8887-0.90382.46750.49520.7186-0.5517-1.77620.00370.52280.7923-0.033-0.43810.8545-0.2395-0.19650.69030.27471.165964.445312.744298.5441
2139.0753-6.4626-1.20188.6509-1.43123.4653-0.3203-1.4317-0.16570.7250.24040.0909-0.37630.24850.05920.8011-0.1567-0.17740.68420.26491.194465.860725.3985105.5733
2146.7635-7.2164-0.72518.0205-1.15083.20860.56230.8168-0.1117-1.4198-0.3550.47750.4618-0.5001-0.16570.7471-0.245-0.15670.73980.22811.232664.9523.783495.4982
2156.4241-6.6264-4.47356.93034.47257.43590.118-1.45981.11840.40350.443-0.82510.48070.5638-0.53810.6757-0.1284-0.09950.59580.15081.076474.371432.3664102.5495
2169.0473-5.2847-2.94547.79552.48234.97170.04560.5844-0.2762-0.6573-0.19140.21960.3404-0.45540.160.7037-0.1948-0.1460.65360.27381.02770.379631.462593.1771
2179.3503-2.9092-6.20064.98621.50269.93410.036-0.94920.16890.55770.2003-0.05360.37860.4722-0.12950.7236-0.208-0.16850.56620.1490.989377.294241.4315100.869
2189.4224-6.7411-6.74065.30074.20798.35980.36510.8215-0.2899-0.1031-0.78030.49560.0155-0.74630.42190.6598-0.1773-0.18060.62150.08680.964671.314242.874492.7262
2199.2725-4.4226-6.2599.69984.69384.69470.2264-0.861-0.30450.25670.2574-0.52260.02580.914-0.47930.7757-0.2303-0.21010.63660.14430.76984.307548.3995.3659
2205.7186-2.5357-3.17494.41212.30925.51610.05060.9878-0.2802-1.6187-0.62471.2412-0.9208-1.25220.56770.8203-0.1586-0.21310.71950.11210.908976.315650.516789.6407
2214.4856-1.4638-4.74817.5672.47759.9548-0.5527-0.4284-0.24160.42260.1198-0.1451.93070.87680.44330.8263-0.1627-0.19450.58880.1270.777888.225957.066994.135
2223.5980.4604-0.54226.14654.8244.0639-0.00860.13520.0981-0.3764-0.38451.3568-0.318-0.89950.32320.9371-0.2078-0.18140.63610.20630.84379.284961.355290.9589
2234.3742-0.2408-2.72074.71790.268710.12380.0247-0.1223-0.2472-0.2020.027-0.640.72261.3083-0.08220.847-0.2712-0.15710.70520.1020.820992.865964.95587.692
2244.7587-0.02240.1095.78990.23158.9947-0.126-0.01810.5761-0.8526-0.26971.0428-0.4115-1.77290.05860.8736-0.2435-0.14770.67630.20750.599783.665569.425987.8054
2252.7677-0.62291.70181.9061-0.6224.8150.098-0.0839-0.2729-0.1487-0.0844-0.5871-0.02861.08530.02170.9157-0.2206-0.14760.68780.05650.828697.607273.286287.17
2267.8922-0.28825.13885.55624.30146.216-0.126-1.39230.54160.1619-0.1850.5753-0.3685-2.37920.08821.0952-0.2327-0.15080.70060.10650.852989.612278.841390.0904
2276.8441-5.95424.28186.3563-3.05745.15780.95290.635-0.3891-0.5257-0.7842-0.41671.76740.7519-0.3010.9461-0.2437-0.16110.67080.13030.8698100.388181.824781.1479
2287.3715-2.77224.37054.4333-3.05578.26090.405-1.4492-0.25980.43760.26150.03040.3563-1.4985-0.78230.9461-0.3299-0.06870.8990.15660.703994.123287.033487.2761
2296.6071-4.91324.54495.5257-1.30434.72641.0220.79640.0339-0.6608-1.1152-1.99571.09690.94960.08630.8455-0.2056-0.16320.71890.21991.1697106.540189.355679.9576
2305.1305-4.52615.73037.0531-3.21759.760.2811-1.4040.43610.8308-0.2908-0.7920.2473-0.5917-0.0820.8492-0.24490.00490.70590.08770.8631103.115294.225988.1804
23110.0556-4.42126.36793.6468-4.36976.64440.81451.12560.6163-1.1453-0.8167-0.93080.85160.25370.09630.7313-0.10020.16830.70450.16911.1556108.163199.72875.8541
2325.9228-6.85042.31567.7907-1.89915.7549-0.1326-1.60021.51911.0474-0.0183-0.9360.0814-0.3090.07910.7787-0.2336-0.05780.70340.13590.9315106.7262102.749785.492
2339.0869-7.42480.6198.01721.9154.00580.72931.070.2031-1.5462-0.3573-0.4584-0.17950.1279-0.37170.6401-0.13130.11740.65760.17221.4293113.8693107.085273.783
2346.337-5.4226-0.65348.30570.77474.8408-0.0817-1.6579-0.12991.03720.2042-0.32390.66770.1286-0.15640.7521-0.17460.05470.62230.07331.2159115.9521108.884183.6269
2353.0665-7.2559-4.83367.29034.70018.69211.11312.1869-0.5109-1.8397-2.04871.7153-0.8853-1.16130.65250.5082-0.22080.18250.7377-0.02611.7679115.3378118.118672.4742
2365.7996-3.9152-5.94793.15383.48075.6154-0.4586-1.529-0.15120.67260.307-0.00340.04420.860.01210.6693-0.12530.06670.68890.19371.5863119.7502117.660481.6149
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain A1
2X-RAY DIFFRACTION2chain A2
3X-RAY DIFFRACTION3chain A3
4X-RAY DIFFRACTION4chain A4
5X-RAY DIFFRACTION5chain B1
6X-RAY DIFFRACTION6chain B2
7X-RAY DIFFRACTION7chain B3
8X-RAY DIFFRACTION8chain B4
9X-RAY DIFFRACTION9chain C1
10X-RAY DIFFRACTION10chain C2
11X-RAY DIFFRACTION11chain C3
12X-RAY DIFFRACTION12chain C4
13X-RAY DIFFRACTION13chain D1
14X-RAY DIFFRACTION14chain D2
15X-RAY DIFFRACTION15chain D3
16X-RAY DIFFRACTION16chain D4
17X-RAY DIFFRACTION17chain E1
18X-RAY DIFFRACTION18chain E2
19X-RAY DIFFRACTION19chain E3
20X-RAY DIFFRACTION20chain E4
21X-RAY DIFFRACTION21chain F1
22X-RAY DIFFRACTION22chain F2
23X-RAY DIFFRACTION23chain F3
24X-RAY DIFFRACTION24chain F4
25X-RAY DIFFRACTION25chain G1
26X-RAY DIFFRACTION26chain G2
27X-RAY DIFFRACTION27chain G3
28X-RAY DIFFRACTION28chain G4
29X-RAY DIFFRACTION29chain H1
30X-RAY DIFFRACTION30chain H2
31X-RAY DIFFRACTION31chain H3
32X-RAY DIFFRACTION32chain H4
33X-RAY DIFFRACTION33chain I1
34X-RAY DIFFRACTION34chain I2
35X-RAY DIFFRACTION35chain I3
36X-RAY DIFFRACTION36chain I4
37X-RAY DIFFRACTION37chain J1
38X-RAY DIFFRACTION38chain J2
39X-RAY DIFFRACTION39chain J3
40X-RAY DIFFRACTION40chain J4
41X-RAY DIFFRACTION41chain K1
42X-RAY DIFFRACTION42chain K2
43X-RAY DIFFRACTION43chain K3
44X-RAY DIFFRACTION44chain K4
45X-RAY DIFFRACTION45chain L1
46X-RAY DIFFRACTION46chain L2
47X-RAY DIFFRACTION47chain L3
48X-RAY DIFFRACTION48chain L4
49X-RAY DIFFRACTION49chain M1
50X-RAY DIFFRACTION50chain M2
51X-RAY DIFFRACTION51chain M3
52X-RAY DIFFRACTION52chain M4
53X-RAY DIFFRACTION53chain N1
54X-RAY DIFFRACTION54chain N2
55X-RAY DIFFRACTION55chain N3
56X-RAY DIFFRACTION56chain N4
57X-RAY DIFFRACTION57chain O1
58X-RAY DIFFRACTION58chain O2
59X-RAY DIFFRACTION59chain O3
60X-RAY DIFFRACTION60chain O4
61X-RAY DIFFRACTION61chain P1
62X-RAY DIFFRACTION62chain P2
63X-RAY DIFFRACTION63chain P3
64X-RAY DIFFRACTION64chain P4
65X-RAY DIFFRACTION65chain Q1
66X-RAY DIFFRACTION66chain Q2
67X-RAY DIFFRACTION67chain Q3
68X-RAY DIFFRACTION68chain Q4
69X-RAY DIFFRACTION69chain R1
70X-RAY DIFFRACTION70chain R2
71X-RAY DIFFRACTION71chain R3
72X-RAY DIFFRACTION72chain R4
73X-RAY DIFFRACTION73chain S1
74X-RAY DIFFRACTION74chain S2
75X-RAY DIFFRACTION75chain S3
76X-RAY DIFFRACTION76chain S4
77X-RAY DIFFRACTION77chain T1
78X-RAY DIFFRACTION78chain T2
79X-RAY DIFFRACTION79chain T3
80X-RAY DIFFRACTION80chain T4
81X-RAY DIFFRACTION81chain U1
82X-RAY DIFFRACTION82chain U2
83X-RAY DIFFRACTION83chain U3
84X-RAY DIFFRACTION84chain U4
85X-RAY DIFFRACTION85chain V1
86X-RAY DIFFRACTION86chain V2
87X-RAY DIFFRACTION87chain V3
88X-RAY DIFFRACTION88chain V4
89X-RAY DIFFRACTION89chain W1
90X-RAY DIFFRACTION90chain W2
91X-RAY DIFFRACTION91chain W3
92X-RAY DIFFRACTION92chain W4
93X-RAY DIFFRACTION93chain X1
94X-RAY DIFFRACTION94chain X2
95X-RAY DIFFRACTION95chain X3
96X-RAY DIFFRACTION96chain X4
97X-RAY DIFFRACTION97chain Y1
98X-RAY DIFFRACTION98chain Y2
99X-RAY DIFFRACTION99chain Y3
100X-RAY DIFFRACTION100chain Y4
101X-RAY DIFFRACTION101chain Z1
102X-RAY DIFFRACTION102chain Z2
103X-RAY DIFFRACTION103chain Z3
104X-RAY DIFFRACTION104chain Z4
105X-RAY DIFFRACTION105chain 11
106X-RAY DIFFRACTION106chain 12
107X-RAY DIFFRACTION107chain 13
108X-RAY DIFFRACTION108chain 14
109X-RAY DIFFRACTION109chain 21
110X-RAY DIFFRACTION110chain 22
111X-RAY DIFFRACTION111chain 23
112X-RAY DIFFRACTION112chain 24
113X-RAY DIFFRACTION113chain 31
114X-RAY DIFFRACTION114chain 32
115X-RAY DIFFRACTION115chain 33
116X-RAY DIFFRACTION116chain 34
117X-RAY DIFFRACTION117chain 41
118X-RAY DIFFRACTION118chain 42
119X-RAY DIFFRACTION119chain 43
120X-RAY DIFFRACTION120chain 44
121X-RAY DIFFRACTION121chain 51
122X-RAY DIFFRACTION122chain 52
123X-RAY DIFFRACTION123chain 53
124X-RAY DIFFRACTION124chain 54
125X-RAY DIFFRACTION125chain 61
126X-RAY DIFFRACTION126chain 62
127X-RAY DIFFRACTION127chain 63
128X-RAY DIFFRACTION128chain 64
129X-RAY DIFFRACTION129chain 71
130X-RAY DIFFRACTION130chain 72
131X-RAY DIFFRACTION131chain 73
132X-RAY DIFFRACTION132chain 74
133X-RAY DIFFRACTION133chain 81
134X-RAY DIFFRACTION134chain 82
135X-RAY DIFFRACTION135chain 83
136X-RAY DIFFRACTION136chain 84
137X-RAY DIFFRACTION137chain 91
138X-RAY DIFFRACTION138chain 92
139X-RAY DIFFRACTION139chain 93
140X-RAY DIFFRACTION140chain 94
141X-RAY DIFFRACTION141chain a1
142X-RAY DIFFRACTION142chain a2
143X-RAY DIFFRACTION143chain a3
144X-RAY DIFFRACTION144chain a4
145X-RAY DIFFRACTION145chain b1
146X-RAY DIFFRACTION146chain b2
147X-RAY DIFFRACTION147chain b3
148X-RAY DIFFRACTION148chain b4
149X-RAY DIFFRACTION149chain c1
150X-RAY DIFFRACTION150chain c2
151X-RAY DIFFRACTION151chain c3
152X-RAY DIFFRACTION152chain c4
153X-RAY DIFFRACTION153chain d1
154X-RAY DIFFRACTION154chain d2
155X-RAY DIFFRACTION155chain d3
156X-RAY DIFFRACTION156chain d4
157X-RAY DIFFRACTION157chain e1
158X-RAY DIFFRACTION158chain e2
159X-RAY DIFFRACTION159chain e3
160X-RAY DIFFRACTION160chain e4
161X-RAY DIFFRACTION161chain f1
162X-RAY DIFFRACTION162chain f2
163X-RAY DIFFRACTION163chain f3
164X-RAY DIFFRACTION164chain f4
165X-RAY DIFFRACTION165chain g1
166X-RAY DIFFRACTION166chain g2
167X-RAY DIFFRACTION167chain g3
168X-RAY DIFFRACTION168chain g4
169X-RAY DIFFRACTION169chain h1
170X-RAY DIFFRACTION170chain h2
171X-RAY DIFFRACTION171chain h3
172X-RAY DIFFRACTION172chain h4
173X-RAY DIFFRACTION173chain i1
174X-RAY DIFFRACTION174chain i2
175X-RAY DIFFRACTION175chain i3
176X-RAY DIFFRACTION176chain i4
177X-RAY DIFFRACTION177chain j1
178X-RAY DIFFRACTION178chain j2
179X-RAY DIFFRACTION179chain j3
180X-RAY DIFFRACTION180chain j4
181X-RAY DIFFRACTION181chain k1
182X-RAY DIFFRACTION182chain k2
183X-RAY DIFFRACTION183chain k3
184X-RAY DIFFRACTION184chain k4
185X-RAY DIFFRACTION185chain l1
186X-RAY DIFFRACTION186chain l2
187X-RAY DIFFRACTION187chain l3
188X-RAY DIFFRACTION188chain l4
189X-RAY DIFFRACTION189chain m1
190X-RAY DIFFRACTION190chain m2
191X-RAY DIFFRACTION191chain m3
192X-RAY DIFFRACTION192chain m4
193X-RAY DIFFRACTION193chain n1
194X-RAY DIFFRACTION194chain n2
195X-RAY DIFFRACTION195chain n3
196X-RAY DIFFRACTION196chain n4
197X-RAY DIFFRACTION197chain o1
198X-RAY DIFFRACTION198chain o2
199X-RAY DIFFRACTION199chain o3
200X-RAY DIFFRACTION200chain o4
201X-RAY DIFFRACTION201chain p1
202X-RAY DIFFRACTION202chain p2
203X-RAY DIFFRACTION203chain p3
204X-RAY DIFFRACTION204chain p4
205X-RAY DIFFRACTION205chain q1
206X-RAY DIFFRACTION206chain q2
207X-RAY DIFFRACTION207chain q3
208X-RAY DIFFRACTION208chain q4
209X-RAY DIFFRACTION209chain r1
210X-RAY DIFFRACTION210chain r2
211X-RAY DIFFRACTION211chain r3
212X-RAY DIFFRACTION212chain r4
213X-RAY DIFFRACTION213chain s1
214X-RAY DIFFRACTION214chain s2
215X-RAY DIFFRACTION215chain s3
216X-RAY DIFFRACTION216chain s4
217X-RAY DIFFRACTION217chain t1
218X-RAY DIFFRACTION218chain t2
219X-RAY DIFFRACTION219chain t3
220X-RAY DIFFRACTION220chain t4
221X-RAY DIFFRACTION221chain u1
222X-RAY DIFFRACTION222chain u2
223X-RAY DIFFRACTION223chain u3
224X-RAY DIFFRACTION224chain u4
225X-RAY DIFFRACTION225chain v1
226X-RAY DIFFRACTION226chain v2
227X-RAY DIFFRACTION227chain v3
228X-RAY DIFFRACTION228chain v4
229X-RAY DIFFRACTION229chain w1
230X-RAY DIFFRACTION230chain w2
231X-RAY DIFFRACTION231chain w3
232X-RAY DIFFRACTION232chain w4
233X-RAY DIFFRACTION233chain x1
234X-RAY DIFFRACTION234chain x2
235X-RAY DIFFRACTION235chain x3
236X-RAY DIFFRACTION236chain x4

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