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- PDB-8as0: PD-1 extracellular domain in complex with Fab fragment from D12 a... -

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Basic information

Entry
Database: PDB / ID: 8as0
TitlePD-1 extracellular domain in complex with Fab fragment from D12 antibody
Components
  • (D12 antibody ...) x 2
  • Programmed cell death protein 1
KeywordsANTITUMOR PROTEIN / Monoclonal antibodies / phage display technology / antibody library / human PD-1 / immunotherapy
Function / homology
Function and homology information


negative regulation of tolerance induction / regulatory T cell apoptotic process / negative regulation of immune response / B cell apoptotic process / positive regulation of T cell apoptotic process / negative regulation of B cell apoptotic process / humoral immune response / PD-1 signaling / regulation of immune response / Potential therapeutics for SARS ...negative regulation of tolerance induction / regulatory T cell apoptotic process / negative regulation of immune response / B cell apoptotic process / positive regulation of T cell apoptotic process / negative regulation of B cell apoptotic process / humoral immune response / PD-1 signaling / regulation of immune response / Potential therapeutics for SARS / adaptive immune response / external side of plasma membrane / apoptotic process / plasma membrane
Similarity search - Function
Programmed cell death protein 1 / Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
Programmed cell death protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å
AuthorsOngaro, T. / Scietti, L. / Pluss, L. / Peissert, F. / Villa, A. / Puca, E. / De Luca, R. / Neri, D. / Forneris, F.
Funding support Italy, United States, 3items
OrganizationGrant numberCountry
Italian Association for Cancer ResearchMFAG 20075 Italy
The Giovanni Armenise-Harvard FoundationCDA 2013 United States
Ministero dell Universita e della RicercaDipartimenti di eccellenza 2018-2022 Italy
CitationJournal: Protein Sci. / Year: 2022
Title: Selection of a PD-1 blocking antibody from a novel fully human phage display library.
Authors: Peissert, F. / Pluss, L. / Giudice, A.M. / Ongaro, T. / Villa, A. / Elsayed, A. / Nadal, L. / Dakhel Plaza, S. / Scietti, L. / Puca, E. / De Luca, R. / Forneris, F. / Neri, D.
History
DepositionAug 17, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 23, 2022Provider: repository / Type: Initial release
Revision 1.1Dec 7, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Dec 21, 2022Group: Database references / Category: citation / citation_author
Item: _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: D12 antibody light chain, Fab fragment
B: D12 antibody heavy chain, Fab fragment
A: Programmed cell death protein 1
D: D12 antibody light chain, Fab fragment
E: D12 antibody heavy chain, Fab fragment
F: Programmed cell death protein 1
G: D12 antibody light chain, Fab fragment
H: D12 antibody heavy chain, Fab fragment
I: Programmed cell death protein 1
J: D12 antibody light chain, Fab fragment
K: D12 antibody heavy chain, Fab fragment
L: Programmed cell death protein 1
M: D12 antibody light chain, Fab fragment
N: D12 antibody heavy chain, Fab fragment
O: Programmed cell death protein 1
P: D12 antibody light chain, Fab fragment
Q: D12 antibody heavy chain, Fab fragment
R: Programmed cell death protein 1
V: D12 antibody light chain, Fab fragment
W: D12 antibody heavy chain, Fab fragment
X: Programmed cell death protein 1
S: D12 antibody light chain, Fab fragment
T: D12 antibody heavy chain, Fab fragment
Y: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)539,78745
Polymers529,67724
Non-polymers10,10921
Water0
1
C: D12 antibody light chain, Fab fragment
B: D12 antibody heavy chain, Fab fragment
A: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,5135
Polymers66,2103
Non-polymers1,3032
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: D12 antibody light chain, Fab fragment
E: D12 antibody heavy chain, Fab fragment
F: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,5886
Polymers66,2103
Non-polymers1,3783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: D12 antibody light chain, Fab fragment
H: D12 antibody heavy chain, Fab fragment
I: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,3696
Polymers66,2103
Non-polymers1,1593
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: D12 antibody light chain, Fab fragment
K: D12 antibody heavy chain, Fab fragment
L: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,7096
Polymers66,2103
Non-polymers1,4993
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
M: D12 antibody light chain, Fab fragment
N: D12 antibody heavy chain, Fab fragment
O: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,1645
Polymers66,2103
Non-polymers9542
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
P: D12 antibody light chain, Fab fragment
Q: D12 antibody heavy chain, Fab fragment
R: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,1645
Polymers66,2103
Non-polymers9542
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
V: D12 antibody light chain, Fab fragment
W: D12 antibody heavy chain, Fab fragment
X: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,8966
Polymers66,2103
Non-polymers1,6873
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
S: D12 antibody light chain, Fab fragment
T: D12 antibody heavy chain, Fab fragment
Y: Programmed cell death protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,3856
Polymers66,2103
Non-polymers1,1753
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)81.195, 187.092, 190.845
Angle α, β, γ (deg.)90.00, 90.24, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 1 types, 8 molecules AFILORXY

#3: Protein
Programmed cell death protein 1 / / Protein PD-1 / hPD-1


Mass: 19073.203 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Details: expression tag at C-terminus: GLNDIFEAQKIEWHEHHHHHH
Source: (gene. exp.) Homo sapiens (human) / Gene: PDCD1, PD1 / Cell line (production host): CHO / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: Q15116

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Antibody , 2 types, 16 molecules CDGJMPVSBEHKNQWT

#1: Antibody
D12 antibody light chain, Fab fragment


Mass: 23343.863 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line: AMG phage library / Cell line (production host): CHO / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody
D12 antibody heavy chain, Fab fragment


Mass: 23792.594 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line: AMG phage library / Cell line (production host): CHO / Production host: Cricetulus griseus (Chinese hamster)

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Sugars , 8 types, 21 molecules

#4: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#5: Polysaccharide
beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 4 / Source method: obtained synthetically
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#6: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 3 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#7: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#8: Polysaccharide beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DManpb1-3DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b3-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(3+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#9: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#10: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-3)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1056.964 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-3DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-3-4/a4-b1_a6-f1_b3-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(3+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#11: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Details

Has ligand of interestN

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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: 3.04 Å3/Da / Density % sol: 59.55 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.5 / Details: 22% PEG 3350, 250 mM sodium malonate, pH 4.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-1 / Wavelength: 0.965 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Jul 1, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.965 Å / Relative weight: 1
ReflectionResolution: 3.5→190.84 Å / Num. obs: 68755 / % possible obs: 96.1 % / Redundancy: 1.7 % / CC1/2: 0.94 / Rmerge(I) obs: 0.141 / Rpim(I) all: 0.1 / Net I/σ(I): 3.9
Reflection shellResolution: 3.5→3.58 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.642 / Num. unique obs: 4708 / CC1/2: 0.431 / Rpim(I) all: 0.431 / % possible all: 97.6

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Processing

Software
NameVersionClassification
PHENIX(1.20_4459: ???)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5WT9, Alphafold2

5wt9


Resolution: 3.5→95.42 Å / SU ML: 0.54 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 30.15 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2926 3524 5.13 %
Rwork0.2431 --
obs0.2456 68677 95.63 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.5→95.42 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms33488 0 36 0 33524
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00434279
X-RAY DIFFRACTIONf_angle_d0.746582
X-RAY DIFFRACTIONf_dihedral_angle_d4.935015
X-RAY DIFFRACTIONf_chiral_restr0.0675363
X-RAY DIFFRACTIONf_plane_restr0.0075926
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.5-3.550.38061270.32912673X-RAY DIFFRACTION97
3.55-3.60.34681680.32192595X-RAY DIFFRACTION97
3.6-3.650.37061400.31932664X-RAY DIFFRACTION97
3.65-3.710.36161870.32562599X-RAY DIFFRACTION97
3.71-3.770.37161130.31472654X-RAY DIFFRACTION98
3.77-3.840.34491290.30192686X-RAY DIFFRACTION98
3.84-3.910.37881490.30922592X-RAY DIFFRACTION96
3.91-3.980.29251460.28282620X-RAY DIFFRACTION97
3.98-4.060.30221150.27482673X-RAY DIFFRACTION96
4.06-4.150.31591390.26482582X-RAY DIFFRACTION96
4.15-4.250.30171340.24522681X-RAY DIFFRACTION97
4.25-4.350.29041090.23422609X-RAY DIFFRACTION97
4.35-4.470.28881980.22562563X-RAY DIFFRACTION96
4.47-4.60.25871330.2162462X-RAY DIFFRACTION91
4.6-4.750.24131710.21022518X-RAY DIFFRACTION93
4.75-4.920.2791310.21252580X-RAY DIFFRACTION96
4.92-5.120.27161570.21222679X-RAY DIFFRACTION98
5.12-5.350.26381660.21432617X-RAY DIFFRACTION97
5.35-5.630.29151630.22132594X-RAY DIFFRACTION96
5.63-5.980.30861610.22662589X-RAY DIFFRACTION96
5.98-6.450.26411360.23322631X-RAY DIFFRACTION96
6.45-7.090.2904960.2522629X-RAY DIFFRACTION94
7.1-8.120.28391420.21882601X-RAY DIFFRACTION94
8.12-10.230.2345830.18532533X-RAY DIFFRACTION91
10.23-95.420.24951310.21972529X-RAY DIFFRACTION90
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)
11.45741.47470.54062.76680.55493.18540.2780.288-0.3248-0.4366-0.21520.56350.2962-1.18761.56240.7269-0.1012-0.10180.9663-0.73011.0787-1.237728.208222.7826
22.3555-0.4643-0.04642.24880.87921.7339-0.70250.02420.0721-0.0337-0.08090.5694-0.0806-0.4574-0.25620.4306-0.10420.27220.5626-0.24440.72247.805425.823625.7336
32.1160.4183-0.88770.107-0.04981.2003-0.18680.4813-0.7622-0.2537-0.6326-0.45540.1401-0.026-0.29130.1406-0.28080.25651.3683-0.1350.74529.283339.76125.5874
40.81680.0102-0.27610.97410.10190.0909-1.09360.7245-0.4962-0.30870.94360.61320.28140.32820.12130.7139-0.47310.47851.0578-0.35221.3858-9.503916.550334.4069
52.88742.12833.93553.92631.96926.93860.73820.191-0.1606-0.23440.8228-0.50010.02490.04040.39030.284-0.01930.16090.64280.19411.0754-14.976622.850963.603
65.6831.38860.10311.05560.48964.4153-0.56910.84330.2647-0.25790.2650.3655-0.2679-0.57110.03480.6275-0.0491-0.0190.5766-0.05060.6789-19.57623.956249.9661
73.06482.09930.90391.45660.85183.175-0.7080.3769-0.7559-0.2147-0.1506-0.82440.111-0.1765-1.47441.1526-0.48880.26010.8382-0.52191.2232-5.428916.546440.7105
81.71281.08351.36292.65020.35454.83280.1291-0.55870.56070.34660.02910.3716-0.3029-0.75470.56260.7053-0.18670.2578-0.3629-0.28170.684-23.096525.805659.404
91.0819-0.3739-0.3962.6005-0.48292.4818-1.07731.0799-0.2710.41250.0156-0.66360.6661-0.9368-0.40860.6324-0.2527-0.03810.9501-0.25770.8686-24.329115.353753.216
103.6493-0.8182-0.66930.3635-0.05194.0685-0.8068-1.1085-0.66670.62330.98590.34140.26390.04970.07520.531-0.01960.04720.4474-0.06130.659812.568337.729547.9209
115.6846-1.8649-2.60024.4081-0.91063.0138-0.2614-0.7527-0.3011.2028-0.2745-0.44250.66360.6926-0.95310.38260.05650.19790.8399-0.26340.722419.196737.54440.6815
122.28050.493-1.25330.6360.20873.5867-0.1410.41890.2084-0.0076-0.0157-0.7197-0.6463-0.40820.08990.3653-0.2928-0.09780.2547-0.02850.738912.846545.520135.2669
131.54180.183-1.16120.62150.61263.10320.28440.23070.8153-0.72910.1196-0.4740.3819-0.48-0.02110.6445-0.21590.13660.1972-0.16050.706716.332345.211943.9291
143.70930.5174-0.9111.48732.45286.73820.5455-0.0386-0.4620.3024-0.5193-0.48580.6493-0.54180.77530.41280.04270.05470.1447-0.22450.890115.451233.961234.9042
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1012.31670.7821-0.32931.41041.33352.2920.83420.42930.28450.0288-0.4157-0.2855-0.1403-0.5261.61251.13020.23720.17450.5911-0.14921.0529-9.0236108.349105.3399
1020.8445-0.48051.29672.7927-1.81322.4127-0.3045-0.96-0.6609-0.21030.11480.49940.6625-0.1453-0.02840.46610.0319-0.14621.2038-0.17820.7539-18.194660.705391.2963
1031.6022-0.08011.13951.16420.22480.8777-0.2066-0.13230.48290.144-0.19591.50170.1445-1.1145-0.06060.289-0.330.03081.7325-0.4160.9215-42.634559.818487.7496
1045.37074.8382-2.52115.7238-0.02344.8499-0.656-0.3624-0.85450.4422-0.7277-1.05760.7886-0.1619-4.3811.2752-0.180.17140.2791-0.24920.0571-21.148152.656890.6839
1056.7483-0.0272-1.17691.31890.64246.53470.7392-0.50661.14160.6910.7158-0.3275-0.4031-0.55170.87741.0381-0.30720.41220.8324-0.1640.9112-27.094855.712598.5432
1067.07275.56783.37016.5298-1.53049.7434-0.0535-1.40780.58830.5797-0.0351.42160.3974-2.14310.44051.0864-0.455-0.09431.78680.23270.8664-30.98758.0989103.3204
1072.755-2.7122-1.91472.83711.24883.8474-0.1381-0.91610.49722.60760.17670.59070.58760.13210.20492.2962-0.23960.00210.5306-0.37931.5668-32.754146.3767103.0297
1081.09850.6-0.69350.868-1.31712.4158-1.142-0.6448-0.19341.04570.6142-0.21110.97220.05190.81591.1184-0.14180.28250.8426-0.23370.7699-28.27649.838689.1316
1092.73311.7126-1.53132.9640.61512.1947-0.54220.7859-0.431-0.39010.41310.50250.7742-0.62740.1160.5976-0.62340.22461.2117-0.19071.5792-44.559557.947995.5481
1108.97870.6647-2.16028.7142-1.84894.9006-0.9169-0.3359-0.5364-0.2675-1.11970.78730.6181-0.5067-5.52561.1972-0.16570.04481.1634-0.39240.4734-26.294859.035297.0487
1110.5267-0.2621-0.48470.13250.24250.44380.26470.2178-0.11370.88660.3838-1.30751.31080.58550.03941.3164-0.0655-0.4110.5521-0.16021.1422-11.939153.2339104.3353
1121.7622-3.1371-0.69665.87170.78083.1697-0.4252-0.42210.40051.18040.39330.35010.28180.0224-0.20010.5623-0.28620.07791.0702-0.19490.8862-22.048262.698996.6439
1133.00792.2493-0.07683.25121.77362.1209-0.03570.5377-0.07490.3382-0.10271.67550.0049-0.5194-0.16780.4546-0.28790.0021.09090.45221.2074-42.017764.905590.6171
1140.8625-0.29450.38252.3524-0.15280.1493-0.4134-0.36110.40990.60670.5872-0.01290.1375-0.3643-0.24340.73210.02630.13350.6653-0.27870.708631.12620.154713.4234
1152.62360.5227-0.08592.4307-0.48183.95520.1218-1.03060.41610.42740.08790.53450.62260.4201-0.21710.8768-0.09370.07210.8479-0.08210.556522.740317.045614.8191
1161.9208-0.1776-0.18171.3086-0.8564.92650.1487-0.6431-0.02030.3175-0.3030.7142-0.16470.3149-0.18560.76130.1055-0.03911.0785-0.20790.521427.433711.010913.6272
1170.7985-0.8002-0.79882.6308-0.29081.39020.18870.10470.00210.0187-0.19430.8359-0.0394-0.893-0.08420.60920.0140.04880.4506-0.26510.747428.319826.45513.6794
1182.8202-0.45680.61541.4793-1.09780.8266-0.18220.8134-0.1093-0.33990.3708-0.4961.14010.577-0.07550.92380.18330.15620.5427-0.27270.837135.9516-0.703916.9212
1190.287-0.31950.05630.4802-0.10230.02050.42130.0764-0.467-0.04091.4573-0.3961-0.85230.6133-0.17711.007-0.0835-0.06991.1321-0.26660.989339.5788-19.6668-6.7101
1201.6169-0.15290.82411.58930.24595.5142-0.2710.5667-0.07190.08650.0733-0.71480.04081.53290.4181.2280.2917-0.10990.752-0.19341.093843.631-10.92385.1435
1210.1841-0.39360.02460.8217-0.04390.2765-0.1606-0.5285-0.08241.3729-1.1804-0.78531.5030.44760.53411.37240.31940.13661.29490.17761.195550.332-10.9489-1.3063
1221.8263-0.07750.39620.00110.00371.61410.8868-0.45410.10970.3958-0.58780.02560.3976-0.16481.70791.49150.0931-0.30270.7547-0.46040.749431.333-3.550511.5306
1230.2407-0.3594-0.11370.52810.09080.28570.03920.3277-0.5348-0.92180.1996-0.71190.29220.1525-0.64391.8580.5335-0.00070.3172-0.82760.828748.6568-17.8419-4.2406
1240.1402-0.28170.20610.4356-0.31730.2254-0.35890.27220.423-0.3538-0.3506-0.57010.37261.1661-0.08341.27320.3009-0.01251.0565-0.12941.072346.4678-20.17827.6397
1252.0431-0.84040.81512.67430.24780.60990.5756-0.7687-0.85030.4235-0.76450.09480.21760.6329-0.22371.219-0.0354-0.14440.7998-0.17930.536621.230710.7709-11.1939
1260.8335-0.12751.55312.1752-0.26215.0162-0.2541-0.230.31610.0089-0.00290.15030.1701-0.59990.27540.5561-0.04020.03060.5531-0.19160.546421.007720.8619-9.5844
1272.7726-2.7955-2.08833.22540.91854.5352-0.2972-0.6355-0.23850.3951-0.18821.2181.0218-0.21630.42170.54610.03110.06971.2391-0.27850.740219.116418.46890.2728
1283.1854-0.18780.2312.5165-0.16471.6822-0.18180.1732-0.6549-0.92530.3760.31581.4892-0.7096-0.26071.3309-0.3408-0.11960.7907-0.11390.708829.6085-9.9091-6.689
1295.2964-2.2538-1.85541.10670.2312.9317-0.25190.5169-1.0939-0.13240.1049-0.0436-1.1663-0.7981-0.0820.5833-0.06050.14940.8281-0.04090.690314.336334.65533.7991
1304.41583.36513.26632.89632.01293.2180.3046-0.76590.0910.2321-2.04752.18730.0374-2.05381.13830.85390.0060.11281.8408-0.19211.2264-10.111434.83487.342
1310.72791.0977-0.29761.7081-0.72941.879-0.04650.0860.31950.0493-0.44570.35410.3249-0.5046-0.62570.82760.4138-0.51691.1128-0.61720.97782.264638.7056.6946
1320.96120.30260.18181.74530.63040.2623-0.03480.155-0.2557-0.3617-1.11580.0174-0.56241.1155-0.11730.57740.1604-0.08441.18310.02440.819218.244445.74122.6473
1334.33520.469-3.35510.62380.24163.2560.8142-0.1798-0.4655-0.09150.6749-0.3258-0.25750.46440.51321.00210.2728-0.44191.2929-0.2270.8425.342339.4542-3.5648
1346.0516-1.0881-2.43543.8643-2.96094.14170.44211.8944-0.1796-1.4909-0.6141-0.22180.7747-0.1767-0.37951.00710.3147-0.04251.9418-0.05970.86741.804637.099-8.5621
1350.3207-0.7174-0.3862.10290.4190.88550.39860.07160.0941-0.3953-0.04860.33790.09240.19411.55520.69450.5108-0.06960.4798-0.54741.5265-1.254546.7481-0.91
1362.5535-0.9228-1.26071.4944-1.05892.5949-2.2756-0.71571.6661-1.75550.314-0.0036-0.13570.97120.62351.01740.0605-0.13990.9097-0.14680.88095.646844.59737.8638
1370.9585-0.77390.50290.7015-0.32450.3449-1.28930.18610.5482-0.39160.63080.1181-0.6757-0.10710.46361.32780.0276-0.20070.9519-0.26621.003-12.01836.684-0.1963
1382.39920.40030.94453.4781-1.63094.1654-1.21490.10510.1722-0.2834-0.39980.1562-0.3519-0.2298-3.06011.24520.295-0.23211.404-0.54170.6516.223336.1862-2.1215
1390.4805-0.9182-0.17532.94991.22870.7298-0.7739-0.021-1.0589-0.706-0.33061.2853-0.3836-0.5540.17840.98420.17630.28711.4651-0.09371.163520.361642.3803-9.3816
1401.97470.27831.7973.7376-0.0572.8754-0.7916-0.01860.26750.55220.23210.1174-0.20630.8995-0.13690.27960.1065-0.10531.0818-0.24760.74610.477132.7072-1.6741
1410.5417-0.9144-0.27151.60750.10291.9523-0.7418-0.2996-0.4495-0.53240.79441.24820.384-0.41350.34920.6481-0.1631-0.06581.3611-0.1641.2329-9.374529.84944.5058
1422.6439-2.5460.09152.7381-0.58840.73620.03490.2475-0.0505-0.2246-0.11210.3978-0.1762-0.22920.02970.8571-0.1254-0.10390.8039-0.2210.581-10.0355-6.078421.7759
1430.55520.19350.03422.40780.19941.3199-0.20160.230.0284-0.50690.09670.2278-0.0507-0.4133-0.00490.93570.1092-0.14251.2301-0.12620.6953-23.85449.6413-3.098
1441.41120.4046-0.55941.90140.96042.1470.06851.0529-0.622-0.2639-0.0604-0.15610.46370.51720.04081.14560.1499-0.14451.544-0.46360.8136-2.0962-21.0824.1853
1451.5081-0.28271.33030.4416-1.43764.35210.05860.9112-0.4554-0.3892-0.50290.04740.42150.95690.11181.05950.1003-0.04911.4309-0.40540.7645-7.6958-16.0332.7328
1462.79850.27151.17061.30511.63952.20590.57850.05030.2899-0.6139-0.38580.2714-0.25010.5384-0.27341.0786-0.19320.0011.5758-0.27750.7627-11.25365.8378-10.8949
1475.924-2.16674.27840.9752-2.28876.0289-0.99830.78030.02060.93330.3036-0.37720.90891.4305-0.65471.061-0.1060.04620.9399-0.54090.70363.0182-26.086823.7939
1482.28531.0281.08942.2509-1.08312.104-0.10670.8143-0.14370.5245-0.1414-0.20230.31480.60910.04511.13280.58360.10550.766-0.34281.022813.8192-30.851325.7332
1494.9335-1.21391.82634.92980.55046.07480.70110.38060.7930.23780.3277-0.22620.15120.4248-0.46910.8550.2388-0.06281.0347-0.49591.490515.9106-34.930715.362
1500.0168-0.0158-0.01360.01080.01570.02760.4496-0.1550.30440.4552-0.6186-0.94110.2287-0.498-0.18511.4837-0.0076-0.29192.1837-0.0161.684514.7164-46.310822.7445
1515.28380.981-4.38950.9837-1.37784.17890.41760.0795-1.01960.6686-0.6246-0.5281.2044-0.29820.43141.36460.1975-0.07291.4942-0.20140.918619.8849-38.423826.5295
1520.1583-0.28020.36360.5023-0.65240.8550.2846-1.21560.5287-0.48481.0892-0.00090.0654-0.3317-0.58271.21540.33630.4081.6503-0.09031.150311.4495-32.039532.9909
1533.70960.3707-0.81411.60041.24911.3103-1.0285-0.9656-1.52490.24821.0187-1.4530.27221.0316-0.1751.44910.5835-0.07282.18640.14641.329429.3471-30.513821.8752
1547.49735.0004-0.73448.45470.39691.11060.94050.41810.67650.8144-1.13631.17591.24630.78660.5821.3762-0.0775-0.08641.3090.04190.654511.1469-30.792420.0558
1553.448-2.62580.69872.024-0.60273.02160.43770.6258-2.08210.194-0.3769-0.02850.5122-0.7355-0.78180.58030.4612-0.3631.0847-0.11591.085311.4229-28.917319.3446
1562.40271.00670.62172.955-1.52461.5804-0.06860.98720.0803-0.6456-0.71170.46920.1912-0.43210.27380.7598-0.02590.15071.4478-0.09760.6404-46.1731103.510972.6424
1570.95840.7035-0.62881.9983-0.23842.13410.1390.54070.0295-0.4062-0.0786-0.14770.0962-0.45930.34720.7703-0.01080.03851.6487-0.13320.6146-37.803599.979773.068
1583.10521.8042-0.32485.0839-0.87171.80430.1742-1.7332-0.5848-1.0411-0.6327-0.66880.4851-0.46050.350.7890.14130.07881.4241-0.02450.6352-42.505195.867277.7125
1590.3989-0.8182-0.172.576-1.50974.07550.4840.04290.12791.0965-0.2807-0.032-0.3081-0.73650.31580.6907-0.1043-0.03471.4905-0.08390.7916-42.9942114.312876.8881
1601.10681.4779-0.40014.20750.08580.2913-0.8705-0.3552-0.0543-0.60980.10751.10060.7699-0.97660.20760.88390.09770.18321.4393-0.24230.8619-51.020484.485282.0653
1612.8071.10162.82532.73271.39122.89780.9957-0.4752-0.68411.5497-0.41590.0151-0.026-0.0716-0.40441.178-0.05210.11651.34840.06540.6953-53.981982.7819112.3859
1620.7266-0.77390.08011.39041.1182.68850.18750.7782-0.50450.18030.11160.543-0.275-0.97230.00320.9384-0.27360.30031.8713-0.29690.7004-58.411383.032197.7517
1638.0475-2.0042-1.59082.8223-0.29661.11850.4645-0.1429-0.26951.07370.77750.4961-0.2997-0.72811.19331.34520.42240.32111.5022-0.24950.6064-64.992586.8737103.1226
1642.6168-0.45131.45322.6448-1.41061.28540.01170.27890.38330.24320.37650.19550.9415-0.355-0.42521.0961-0.14840.10081.149-0.2410.6744-57.655883.5611102.349
1652.0249-0.2235-0.29271.9016-0.00871.9053-0.25512.126-0.6895-0.96120.62470.17890.9411-1.8031-0.05750.8656-0.19310.26081.46050.24310.8976-61.473174.0249101.2493
1661.4240.2181-0.25082.0904-1.59112.2805-0.1891-0.91130.52740.36670.22650.1059-0.49950.45470.20650.8073-0.13250.01911.2365-0.31590.7892-34.2655115.248491.0458
1672.05420.7803-1.07670.6045-1.27272.098-0.1038-0.39520.26520.12890.0392-0.0978-0.2482-0.2737-0.00410.730.0137-0.06021.4499-0.15720.6798-40.1532107.448795.7769
1682.99050.69540.74050.4876-0.25913.0701-0.0277-0.0186-0.9922-0.00580.02240.09290.2849-0.09160.21030.87950.0390.1381.306-0.27040.8577-45.704389.6659103.7378
1694.94211.9506-0.62456.24350.20654.51380.77420.9215-0.463-0.5483-0.9759-1.48941.33130.5609-0.02141.44440.13-0.19131.6409-0.43241.104-39.072785.5033110.225
1702.25661.0891-1.67671.1116-0.49263.3822-0.25390.1587-0.1377-0.36110.0006-0.2659-0.72750.21760.11810.73170.04290.13261.0989-0.22020.7794-28.9391120.51871.7869
1710.3509-0.05480.64051.9666-2.30783.64040.30350.2359-0.6474-0.0459-0.50450.5428-1.21221.22810.20961.2156-0.23750.15990.6697-0.10431.2902-4.557118.820268.3775
1720.88580.486-0.20180.5323-0.02922.15570.167-0.69661.01791.0106-0.14040.6663-0.3038-0.24160.18061.3324-0.29890.0850.9089-0.30571.1813-23.2432127.562470.3686
1734.6491.3709-2.80972.3370.94443.36460.7051-1.34370.041-0.149-0.6498-1.2479-0.17861.02380.52251.2233-0.4450.17661.7767-0.17491.5174-15.8989129.129980.2272
1740.1872-0.11950.49080.0732-0.3211.3541-0.03530.17410.92470.6328-0.2479-1.6568-1.0116-0.3675-0.16361.5313-0.43260.09761.84220.03571.8233-14.2078139.082973.0787
1752.4986-2.96161.48216.2215-2.99951.9488-0.60480.23821.83510.6808-0.7174-0.1123-0.9147-0.98020.540.939-0.1621-0.06711.08070.10470.9497-18.7339128.077863.759
1760.0708-0.0655-0.02220.09310.0620.073-1.3370.71571.24021.3020.8054-1.37210.42631.76971.08711.4939-0.1818-0.12961.31140.21961.4039-2.4944124.712773.6379
1773.6989-1.844-0.41034.3924-0.93451.51410.2323-0.18940.180.3629-0.65820.7393-0.6197-0.2218-0.32261.36620.40930.02120.7585-0.30170.2224-20.8023125.042775.5574
178-0.00030.0043-0.00290.1429-0.15790.16990.99260.74510.2066-0.00590.35540.1477-1.3318-1.1855-0.54082.54280.5199-0.42691.4406-0.47331.8946-35.3686133.917578.4338
1790.4541-0.03690.78970.88060.34531.5702-0.39350.05170.808-0.2661-0.726-0.4466-1.35590.13150.25390.7372-0.2075-0.07010.6769-0.01170.8775-25.0793121.881677.3434
1802.8306-2.08561.65412.80050.09212.34420.0368-0.305-0.8352-0.8957-0.1414-1.55760.9165-0.1019-0.15891.0888-0.0170.04610.87710.20181.2662-5.1387116.30573.6634
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'C' and (resid 1 through 25 )
2X-RAY DIFFRACTION2chain 'C' and (resid 26 through 90 )
3X-RAY DIFFRACTION3chain 'C' and (resid 91 through 101 )
4X-RAY DIFFRACTION4chain 'C' and (resid 102 through 113 )
5X-RAY DIFFRACTION5chain 'C' and (resid 114 through 128 )
6X-RAY DIFFRACTION6chain 'C' and (resid 129 through 163 )
7X-RAY DIFFRACTION7chain 'C' and (resid 164 through 174 )
8X-RAY DIFFRACTION8chain 'C' and (resid 175 through 197 )
9X-RAY DIFFRACTION9chain 'C' and (resid 198 through 213 )
10X-RAY DIFFRACTION10chain 'B' and (resid 1 through 16 )
11X-RAY DIFFRACTION11chain 'B' and (resid 17 through 39 )
12X-RAY DIFFRACTION12chain 'B' and (resid 40 through 67 )
13X-RAY DIFFRACTION13chain 'B' and (resid 68 through 91 )
14X-RAY DIFFRACTION14chain 'B' and (resid 92 through 111 )
15X-RAY DIFFRACTION15chain 'B' and (resid 112 through 150 )
16X-RAY DIFFRACTION16chain 'B' and (resid 151 through 170 )
17X-RAY DIFFRACTION17chain 'B' and (resid 171 through 180 )
18X-RAY DIFFRACTION18chain 'B' and (resid 181 through 220 )
19X-RAY DIFFRACTION19chain 'A' and (resid 30 through 40 )
20X-RAY DIFFRACTION20chain 'A' and (resid 41 through 62 )
21X-RAY DIFFRACTION21chain 'A' and (resid 63 through 70 )
22X-RAY DIFFRACTION22chain 'A' and (resid 71 through 82 )
23X-RAY DIFFRACTION23chain 'A' and (resid 83 through 104 )
24X-RAY DIFFRACTION24chain 'A' and (resid 105 through 118 )
25X-RAY DIFFRACTION25chain 'A' and (resid 119 through 133 )
26X-RAY DIFFRACTION26chain 'A' and (resid 134 through 139 )
27X-RAY DIFFRACTION27chain 'A' and (resid 140 through 146 )
28X-RAY DIFFRACTION28chain 'D' and (resid 1 through 75 )
29X-RAY DIFFRACTION29chain 'D' and (resid 76 through 113 )
30X-RAY DIFFRACTION30chain 'D' and (resid 114 through 213 )
31X-RAY DIFFRACTION31chain 'E' and (resid 1 through 16 )
32X-RAY DIFFRACTION32chain 'E' and (resid 17 through 39 )
33X-RAY DIFFRACTION33chain 'E' and (resid 40 through 51 )
34X-RAY DIFFRACTION34chain 'E' and (resid 52 through 91 )
35X-RAY DIFFRACTION35chain 'E' and (resid 92 through 111 )
36X-RAY DIFFRACTION36chain 'E' and (resid 112 through 124 )
37X-RAY DIFFRACTION37chain 'E' and (resid 125 through 150 )
38X-RAY DIFFRACTION38chain 'E' and (resid 151 through 180 )
39X-RAY DIFFRACTION39chain 'E' and (resid 181 through 205 )
40X-RAY DIFFRACTION40chain 'E' and (resid 206 through 220 )
41X-RAY DIFFRACTION41chain 'F' and (resid 30 through 40 )
42X-RAY DIFFRACTION42chain 'F' and (resid 41 through 49 )
43X-RAY DIFFRACTION43chain 'F' and (resid 50 through 70 )
44X-RAY DIFFRACTION44chain 'F' and (resid 71 through 82 )
45X-RAY DIFFRACTION45chain 'F' and (resid 83 through 94 )
46X-RAY DIFFRACTION46chain 'F' and (resid 95 through 118 )
47X-RAY DIFFRACTION47chain 'F' and (resid 119 through 133 )
48X-RAY DIFFRACTION48chain 'F' and (resid 134 through 146 )
49X-RAY DIFFRACTION49chain 'G' and (resid 1 through 90 )
50X-RAY DIFFRACTION50chain 'G' and (resid 91 through 113 )
51X-RAY DIFFRACTION51chain 'G' and (resid 114 through 150 )
52X-RAY DIFFRACTION52chain 'G' and (resid 151 through 213 )
53X-RAY DIFFRACTION53chain 'H' and (resid 1 through 83 )
54X-RAY DIFFRACTION54chain 'H' and (resid 84 through 124 )
55X-RAY DIFFRACTION55chain 'H' and (resid 125 through 216 )
56X-RAY DIFFRACTION56chain 'I' and (resid 30 through 49 )
57X-RAY DIFFRACTION57chain 'I' and (resid 50 through 62 )
58X-RAY DIFFRACTION58chain 'I' and (resid 63 through 70 )
59X-RAY DIFFRACTION59chain 'I' and (resid 71 through 82 )
60X-RAY DIFFRACTION60chain 'I' and (resid 83 through 94 )
61X-RAY DIFFRACTION61chain 'I' and (resid 95 through 104 )
62X-RAY DIFFRACTION62chain 'I' and (resid 105 through 127 )
63X-RAY DIFFRACTION63chain 'I' and (resid 128 through 139 )
64X-RAY DIFFRACTION64chain 'I' and (resid 140 through 146 )
65X-RAY DIFFRACTION65chain 'J' and (resid 1 through 25 )
66X-RAY DIFFRACTION66chain 'J' and (resid 26 through 38 )
67X-RAY DIFFRACTION67chain 'J' and (resid 39 through 75 )
68X-RAY DIFFRACTION68chain 'J' and (resid 76 through 90 )
69X-RAY DIFFRACTION69chain 'J' and (resid 91 through 101 )
70X-RAY DIFFRACTION70chain 'J' and (resid 102 through 113 )
71X-RAY DIFFRACTION71chain 'J' and (resid 114 through 128 )
72X-RAY DIFFRACTION72chain 'J' and (resid 129 through 150 )
73X-RAY DIFFRACTION73chain 'J' and (resid 151 through 163 )
74X-RAY DIFFRACTION74chain 'J' and (resid 164 through 197 )
75X-RAY DIFFRACTION75chain 'J' and (resid 198 through 213 )
76X-RAY DIFFRACTION76chain 'K' and (resid 1 through 83 )
77X-RAY DIFFRACTION77chain 'K' and (resid 84 through 124 )
78X-RAY DIFFRACTION78chain 'K' and (resid 125 through 150 )
79X-RAY DIFFRACTION79chain 'K' and (resid 151 through 218 )
80X-RAY DIFFRACTION80chain 'L' and (resid 30 through 70 )
81X-RAY DIFFRACTION81chain 'L' and (resid 71 through 82 )
82X-RAY DIFFRACTION82chain 'L' and (resid 83 through 94 )
83X-RAY DIFFRACTION83chain 'L' and (resid 95 through 110 )
84X-RAY DIFFRACTION84chain 'L' and (resid 111 through 127 )
85X-RAY DIFFRACTION85chain 'L' and (resid 128 through 133 )
86X-RAY DIFFRACTION86chain 'L' and (resid 134 through 146 )
87X-RAY DIFFRACTION87chain 'M' and (resid 1 through 61 )
88X-RAY DIFFRACTION88chain 'M' and (resid 62 through 90 )
89X-RAY DIFFRACTION89chain 'M' and (resid 91 through 113 )
90X-RAY DIFFRACTION90chain 'M' and (resid 114 through 128 )
91X-RAY DIFFRACTION91chain 'M' and (resid 129 through 174 )
92X-RAY DIFFRACTION92chain 'M' and (resid 175 through 197 )
93X-RAY DIFFRACTION93chain 'M' and (resid 198 through 213 )
94X-RAY DIFFRACTION94chain 'N' and (resid 1 through 17 )
95X-RAY DIFFRACTION95chain 'N' and (resid 18 through 60 )
96X-RAY DIFFRACTION96chain 'N' and (resid 61 through 73 )
97X-RAY DIFFRACTION97chain 'N' and (resid 74 through 99 )
98X-RAY DIFFRACTION98chain 'N' and (resid 100 through 124 )
99X-RAY DIFFRACTION99chain 'N' and (resid 125 through 170 )
100X-RAY DIFFRACTION100chain 'N' and (resid 171 through 195 )
101X-RAY DIFFRACTION101chain 'N' and (resid 196 through 215 )
102X-RAY DIFFRACTION102chain 'O' and (resid 30 through 40 )
103X-RAY DIFFRACTION103chain 'O' and (resid 41 through 49 )
104X-RAY DIFFRACTION104chain 'O' and (resid 50 through 62 )
105X-RAY DIFFRACTION105chain 'O' and (resid 63 through 70 )
106X-RAY DIFFRACTION106chain 'O' and (resid 71 through 82 )
107X-RAY DIFFRACTION107chain 'O' and (resid 83 through 94 )
108X-RAY DIFFRACTION108chain 'O' and (resid 95 through 110 )
109X-RAY DIFFRACTION109chain 'O' and (resid 111 through 118 )
110X-RAY DIFFRACTION110chain 'O' and (resid 119 through 127 )
111X-RAY DIFFRACTION111chain 'O' and (resid 128 through 133 )
112X-RAY DIFFRACTION112chain 'O' and (resid 134 through 139 )
113X-RAY DIFFRACTION113chain 'O' and (resid 140 through 146 )
114X-RAY DIFFRACTION114chain 'P' and (resid 1 through 38 )
115X-RAY DIFFRACTION115chain 'P' and (resid 39 through 75 )
116X-RAY DIFFRACTION116chain 'P' and (resid 76 through 90 )
117X-RAY DIFFRACTION117chain 'P' and (resid 91 through 101 )
118X-RAY DIFFRACTION118chain 'P' and (resid 102 through 113 )
119X-RAY DIFFRACTION119chain 'P' and (resid 114 through 128 )
120X-RAY DIFFRACTION120chain 'P' and (resid 129 through 150 )
121X-RAY DIFFRACTION121chain 'P' and (resid 151 through 163 )
122X-RAY DIFFRACTION122chain 'P' and (resid 164 through 174 )
123X-RAY DIFFRACTION123chain 'P' and (resid 175 through 197 )
124X-RAY DIFFRACTION124chain 'P' and (resid 198 through 213 )
125X-RAY DIFFRACTION125chain 'Q' and (resid 1 through 16 )
126X-RAY DIFFRACTION126chain 'Q' and (resid 17 through 91 )
127X-RAY DIFFRACTION127chain 'Q' and (resid 92 through 111 )
128X-RAY DIFFRACTION128chain 'Q' and (resid 112 through 216 )
129X-RAY DIFFRACTION129chain 'R' and (resid 30 through 40 )
130X-RAY DIFFRACTION130chain 'R' and (resid 41 through 49 )
131X-RAY DIFFRACTION131chain 'R' and (resid 50 through 55 )
132X-RAY DIFFRACTION132chain 'R' and (resid 56 through 62 )
133X-RAY DIFFRACTION133chain 'R' and (resid 63 through 70 )
134X-RAY DIFFRACTION134chain 'R' and (resid 71 through 82 )
135X-RAY DIFFRACTION135chain 'R' and (resid 83 through 99 )
136X-RAY DIFFRACTION136chain 'R' and (resid 100 through 110 )
137X-RAY DIFFRACTION137chain 'R' and (resid 111 through 118 )
138X-RAY DIFFRACTION138chain 'R' and (resid 119 through 127 )
139X-RAY DIFFRACTION139chain 'R' and (resid 128 through 133 )
140X-RAY DIFFRACTION140chain 'R' and (resid 134 through 139 )
141X-RAY DIFFRACTION141chain 'R' and (resid 140 through 146 )
142X-RAY DIFFRACTION142chain 'V' and (resid 1 through 90 )
143X-RAY DIFFRACTION143chain 'V' and (resid 91 through 213 )
144X-RAY DIFFRACTION144chain 'W' and (resid 1 through 83 )
145X-RAY DIFFRACTION145chain 'W' and (resid 84 through 124 )
146X-RAY DIFFRACTION146chain 'W' and (resid 125 through 217 )
147X-RAY DIFFRACTION147chain 'X' and (resid 30 through 40 )
148X-RAY DIFFRACTION148chain 'X' and (resid 41 through 70 )
149X-RAY DIFFRACTION149chain 'X' and (resid 71 through 82 )
150X-RAY DIFFRACTION150chain 'X' and (resid 83 through 90 )
151X-RAY DIFFRACTION151chain 'X' and (resid 91 through 99 )
152X-RAY DIFFRACTION152chain 'X' and (resid 100 through 110 )
153X-RAY DIFFRACTION153chain 'X' and (resid 111 through 118 )
154X-RAY DIFFRACTION154chain 'X' and (resid 119 through 127 )
155X-RAY DIFFRACTION155chain 'X' and (resid 128 through 146 )
156X-RAY DIFFRACTION156chain 'S' and (resid 1 through 38 )
157X-RAY DIFFRACTION157chain 'S' and (resid 39 through 75 )
158X-RAY DIFFRACTION158chain 'S' and (resid 76 through 90 )
159X-RAY DIFFRACTION159chain 'S' and (resid 91 through 101 )
160X-RAY DIFFRACTION160chain 'S' and (resid 102 through 113 )
161X-RAY DIFFRACTION161chain 'S' and (resid 114 through 128 )
162X-RAY DIFFRACTION162chain 'S' and (resid 129 through 150 )
163X-RAY DIFFRACTION163chain 'S' and (resid 151 through 163 )
164X-RAY DIFFRACTION164chain 'S' and (resid 164 through 197 )
165X-RAY DIFFRACTION165chain 'S' and (resid 198 through 213 )
166X-RAY DIFFRACTION166chain 'T' and (resid 1 through 77 )
167X-RAY DIFFRACTION167chain 'T' and (resid 78 through 139 )
168X-RAY DIFFRACTION168chain 'T' and (resid 140 through 190 )
169X-RAY DIFFRACTION169chain 'T' and (resid 191 through 218 )
170X-RAY DIFFRACTION170chain 'Y' and (resid 30 through 40 )
171X-RAY DIFFRACTION171chain 'Y' and (resid 41 through 49 )
172X-RAY DIFFRACTION172chain 'Y' and (resid 50 through 70 )
173X-RAY DIFFRACTION173chain 'Y' and (resid 71 through 82 )
174X-RAY DIFFRACTION174chain 'Y' and (resid 83 through 94 )
175X-RAY DIFFRACTION175chain 'Y' and (resid 95 through 110 )
176X-RAY DIFFRACTION176chain 'Y' and (resid 111 through 118 )
177X-RAY DIFFRACTION177chain 'Y' and (resid 119 through 127 )
178X-RAY DIFFRACTION178chain 'Y' and (resid 128 through 133 )
179X-RAY DIFFRACTION179chain 'Y' and (resid 134 through 139 )
180X-RAY DIFFRACTION180chain 'Y' and (resid 140 through 146 )

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