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- PDB-9qt3: Structure of vaccinia virus A26 (residues 1-397) in complex with ... -

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Basic information

Entry
Database: PDB / ID: 9qt3
TitleStructure of vaccinia virus A26 (residues 1-397) in complex with Fab 8M2110
Components
  • Anti-Fab VHH
  • Envelop protein OPG153
  • Heavy chain of Fab 8M2110
  • Light chain of Fab 8M2110
KeywordsVIRAL PROTEIN / vaccinia virus mpox virus orthopoxvirus neutralizing antibody
Function / homologyOrthopoxvirus A26L/A30L / Orthopoxvirus A26L/A30L protein / Chordopoxvirus fusion protein/multifunctional envelope protein A27 / Chordopoxvirus multifunctional envelope protein A27 / fusion of virus membrane with host plasma membrane / viral envelope / virion membrane / membrane / Envelop protein OPG153
Function and homology information
Biological speciesVaccinia virus Western Reserve
Homo sapiens (human)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å
AuthorsGuardado-Calvo, P. / Battini, L.
Funding support France, 1items
OrganizationGrant numberCountry
Agence Nationale de la Recherche (ANR)ANR-22-CE11-0003 France
CitationJournal: To Be Published
Title: Structure of vaccinia virus A26 (residues 1-397) in complex with Fab 8M2110
Authors: Guardado-Calvo, P. / Battini, L.
History
DepositionApr 7, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 19, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Envelop protein OPG153
B: Heavy chain of Fab 8M2110
C: Light chain of Fab 8M2110
D: Anti-Fab VHH
E: Envelop protein OPG153
F: Heavy chain of Fab 8M2110
G: Light chain of Fab 8M2110
H: Anti-Fab VHH
I: Envelop protein OPG153
J: Heavy chain of Fab 8M2110
K: Light chain of Fab 8M2110
L: Anti-Fab VHH
M: Envelop protein OPG153
N: Heavy chain of Fab 8M2110
O: Light chain of Fab 8M2110
P: Anti-Fab VHH


Theoretical massNumber of molelcules
Total (without water)452,72516
Polymers452,72516
Non-polymers00
Water7,800433
1
A: Envelop protein OPG153
B: Heavy chain of Fab 8M2110
C: Light chain of Fab 8M2110
D: Anti-Fab VHH


Theoretical massNumber of molelcules
Total (without water)113,1814
Polymers113,1814
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: Envelop protein OPG153
F: Heavy chain of Fab 8M2110
G: Light chain of Fab 8M2110
H: Anti-Fab VHH


Theoretical massNumber of molelcules
Total (without water)113,1814
Polymers113,1814
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
I: Envelop protein OPG153
J: Heavy chain of Fab 8M2110
K: Light chain of Fab 8M2110
L: Anti-Fab VHH


Theoretical massNumber of molelcules
Total (without water)113,1814
Polymers113,1814
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
M: Envelop protein OPG153
N: Heavy chain of Fab 8M2110
O: Light chain of Fab 8M2110
P: Anti-Fab VHH


Theoretical massNumber of molelcules
Total (without water)113,1814
Polymers113,1814
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)119.405, 119.405, 632.812
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Space group name HallP322"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3
#4: x-y,-y,-z+1/3
#5: -x,-x+y,-z+2/3
#6: y,x,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 15 through 321 or resid 327 through 364))
d_2ens_1(chain "E" and (resid 15 through 321 or resid 327 through 364))
d_3ens_1chain "I"
d_4ens_1(chain "M" and (resid 15 through 321 or resid 327 through 364))
d_1ens_2chain "B"
d_2ens_2chain "F"
d_3ens_2chain "J"
d_4ens_2chain "N"
d_1ens_3chain "C"
d_2ens_3chain "G"
d_3ens_3chain "K"
d_4ens_3chain "O"
d_1ens_4chain "D"
d_2ens_4chain "H"
d_3ens_4chain "L"
d_4ens_4chain "P"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1VALVALASPASPAA15 - 32115 - 321
d_12ens_1HISHISASNASNAA327 - 364327 - 364
d_21ens_1VALVALASPASPEE15 - 32115 - 321
d_22ens_1HISHISASNASNEE327 - 364327 - 364
d_31ens_1VALVALASNASNII15 - 36415 - 364
d_41ens_1VALVALASPASPMM15 - 32115 - 321
d_42ens_1HISHISASNASNMM327 - 364327 - 364
d_11ens_2GLNGLNPROPROBB20 - 2441 - 225
d_21ens_2GLNGLNPROPROFF20 - 2441 - 225
d_31ens_2GLNGLNPROPROJJ20 - 2441 - 225
d_41ens_2GLNGLNPROPRONN20 - 2441 - 225
d_11ens_3ASPASPGLUGLUCC20 - 2321 - 213
d_21ens_3ASPASPGLUGLUGG20 - 2321 - 213
d_31ens_3ASPASPGLUGLUKK20 - 2321 - 213
d_41ens_3ASPASPGLUGLUOO20 - 2321 - 213
d_11ens_4VALVALSERSERDD2 - 1134 - 123
d_21ens_4VALVALSERSERHH2 - 1134 - 123
d_31ens_4VALVALSERSERLL2 - 1134 - 123
d_41ens_4VALVALSERSERPP2 - 1134 - 123

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4

NCS oper:
IDCodeMatrixVector
1given(0.448781325537, -0.843904999911, 0.29397223164), (-0.842949798317, -0.508982401638, -0.174277228407), (0.296700116898, -0.169591467796, -0.939791346355)-43.1930468098, -15.1146361485, 167.591086504
2given(0.465709168212, 0.83381102767, -0.296435727906), (-0.850399873637, 0.514348488456, 0.110750563617), (0.244816309838, 0.200511352692, 0.948609599297)20.1517743476, -47.1152053713, -34.6050075571
3given(-0.548896896716, -0.78979037927, 0.273757837493), (-0.795303095841, 0.392630502491, -0.461881233933), (0.257303677629, -0.471245631626, -0.843636398072)-61.304414438, 2.05707736699, 112.193255408
4given(0.464712945108, -0.839106791688, 0.282739581225), (-0.837839516519, -0.520007417685, -0.16618432571), (0.286473075886, -0.159662386603, -0.944691007207)-41.3010484099, -15.5387835283, 167.34185032
5given(0.464381674079, 0.835458522165, -0.293868539525), (-0.837790911989, 0.521991592266, 0.160097362227), (0.287151612512, 0.171854110647, 0.942342886685)19.582212145, -50.1313070952, -31.5517566154
6given(-0.475840739449, -0.824384830174, 0.306537505796), (-0.86071967338, 0.364769023629, -0.355112944368), (0.18093433764, -0.432820067903, -0.883136203699)-58.9960932124, -11.8951762083, 110.524945328
7given(0.462165773727, -0.839425349218, 0.285950836133), (-0.837791352967, -0.519010230256, -0.169511149434), (0.290703365114, -0.161224886353, -0.943132063675)-41.7296687745, -15.264301792, 167.56954819
8given(0.458762261074, 0.835753626504, -0.30175000182), (-0.836811575839, 0.52056796241, 0.169574122593), (0.298803571523, 0.174713686632, 0.938185244687)19.9032066301, -50.8965275726, -30.3465298536
9given(-0.467314947469, -0.801045497515, 0.374089362029), (-0.873115994282, 0.351697281554, -0.337605513399), (0.13887116476, -0.484391508037, -0.863759032682)-64.95157739, -13.6371831216, 106.120042125
10given(0.474069656648, -0.823312328861, 0.312113392522), (-0.831684579022, -0.535091283609, -0.1482500564), (0.289065255025, -0.189299042131, -0.938406708728)-43.8811453664, -16.3278014007, 167.83520583
11given(0.455030987821, 0.841000465563, -0.292685867517), (-0.83476261928, 0.51729727305, 0.18861309803), (0.310029304382, 0.158498417082, 0.937422040602)18.4817559738, -52.5345162662, -28.9270015573
12given(-0.39643192955, -0.814573473694, 0.423452218305), (-0.909833839588, 0.286967190302, -0.299753592189), (0.122654431528, -0.504103052603, -0.854889468167)-63.5739557975, -18.5411022646, 103.711746066

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Components

#1: Protein
Envelop protein OPG153


Mass: 52359.859 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vaccinia virus Western Reserve / Gene: OPG153, VACWR149, A26L / Production host: Escherichia coli (E. coli) / References: UniProt: P24758
#2: Antibody
Heavy chain of Fab 8M2110


Mass: 23980.904 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): expi293 / Production host: Homo sapiens (human)
#3: Antibody
Light chain of Fab 8M2110


Mass: 23449.838 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): expi293 / Production host: Homo sapiens (human)
#4: Antibody
Anti-Fab VHH


Mass: 13390.644 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 433 / 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: 2.88 Å3/Da / Density % sol: 57.24 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / Details: 20% (w/v) PEG 3350, 0.2 M ammonium citrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.978565 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 1, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978565 Å / Relative weight: 1
ReflectionResolution: 2.9→39.08 Å / Num. obs: 223523 / % possible obs: 100 % / Redundancy: 18 % / Biso Wilson estimate: 41.97 Å2 / CC1/2: 0.987 / Net I/σ(I): 8.6
Reflection shellResolution: 2.9→2.95 Å / Num. unique obs: 5717 / CC1/2: 0.638

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.9→39.08 Å / SU ML: 0.3341 / Cross valid method: FREE R-VALUE / σ(F): 0.02 / Phase error: 23.9404
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2357 11388 5.09 %
Rwork0.2005 212135 -
obs0.2023 223523 99.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 42.92 Å2
Refinement stepCycle: LAST / Resolution: 2.9→39.08 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28269 0 0 433 28702
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001928934
X-RAY DIFFRACTIONf_angle_d0.50339234
X-RAY DIFFRACTIONf_chiral_restr0.04234285
X-RAY DIFFRACTIONf_plane_restr0.00365022
X-RAY DIFFRACTIONf_dihedral_angle_d12.138310430
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.509134627187
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.581095945621
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS0.642931853179
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.558179412726
ens_2d_3BBX-RAY DIFFRACTIONTorsion NCS0.453034917634
ens_2d_4BBX-RAY DIFFRACTIONTorsion NCS1.15847072494
ens_3d_2CCX-RAY DIFFRACTIONTorsion NCS0.561390696955
ens_3d_3CCX-RAY DIFFRACTIONTorsion NCS0.549566515338
ens_3d_4CCX-RAY DIFFRACTIONTorsion NCS1.14497862726
ens_4d_2DDX-RAY DIFFRACTIONTorsion NCS0.51243386912
ens_4d_3DDX-RAY DIFFRACTIONTorsion NCS0.5482130829
ens_4d_4DDX-RAY DIFFRACTIONTorsion NCS0.694441613929
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.9-2.930.35593400.3076995X-RAY DIFFRACTION99.92
2.93-2.970.3154520.29697048X-RAY DIFFRACTION99.99
2.97-30.32063240.28747137X-RAY DIFFRACTION100
3-3.040.33723280.3057166X-RAY DIFFRACTION100
3.04-3.080.33583700.29937040X-RAY DIFFRACTION99.99
3.08-3.120.34073990.28597075X-RAY DIFFRACTION99.99
3.12-3.170.28963040.27367103X-RAY DIFFRACTION99.99
3.17-3.220.31554200.26687121X-RAY DIFFRACTION100
3.22-3.270.30844220.25896941X-RAY DIFFRACTION99.99
3.27-3.320.29633480.2587209X-RAY DIFFRACTION100
3.32-3.380.30634350.25896889X-RAY DIFFRACTION100
3.38-3.440.28893920.26277133X-RAY DIFFRACTION100
3.44-3.50.25333640.23297202X-RAY DIFFRACTION100
3.5-3.580.27663640.22136959X-RAY DIFFRACTION100
3.58-3.650.2613500.20777079X-RAY DIFFRACTION99.97
3.65-3.740.24873500.19667154X-RAY DIFFRACTION100
3.74-3.830.23213760.19517062X-RAY DIFFRACTION100
3.83-3.930.22364080.18496988X-RAY DIFFRACTION100
3.94-4.050.21373860.17567132X-RAY DIFFRACTION100
4.05-4.180.19183630.16177070X-RAY DIFFRACTION100
4.18-4.330.18714080.14897029X-RAY DIFFRACTION100
4.33-4.50.18354280.14127043X-RAY DIFFRACTION100
4.5-4.710.16743830.14077072X-RAY DIFFRACTION100
4.71-4.960.16943960.13457103X-RAY DIFFRACTION100
4.96-5.270.16783040.14957101X-RAY DIFFRACTION100
5.27-5.670.19333900.16657099X-RAY DIFFRACTION99.99
5.67-6.240.21963960.18747045X-RAY DIFFRACTION99.99
6.24-7.140.21883830.19817062X-RAY DIFFRACTION99.96
7.14-8.980.19144500.17187027X-RAY DIFFRACTION100
8.98-39.080.2083550.17227051X-RAY DIFFRACTION99.5
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)
10.507987914356-0.134523588682-0.07265593034611.271409597490.02983274282751.00688103840.01529105923240.0639755490101-0.0738658204594-0.0528440134538-0.02678095336210.06377704076280.107259453462-0.06947596639660.0498617830970.320681788576-0.0475495786881-0.00595992695370.255784865161-0.05663405416090.267607043138-53.9904767445-17.944472867461.1179211837
20.638508862534-0.175865809471-0.1780367998920.5023392635170.2859260973690.417650236394-0.05366846439350.1779687802080.0600266566797-0.172564594123-0.05688122694650.154368743149-0.0233780037277-0.2402088958630.03656463014010.278408314271-0.00737926732804-0.05853166838260.359047024244-0.07369614162850.32893752698-85.32273033542.9247733311287.8679783942
30.725218148089-0.245235283590.06223589688930.9734623314270.02379776592010.46324885193-0.0423490397609-0.005634902023760.0921255857940.005041376113960.005040147725450.238392929588-0.0864147556653-0.1956529281890.0005461478631140.2439136536730.0475323517376-0.007747038687040.257143017017-0.05762238247530.312629130428-77.533486439117.462994180496.7638441704
41.68002292355-0.01664617868320.01395223619931.523485243030.5817315380730.898992250758-0.0447945319481-0.1591040528340.1284352365860.1585299317880.0995883236247-0.00262313757939-0.2161429854460.063302685772-0.006132806113440.4496532941890.119018372677-0.06889878427970.315702478789-0.07332250513880.412610554387-67.708868770142.543693489106.035262792
50.9713719840820.1893503423650.1013081178810.7706811139230.06384110845660.922391029966-0.0166693866764-0.04283449622420.0577347312823-0.01278123698720.0444481547155-0.0728246129321-0.14848732810.0635670452828-0.00424996388210.306538871154-0.0242606990380.0277226227750.190293828112-0.06574611865080.261490396886-34.313154804528.879326556697.1772704159
60.206450580124-0.05214003532170.2763792488220.3402038871180.0728425381960.769921429774-0.05030902398890.08079018854110.07495140099040.11734529899-0.04656894057190.143253848038-0.160481960113-0.0767798344066-0.01577797608680.4024055890040.02550464042570.007960508148750.283531867169-0.00979532565340.357382114299-58.562741141639.824954847659.4257506366
71.24041203474-0.05223414315290.462927621050.4876781760510.219382291910.499687892354-0.03816846971060.09657867787460.1997881396160.000465907100559-0.07029118126290.159653023033-0.080572768453-0.135764530163-0.004509803435080.2710089337370.0100368018796-0.00440621206320.286096725872-0.01084325756440.31770485118-64.551915695224.226453023450.9519804322
81.18954595045-0.3564717070990.5028121855071.701631713830.1789854578050.5390475338620.06987778200470.319729146973-0.326668240115-0.139413543167-0.1658910128380.3736393371360.119615070583-0.07124717374650.02804981597650.3480509969160.0133213679322-0.0394205583390.528195201903-0.1935986052650.539282303953-77.91198504791.5031520457840.7057119974
91.57017206030.0116314647396-0.06031992217750.970833799755-0.01802713813241.69965531706-0.01247555829540.344203347379-0.40046151836-0.1150568237920.03145257320890.1218787169910.340158116559-0.3083531681050.0279342103910.44019227775-0.153240633604-0.002449400435390.48715679783-0.1214696045020.382909178188-38.0299484082-3.661654222356.5077169298
100.844917868963-0.01603192256360.01009684577030.5300631379730.08305888692390.522409050335-0.09270981313830.350579232930.145947087239-0.1630356609650.00683577437342-0.0505710466634-0.12840686793-0.063915122433-0.02029717550180.359789255825-0.0231771244141-0.01813941979750.4258018334740.08685209725320.309685337219-43.41838356736.945527934827.2509490074
110.7315038220670.0888723622984-0.01072331095120.3783215731440.1352046457790.493812613316-0.06643226878730.1160006364320.292605629383-0.04302201762340.04751588392470.0286336244836-0.147688492713-0.0136938969543-0.02094196096570.374798048148-0.0334102764215-0.02244723935670.2847443231970.03746603934760.388276667592-30.268185345539.483191611640.3186802093
121.452904696860.07597536489510.4878354228861.46857132468-0.129441520511.177425892790.0271165821116-0.09330420793680.1728606918860.09016757930970.07371607947970.09801720213880.00510494790310.0277303464853-0.02311424427510.412385604522-0.05828690336970.03499809595260.249085766815-0.07542796408870.344418241949-7.5854823625945.992674477356.2209330442
130.98627014573-0.154093444006-0.1195450450921.050241484890.05160013096150.911626617444-0.0308297088473-0.0347594615163-0.07083132276160.1538960875640.0131175188324-0.1449664792680.007898405891860.1164753308030.02706149670940.27384754428-0.0111222622641-0.00524010990770.219703778025-0.02340298184540.2160643766-0.5721214719889.7026290922355.0096925357
140.556875711390.273076969256-0.01747240829290.282395841855-0.2884933672851.049188474180.00107096064752-0.0496168146710.08632250188950.0303799598797-0.0350056953119-0.0490760019986-0.2772290956260.04970805021750.02359011147730.3868277998550.001124756777280.07679736861590.323478397046-0.04798648229470.3116621679026.1269226506731.405380344616.221750266
150.5292286071440.01930566774120.2145852957760.194380682903-0.07372844806431.2243910426-0.04157606189640.1136780054930.20792830091-0.111106863940.04202141118690.0546479514921-0.186362585511-0.03665157898040.006507005225440.382177673-0.008952838806980.02855661560940.3703800196760.01341169706550.334948385948-6.5125045245627.53197514693.31555310322
161.439966745330.6061302148270.502614589561.024397069230.2515864343861.62546131793-0.007252544648820.4276840097250.40263694021-0.06622990769140.070908003882-0.1087307075330.0959509829402-0.393081333276-0.003462634323330.5208242410790.00839485841627-0.02360530730710.6682955936150.1222617336880.422674892894-26.483792762823.4885008551-16.6866628455
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain 'A' and resid 15 through 364)AA15 - 3641 - 346
22(chain 'B' and resid 20 through 244)BB20 - 2441 - 219
33(chain 'C' and resid 20 through 232)CC20 - 2321 - 213
44(chain 'D' and resid 2 through 113)DD2 - 1131 - 120
55(chain 'E' and resid 15 through 364)EE15 - 3641 - 346
66(chain 'F' and resid 20 through 244)FF20 - 2441 - 219
77(chain 'G' and resid 20 through 232)GG20 - 2321 - 213
88(chain 'H' and resid 2 through 113)HH2 - 1131 - 120
99(chain 'I' and resid 15 through 364)II15 - 3641 - 345
1010(chain 'J' and resid 20 through 244)JJ20 - 2441 - 219
1111(chain 'K' and resid 20 through 232)KK20 - 2321 - 213
1212(chain 'L' and resid 2 through 113)LL2 - 1131 - 120
1313(chain 'M' and resid 15 through 364)MM15 - 3641 - 350
1414(chain 'N' and resid 20 through 244)NN20 - 2441 - 219
1515(chain 'O' and resid 20 through 232)OO20 - 2321 - 213
1616(chain 'P' and resid 2 through 113)PP2 - 1131 - 120

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