Ncbi-mime-asn1 ::= strucseq { structure { id { mmdb-id 34700 }, descr { name "1Z40", pdb-comment "remark 3: Refinement.", pdb-comment "remark 3: Program : Refmac 5.2.0005", pdb-comment "remark 3: Authors : Murshudov,Vagin,Dodson", pdb-comment "remark 3: Refinement Target : Maximum Likelihood", pdb-comment "remark 3: Data Used In Refinement.", pdb-comment "remark 3: Resolution Range High (Angstroms) : 1.90", pdb-comment "remark 3: Resolution Range Low (Angstroms) : 39.22", pdb-comment "remark 3: Data Cutoff (Sigma(F)) : Null", pdb-comment "remark 3: Completeness For Range (%) : 99.3", pdb-comment "remark 3: Number Of Reflections : 51869", pdb-comment "remark 3: Fit To Data Used In Refinement.", pdb-comment "remark 3: Cross-Validation Method : Throughout", pdb-comment "remark 3: Free R Value Test Set Selection : Random", pdb-comment "remark 3: R Value (Working + Test Set) : 0.195", pdb-comment "remark 3: R Value (Working Set) : 0.192", pdb-comment "remark 3: Free R Value : 0.236", pdb-comment "remark 3: Free R Value Test Set Size (%) : 5.100", pdb-comment "remark 3: Free R Value Test Set Count : 2770", pdb-comment "remark 3: Fit In The Highest Resolution Bin.", pdb-comment "remark 3: Total Number Of Bins Used : 20", pdb-comment "remark 3: Bin Resolution Range High : 1.90", pdb-comment "remark 3: Bin Resolution Range Low : 1.95", pdb-comment "remark 3: Reflection In Bin (Working Set) : 3688", pdb-comment "remark 3: Bin Completeness (Working+test) (%) : 100.00", pdb-comment "remark 3: Bin R Value (Working Set) : 0.2010", pdb-comment "remark 3: Bin Free R Value Set Count : 210", pdb-comment "remark 3: Bin Free R Value : 0.2360", pdb-comment "remark 3: Number Of Non-Hydrogen Atoms Used In Refinement.", pdb-comment "remark 3: All Atoms : 5136", pdb-comment "remark 3: B Values.", pdb-comment "remark 3: From Wilson Plot (A2) : Null", pdb-comment "remark 3: Mean B Value (Overall, A2) : 37.81", pdb-comment "remark 3: Overall Anisotropic B Value.", pdb-comment "remark 3: B11 (A2) : 0.66000", pdb-comment "remark 3: B22 (A2) : 0.66000", pdb-comment "remark 3: B33 (A2) : -0.99000", pdb-comment "remark 3: B12 (A2) : 0.33000", pdb-comment "remark 3: B13 (A2) : 0.00000", pdb-comment "remark 3: B23 (A2) : 0.00000", pdb-comment "remark 3: Estimated Overall Coordinate Error.", pdb-comment "remark 3: Esu Based On R Value (A): 0.151", pdb-comment "remark 3: Esu Based On Free R Value (A): 0.144", pdb-comment "remark 3: Esu Based On Maximum Likelihood (A): 0.105", pdb-comment "remark 3: Esu For B Values Based On Maximum Likelihood (A2): 6.857", pdb-comment "remark 3: Correlation Coefficients.", pdb-comment "remark 3: Correlation Coefficient Fo-Fc : 0.953", pdb-comment "remark 3: Correlation Coefficient Fo-Fc Free : 0.929", pdb-comment "remark 3: Rms Deviations From Ideal Values Count Rms Weig", pdb-comment "remark 3: Bond Lengths Refined Atoms (A): 5013 ; 0.015 ; 0.02", pdb-comment "remark 3: Bond Lengths Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Bond Angles Refined Atoms (Degrees): 6802 ; 1.436 ; 1.94", pdb-comment "remark 3: Bond Angles Others (Degrees): Null ; Null ; Nul", pdb-comment "remark 3: Torsion Angles, Period 1 (Degrees): 609 ; 6.360 ; 5.00", pdb-comment "remark 3: Torsion Angles, Period 2 (Degrees): 245 ;39.430 ;25.46", pdb-comment "remark 3: Torsion Angles, Period 3 (Degrees): 824 ;14.885 ;15.00", pdb-comment "remark 3: Torsion Angles, Period 4 (Degrees): 13 ;13.910 ;15.00", pdb-comment "remark 3: Chiral-Center Restraints (A3): 719 ; 0.103 ; 0.20", pdb-comment "remark 3: General Planes Refined Atoms (A): 3875 ; 0.006 ; 0.02", pdb-comment "remark 3: General Planes Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Non-Bonded Contacts Refined Atoms (A): 2190 ; 0.197 ; 0.20", pdb-comment "remark 3: Non-Bonded Contacts Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Non-Bonded Torsion Refined Atoms (A): 3381 ; 0.308 ; 0.20", pdb-comment "remark 3: Non-Bonded Torsion Others (A): Null ; Null ; Nul", pdb-comment "remark 3: H-Bond (X...Y) Refined Atoms (A): 315 ; 0.136 ; 0.20", pdb-comment "remark 3: H-Bond (X...Y) Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Potential Metal-Ion Refined Atoms (A): Null ; Null ; Nul", pdb-comment "remark 3: Potential Metal-Ion Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Symmetry Vdw Refined Atoms (A): 50 ; 0.200 ; 0.20", pdb-comment "remark 3: Symmetry Vdw Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Symmetry H-Bond Refined Atoms (A): 11 ; 0.247 ; 0.20", pdb-comment "remark 3: Symmetry H-Bond Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Symmetry Metal-Ion Refined Atoms (A): Null ; Null ; Nul", pdb-comment "remark 3: Symmetry Metal-Ion Others (A): Null ; Null ; Nul", pdb-comment "remark 3: Isotropic Thermal Factor Restraints. Count Rms Weig", pdb-comment "remark 3: Main-Chain Bond Refined Atoms (A2): 3175 ; 0.930 ; 1.50", pdb-comment "remark 3: Main-Chain Bond Other Atoms (A2): Null ; Null ; Nul", pdb-comment "remark 3: Main-Chain Angle Refined Atoms (A2): 4972 ; 1.441 ; 2.00", pdb-comment "remark 3: Side-Chain Bond Refined Atoms (A2): 2119 ; 2.225 ; 3.00", pdb-comment "remark 3: Side-Chain Angle Refined Atoms (A2): 1830 ; 3.404 ; 4.50", pdb-comment "remark 3: Anisotropic Thermal Factor Restraints. Count Rms Weigh", pdb-comment "remark 3: Rigid-Bond Restraints (A2): Null ; Null ; Nul", pdb-comment "remark 3: Sphericity; Free Atoms (A2): Null ; Null ; Nul", pdb-comment "remark 3: Sphericity; Bonded Atoms (A2): Null ; Null ; Nul", pdb-comment "remark 3: Ncs Restraints Statistics", pdb-comment "remark 3: Number Of Different Ncs Groups : 0", pdb-comment "remark 3: Tls Details", pdb-comment "remark 3: Number Of Tls Groups : 2", pdb-comment "remark 3: Tls Group : 1", pdb-comment "remark 3: Number Of Components Group : 1", pdb-comment "remark 3: Components C Ssseqi To C Ssseqi", pdb-comment "remark 3: Residue Range : A 108 A 438", pdb-comment "remark 3: Origin For The Group (A): 5.3350 13.2290 46.4080", pdb-comment "remark 3: T Tensor", pdb-comment "remark 3: T11: -0.2214 T22: -0.1121", pdb-comment "remark 3: T33: -0.1719 T12: -0.1307", pdb-comment "remark 3: T13: 0.0199 T23: 0.0183", pdb-comment "remark 3: L Tensor", pdb-comment "remark 3: L11: 1.3840 L22: 3.1935", pdb-comment "remark 3: L33: 3.1096 L12: 0.9707", pdb-comment "remark 3: L13: 0.0500 L23: 1.7491", pdb-comment "remark 3: S Tensor", pdb-comment "remark 3: S11: -0.1525 S12: -0.0029 S13: -0.1546", pdb-comment "remark 3: S21: -0.1545 S22: 0.0405 S23: -0.0554", pdb-comment "remark 3: S31: 0.0623 S32: 0.0365 S33: 0.1119", pdb-comment "remark 3: Tls Group : 2", pdb-comment "remark 3: Number Of Components Group : 1", pdb-comment "remark 3: Components C Ssseqi To C Ssseqi", pdb-comment "remark 3: Residue Range : E 108 E 438", pdb-comment "remark 3: Origin For The Group (A): 18.1890 11.5340 81.4020", pdb-comment "remark 3: T Tensor", pdb-comment "remark 3: T11: -0.2753 T22: 0.0308", pdb-comment "remark 3: T33: -0.2079 T12: -0.0463", pdb-comment "remark 3: T13: -0.0402 T23: 0.0158", pdb-comment "remark 3: L Tensor", pdb-comment "remark 3: L11: 4.3892 L22: 1.3656", pdb-comment "remark 3: L33: 3.3188 L12: 0.7430", pdb-comment "remark 3: L13: -1.5274 L23: -1.0165", pdb-comment "remark 3: S Tensor", pdb-comment "remark 3: S11: -0.1002 S12: -0.2137 S13: 0.1117", pdb-comment "remark 3: S21: 0.0096 S22: 0.0601 S23: -0.0253", pdb-comment "remark 3: S31: -0.1034 S32: -0.0191 S33: 0.0401", pdb-comment "remark 3: Bulk Solvent Modelling.", pdb-comment "remark 3: Method Used : Mask", pdb-comment "remark 3: Parameters For Mask Calculation", pdb-comment "remark 3: Vdw Probe Radius : 1.20", pdb-comment "remark 3: Ion Probe Radius : 0.80", pdb-comment "remark 3: Shrinkage Radius : 0.80", pdb-comment "remark 3: Other Refinement Remarks: Hydrogens Have Been Added In The", pdb-comment "remark 3: Riding Positions", pdb-comment "remark 4: 1z40 Complies With Format V. 2.3, 09-July-1998", pdb-comment "remark 100: This Entry Has Been Processed By Rcsb On 29-Mar-2005.", pdb-comment "remark 100: The Rcsb Id Code Is Rcsb032269.", pdb-comment "remark 200: Experimental Details", pdb-comment "remark 200: Experiment Type : X-Ray Diffraction", pdb-comment "remark 200: Date Of Data Collection : 01-Jan-2004", pdb-comment "remark 200: Temperature (Kelvin) : 100.0", pdb-comment "remark 200: Ph : 6.00", pdb-comment "remark 200: Number Of Crystals Used : 1", pdb-comment "remark 200: Synchrotron (YN) : Y", pdb-comment "remark 200: Radiation Source : Nsls", pdb-comment "remark 200: Beamline : X25", pdb-comment "remark 200: X-Ray Generator Model : Null", pdb-comment "remark 200: Monochromatic Or Laue (ML) : M", pdb-comment "remark 200: Wavelength Or Range (A) : 1.100", pdb-comment "remark 200: Monochromator : Si 111 Channel", pdb-comment "remark 200: Optics : Null", pdb-comment "remark 200: Detector Type : Ccd", pdb-comment "remark 200: Detector Manufacturer : Adsc Q315", pdb-comment "remark 200: Intensity-Integration Software : Hkl-2000", pdb-comment "remark 200: Data Scaling Software : Scalepack", pdb-comment "remark 200: Number Of Unique Reflections : 54498", pdb-comment "remark 200: Resolution Range High (A) : 1.900", pdb-comment "remark 200: Resolution Range Low (A) : 39.220", pdb-comment "remark 200: Rejection Criteria (Sigma(I)) : -3.000", pdb-comment "remark 200: Overall.", pdb-comment "remark 200: Completeness For Range (%) : 99.7", pdb-comment "remark 200: Data Redundancy : 9.500", pdb-comment "remark 200: R Merge (I) : Null", pdb-comment "remark 200: R Sym (I) : 0.06200", pdb-comment "remark 200: FOR THE DATA SET : 30.0000", pdb-comment "remark 200: In The Highest Resolution Shell.", pdb-comment "remark 200: Highest Resolution Shell, Range High (A) : 1.90", pdb-comment "remark 200: Highest Resolution Shell, Range Low (A) : 1.97", pdb-comment "remark 200: Completeness For Shell (%) : 100.0", pdb-comment "remark 200: Data Redundancy In Shell : 11.00", pdb-comment "remark 200: R Merge For Shell (I) : Null", pdb-comment "remark 200: R Sym For Shell (I) : 0.30000", pdb-comment "remark 200: FOR SHELL : 11.000", pdb-comment "remark 200: Diffraction Protocol: Single Wavelength", pdb-comment "remark 200: Method Used To Determine The Structure: Miras", pdb-comment "remark 200: Software Used: Mlphare", pdb-comment "remark 200: Starting Model: Null", pdb-comment "remark 200: Remark: Null", pdb-comment "remark 280: Crystal", pdb-comment "remark 280: Solvent Content, Vs (%): Null", pdb-comment "remark 280: Matthews Coefficient, Vm (Angstroms3DA): NULL", pdb-comment "remark 280: Crystallization Conditions: Peg 3350, Mes, Manganese Chloride", pdb-comment "remark 280: Ph 6.0, Vapor Diffusion, Hanging Drop, Temperature 320k", pdb-comment "remark 290: Crystallographic Symmetry", pdb-comment "remark 290: Symmetry Operators For Space Group: P 31", pdb-comment "remark 290: Symop Symmetry", pdb-comment "remark 290: Nnnmmm Operator", pdb-comment "remark 290: 1555 X,Y,Z", pdb-comment "remark 290: 2555 -Y,X-Y,13+Z", pdb-comment "remark 290: 3555 -X+y,-X,23+Z", pdb-comment "remark 290: Where Nnn -> Operator Number", pdb-comment "remark 290: Mmm -> Translation Vector", pdb-comment "remark 290: Crystallographic Symmetry Transformations", pdb-comment "remark 290: The Following Transformations Operate On The AtomHETATM", pdb-comment "remark 290: Records In This Entry To Produce Crystallographically", pdb-comment "remark 290: Related Molecules.", pdb-comment "remark 290: Smtry1 1 1.000000 0.000000 0.000000 0.00000", pdb-comment "remark 290: Smtry2 1 0.000000 1.000000 0.000000 0.00000", pdb-comment "remark 290: Smtry3 1 0.000000 0.000000 1.000000 0.00000", pdb-comment "remark 290: Smtry1 2 -0.500000 -0.866025 0.000000 0.00000", pdb-comment "remark 290: Smtry2 2 0.866025 -0.500000 0.000000 0.00000", pdb-comment "remark 290: Smtry3 2 0.000000 0.000000 1.000000 71.38133", pdb-comment "remark 290: Smtry1 3 -0.500000 0.866025 0.000000 0.00000", pdb-comment "remark 290: Smtry2 3 -0.866025 -0.500000 0.000000 0.00000", pdb-comment "remark 290: Smtry3 3 0.000000 0.000000 1.000000 142.76267", pdb-comment "remark 290: Remark: Null", pdb-comment "remark 300: Biomolecule: 1", pdb-comment "remark 300: This Entry Contains The Crystallographic Asymmetric Unit", pdb-comment "remark 300: Which Consists Of 2 Chain(S). See Remark 350 For", pdb-comment "remark 300: Information On Generating The Biological Molecule(S).", pdb-comment "remark 350: Generating The Biomolecule", pdb-comment "remark 350: Coordinates For A Complete Multimer Representing The Known", pdb-comment "remark 350: Biologically Significant Oligomerization State Of The", pdb-comment "remark 350: Molecule Can Be Generated By Applying Biomt Transformations", pdb-comment "remark 350: Given Below. Both Non-Crystallographic And", pdb-comment "remark 350: Crystallographic Operations Are Given.", pdb-comment "remark 350: Biomolecule: 1", pdb-comment "remark 350: Apply The Following To Chains: A, E", pdb-comment "remark 350: Biomt1 1 1.000000 0.000000 0.000000 0.00000", pdb-comment "remark 350: Biomt2 1 0.000000 1.000000 0.000000 0.00000", pdb-comment "remark 350: Biomt3 1 0.000000 0.000000 1.000000 0.00000", pdb-comment "remark 465: Missing Residues", pdb-comment "remark 465: The Following Residues Were Not Located In The", pdb-comment "remark 465: Experiment. (Mmodel Number; Resresidue Name; Cchain", pdb-comment "remark 465: Identifier; Ssseqsequence Number; Iinsertion Code.)", pdb-comment "remark 465: M Res C Ssseqi", pdb-comment "remark 465: Gly A 103", pdb-comment "remark 465: Asn A 104", pdb-comment "remark 465: Tyr A 105", pdb-comment "remark 465: Met A 106", pdb-comment "remark 465: Gly A 107", pdb-comment "remark 465: Gly A 172", pdb-comment "remark 465: Asn A 173", pdb-comment "remark 465: Gln A 174", pdb-comment "remark 465: Tyr A 175", pdb-comment "remark 465: Leu A 176", pdb-comment "remark 465: Asn A 264", pdb-comment "remark 465: Lys A 265", pdb-comment "remark 465: Asp A 266", pdb-comment "remark 465: Glu A 267", pdb-comment "remark 465: Ser A 268", pdb-comment "remark 465: Lys A 269", pdb-comment "remark 465: Arg A 270", pdb-comment "remark 465: Asn A 271", pdb-comment "remark 465: Ser A 272", pdb-comment "remark 465: Met A 273", pdb-comment "remark 465: Gly A 383", pdb-comment "remark 465: Ala A 384", pdb-comment "remark 465: Phe A 385", pdb-comment "remark 465: Lys A 386", pdb-comment "remark 465: Ala A 387", pdb-comment "remark 465: Gly E 103", pdb-comment "remark 465: Asn E 104", pdb-comment "remark 465: Tyr E 105", pdb-comment "remark 465: Met E 106", pdb-comment "remark 465: Gly E 107", pdb-comment "remark 465: Gly E 172", pdb-comment "remark 465: Asn E 173", pdb-comment "remark 465: Gln E 174", pdb-comment "remark 465: Tyr E 175", pdb-comment "remark 465: Leu E 176", pdb-comment "remark 465: Gly E 259", pdb-comment "remark 465: Pro E 260", pdb-comment "remark 465: Arg E 261", pdb-comment "remark 465: Tyr E 262", pdb-comment "remark 465: Cys E 263", pdb-comment "remark 465: Asn E 264", pdb-comment "remark 465: Lys E 265", pdb-comment "remark 465: Asp E 266", pdb-comment "remark 465: Glu E 267", pdb-comment "remark 465: Ser E 268", pdb-comment "remark 465: Lys E 269", pdb-comment "remark 465: Arg E 270", pdb-comment "remark 465: Asn E 271", pdb-comment "remark 465: Ser E 272", pdb-comment "remark 465: Thr E 382", pdb-comment "remark 465: Gly E 383", pdb-comment "remark 465: Ala E 384", pdb-comment "remark 465: Phe E 385", pdb-comment "remark 465: Lys E 386", pdb-comment "remark 465: Ala E 387", pdb-comment "remark 470: Missing Atom", pdb-comment "remark 470: The Following Residues Have Missing Atoms(Mmodel Number;", pdb-comment "remark 470: Resresidue Name; Cchain Identifier; Sseqsequence Number;", pdb-comment "remark 470: Iinsertion Code):", pdb-comment "remark 470: M Res Csseqi Atoms", pdb-comment "remark 470: Lys A 177 Cg Cd Ce Nz", pdb-comment "remark 470: Lys A 206 Ce Nz", pdb-comment "remark 470: Lys A 230 Cg Cd Ce Nz", pdb-comment "remark 470: Lys A 243 Ce Nz", pdb-comment "remark 470: Arg A 261 Cg Cd Ne Cz Nh1 Nh2", pdb-comment "remark 470: Tyr A 262 Cg Cd1 Cd2 Ce1 Ce2 Cz Oh", pdb-comment "remark 470: Gln A 352 Cg Cd Oe1 Ne2", pdb-comment "remark 470: Tyr A 353 Cg Cd1 Cd2 Ce1 Ce2 Cz Oh", pdb-comment "remark 470: Gln A 355 Cg Cd Oe1 Ne2", pdb-comment "remark 470: Asn A 371 Cg Od1 Nd2", pdb-comment "remark 470: Glu A 438 O", pdb-comment "remark 470: Lys E 177 Cg Cd Ce Nz", pdb-comment "remark 470: Asp E 178 Cg Od1 Od2", pdb-comment "remark 470: Lys E 203 Cg Cd Ce Nz", pdb-comment "remark 470: Lys E 206 Ce Nz", pdb-comment "remark 470: Tyr E 207 Cg Cd1 Cd2 Ce1 Ce2 Cz Oh", pdb-comment "remark 470: Asn E 258 Cg Od1 Nd2", pdb-comment "remark 470: Lys E 300 Ce Nz", pdb-comment "remark 470: Gln E 352 Cg Cd Oe1 Ne2", pdb-comment "remark 470: Tyr E 353 Cg Cd1 Cd2 Ce1 Ce2 Cz Oh", pdb-comment "remark 470: Gln E 355 Cg Cd Oe1 Ne2", pdb-comment "remark 470: Lys E 370 Cd Ce Nz", pdb-comment "remark 470: Arg E 389 Cz Nh1 Nh2", pdb-comment "remark 500: Geometry And Stereochemistry", pdb-comment "remark 500: Subtopic: Covalent Bond Lengths", pdb-comment "remark 500: The Stereochemical Parameters Of The Following Residues", pdb-comment "remark 500: Have Values Which Deviate From Expected Values By More", pdb-comment "remark 500: Than 6Rmsd (Mmodel Number; Resresidue Name; Cchain", pdb-comment "remark 500: Identifier; Sseqsequence Number; Iinsertion Code).", pdb-comment "remark 500: Standard Table:", pdb-comment "remark 500: Format: (10x,I3,1x,2(A3,1x,A1,I4,A1,1x,A4,3x),F6.3)", pdb-comment "remark 500: Expected Values: Engh And Huber, 1991", pdb-comment "remark 500: M Res Csseqi Atm1 Res Csseqi Atm2 Deviation", pdb-comment "remark 500: Val A 137 Cb Val A 137 Cg2 0.090", pdb-comment "remark 500: Ala A 378 C Ala A 378 O 0.090", pdb-comment "remark 500: Val E 129 Cb Val E 129 Cg1 0.093", pdb-comment "remark 500: Geometry And Stereochemistry", pdb-comment "remark 500: Subtopic: Covalent Bond Angles", pdb-comment "remark 500: The Stereochemical Parameters Of The Following Residues", pdb-comment "remark 500: Have Values Which Deviate From Expected Values By More", pdb-comment "remark 500: Than 6Rmsd (Mmodel Number; Resresidue Name; Cchain", pdb-comment "remark 500: Identifier; Sseqsequence Number; Iinsertion Code).", pdb-comment "remark 500: Standard Table:", pdb-comment "remark 500: Format: (10x,I3,1x,A3,1x,A1,I4,A1,3(1x,A4,2x),12x,F5.1)", pdb-comment "remark 500: Expected Values: Engh And Huber, 1991", pdb-comment "remark 500: M Res Csseqi Atm1 Atm2 Atm3", pdb-comment "remark 500: Lys A 305 Cd - Ce - Nz Angl. Dev. -8.6 Degrees", pdb-comment "remark 500: Phe E 274 N - Ca - C Angl. Dev. 11.1 Degrees", pdb-comment "Dbref 1z40 A 104 438 Gb 23508535 Np_701204 104 438", pdb-comment "Dbref 1z40 E 104 438 Gb 23508535 Np_701204 104 438", pdb-comment "Seqadv 1z40 Gly A 103 Gb 23508535 Cloning Artifact", pdb-comment "Seqadv 1z40 Gly E 103 Gb 23508535 Cloning Artifact", pdb-comment "Cispep 1 Glu A 187 Pro A 188 0 -2.06", pdb-comment "Cispep 2 Ser A 191 Pro A 192 0 -5.95", pdb-comment "Cispep 3 Glu E 187 Pro E 188 0 -2.03", pdb-comment "Cispep 4 Ser E 191 Pro E 192 0 -3.85", history { data-source { name-of-database "Protein Data Bank", version-of-database release-date std { year 2005, month 9, day 13 }, database-entry-id other-database { db "PDB", tag str "1Z40" }, database-entry-date std { year 2005, month 3, day 14 } } }, attribution sub { authors { names std { { name name { last "Bai", full "T.Bai", initials "T." } }, { name name { last "Becker", full "M.Becker", initials "M." } }, { name name { last "Gupta", full "A.Gupta", initials "A." } }, { name name { last "Strike", full "P.Strike", initials "P." } }, { name name { last "Murphy", full "V.J.Murphy", initials "V.J." } }, { name name { last "Anders", full "R.F.Anders", initials "R.F." } }, { name name { last "Batchelor", full "A.H.Batchelor", initials "A.H." } } } }, imp { date std { year 2005, month 3, day 14 } } }, attribution equiv { article { title { name "Structure of AMA1 from Plasmodium falciparum reveals a clustering of polymorphisms that surround a conserved hydrophobic pocket." }, authors { names std { { name name { last "Bai", initials "T." } }, { name name { last "Becker", initials "M." } }, { name name { last "Gupta", initials "A." } }, { name name { last "Strike", initials "P." } }, { name name { last "Murphy", initials "V.J." } }, { name name { last "Anders", initials "R.F." } }, { name name { last "Batchelor", initials "A.H." } } }, affil str "University of Maryland School of Pharmacy, 20 Penn Street, Baltimore, MD 21201, USA." }, from journal { title { iso-jta "Proc. Natl. Acad. Sci. U.S.A.", ml-jta "Proc Natl Acad Sci U S A", issn "0027-8424", name "Proceedings of the National Academy of Sciences of the United States of America." }, imp { date std { year 2005, month 9, day 6 }, volume "102", issue "36", pages "12736-12741", language "eng", pubstatus ppublish, history { { pubstatus aheadofprint, date std { year 2005, month 8, day 29 } }, { pubstatus pubmed, date std { year 2005, month 9, day 1, hour 9, minute 0 } }, { pubstatus medline, date std { year 2005, month 9, day 1, hour 9, minute 0 } } } } }, ids { pii "0501808102", doi "10.1073/pnas.0501808102", pubmed 16129835 } }, pmid 16129835 } }, chemical-graph { descr { name "Ama1 From Plasmodium Falciparum", pdb-class "Unknown Function", pdb-source "Mol_id: 1; Organism_scientific: Plasmodium Falciparum 3d7; Gene: Plasmodium Falciparum; Expression_system: Escherichia Coli; Expression_system_common: Bacteria; Expression_system_strain: Bl21(De3); Expression_system_vector_type: Plasmid; Expression_system_plasmid: Pproexhtb", pdb-comment "Ama1 From Plasmodium Falciparum Malaria Vaccine Candidate, Pan Or Apple Domains Mol_id: 1; Molecule: Apical Membrane Antigen 1 Precursor; Chain: A, E; Fragment: Domain I & Domain Ii; Engineered: Yes", assembly-type other }, molecule-graphs { { id 1, descr { name "A", pdb-comment "SEQRES", molecule-type protein, organism { org { taxname "Plasmodium falciparum 3D7", db { { db "taxon", tag id 36329 } }, orgname { name binomial { genus "Plasmodium", species "falciparum" }, lineage "Eukaryota; Alveolata; Apicomplexa; Haemosporida; Plasmodium", gcode 1, mgcode 4, div "INV" } } } }, seq-id gi 75765674, residue-sequence { { id 1, name " ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 24 } }, { id 2, name " ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 7 } }, { id 3, name " ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 55 } }, { id 4, name " ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 37 } }, { id 5, name " ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 22 } }, { id 6, name " 108 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 7 } }, { id 7, name " 109 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 43 } }, { id 8, name " 110 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 52 } }, { id 9, name " 111 ", residue-graph standard { 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", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 49 } }, { id 328, name " 430 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 1 } }, { id 329, name " 431 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 31 } }, { id 330, name " 432 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 46 } }, { id 331, name " 433 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 25 } }, { id 332, name " 434 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 43 } }, { id 333, name " 435 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 28 } }, { id 334, name " 436 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 19 } }, { id 335, name " 437 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 58 } }, { id 336, name " 438 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 20 } } }, inter-residue-bonds { { atom-id-1 { molecule-id 1, residue-id 6, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 7, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 7, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 8, atom-id 20 } }, { atom-id-1 { molecule-id 1, residue-id 8, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 9, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 9, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 10, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 10, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 11, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 11, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 12, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 12, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 13, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 13, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 14, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 14, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 15, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 15, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 16, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 16, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 17, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 17, atom-id 1 }, atom-id-2 { 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1, residue-id 61, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 62, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 62, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 63, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 63, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 64, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 64, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 65, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 65, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 66, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 66, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 67, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 67, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 68, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 68, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 69, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 75, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 76, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 76, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 77, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 77, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 78, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 78, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 79, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 79, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 80, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 80, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 81, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 81, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 82, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 82, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 83, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 83, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 84, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 84, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 85, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 85, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 86, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 86, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 87, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 87, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 88, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 88, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 89, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 89, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 90, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 90, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 91, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 91, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 92, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 92, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 93, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 93, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 94, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 94, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 95, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 95, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 96, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 96, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 97, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 97, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 98, atom-id 13 } }, { atom-id-1 { molecule-id 1, residue-id 98, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 99, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 99, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 100, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 100, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 101, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 101, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 102, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 102, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 103, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 103, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 104, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 104, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 105, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 105, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 106, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 106, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 107, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 107, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 108, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 108, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 109, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 109, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 110, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 110, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 111, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 111, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 112, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 112, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 113, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 113, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 114, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 114, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 115, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 115, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 116, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 116, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 117, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 117, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 118, atom-id 13 } }, { atom-id-1 { molecule-id 1, residue-id 118, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 119, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 119, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 120, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 120, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 121, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 121, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 122, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 122, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 123, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 123, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 124, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 124, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 125, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 125, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 126, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 126, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 127, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 127, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 128, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 128, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 129, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 129, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 130, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 130, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 131, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 131, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 132, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 132, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 133, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 133, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 134, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 134, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 135, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 135, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 136, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 136, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 137, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 137, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 138, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 138, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 139, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 139, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 140, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 140, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 141, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 141, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 142, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 142, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 143, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 143, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 144, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 144, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 145, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 145, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 146, atom-id 13 } }, { atom-id-1 { molecule-id 1, residue-id 146, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 147, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 147, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 148, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 148, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 149, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 149, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 150, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 150, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 151, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 151, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 152, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 152, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 153, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 153, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 154, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 154, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 155, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 155, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 156, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 156, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 157, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 157, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 158, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 158, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 159, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 159, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 160, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 160, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 161, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 172, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 173, atom-id 7 } }, { atom-id-1 { 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1, residue-id 182, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 182, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 183, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 183, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 184, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 184, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 185, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 185, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 186, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 186, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 187, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 187, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 188, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 188, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 189, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 189, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 190, atom-id 9 } }, { atom-id-1 { molecule-id 1, 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atom-id-1 { molecule-id 1, residue-id 233, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 234, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 234, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 235, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 235, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 236, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 236, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 237, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 237, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 238, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 238, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 239, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 239, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 240, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 240, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 241, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 241, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 242, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 242, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 243, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 243, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 244, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 244, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 245, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 245, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 246, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 246, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 247, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 247, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 248, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 248, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 249, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 249, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 250, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 250, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 251, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 251, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 252, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 252, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 253, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 253, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 254, atom-id 13 } }, { atom-id-1 { molecule-id 1, residue-id 254, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 255, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 255, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 256, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 256, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 257, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 257, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 258, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 258, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 259, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 259, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 260, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 260, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 261, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 261, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 262, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 262, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 263, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 263, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 264, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 264, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 265, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 265, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 266, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 266, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 267, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 267, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 268, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 268, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 269, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 269, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 270, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 270, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 271, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 271, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 272, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 272, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 273, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 273, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 274, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 274, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 275, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 275, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 276, atom-id 6 } }, { atom-id-1 { molecule-id 1, residue-id 276, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 277, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 277, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 278, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 278, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 279, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 279, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 280, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 286, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 287, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 287, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 288, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 288, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 289, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 289, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 290, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 290, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 291, atom-id 13 } }, { atom-id-1 { molecule-id 1, residue-id 291, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 292, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 292, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 293, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 293, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 294, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 294, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 295, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 295, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 296, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 296, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 297, atom-id 20 } }, { atom-id-1 { molecule-id 1, residue-id 297, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 298, atom-id 4 } }, { atom-id-1 { molecule-id 1, residue-id 298, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 299, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 299, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 300, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 300, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 301, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 301, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 302, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 302, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 303, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 303, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 304, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 304, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 305, atom-id 8 } }, { atom-id-1 { molecule-id 1, residue-id 305, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 306, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 306, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 307, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 307, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 308, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 308, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 309, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 309, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 310, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 310, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 311, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 311, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 312, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 312, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 313, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 313, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 314, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 314, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 315, atom-id 9 } }, { atom-id-1 { molecule-id 1, residue-id 315, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 316, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 316, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 317, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 317, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 318, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 318, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 319, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 319, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 320, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 320, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 321, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 321, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 322, atom-id 7 } }, { atom-id-1 { molecule-id 1, residue-id 322, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 323, atom-id 17 } }, { atom-id-1 { molecule-id 1, residue-id 323, atom-id 1 }, atom-id-2 { molecule-id 1, residue-id 324, atom-id 10 } }, { atom-id-1 { molecule-id 1, residue-id 324, atom-id 1 }, atom-id-2 { molecule-id 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tag id 1 }, residue-graph-id 7 } }, { id 312, name " 414 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 58 } }, { id 313, name " 415 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 34 } }, { id 314, name " 416 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 43 } }, { id 315, name " 417 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 49 } }, { id 316, name " 418 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 13 } }, { id 317, name " 419 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 31 } }, { id 318, name " 420 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 28 } }, { id 319, name " 421 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 7 } }, { id 320, name " 422 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 7 } }, { id 321, name " 423 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 46 } }, { id 322, name " 424 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 46 } }, { id 323, name " 425 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 55 } }, { id 324, name " 426 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 28 } }, { id 325, name " 427 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 1 } }, { id 326, name " 428 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 49 } }, { id 327, name " 429 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 49 } }, { id 328, name " 430 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 1 } }, { id 329, name " 431 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 31 } }, { id 330, name " 432 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 46 } }, { id 331, name " 433 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 25 } }, { id 332, name " 434 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 43 } }, { id 333, name " 435 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 28 } }, { id 334, name " 436 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 19 } }, { id 335, name " 437 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 58 } }, { id 336, name " 438 ", residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary", tag id 1 }, residue-graph-id 20 } } }, inter-residue-bonds { { atom-id-1 { molecule-id 2, residue-id 6, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 7, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 7, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 8, atom-id 20 } }, { atom-id-1 { molecule-id 2, residue-id 8, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 9, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 9, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 10, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 10, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 11, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 11, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 12, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 12, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 13, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 13, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 14, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 14, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 15, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 15, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 16, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 16, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 17, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 17, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 18, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 18, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 19, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 19, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 20, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 20, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 21, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 21, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 22, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 22, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 23, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 23, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 24, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 24, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 25, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 25, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 26, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 26, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 27, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 27, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 28, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 28, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 29, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 29, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 30, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 30, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 31, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 31, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 32, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 32, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 33, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 33, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 34, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 34, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 35, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 35, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 36, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 36, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 37, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 37, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 38, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 38, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 39, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 39, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 40, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 40, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 41, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 41, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 42, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 42, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 43, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 43, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 44, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 44, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 45, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 45, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 46, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 46, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 47, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 47, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 48, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 48, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 49, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 49, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 50, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 50, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 51, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 51, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 52, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 52, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 53, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 53, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 54, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 54, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 55, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 55, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 56, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 56, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 57, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 57, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 58, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 58, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 59, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 59, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 60, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 60, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 61, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 61, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 62, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 62, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 63, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 63, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 64, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 64, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 65, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 65, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 66, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 66, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 67, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 67, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 68, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 68, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 69, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 75, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 76, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 76, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 77, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 77, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 78, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 78, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 79, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 79, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 80, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 80, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 81, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 81, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 82, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 82, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 83, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 83, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 84, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 84, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 85, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 85, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 86, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 86, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 87, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 87, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 88, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 88, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 89, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 89, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 90, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 90, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 91, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 91, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 92, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 92, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 93, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 93, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 94, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 94, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 95, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 95, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 96, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 96, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 97, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 97, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 98, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 98, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 99, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 99, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 100, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 100, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 101, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 101, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 102, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 102, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 103, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 103, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 104, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 104, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 105, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 105, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 106, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 106, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 107, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 107, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 108, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 108, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 109, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 109, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 110, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 110, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 111, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 111, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 112, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 112, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 113, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 113, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 114, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 114, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 115, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 115, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 116, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 116, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 117, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 117, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 118, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 118, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 119, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 119, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 120, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 120, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 121, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 121, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 122, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 122, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 123, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 123, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 124, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 124, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 125, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 125, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 126, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 126, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 127, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 127, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 128, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 128, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 129, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 129, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 130, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 130, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 131, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 131, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 132, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 132, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 133, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 133, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 134, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 134, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 135, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 135, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 136, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 136, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 137, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 137, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 138, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 138, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 139, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 139, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 140, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 140, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 141, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 141, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 142, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 142, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 143, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 143, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 144, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 144, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 145, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 145, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 146, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 146, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 147, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 147, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 148, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 148, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 149, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 149, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 150, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 150, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 151, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 151, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 152, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 152, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 153, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 153, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 154, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 154, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 155, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 155, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 156, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 171, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 172, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 172, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 173, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 173, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 174, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 174, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 175, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 175, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 176, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 176, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 177, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 177, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 178, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 178, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 179, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 179, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 180, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 180, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 181, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 181, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 182, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 182, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 183, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 183, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 184, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 184, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 185, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 185, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 186, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 186, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 187, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 187, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 188, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 188, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 189, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 189, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 190, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 190, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 191, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 191, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 192, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 192, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 193, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 193, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 194, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 194, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 195, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 195, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 196, atom-id 20 } }, { atom-id-1 { molecule-id 2, residue-id 196, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 197, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 197, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 198, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 198, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 199, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 199, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 200, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 200, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 201, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 201, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 202, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 202, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 203, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 203, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 204, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 204, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 205, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 205, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 206, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 206, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 207, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 207, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 208, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 208, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 209, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 209, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 210, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 210, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 211, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 211, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 212, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 212, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 213, atom-id 20 } }, { atom-id-1 { molecule-id 2, residue-id 213, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 214, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 214, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 215, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 215, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 216, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 216, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 217, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 217, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 218, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 218, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 219, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 219, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 220, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 220, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 221, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 221, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 222, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 222, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 223, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 223, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 224, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 224, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 225, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 225, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 226, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 226, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 227, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 227, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 228, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 228, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 229, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 229, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 230, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 230, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 231, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 231, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 232, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 232, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 233, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 233, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 234, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 234, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 235, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 235, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 236, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 236, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 237, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 237, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 238, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 238, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 239, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 239, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 240, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 240, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 241, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 241, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 242, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 242, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 243, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 243, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 244, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 244, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 245, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 245, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 246, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 246, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 247, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 247, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 248, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 248, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 249, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 249, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 250, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 250, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 251, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 251, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 252, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 252, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 253, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 253, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 254, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 254, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 255, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 255, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 256, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 256, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 257, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 257, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 258, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 258, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 259, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 259, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 260, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 260, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 261, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 261, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 262, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 262, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 263, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 263, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 264, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 264, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 265, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 265, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 266, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 266, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 267, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 267, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 268, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 268, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 269, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 269, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 270, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 270, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 271, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 271, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 272, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 272, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 273, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 273, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 274, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 274, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 275, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 275, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 276, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 276, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 277, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 277, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 278, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 278, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 279, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 286, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 287, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 287, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 288, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 288, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 289, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 289, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 290, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 290, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 291, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 291, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 292, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 292, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 293, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 293, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 294, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 294, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 295, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 295, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 296, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 296, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 297, atom-id 20 } }, { atom-id-1 { molecule-id 2, residue-id 297, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 298, atom-id 4 } }, { atom-id-1 { molecule-id 2, residue-id 298, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 299, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 299, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 300, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 300, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 301, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 301, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 302, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 302, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 303, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 303, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 304, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 304, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 305, atom-id 8 } }, { atom-id-1 { molecule-id 2, residue-id 305, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 306, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 306, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 307, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 307, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 308, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 308, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 309, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 309, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 310, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 310, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 311, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 311, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 312, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 312, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 313, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 313, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 314, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 314, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 315, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 315, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 316, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 316, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 317, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 317, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 318, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 318, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 319, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 319, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 320, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 320, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 321, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 321, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 322, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 322, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 323, atom-id 17 } }, { atom-id-1 { molecule-id 2, residue-id 323, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 324, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 324, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 325, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 325, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 326, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 326, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 327, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 327, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 328, atom-id 6 } }, { atom-id-1 { molecule-id 2, residue-id 328, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 329, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 329, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 330, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 330, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 331, atom-id 13 } }, { atom-id-1 { molecule-id 2, residue-id 331, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 332, atom-id 7 } }, { atom-id-1 { molecule-id 2, residue-id 332, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 333, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 333, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 334, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 334, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 335, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 335, atom-id 1 }, atom-id-2 { molecule-id 2, residue-id 336, atom-id 10 } }, { atom-id-1 { molecule-id 2, residue-id 47, atom-id 9 }, atom-id-2 { molecule-id 2, residue-id 200, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 115, atom-id 9 }, atom-id-2 { molecule-id 2, residue-id 145, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 218, atom-id 9 }, atom-id-2 { molecule-id 2, residue-id 316, atom-id 9 } }, { atom-id-1 { molecule-id 2, residue-id 235, atom-id 9 }, atom-id-2 { molecule-id 2, residue-id 307, atom-id 9 } } } }, { id 3, descr { name "1", molecule-type other-nonpolymer }, residue-sequence { { id 1, name " 1 ", residue-graph local 1 } } }, { id 4, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 2 ", residue-graph local 2 } } }, { id 5, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 3 ", residue-graph local 2 } } }, { id 6, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 4 ", residue-graph local 2 } } }, { id 7, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 5 ", residue-graph local 2 } } }, { id 8, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 6 ", residue-graph local 2 } } }, { id 9, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 7 ", residue-graph local 2 } } }, { id 10, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 8 ", residue-graph local 2 } } }, { id 11, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 9 ", residue-graph local 2 } } }, { id 12, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 10 ", residue-graph local 2 } } }, { id 13, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 11 ", residue-graph local 2 } } }, { id 14, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 12 ", residue-graph local 2 } } }, { id 15, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 13 ", residue-graph local 2 } } }, { id 16, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 14 ", residue-graph local 2 } } }, { id 17, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 15 ", residue-graph local 2 } } }, { id 18, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 16 ", residue-graph local 2 } } }, { id 19, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 17 ", residue-graph local 2 } } }, { id 20, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 18 ", residue-graph local 2 } } }, { id 21, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 19 ", residue-graph local 2 } } }, { id 22, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 20 ", residue-graph local 2 } } }, { id 23, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 21 ", residue-graph local 2 } } }, { id 24, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 22 ", residue-graph local 2 } } }, { id 25, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 23 ", residue-graph local 2 } } }, { id 26, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 24 ", residue-graph local 2 } } }, { id 27, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 25 ", residue-graph local 2 } } }, { id 28, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 26 ", residue-graph local 2 } } }, { id 29, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 27 ", residue-graph local 2 } } }, { id 30, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 28 ", residue-graph local 2 } } }, { id 31, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 29 ", residue-graph local 2 } } }, { id 32, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 30 ", residue-graph local 2 } } }, { id 33, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 31 ", residue-graph local 2 } } }, { id 34, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 32 ", residue-graph local 2 } } }, { id 35, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 33 ", residue-graph local 2 } } }, { id 36, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 34 ", residue-graph local 2 } } }, { id 37, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 35 ", residue-graph local 2 } } }, { id 38, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 36 ", residue-graph local 2 } } }, { id 39, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 37 ", residue-graph local 2 } } }, { id 40, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 38 ", residue-graph local 2 } } }, { id 41, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 39 ", residue-graph local 2 } } }, { id 42, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 40 ", residue-graph local 2 } } }, { id 43, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 41 ", residue-graph local 2 } } }, { id 44, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 42 ", residue-graph local 2 } } }, { id 45, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 43 ", residue-graph local 2 } } }, { id 46, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 44 ", residue-graph local 2 } } }, { id 47, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 45 ", residue-graph local 2 } } }, { id 48, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 46 ", residue-graph local 2 } } }, { id 49, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 47 ", residue-graph local 2 } } }, { id 50, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 48 ", residue-graph local 2 } } }, { id 51, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 49 ", residue-graph local 2 } } }, { id 52, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 50 ", residue-graph local 2 } } }, { id 53, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 51 ", residue-graph local 2 } } }, { id 54, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 52 ", residue-graph local 2 } } }, { id 55, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 53 ", residue-graph local 2 } } }, { id 56, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 54 ", residue-graph local 2 } } }, { id 57, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 55 ", residue-graph local 2 } } }, { id 58, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 56 ", residue-graph local 2 } } }, { id 59, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 57 ", residue-graph local 2 } } }, { id 60, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 58 ", residue-graph local 2 } } }, { id 61, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 59 ", residue-graph local 2 } } }, { id 62, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 60 ", residue-graph local 2 } } }, { id 63, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 61 ", residue-graph local 2 } } }, { id 64, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 62 ", residue-graph local 2 } } }, { id 65, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 63 ", residue-graph local 2 } } }, { id 66, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 64 ", residue-graph local 2 } } }, { id 67, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 65 ", residue-graph local 2 } } }, { id 68, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 66 ", residue-graph local 2 } } }, { id 69, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 67 ", residue-graph local 2 } } }, { id 70, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 68 ", residue-graph local 2 } } }, { id 71, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 69 ", residue-graph local 2 } } }, { id 72, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 70 ", residue-graph local 2 } } }, { id 73, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 71 ", residue-graph local 2 } } }, { id 74, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 72 ", residue-graph local 2 } } }, { id 75, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 73 ", residue-graph local 2 } } }, { id 76, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 74 ", residue-graph local 2 } } }, { id 77, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 75 ", residue-graph local 2 } } }, { id 78, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 76 ", residue-graph local 2 } } }, { id 79, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 77 ", residue-graph local 2 } } }, { id 80, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 78 ", residue-graph local 2 } } }, { id 81, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 79 ", residue-graph local 2 } } }, { id 82, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 80 ", residue-graph local 2 } } }, { id 83, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 81 ", residue-graph local 2 } } }, { id 84, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 82 ", residue-graph local 2 } } }, { id 85, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 83 ", residue-graph local 2 } } }, { id 86, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 84 ", residue-graph local 2 } } }, { id 87, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 85 ", residue-graph local 2 } } }, { id 88, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 86 ", residue-graph local 2 } } }, { id 89, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 87 ", residue-graph local 2 } } }, { id 90, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 88 ", residue-graph local 2 } } }, { id 91, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 89 ", residue-graph local 2 } } }, { id 92, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 90 ", residue-graph local 2 } } }, { id 93, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 91 ", residue-graph local 2 } } }, { id 94, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 92 ", residue-graph local 2 } } }, { id 95, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 93 ", residue-graph local 2 } } }, { id 96, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 94 ", residue-graph local 2 } } }, { id 97, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 95 ", residue-graph local 2 } } }, { id 98, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 96 ", residue-graph local 2 } } }, { id 99, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 97 ", residue-graph local 2 } } }, { id 100, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 98 ", residue-graph local 2 } } }, { id 101, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 99 ", residue-graph local 2 } } }, { id 102, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 100 ", residue-graph local 2 } } }, { id 103, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 101 ", residue-graph local 2 } } }, { id 104, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 102 ", residue-graph local 2 } } }, { id 105, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 103 ", residue-graph local 2 } } }, { id 106, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 104 ", residue-graph local 2 } } }, { id 107, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 105 ", residue-graph local 2 } } }, { id 108, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 106 ", residue-graph local 2 } } }, { id 109, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 107 ", residue-graph local 2 } } }, { id 110, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 108 ", residue-graph local 2 } } }, { id 111, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 109 ", residue-graph local 2 } } }, { id 112, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 110 ", residue-graph local 2 } } }, { id 113, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 111 ", residue-graph local 2 } } }, { id 114, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 112 ", residue-graph local 2 } } }, { id 115, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 113 ", residue-graph local 2 } } }, { id 116, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 114 ", residue-graph local 2 } } }, { id 117, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 115 ", residue-graph local 2 } } }, { id 118, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 116 ", residue-graph local 2 } } }, { id 119, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 117 ", residue-graph local 2 } } }, { id 120, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 118 ", residue-graph local 2 } } }, { id 121, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 119 ", residue-graph local 2 } } }, { id 122, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 120 ", residue-graph local 2 } } }, { id 123, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 121 ", residue-graph local 2 } } }, { id 124, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 122 ", residue-graph local 2 } } }, { id 125, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 123 ", residue-graph local 2 } } }, { id 126, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 124 ", residue-graph local 2 } } }, { id 127, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 125 ", residue-graph local 2 } } }, { id 128, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 126 ", residue-graph local 2 } } }, { id 129, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 127 ", residue-graph local 2 } } }, { id 130, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 128 ", residue-graph local 2 } } }, { id 131, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 201 ", residue-graph local 2 } } }, { id 132, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 202 ", residue-graph local 2 } } }, { id 133, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 203 ", residue-graph local 2 } } }, { id 134, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 204 ", residue-graph local 2 } } }, { id 135, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 205 ", residue-graph local 2 } } }, { id 136, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 206 ", residue-graph local 2 } } }, { id 137, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 207 ", residue-graph local 2 } } }, { id 138, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 208 ", residue-graph local 2 } } }, { id 139, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 209 ", residue-graph local 2 } } }, { id 140, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 210 ", residue-graph local 2 } } }, { id 141, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 211 ", residue-graph local 2 } } }, { id 142, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 212 ", residue-graph local 2 } } }, { id 143, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 213 ", residue-graph local 2 } } }, { id 144, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 214 ", residue-graph local 2 } } }, { id 145, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 215 ", residue-graph local 2 } } }, { id 146, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 216 ", residue-graph local 2 } } }, { id 147, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 217 ", residue-graph local 2 } } }, { id 148, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 218 ", residue-graph local 2 } } }, { id 149, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 219 ", residue-graph local 2 } } }, { id 150, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 220 ", residue-graph local 2 } } }, { id 151, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 221 ", residue-graph local 2 } } }, { id 152, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 222 ", residue-graph local 2 } } }, { id 153, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 223 ", residue-graph local 2 } } }, { id 154, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 224 ", residue-graph local 2 } } }, { id 155, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 225 ", residue-graph local 2 } } }, { id 156, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 226 ", residue-graph local 2 } } }, { id 157, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 227 ", residue-graph local 2 } } }, { id 158, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 228 ", residue-graph local 2 } } }, { id 159, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 229 ", residue-graph local 2 } } }, { id 160, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 230 ", residue-graph local 2 } } }, { id 161, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 231 ", residue-graph local 2 } } }, { id 162, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 232 ", residue-graph local 2 } } }, { id 163, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 233 ", residue-graph local 2 } } }, { id 164, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 234 ", residue-graph local 2 } } }, { id 165, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 235 ", residue-graph local 2 } } }, { id 166, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 236 ", residue-graph local 2 } } }, { id 167, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 237 ", residue-graph local 2 } } }, { id 168, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 238 ", residue-graph local 2 } } }, { id 169, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 239 ", residue-graph local 2 } } }, { id 170, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 240 ", residue-graph local 2 } } }, { id 171, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 241 ", residue-graph local 2 } } }, { id 172, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 242 ", residue-graph local 2 } } }, { id 173, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 243 ", residue-graph local 2 } } }, { id 174, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 244 ", residue-graph local 2 } } }, { id 175, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 245 ", residue-graph local 2 } } }, { id 176, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 246 ", residue-graph local 2 } } }, { id 177, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 247 ", residue-graph local 2 } } }, { id 178, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 248 ", residue-graph local 2 } } }, { id 179, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 249 ", residue-graph local 2 } } }, { id 180, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 250 ", residue-graph local 2 } } }, { id 181, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 251 ", residue-graph local 2 } } }, { id 182, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 252 ", residue-graph local 2 } } }, { id 183, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 253 ", residue-graph local 2 } } }, { id 184, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 254 ", residue-graph local 2 } } }, { id 185, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 255 ", residue-graph local 2 } } }, { id 186, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 256 ", residue-graph local 2 } } }, { id 187, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 257 ", residue-graph local 2 } } }, { id 188, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 258 ", residue-graph local 2 } } }, { id 189, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 259 ", residue-graph local 2 } } }, { id 190, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 260 ", residue-graph local 2 } } }, { id 191, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 261 ", residue-graph local 2 } } }, { id 192, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 262 ", residue-graph local 2 } } }, { id 193, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 263 ", residue-graph local 2 } } }, { id 194, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 264 ", residue-graph local 2 } } }, { id 195, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 265 ", residue-graph local 2 } } }, { id 196, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 266 ", residue-graph local 2 } } }, { id 197, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 267 ", residue-graph local 2 } } }, { id 198, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 268 ", residue-graph local 2 } } }, { id 199, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 269 ", residue-graph local 2 } } }, { id 200, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 270 ", residue-graph local 2 } } }, { id 201, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 271 ", residue-graph local 2 } } }, { id 202, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 272 ", residue-graph local 2 } } }, { id 203, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 273 ", residue-graph local 2 } } }, { id 204, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 274 ", residue-graph local 2 } } }, { id 205, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 275 ", residue-graph local 2 } } }, { id 206, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 276 ", residue-graph local 2 } } }, { id 207, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 277 ", residue-graph local 2 } } }, { id 208, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 278 ", residue-graph local 2 } } }, { id 209, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 279 ", residue-graph local 2 } } }, { id 210, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 280 ", residue-graph local 2 } } }, { id 211, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 281 ", residue-graph local 2 } } }, { id 212, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 282 ", residue-graph local 2 } } }, { id 213, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 283 ", residue-graph local 2 } } }, { id 214, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 284 ", residue-graph local 2 } } }, { id 215, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 285 ", residue-graph local 2 } } }, { id 216, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 286 ", residue-graph local 2 } } }, { id 217, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 287 ", residue-graph local 2 } } }, { id 218, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 288 ", residue-graph local 2 } } }, { id 219, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 289 ", residue-graph local 2 } } }, { id 220, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 290 ", residue-graph local 2 } } }, { id 221, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 291 ", residue-graph local 2 } } }, { id 222, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 292 ", residue-graph local 2 } } }, { id 223, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 293 ", residue-graph local 2 } } }, { id 224, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 294 ", residue-graph local 2 } } }, { id 225, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 295 ", residue-graph local 2 } } }, { id 226, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 296 ", residue-graph local 2 } } }, { id 227, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 297 ", residue-graph local 2 } } }, { id 228, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 298 ", residue-graph local 2 } } }, { id 229, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 299 ", residue-graph local 2 } } }, { id 230, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 300 ", residue-graph local 2 } } }, { id 231, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 301 ", residue-graph local 2 } } }, { id 232, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 302 ", residue-graph local 2 } } }, { id 233, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 303 ", residue-graph local 2 } } }, { id 234, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 304 ", residue-graph local 2 } } }, { id 235, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 305 ", residue-graph local 2 } } }, { id 236, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 306 ", residue-graph local 2 } } }, { id 237, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 307 ", residue-graph local 2 } } }, { id 238, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 308 ", residue-graph local 2 } } }, { id 239, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 309 ", residue-graph local 2 } } }, { id 240, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 310 ", residue-graph local 2 } } }, { id 241, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 311 ", residue-graph local 2 } } }, { id 242, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 312 ", residue-graph local 2 } } }, { id 243, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 313 ", residue-graph local 2 } } }, { id 244, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 314 ", residue-graph local 2 } } }, { id 245, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 315 ", residue-graph local 2 } } }, { id 246, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 316 ", residue-graph local 2 } } }, { id 247, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 317 ", residue-graph local 2 } } }, { id 248, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 318 ", residue-graph local 2 } } }, { id 249, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 319 ", residue-graph local 2 } } }, { id 250, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 320 ", residue-graph local 2 } } }, { id 251, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 321 ", residue-graph local 2 } } }, { id 252, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 322 ", residue-graph local 2 } } }, { id 253, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 323 ", residue-graph local 2 } } }, { id 254, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 324 ", residue-graph local 2 } } }, { id 255, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 325 ", residue-graph local 2 } } }, { id 256, descr { name "1", molecule-type solvent }, residue-sequence { { id 1, name " 326 ", residue-graph local 2 } } } }, residue-graphs { { id 1, descr { name " CL", pdb-comment "" }, residue-type other, iupac-code { "X" }, atoms { { id 1, name "CL ", iupac-code { "CL " }, element cl } }, bonds { } }, { id 2, descr { name "HOH", pdb-comment "" }, residue-type other, iupac-code { "X" }, atoms { { id 1, name " O ", iupac-code { " O " }, element o } }, bonds { } } } }, features { { id 1, descr { name "PDB secondary structure" }, features { { id 1, name " 1", type helix, location subgraph residues interval { { molecule-id 1, from 8, to 13 } } }, { id 2, name " 2", type helix, location subgraph residues interval { { molecule-id 1, from 16, to 21 } } }, { id 3, name " 3", type helix, location subgraph residues interval { { molecule-id 1, from 93, to 100 } } }, { id 4, name " 4", type helix, location subgraph residues interval { { molecule-id 1, from 110, to 121 } } }, { id 5, name " 5", type helix, location subgraph residues interval { { molecule-id 1, from 180, to 183 } } }, { id 6, name " 6", type helix, location subgraph residues interval { { molecule-id 1, from 195, to 200 } } }, { id 7, name " 7", type helix, location subgraph residues interval { { molecule-id 1, from 231, to 243 } } }, { id 8, name " 8", type helix, location subgraph residues interval { { molecule-id 1, from 256, to 263 } } }, { id 9, name " 9", type helix, location subgraph residues interval { { molecule-id 2, from 8, to 13 } } }, { id 10, name " 10", type helix, location subgraph residues interval { { molecule-id 2, from 16, to 21 } } }, { id 11, name " 11", type helix, location subgraph residues interval { { molecule-id 2, from 93, to 100 } } }, { id 12, name " 12", type helix, location subgraph residues interval { { molecule-id 2, from 110, to 120 } } }, { id 13, name " 13", type helix, location subgraph residues interval { { molecule-id 2, from 180, to 183 } } }, { id 14, name " 14", type helix, location subgraph residues interval { { molecule-id 2, from 195, to 200 } } }, { id 15, name " 15", type helix, location subgraph residues interval { { molecule-id 2, from 231, to 243 } } }, { id 16, name " 16", type helix, location subgraph residues interval { { molecule-id 2, from 256, to 264 } } }, { id 17, name " A 1", type strand, location subgraph residues interval { { molecule-id 1, from 31, to 35 } } }, { id 18, name " A 2", type strand, location subgraph residues interval { { molecule-id 1, from 38, to 42 } } }, { id 19, name " B 1", type strand, location subgraph residues interval { { molecule-id 1, from 49, to 50 } } }, { id 20, name " B 2", type strand, location subgraph residues interval { { molecule-id 1, from 185, to 188 } } }, { id 21, name " B 3", type strand, location subgraph residues interval { { molecule-id 1, from 136, to 139 } } }, { id 22, name " B 4", type strand, location subgraph residues interval { { molecule-id 1, from 144, to 147 } } }, { id 23, name " B 5", type strand, location subgraph residues interval { { molecule-id 1, from 91, to 92 } } }, { id 24, name " C 1", type strand, location subgraph residues interval { { molecule-id 1, from 52, to 56 } } }, { id 25, name " C 2", type strand, location subgraph residues interval { { molecule-id 1, from 174, to 178 } } }, { id 26, name " D 1", type strand, location subgraph residues interval { { molecule-id 1, from 217, to 220 } } }, { id 27, name " D 2", type strand, location subgraph residues interval { { molecule-id 1, from 205, to 214 } } }, { id 28, name " D 3", type strand, location subgraph residues interval { { molecule-id 1, from 316, to 327 } } }, { id 29, name " D 4", type strand, location subgraph residues interval { { molecule-id 1, from 297, to 301 } } }, { id 30, name " D 5", type strand, location subgraph residues interval { { molecule-id 1, from 306, to 310 } } }, { id 31, name " D 6", type strand, location subgraph residues interval { { molecule-id 1, from 225, to 228 } } }, { id 32, name " E 1", type strand, location subgraph residues interval { { molecule-id 2, from 31, to 35 } } }, { id 33, name " E 2", type strand, location subgraph residues interval { { molecule-id 2, from 38, to 42 } } }, { id 34, name " F 1", type strand, location subgraph residues interval { { molecule-id 2, from 49, to 50 } } }, { id 35, name " F 2", type strand, location subgraph residues interval { { molecule-id 2, from 185, to 188 } } }, { id 36, name " F 3", type strand, location subgraph residues interval { { molecule-id 2, from 136, to 139 } } }, { id 37, name " F 4", type strand, location subgraph residues interval { { molecule-id 2, from 144, to 147 } } }, { id 38, name " F 5", type strand, location subgraph residues interval { { molecule-id 2, from 91, to 92 } } }, { id 39, name " G 1", type strand, location subgraph residues interval { { molecule-id 2, from 52, to 56 } } }, { id 40, name " G 2", type strand, location subgraph residues interval { { molecule-id 2, from 174, to 178 } } }, { id 41, name " H 1", type strand, location subgraph residues interval { { molecule-id 2, from 217, to 220 } } }, { id 42, name " H 2", type strand, location subgraph residues interval { { molecule-id 2, from 204, to 214 } } }, { id 43, name " H 3", type strand, location subgraph residues interval { { molecule-id 2, from 316, to 327 } } }, { id 44, name " H 4", type strand, location subgraph residues interval { { molecule-id 2, from 297, to 301 } } }, { id 45, name " H 5", type strand, location subgraph residues interval { { molecule-id 2, from 306, to 310 } } }, { id 46, name " H 6", type strand, location subgraph residues interval { { molecule-id 2, from 225, to 228 } } }, { id 47, name " I 3", type strand, location subgraph residues interval { { molecule-id 2, from 335, to 336 } } }, { id 48, name " J 1", type strand, location subgraph residues interval { { molecule-id 2, from 267, to 268 } } }, { id 49, name " J 2", type strand, location subgraph residues interval { { molecule-id 2, from 271, to 272 } } } } }, { id 2, descr { name "NCBI assigned secondary structure" }, features { { id 1, name "helix 1", type helix, location subgraph residues interval { { molecule-id 1, from 111, to 120 } } }, { id 2, name "helix 2", type helix, location subgraph residues interval { { molecule-id 1, from 232, to 242 } } }, { id 3, name "helix 3", type helix, location subgraph residues interval { { molecule-id 1, from 256, to 264 } } }, { id 4, name "helix 4", type helix, location subgraph residues interval { { molecule-id 2, from 111, to 120 } } }, { id 5, name "helix 5", type helix, location subgraph residues interval { { molecule-id 2, from 232, to 242 } } }, { id 6, name "helix 6", type helix, location subgraph residues interval { { molecule-id 2, from 256, to 264 } } }, { id 7, name "strand 1", type strand, location subgraph residues interval { { molecule-id 1, from 30, to 36 } } }, { id 8, name "strand 2", type strand, location subgraph residues interval { { molecule-id 1, from 37, to 43 } } }, { id 9, name "strand 3", type strand, location subgraph residues interval { { molecule-id 1, from 48, to 51 } } }, { id 10, name "strand 4", type strand, location subgraph residues interval { { molecule-id 1, from 52, to 57 } } }, { id 11, name "strand 5", type strand, location subgraph residues interval { { molecule-id 1, from 90, to 93 } } }, { id 12, name "strand 6", type strand, location subgraph residues interval { { molecule-id 1, from 135, to 141 } } }, { id 13, name "strand 7", type strand, location subgraph residues interval { { molecule-id 1, from 142, to 148 } } }, { id 14, name "strand 8", type strand, location subgraph residues interval { { molecule-id 1, from 153, to 156 } } }, { id 15, name "strand 9", type strand, location subgraph residues interval { { molecule-id 1, from 173, to 178 } } }, { id 16, name "strand 10", type strand, location subgraph residues interval { { molecule-id 1, from 184, to 189 } } }, { id 17, name "strand 11", type strand, location subgraph residues interval { { molecule-id 1, from 204, to 207 } } }, { id 18, name "strand 12", type strand, location subgraph residues interval { { molecule-id 1, from 208, to 212 } } }, { id 19, name "strand 13", type strand, location subgraph residues interval { { molecule-id 1, from 216, to 220 } } }, { id 20, name "strand 14", type strand, location subgraph residues interval { { molecule-id 1, from 224, to 229 } } }, { id 21, name "strand 15", type strand, location subgraph residues interval { { molecule-id 1, from 266, to 269 } } }, { id 22, name "strand 16", type strand, location subgraph residues interval { { molecule-id 1, from 270, to 273 } } }, { id 23, name "strand 17", type strand, location subgraph residues interval { { molecule-id 1, from 296, to 303 } } }, { id 24, name "strand 18", type strand, location subgraph residues interval { { molecule-id 1, from 304, to 311 } } }, { id 25, name "strand 19", type strand, location subgraph residues interval { { molecule-id 1, from 315, to 320 } } }, { id 26, name "strand 20", type strand, location subgraph residues interval { { molecule-id 1, from 322, to 328 } } }, { id 27, name "strand 21", type strand, location subgraph residues interval { { molecule-id 2, from 30, to 36 } } }, { id 28, name "strand 22", type strand, location subgraph residues interval { { molecule-id 2, from 37, to 43 } } }, { id 29, name "strand 23", type strand, location subgraph residues interval { { molecule-id 2, from 48, to 51 } } }, { id 30, name "strand 24", type strand, location subgraph residues interval { { molecule-id 2, from 52, to 57 } } }, { id 31, name "strand 25", type strand, location subgraph residues interval { { molecule-id 2, from 90, to 93 } } }, { id 32, name "strand 26", type strand, location subgraph residues interval { { molecule-id 2, from 135, to 140 } } }, { id 33, name "strand 27", type strand, location subgraph residues interval { { molecule-id 2, from 143, to 148 } } }, { id 34, name "strand 28", type strand, location subgraph residues interval { { molecule-id 2, from 153, to 156 } } }, { id 35, name "strand 29", type strand, location subgraph residues interval { { molecule-id 2, from 173, to 178 } } }, { id 36, name "strand 30", type strand, location subgraph residues interval { { molecule-id 2, from 184, to 189 } } }, { id 37, name "strand 31", type strand, location subgraph residues interval { { molecule-id 2, from 204, to 207 } } }, { id 38, name "strand 32", type strand, location subgraph residues interval { { molecule-id 2, from 208, to 212 } } }, { id 39, name "strand 33", type strand, location subgraph residues interval { { molecule-id 2, from 216, to 220 } } }, { id 40, name "strand 34", type strand, location subgraph residues interval { { molecule-id 2, from 224, to 229 } } }, { id 41, name "strand 35", type strand, location subgraph residues interval { { molecule-id 2, from 266, to 269 } } }, { id 42, name "strand 36", type strand, location subgraph residues interval { { molecule-id 2, from 270, to 273 } } }, { id 43, name "strand 37", type strand, location subgraph residues interval { { molecule-id 2, from 296, to 303 } } }, { id 44, name "strand 38", type strand, location subgraph residues interval { { molecule-id 2, from 304, to 311 } } }, { id 45, name "strand 39", type strand, location subgraph residues interval { { molecule-id 2, from 315, to 320 } } }, { id 46, name "strand 40", type strand, location subgraph residues interval { { molecule-id 2, from 322, to 328 } } } } }, { id 3, descr { name "NCBI Domains" }, features { { id 1, name "Domain", type subgraph, location subgraph residues interval { { molecule-id 1, from 1, to 45 }, { molecule-id 1, from 197, to 336 } } }, { id 2, name "Domain", type subgraph, location subgraph residues interval { { molecule-id 1, from 46, to 196 } } }, { id 3, name "Domain", type subgraph, location subgraph residues interval { { molecule-id 2, from 1, to 45 }, { molecule-id 2, from 197, to 336 } } }, { id 4, name "Domain", type subgraph, location subgraph residues interval { { molecule-id 2, from 46, to 196 } } } } } }, model { { id 3, type ncbi-all-atom, descr { name "Single-coordinate-per-atom model from PDB entry 1Z40 with a vector model attached", pdb-reso "Resolution: 1.9", pdb-method "X-Ray Diffraction", pdb-comment "SEP 13 5 Typographical~AUG 16 5 Initial Entry" }, model-space { coordinate-units angstroms, thermal-factor-units b }, model-coordinates { { id 1, coordinates literal atomic { number-of-points 5136, atoms { number-of-ptrs 5136, molecule-ids { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 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36590, 33279, 35560, 41080, 36209, 46990, 45540, 43380, 36880, 36099, 40150, 46169, 43790, 48119, 44060, 46520, 43580, 43470, 31600, 53119, 37459, 54110, 43630, 46409, 41909, 41669, 46840, 40349, 35630, 44759, 42180, 39299, 46599 } } } }, { id 2, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 30, to 36 } }, surface brick { corner-000 { scale-factor 1000000, x -6143234, y 11164723, z 46056084 }, corner-001 { scale-factor 1000000, x -7312688, y 12309894, z 44906754 }, corner-010 { scale-factor 1000000, x -6127311, y 11170105, z 46045245 }, corner-011 { scale-factor 1000000, x -7296765, y 12315276, z 44895915 }, corner-100 { scale-factor 1000000, x -9212234, y -4104276, z 33965084 }, corner-101 { scale-factor 1000000, x -10381688, y -2959105, z 32815754 }, corner-110 { scale-factor 1000000, x -9196311, y -4098894, z 33954245 }, corner-111 { scale-factor 1000000, x -10365765, y -2953723, z 32804915 } } } }, { id 3, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 37, to 43 } }, surface brick { corner-000 { scale-factor 1000000, x -13858575, y -3124614, z 37157430 }, corner-001 { scale-factor 1000000, x -13285342, y -4476581, z 38515219 }, corner-010 { scale-factor 1000000, x -13844657, y -3131418, z 37144780 }, corner-011 { scale-factor 1000000, x -13271424, y -4483385, z 38502569 }, corner-100 { scale-factor 1000000, x -1338575, y 9304385, z 44247430 }, corner-101 { scale-factor 1000000, x -765342, y 7952418, z 45605219 }, corner-110 { scale-factor 1000000, x -1324657, y 9297581, z 44234780 }, corner-111 { scale-factor 1000000, x -751424, y 7945614, z 45592569 } } } }, { id 4, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 48, to 51 } }, surface brick { corner-000 { scale-factor 1000000, x 6538386, y 16273932, z 42349615 }, corner-001 { scale-factor 1000000, x 5908305, y 17582933, z 43724212 }, corner-010 { scale-factor 1000000, x 6529694, y 16259066, z 42359787 }, corner-011 { scale-factor 1000000, x 5899613, y 17568067, z 43734384 }, corner-100 { scale-factor 1000000, x 14333386, y 14994932, z 47140615 }, corner-101 { scale-factor 1000000, x 13703305, y 16303933, z 48515212 }, corner-110 { scale-factor 1000000, x 14324694, y 14980066, z 47150787 }, corner-111 { scale-factor 1000000, x 13694613, y 16289067, z 48525384 } } } }, { id 5, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 52, to 57 } }, surface brick { corner-000 { scale-factor 1000000, x 10190656, y 11683318, z 48138106 }, corner-001 { scale-factor 1000000, x 11748997, y 11215740, z 46974946 }, corner-010 { scale-factor 1000000, x 10203002, y 11692259, z 48151053 }, corner-011 { scale-factor 1000000, x 11761343, y 11224681, z 46987893 }, corner-100 { scale-factor 1000000, x 11927656, y -2117681, z 56013106 }, corner-101 { scale-factor 1000000, x 13485997, y -2585259, z 54849946 }, corner-110 { scale-factor 1000000, x 11940002, y -2108740, z 56026053 }, corner-111 { scale-factor 1000000, x 13498343, y -2576318, z 54862893 } } } }, { id 6, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 90, to 93 } }, surface brick { corner-000 { scale-factor 1000000, x 14929300, y 3146069, z 33737079 }, corner-001 { scale-factor 1000000, x 14719544, y 2585232, z 31828817 }, corner-010 { scale-factor 1000000, x 14910455, y 3152767, z 33737182 }, corner-011 { scale-factor 1000000, x 14700699, y 2591930, z 31828920 }, corner-100 { scale-factor 1000000, x 18066300, y 12017069, z 30785079 }, corner-101 { scale-factor 1000000, x 17856544, y 11456232, z 28876817 }, corner-110 { scale-factor 1000000, x 18047455, y 12023767, z 30785182 }, corner-111 { scale-factor 1000000, x 17837699, y 11462930, z 28876920 } } } }, { id 7, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 111, to 120 } }, surface cylinder { axis-top { scale-factor 1000000, x 3898000, y 6894000, z 31392000 }, axis-bottom { scale-factor 1000000, x 11122000, y 17799000, z 33681000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 8, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 135, to 141 } }, surface brick { corner-000 { scale-factor 1000000, x 4261714, y 7162237, z 40521560 }, corner-001 { scale-factor 1000000, x 4695147, y 5991690, z 38958884 }, corner-010 { scale-factor 1000000, x 4254852, y 7176309, z 40509115 }, corner-011 { scale-factor 1000000, x 4688285, y 6005762, z 38946439 }, corner-100 { scale-factor 1000000, x 21586714, y 14800237, z 39605560 }, corner-101 { scale-factor 1000000, x 22020147, y 13629690, z 38042884 }, corner-110 { scale-factor 1000000, x 21579852, y 14814309, z 39593115 }, corner-111 { scale-factor 1000000, x 22013285, y 13643762, z 38030439 } } } }, { id 9, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 142, to 148 } }, surface brick { corner-000 { scale-factor 1000000, x 21977078, y 10160545, z 34827847 }, corner-001 { scale-factor 1000000, x 21168031, y 11924558, z 35311270 }, corner-010 { scale-factor 1000000, x 21971968, y 10163441, z 34808729 }, corner-011 { scale-factor 1000000, x 21162921, y 11927454, z 35292152 }, corner-100 { scale-factor 1000000, x 7144078, y 2585545, z 37644847 }, corner-101 { scale-factor 1000000, x 6335031, y 4349558, z 38128270 }, corner-110 { scale-factor 1000000, x 7138968, y 2588441, z 37625729 }, corner-111 { scale-factor 1000000, x 6329921, y 4352454, z 38109152 } } } }, { id 10, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 153, to 156 } }, surface brick { corner-000 { scale-factor 1000000, x 2583173, y 4937153, z 49960171 }, corner-001 { scale-factor 1000000, x 4582555, y 4943615, z 49910869 }, corner-010 { scale-factor 1000000, x 2583444, y 4952384, z 49973130 }, corner-011 { scale-factor 1000000, x 4582826, y 4958846, z 49923828 }, corner-100 { scale-factor 1000000, x 2788173, y -1429846, z 57439171 }, corner-101 { scale-factor 1000000, x 4787555, y -1423384, z 57389869 }, corner-110 { scale-factor 1000000, x 2788444, y -1414615, z 57452130 }, corner-111 { scale-factor 1000000, x 4787826, y -1408153, z 57402828 } } } }, { id 11, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 173, to 178 } }, surface brick { corner-000 { scale-factor 1000000, x 5627135, y -1942777, z 56779230 }, corner-001 { scale-factor 1000000, x 7092651, y -2822645, z 55740917 }, corner-010 { scale-factor 1000000, x 5615348, y -1943354, z 56763082 }, corner-011 { scale-factor 1000000, x 7080864, y -2823222, z 55724769 }, corner-100 { scale-factor 1000000, x 11279135, y 12969222, z 52120230 }, corner-101 { scale-factor 1000000, x 12744651, y 12089354, z 51081917 }, corner-110 { scale-factor 1000000, x 11267348, y 12968645, z 52104082 }, corner-111 { scale-factor 1000000, x 12732864, y 12088777, z 51065769 } } } }, { id 12, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 184, to 189 } }, surface brick { corner-000 { scale-factor 1000000, x 18473672, y 13916193, z 44393134 }, corner-001 { scale-factor 1000000, x 18804619, y 12816435, z 42755756 }, corner-010 { scale-factor 1000000, x 18473380, y 13899564, z 44404243 }, corner-011 { scale-factor 1000000, x 18804327, y 12799806, z 42766865 }, corner-100 { scale-factor 1000000, x 2224672, y 12598193, z 41994134 }, corner-101 { scale-factor 1000000, x 2555619, y 11498435, z 40356756 }, corner-110 { scale-factor 1000000, x 2224380, y 12581564, z 42005243 }, corner-111 { scale-factor 1000000, x 2555327, y 11481806, z 40367865 } } } }, { id 13, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 204, to 207 } }, surface brick { corner-000 { scale-factor 1000000, x 12656490, y 27363220, z 50899051 }, corner-001 { scale-factor 1000000, x 12947081, y 28381566, z 49202428 }, corner-010 { scale-factor 1000000, x 12638918, y 27372433, z 50901571 }, corner-011 { scale-factor 1000000, x 12929509, y 28390779, z 49204948 }, corner-100 { scale-factor 1000000, x 16963490, y 34246220, z 55768051 }, corner-101 { scale-factor 1000000, x 17254081, y 35264566, z 54071428 }, corner-110 { scale-factor 1000000, x 16945918, y 34255433, z 55770571 }, corner-111 { scale-factor 1000000, x 17236509, y 35273779, z 54073948 } } } }, { id 14, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 208, to 212 } }, surface brick { corner-000 { scale-factor 1000000, x 12428256, y 34599864, z 55623021 }, corner-001 { scale-factor 1000000, x 12521407, y 34102762, z 57558018 }, corner-010 { scale-factor 1000000, x 12428592, y 34619237, z 55627981 }, corner-011 { scale-factor 1000000, x 12521743, y 34122135, z 57562978 }, corner-100 { scale-factor 1000000, x -296743, y 34659864, z 56251021 }, corner-101 { scale-factor 1000000, x -203592, y 34162762, z 58186018 }, corner-110 { scale-factor 1000000, x -296407, y 34679237, z 56255981 }, corner-111 { scale-factor 1000000, x -203256, y 34182135, z 58190978 } } } }, { id 15, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 216, to 220 } }, surface brick { corner-000 { scale-factor 1000000, x -1573387, y 46138564, z 56277589 }, corner-001 { scale-factor 1000000, x -275526, y 47153594, z 57411286 }, corner-010 { scale-factor 1000000, x -1586473, y 46138405, z 56292713 }, corner-011 { scale-factor 1000000, x -288612, y 47153435, z 57426410 }, corner-100 { scale-factor 1000000, x 3425612, y 35045564, z 60486589 }, corner-101 { scale-factor 1000000, x 4723473, y 36060594, z 61620286 }, corner-110 { scale-factor 1000000, x 3412526, y 35045405, z 60501713 }, corner-111 { scale-factor 1000000, x 4710387, y 36060435, z 61635410 } } } }, { id 16, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 224, to 229 } }, surface brick { corner-000 { scale-factor 1000000, x 2809038, y 26560394, z 66161191 }, corner-001 { scale-factor 1000000, x 2245409, y 25183364, z 67497645 }, corner-010 { scale-factor 1000000, x 2802590, y 26548635, z 66146354 }, corner-011 { scale-factor 1000000, x 2238961, y 25171605, z 67482808 }, corner-100 { scale-factor 1000000, x 15924038, y 20399394, z 65344191 }, corner-101 { scale-factor 1000000, x 15360409, y 19022364, z 66680645 }, corner-110 { scale-factor 1000000, x 15917590, y 20387635, z 65329354 }, corner-111 { scale-factor 1000000, x 15353961, y 19010605, z 66665808 } } } }, { id 17, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 232, to 242 } }, surface cylinder { axis-top { scale-factor 1000000, x 4043000, y 15029000, z 57328000 }, axis-bottom { scale-factor 1000000, x 17986000, y 20820000, z 58189000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 18, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 256, to 264 } }, surface cylinder { axis-top { scale-factor 1000000, x -3182000, y 2842000, z 48170000 }, axis-bottom { scale-factor 1000000, x -7680000, y -7785000, z 52198000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 19, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 266, to 269 } }, surface brick { corner-000 { scale-factor 1000000, x -2777268, y -3179380, z 42352143 }, corner-001 { scale-factor 1000000, x -4333029, y -4360063, z 41921335 }, corner-010 { scale-factor 1000000, x -2772970, y -3177936, z 42332664 }, corner-011 { scale-factor 1000000, x -4328731, y -4358619, z 41901856 }, corner-100 { scale-factor 1000000, x 3257731, y -11395380, z 43075143 }, corner-101 { scale-factor 1000000, x 1701970, y -12576063, z 42644335 }, corner-110 { scale-factor 1000000, x 3262029, y -11393936, z 43055664 }, corner-111 { scale-factor 1000000, x 1706268, y -12574619, z 42624856 } } } }, { id 20, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 270, to 273 } }, surface brick { corner-000 { scale-factor 1000000, x 31477, y -12955622, z 38276801 }, corner-001 { scale-factor 1000000, x -1554110, y -14168539, z 38155391 }, corner-010 { scale-factor 1000000, x 36110, y -12963460, z 38294608 }, corner-011 { scale-factor 1000000, x -1549477, y -14176377, z 38173198 }, corner-100 { scale-factor 1000000, x -5348522, y -6353622, z 42582801 }, corner-101 { scale-factor 1000000, x -6934110, y -7566539, z 42461391 }, corner-110 { scale-factor 1000000, x -5343889, y -6361460, z 42600608 }, corner-111 { scale-factor 1000000, x -6929477, y -7574377, z 42479198 } } } }, { id 21, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 296, to 303 } }, surface brick { corner-000 { scale-factor 1000000, x 1565911, y 22403282, z 56037756 }, corner-001 { scale-factor 1000000, x 2465064, y 22430253, z 54251476 }, corner-010 { scale-factor 1000000, x 1558935, y 22421746, z 56034523 }, corner-011 { scale-factor 1000000, x 2458088, y 22448717, z 54248243 }, corner-100 { scale-factor 1000000, x 19654911, y 30854282, z 65270756 }, corner-101 { scale-factor 1000000, x 20554064, y 30881253, z 63484476 }, corner-110 { scale-factor 1000000, x 19647935, y 30872746, z 65267523 }, corner-111 { scale-factor 1000000, x 20547088, y 30899717, z 63481243 } } } }, { id 22, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 304, to 311 } }, surface brick { corner-000 { scale-factor 1000000, x 18141982, y 26988642, z 67612166 }, corner-001 { scale-factor 1000000, x 18781892, y 27118927, z 65721785 }, corner-010 { scale-factor 1000000, x 18146107, y 26969072, z 67612214 }, corner-011 { scale-factor 1000000, x 18786017, y 27099357, z 65721833 }, corner-100 { scale-factor 1000000, x -1663017, y 22797642, z 60619166 }, corner-101 { scale-factor 1000000, x -1023107, y 22927927, z 58728785 }, corner-110 { scale-factor 1000000, x -1658892, y 22778072, z 60619214 }, corner-111 { scale-factor 1000000, x -1018982, y 22908357, z 58728833 } } } }, { id 23, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 315, to 320 } }, surface brick { corner-000 { scale-factor 1000000, x -234908, y 34974854, z 52742296 }, corner-001 { scale-factor 1000000, x -594781, y 36942092, z 52720749 }, corner-010 { scale-factor 1000000, x -241218, y 34973907, z 52761250 }, corner-011 { scale-factor 1000000, x -601091, y 36941145, z 52739703 }, corner-100 { scale-factor 1000000, x 14346091, y 37696854, z 57732296 }, corner-101 { scale-factor 1000000, x 13986218, y 39664092, z 57710749 }, corner-110 { scale-factor 1000000, x 14339781, y 37695907, z 57751250 }, corner-111 { scale-factor 1000000, x 13979908, y 39663145, z 57729703 } } } }, { id 24, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 1, from 322, to 328 } }, surface brick { corner-000 { scale-factor 1000000, x 16957678, y 35543085, z 59113898 }, corner-001 { scale-factor 1000000, x 17051211, y 34520143, z 60829952 }, corner-010 { scale-factor 1000000, x 16940788, y 35551856, z 59120047 }, corner-011 { scale-factor 1000000, x 17034321, y 34528914, z 60836101 }, corner-100 { scale-factor 1000000, x 6320678, y 20811085, z 50911898 }, corner-101 { scale-factor 1000000, x 6414211, y 19788143, z 52627952 }, corner-110 { scale-factor 1000000, x 6303788, y 20819856, z 50918047 }, corner-111 { scale-factor 1000000, x 6397321, y 19796914, z 52634101 } } } }, { id 25, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 30, to 36 } }, surface brick { corner-000 { scale-factor 1000000, x 10443998, y 4641042, z 75774983 }, corner-001 { scale-factor 1000000, x 10855320, y 2691668, z 75599604 }, corner-010 { scale-factor 1000000, x 10456679, y 4642331, z 75790395 }, corner-011 { scale-factor 1000000, x 10868001, y 2692957, z 75615016 }, corner-100 { scale-factor 1000000, x -4243001, y 423042, z 88212983 }, corner-101 { scale-factor 1000000, x -3831679, y -1526331, z 88037604 }, corner-110 { scale-factor 1000000, x -4230320, y 424331, z 88228395 }, corner-111 { scale-factor 1000000, x -3818998, y -1525042, z 88053016 } } } }, { id 26, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 37, to 43 } }, surface brick { corner-000 { scale-factor 1000000, x -5785595, y -880382, z 82870579 }, corner-001 { scale-factor 1000000, x -6686827, y 861799, z 82479957 }, corner-010 { scale-factor 1000000, x -5785172, y -875799, z 82890042 }, corner-011 { scale-factor 1000000, x -6686404, y 866382, z 82499420 }, corner-100 { scale-factor 1000000, x 11172404, y 7373617, z 80558579 }, corner-101 { scale-factor 1000000, x 10271172, y 9115799, z 80167957 }, corner-110 { scale-factor 1000000, x 11172827, y 7378200, z 80578042 }, corner-111 { scale-factor 1000000, x 10271595, y 9120382, z 80187420 } } } }, { id 27, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 48, to 51 } }, surface brick { corner-000 { scale-factor 1000000, x 21191578, y 8723393, z 84229250 }, corner-001 { scale-factor 1000000, x 21975773, y 8664198, z 82390355 }, corner-010 { scale-factor 1000000, x 21174226, y 8729801, z 84221644 }, corner-011 { scale-factor 1000000, x 21958421, y 8670606, z 82382749 }, corner-100 { scale-factor 1000000, x 24000578, y 17418393, z 85147250 }, corner-101 { scale-factor 1000000, x 24784773, y 17359198, z 83308355 }, corner-110 { scale-factor 1000000, x 23983226, y 17424801, z 85139644 }, corner-111 { scale-factor 1000000, x 24767421, y 17365606, z 83300749 } } } }, { id 28, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 52, to 57 } }, surface brick { corner-000 { scale-factor 1000000, x 18952007, y 16496220, z 83209521 }, corner-001 { scale-factor 1000000, x 19295849, y 16952806, z 85126106 }, corner-010 { scale-factor 1000000, x 18966150, y 16509193, z 83203893 }, corner-011 { scale-factor 1000000, x 19309992, y 16965779, z 85120478 }, corner-100 { scale-factor 1000000, x 8111007, y 27972220, z 82420521 }, corner-101 { scale-factor 1000000, x 8454849, y 28428806, z 84337106 }, corner-110 { scale-factor 1000000, x 8125150, y 27985193, z 82414893 }, corner-111 { scale-factor 1000000, x 8468992, y 28441779, z 84331478 } } } }, { id 29, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 90, to 93 } }, surface brick { corner-000 { scale-factor 1000000, x 13944258, y 13529916, z 99588062 }, corner-001 { scale-factor 1000000, x 13328843, y 12308571, z 101047371 }, corner-010 { scale-factor 1000000, x 13941156, y 13515428, z 99574628 }, corner-011 { scale-factor 1000000, x 13325741, y 12294083, z 101033937 }, corner-100 { scale-factor 1000000, x 23142258, y 10395916, z 100844062 }, corner-101 { scale-factor 1000000, x 22526843, y 9174571, z 102303371 }, corner-110 { scale-factor 1000000, x 23139156, y 10381428, z 100830628 }, corner-111 { scale-factor 1000000, x 22523741, y 9160083, z 102289937 } } } }, { id 30, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 111, to 120 } }, surface cylinder { axis-top { scale-factor 1000000, x 11742000, y 3339000, z 93984000 }, axis-bottom { scale-factor 1000000, x 25022000, y 5515000, z 92781000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 31, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 135, to 140 } }, surface brick { corner-000 { scale-factor 1000000, x 12302019, y 9208419, z 87115677 }, corner-001 { scale-factor 1000000, x 11400426, y 9131848, z 88899288 }, corner-010 { scale-factor 1000000, x 12309573, y 9190151, z 87118711 }, corner-011 { scale-factor 1000000, x 11407980, y 9113580, z 88902322 }, corner-100 { scale-factor 1000000, x 25433019, y 15787419, z 94035677 }, corner-101 { scale-factor 1000000, x 24531426, y 15710848, z 95819288 }, corner-110 { scale-factor 1000000, x 25440573, y 15769151, z 94038711 }, corner-111 { scale-factor 1000000, x 24538980, y 15692580, z 95822322 } } } }, { id 32, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 143, to 148 } }, surface brick { corner-000 { scale-factor 1000000, x 24077677, y 13446241, z 98598094 }, corner-001 { scale-factor 1000000, x 23099389, y 13613945, z 100334420 }, corner-010 { scale-factor 1000000, x 24076610, y 13466054, z 98595579 }, corner-011 { scale-factor 1000000, x 23098322, y 13633758, z 100331905 }, corner-100 { scale-factor 1000000, x 10067677, y 11711241, z 90872094 }, corner-101 { scale-factor 1000000, x 9089389, y 11878945, z 92608420 }, corner-110 { scale-factor 1000000, x 10066610, y 11731054, z 90869579 }, corner-111 { scale-factor 1000000, x 9088322, y 11898758, z 92605905 } } } }, { id 33, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 153, to 156 } }, surface brick { corner-000 { scale-factor 1000000, x 9078648, y 15045542, z 79612847 }, corner-001 { scale-factor 1000000, x 10177873, y 16295244, z 80721878 }, corner-010 { scale-factor 1000000, x 9092126, y 15046755, z 79598121 }, corner-011 { scale-factor 1000000, x 10191351, y 16296457, z 80707152 }, corner-100 { scale-factor 1000000, x 4342648, y 22512542, z 75892847 }, corner-101 { scale-factor 1000000, x 5441873, y 23762244, z 77001878 }, corner-110 { scale-factor 1000000, x 4356126, y 22513755, z 75878121 }, corner-111 { scale-factor 1000000, x 5455351, y 23763457, z 76987152 } } } }, { id 34, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 173, to 178 } }, surface brick { corner-000 { scale-factor 1000000, x 4954066, y 24234997, z 78213896 }, corner-001 { scale-factor 1000000, x 4894355, y 24914878, z 80093842 }, corner-010 { scale-factor 1000000, x 4947644, y 24217121, z 78220157 }, corner-011 { scale-factor 1000000, x 4887933, y 24897002, z 80100103 }, corner-100 { scale-factor 1000000, x 20662066, y 19381997, z 80467896 }, corner-101 { scale-factor 1000000, x 20602355, y 20061878, z 82347842 }, corner-110 { scale-factor 1000000, x 20655644, y 19364121, z 80474157 }, corner-111 { scale-factor 1000000, x 20595933, y 20044002, z 82354103 } } } }, { id 35, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 184, to 189 } }, surface brick { corner-000 { scale-factor 1000000, x 25004085, y 18856558, z 90049745 }, corner-001 { scale-factor 1000000, x 24260787, y 18390357, z 91847011 }, corner-010 { scale-factor 1000000, x 24989212, y 18869642, z 90046988 }, corner-011 { scale-factor 1000000, x 24245914, y 18403441, z 91844254 }, corner-100 { scale-factor 1000000, x 15861085, y 7018558, z 83197745 }, corner-101 { scale-factor 1000000, x 15117787, y 6552357, z 84995011 }, corner-110 { scale-factor 1000000, x 15846212, y 7031642, z 83194988 }, corner-111 { scale-factor 1000000, x 15102914, y 6565441, z 84992254 } } } }, { id 36, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 204, to 207 } }, surface brick { corner-000 { scale-factor 1000000, x 33867513, y 14167577, z 77616925 }, corner-001 { scale-factor 1000000, x 34873634, y 12862005, z 78749709 }, corner-010 { scale-factor 1000000, x 33866365, y 14153994, z 77602290 }, corner-011 { scale-factor 1000000, x 34872486, y 12848422, z 78735074 }, corner-100 { scale-factor 1000000, x 42022513, y 17341577, z 74031925 }, corner-101 { scale-factor 1000000, x 43028634, y 16036005, z 75164709 }, corner-110 { scale-factor 1000000, x 42021365, y 17327994, z 74017290 }, corner-111 { scale-factor 1000000, x 43027486, y 16022422, z 75150074 } } } }, { id 37, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 208, to 212 } }, surface brick { corner-000 { scale-factor 1000000, x 40086811, y 14029041, z 71537318 }, corner-001 { scale-factor 1000000, x 39776250, y 15499851, z 70218124 }, corner-010 { scale-factor 1000000, x 40103749, y 14024148, z 71527875 }, corner-011 { scale-factor 1000000, x 39793188, y 15494958, z 70208681 }, corner-100 { scale-factor 1000000, x 33629811, y 6006041, z 64112318 }, corner-101 { scale-factor 1000000, x 33319250, y 7476851, z 62793124 }, corner-110 { scale-factor 1000000, x 33646749, y 6001148, z 64102875 }, corner-111 { scale-factor 1000000, x 33336188, y 7471958, z 62783681 } } } }, { id 38, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 216, to 220 } }, surface brick { corner-000 { scale-factor 1000000, x 43072872, y 492102, z 60088676 }, corner-001 { scale-factor 1000000, x 44625148, y 1665443, z 59626390 }, corner-010 { scale-factor 1000000, x 43066851, y 492556, z 60069609 }, corner-011 { scale-factor 1000000, x 44619127, y 1665897, z 59607323 }, corner-100 { scale-factor 1000000, x 35906872, y 10962102, z 62600676 }, corner-101 { scale-factor 1000000, x 37459148, y 12135443, z 62138390 }, corner-110 { scale-factor 1000000, x 35900851, y 10962556, z 62581609 }, corner-111 { scale-factor 1000000, x 37453127, y 12135897, z 62119323 } } } }, { id 39, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 224, to 229 } }, surface brick { corner-000 { scale-factor 1000000, x 28573195, y 17548765, z 60352971 }, corner-001 { scale-factor 1000000, x 27249741, y 18647701, z 59332771 }, corner-010 { scale-factor 1000000, x 28558258, y 17540298, z 60363228 }, corner-011 { scale-factor 1000000, x 27234804, y 18639234, z 59343028 }, corner-100 { scale-factor 1000000, x 29556195, y 28305765, z 70664971 }, corner-101 { scale-factor 1000000, x 28232741, y 29404701, z 69644771 }, corner-110 { scale-factor 1000000, x 29541258, y 28297298, z 70675228 }, corner-111 { scale-factor 1000000, x 28217804, y 29396234, z 69655028 } } } }, { id 40, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 232, to 242 } }, surface cylinder { axis-top { scale-factor 1000000, x 18832000, y 17247000, z 71783000 }, axis-bottom { scale-factor 1000000, x 30928000, y 24935000, z 76963000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 41, descr { other-comment "helix" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 256, to 264 } }, surface cylinder { axis-top { scale-factor 1000000, x 4680000, y 11162000, z 78497000 }, axis-bottom { scale-factor 1000000, x -6823000, y 14635000, z 76511000 }, radius { scale-factor 1, scaled-integer-value 2 } } } }, { id 42, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 266, to 269 } }, surface brick { corner-000 { scale-factor 1000000, x -449992, y 10202385, z 84658747 }, corner-001 { scale-factor 1000000, x -1623504, y 8894985, z 85614557 }, corner-010 { scale-factor 1000000, x -436495, y 10201014, z 84673442 }, corner-011 { scale-factor 1000000, x -1610007, y 8893614, z 85629252 }, corner-100 { scale-factor 1000000, x -5137992, y 18096385, z 89700747 }, corner-101 { scale-factor 1000000, x -6311504, y 16788985, z 90656557 }, corner-110 { scale-factor 1000000, x -5124495, y 18095014, z 89715442 }, corner-111 { scale-factor 1000000, x -6298007, y 16787614, z 90671252 } } } }, { id 43, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 270, to 273 } }, surface brick { corner-000 { scale-factor 1000000, x -6986866, y 13179489, z 92912593 }, corner-001 { scale-factor 1000000, x -8886563, y 12698845, z 92512426 }, corner-010 { scale-factor 1000000, x -6989436, y 13197154, z 92903573 }, corner-011 { scale-factor 1000000, x -8889133, y 12716510, z 92503406 }, corner-100 { scale-factor 1000000, x -4279866, y 9356489, z 84653593 }, corner-101 { scale-factor 1000000, x -6179563, y 8875845, z 84253426 }, corner-110 { scale-factor 1000000, x -4282436, y 9374154, z 84644573 }, corner-111 { scale-factor 1000000, x -6182133, y 8893510, z 84244406 } } } }, { id 44, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 296, to 303 } }, surface brick { corner-000 { scale-factor 1000000, x 24066798, y 12050499, z 68968688 }, corner-001 { scale-factor 1000000, x 24444703, y 11541779, z 70865630 }, corner-010 { scale-factor 1000000, x 24079296, y 12036220, z 68962369 }, corner-011 { scale-factor 1000000, x 24457201, y 11527500, z 70859311 }, corner-100 { scale-factor 1000000, x 40630798, y 26316499, z 69494688 }, corner-101 { scale-factor 1000000, x 41008703, y 25807779, z 71391630 }, corner-110 { scale-factor 1000000, x 40643296, y 26302220, z 69488369 }, corner-111 { scale-factor 1000000, x 41021201, y 25793500, z 71385311 } } } }, { id 45, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 304, to 311 } }, surface brick { corner-000 { scale-factor 1000000, x 36446494, y 28589133, z 67935464 }, corner-001 { scale-factor 1000000, x 36878435, y 27752631, z 69700029 }, corner-010 { scale-factor 1000000, x 36431564, y 28599368, z 67943970 }, corner-011 { scale-factor 1000000, x 36863505, y 27762866, z 69708535 }, corner-100 { scale-factor 1000000, x 22898494, y 12434133, z 63593464 }, corner-101 { scale-factor 1000000, x 23330435, y 11597631, z 65358029 }, corner-110 { scale-factor 1000000, x 22883564, y 12444368, z 63601970 }, corner-111 { scale-factor 1000000, x 23315505, y 11607866, z 65366535 } } } }, { id 46, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 315, to 320 } }, surface brick { corner-000 { scale-factor 1000000, x 34063108, y 3776247, z 66665968 }, corner-001 { scale-factor 1000000, x 35590431, y 2733783, z 65904030 }, corner-010 { scale-factor 1000000, x 34059568, y 3784216, z 66647969 }, corner-011 { scale-factor 1000000, x 35586891, y 2741752, z 65886031 }, corner-100 { scale-factor 1000000, x 43686108, y 15473247, z 69951968 }, corner-101 { scale-factor 1000000, x 45213431, y 14430783, z 69190030 }, corner-110 { scale-factor 1000000, x 43682568, y 15481216, z 69933969 }, corner-111 { scale-factor 1000000, x 45209891, y 14438752, z 69172031 } } } }, { id 47, descr { other-comment "strand" }, coordinates literal surface { contents residues interval { { molecule-id 2, from 322, to 328 } }, surface brick { corner-000 { scale-factor 1000000, x 43184031, y 18954379, z 71125505 }, corner-001 { scale-factor 1000000, x 42369084, y 20573303, z 70279958 }, corner-010 { scale-factor 1000000, x 43182915, y 18944696, z 71108041 }, corner-011 { scale-factor 1000000, x 42367968, y 20563620, z 70262494 }, corner-100 { scale-factor 1000000, x 25078031, y 12355379, z 75941505 }, corner-101 { scale-factor 1000000, x 24263084, y 13974303, z 75095958 }, corner-110 { scale-factor 1000000, x 25076915, y 12345696, z 75924041 }, corner-111 { scale-factor 1000000, x 24261968, y 13964620, z 75078494 } } } } } } } }, sequences { set { class pdb-entry, descr { pdb { deposition std { year 2005, month 3, day 14 }, class "Unknown Function", compound { "Ama1 From Plasmodium Falciparum" }, source { "Mol_id: 1; Organism_scientific: Plasmodium Falciparum 3d7; Gene: Plasmodium Falciparum; Expression_system: Escherichia Coli; Expression_system_common: Bacteria; Expression_system_strain: Bl21(De3); Expression_system_vector_type: Plasmid; Expression_system_plasmid: Pproexhtb" } } }, seq-set { seq { id { pdb { mol "1Z40", chain 65, rel std { year 2005, month 3, day 14 } }, gi 75765674 }, descr { source { org { taxname "Plasmodium falciparum 3D7", db { { db "taxon", tag id 36329 } }, orgname { name binomial { genus "Plasmodium", species "falciparum" }, lineage "Eukaryota; Alveolata; Apicomplexa; Haemosporida; Plasmodium", gcode 1, mgcode 4, div "INV" } } } }, inst { repr raw, mol aa, length 336, seq-data iupacaa "GNYMGNPWTEYMAKYDIEEVHGSGIRVDLGEDAEVAGTQYRLPSGKCP VFGKGIIIENSNTTFLTPVATGNQYLKDGGFAFPPTEPLMSPMTLDEMRHFYKDNKYVKNLDELTLCSRHAGNMIPDN DKNSNYKYPAVYDDKDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEKVCPRKN LQNAKFGLWVDGNCEDIPHVNEFPAIDLFECNKLVFELSASDQPKQYEQHLTDYEKIKEGFKNKNASMIKSAFLPTGA FKADRYKSHGKGYNWGNYNTETQKCEIFNVKPTCLINNSSYIATTALSHPIEVE" } }, seq { id { pdb { mol "1Z40", chain 69, rel std { year 2005, month 3, day 14 } }, gi 75765675 }, descr { source { org { taxname "Plasmodium falciparum 3D7", db { { db "taxon", tag id 36329 } }, orgname { name binomial { genus "Plasmodium", species "falciparum" }, lineage "Eukaryota; Alveolata; Apicomplexa; Haemosporida; Plasmodium", gcode 1, mgcode 4, div "INV" } } } }, inst { repr raw, mol aa, length 336, seq-data iupacaa "GNYMGNPWTEYMAKYDIEEVHGSGIRVDLGEDAEVAGTQYRLPSGKCP VFGKGIIIENSNTTFLTPVATGNQYLKDGGFAFPPTEPLMSPMTLDEMRHFYKDNKYVKNLDELTLCSRHAGNMIPDN DKNSNYKYPAVYDDKDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEKVCPRKN LQNAKFGLWVDGNCEDIPHVNEFPAIDLFECNKLVFELSASDQPKQYEQHLTDYEKIKEGFKNKNASMIKSAFLPTGA FKADRYKSHGKGYNWGNYNTETQKCEIFNVKPTCLINNSSYIATTALSHPIEVE" } } } } }, style-dictionary { global-style { protein-backbone { type trace, style tubes, color-scheme domain, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, nucleotide-backbone { type trace, style tubes, color-scheme domain, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, protein-sidechains { is-on FALSE, style wire, color-scheme element, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, nucleotide-sidechains { is-on FALSE, style wire, color-scheme element, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, heterogens { is-on TRUE, style ball-and-stick, color-scheme element, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, solvents { is-on FALSE, style ball-and-stick, color-scheme element, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, connections { is-on TRUE, style tubes, color-scheme user-select, user-color { scale-factor 10000, red 9000, green 9000, blue 10000, alpha 10000 } }, helix-objects { is-on FALSE, style with-arrows, color-scheme domain, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, strand-objects { is-on FALSE, style with-arrows, color-scheme domain, user-color { scale-factor 10000, red 5000, green 5000, blue 5000, alpha 10000 } }, virtual-disulfides-on TRUE, virtual-disulfide-color { scale-factor 10000, red 9300, green 5500, blue 500, alpha 10000 }, hydrogens-on TRUE, background-color { scale-factor 10000, red 0, green 0, blue 0, alpha 10000 }, scale-factor 10000, space-fill-proportion 10000, ball-radius 4000, stick-radius 2000, tube-radius 3000, tube-worm-radius 3000, helix-radius 18000, strand-width 20000, strand-thickness 5000, protein-labels { spacing 0, type three-letter, number sequential, termini FALSE, white TRUE }, nucleotide-labels { spacing 0, type three-letter, number sequential, termini FALSE, white TRUE }, ion-labels TRUE } }, user-annotations { view { camera-distance { 163375960148685, 10, -12 }, camera-angle-rad { 610865238198015, 10, -15 }, camera-look-at-X { 0, 10, 0 }, camera-look-at-Y { 0, 10, 0 }, camera-clip-near { 754035885453816, 10, -13 }, camera-clip-far { 255004870637968, 10, -12 }, matrix { m0 { 326684385538101, 10, -15 }, m1 { -511257462203503, 10, -16 }, m2 { -94374805688858, 10, -14 }, m3 { 0, 10, 0 }, m4 { 539479970932007, 10, -15 }, m5 { 829972982406616, 10, -15 }, m6 { 141782402992249, 10, -15 }, m7 { 0, 10, 0 }, m8 { 776039838790894, 10, -15 }, m9 { -555451929569244, 10, -15 }, m10 { 298720300197601, 10, -15 }, m11 { 0, 10, 0 }, m12 { -599392852783203, 10, -13 }, m13 { 257278652191162, 10, -13 }, m14 { -981667518615723, 10, -14 }, m15 { 1, 10, 0 } }, rotation-center { x { 116321246105919, 10, -13 }, y { 123745151869159, 10, -13 }, z { 637383257398754, 10, -13 } } } } }