Browse entries in the PDBbind-CN Database
HEADER HORMONE/DNA 26-OCT-12 4HQX TITLE CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A MODIFIED TITLE 2 NUCLEOTIDE APTAMER (SOMAMER SL4) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PLATELET-DERIVED GROWTH FACTOR SUBUNIT B; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDGF-BB, UNP RESIDUES 82-109; COMPND 5 SYNONYM: PDGF SUBUNIT B, PDGF-2, PLATELET-DERIVED GROWTH FACTOR B COMPND 6 CHAIN, PLATELET-DERIVED GROWTH FACTOR BETA POLYPEPTIDE, PROTO- COMPND 7 ONCOGENE C-SIS; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: SOMAMER SL4; COMPND 11 CHAIN: C; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 MOL_ID: 2; SOURCE 8 SYNTHETIC: YES; SOURCE 9 OTHER_DETAILS: SYNTHESIZED OLIGONUCLEOTIDE KEYWDS GROWTH FACTOR, SELEX, APTAMER, 5-MODIFIED DEOXYURIDINE, HORMONE-DNA KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR D.R.DAVIES,T.E.EDWARDS,N.JANJIC,A.D.GELINAS,C.ZHANG,T.C.JARVIS REVDAT 2 19-DEC-12 4HQX 1 JRNL REVDAT 1 21-NOV-12 4HQX 0 JRNL AUTH D.R.DAVIES,A.D.GELINAS,C.ZHANG,J.C.ROHLOFF,J.D.CARTER, JRNL AUTH 2 D.O'CONNELL,S.M.WAUGH,S.K.WOLK,W.S.MAYFIELD,A.B.BURGIN, JRNL AUTH 3 T.E.EDWARDS,L.J.STEWART,L.GOLD,N.JANJIC,T.C.JARVIS JRNL TITL UNIQUE MOTIFS AND HYDROPHOBIC INTERACTIONS SHAPE THE BINDING JRNL TITL 2 OF MODIFIED DNA LIGANDS TO PROTEIN TARGETS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 109 19971 2012 JRNL REFN ISSN 0027-8424 JRNL PMID 23139410 JRNL DOI 10.1073/PNAS.1213933109 REMARK 2 REMARK 2 RESOLUTION. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.6.0117 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.68 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 13750 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.241 REMARK 3 R VALUE (WORKING SET) : 0.239 REMARK 3 FREE R VALUE : 0.279 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 679 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.30 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.36 REMARK 3 REFLECTION IN BIN (WORKING SET) : 824 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.19 REMARK 3 BIN R VALUE (WORKING SET) : 0.3660 REMARK 3 BIN FREE R VALUE SET COUNT : 45 REMARK 3 BIN FREE R VALUE : 0.5260 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 738 REMARK 3 NUCLEIC ACID ATOMS : 553 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 58 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 50.08 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.86 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.33000 REMARK 3 B22 (A**2) : 2.33000 REMARK 3 B33 (A**2) : -4.66000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.238 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.212 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.183 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.240 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.939 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.920 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1377 ; 0.007 ; 0.018 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1968 ; 2.005 ; 2.135 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 96 ; 6.101 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 32 ;42.582 ;22.813 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 135 ;14.965 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;25.856 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 198 ; 0.100 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 886 ; 0.006 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF REMARK 4 REMARK 4 4HQX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-NOV-12. REMARK 100 THE RCSB ID CODE IS RCSB075808. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-AUG-11 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 4.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979176 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13750 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 19.675 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.2 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.06400 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 19.2900 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.36 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.57200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: CHAIN A OF 3MJG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 66.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROPLEX E1: 0.1 M MAGNESIUM ACETATE, REMARK 280 0.1 M SODIUM ACETATE PH 4.5, 8% PEG 8000, VAPOR DIFFUSION, REMARK 280 TEMPERATURE 289K, VAPOR DIFFUSION, SITTING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 84.08000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.71500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.71500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 42.04000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.71500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.71500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 126.12000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.71500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.71500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 42.04000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.71500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.71500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 126.12000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 84.08000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 10210 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18040 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 84.08000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 1 REMARK 465 LEU A 2 REMARK 465 GLY A 3 REMARK 465 SER A 4 REMARK 465 LEU A 5 REMARK 465 THR A 6 REMARK 465 VAL A 102 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ILE A 7 CG1 CG2 CD1 REMARK 470 ARG A 32 CG CD NE CZ NH1 NH2 REMARK 470 ASN A 57 CG OD1 ND2 REMARK 470 GLN A 59 CG CD OE1 NE2 REMARK 470 LYS A 80 CG CD CE NZ REMARK 470 LYS A 81 CG CD CE NZ REMARK 470 PE6 C 5 C3 C4 O5 C6 C7 O8 C9 REMARK 470 PE6 C 5 C10 O11 C19 C18 O17 C16 C15 REMARK 470 PE6 C 5 O14 C13 C12 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 36 46.26 -79.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG C 102 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH C 205 O REMARK 620 2 HOH C 206 O 179.7 REMARK 620 3 HOH C 204 O 90.4 89.8 REMARK 620 4 HOH C 203 O 88.6 91.1 179.1 REMARK 620 5 HOH C 202 O 90.3 89.5 91.1 88.7 REMARK 620 6 HOH C 201 O 89.9 90.3 88.7 91.5 179.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA C 101 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH C 211 O REMARK 620 2 DC C 10 O2 89.4 REMARK 620 3 DG C 22 O6 133.9 96.3 REMARK 620 4 HOH C 210 O 148.2 80.9 77.6 REMARK 620 5 DC C 10 O4' 70.7 65.9 151.6 77.7 REMARK 620 N 1 2 3 4 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA C 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 102 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3MJG RELATED DB: PDB REMARK 900 PDGF-BB RECEPTOR COMPLEX REMARK 900 RELATED ID: 4HQU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A REMARK 900 MODIFIED NUCLEOTIDE APTAMER (SOMAMER SL5) DBREF 4HQX A 1 102 UNP P01127 PDGFB_HUMAN 82 183 DBREF 4HQX C 1 24 PDB 4HQX 4HQX 1 24 SEQRES 1 A 102 SER LEU GLY SER LEU THR ILE ALA GLU PRO ALA MET ILE SEQRES 2 A 102 ALA GLU CYS LYS THR ARG THR GLU VAL PHE GLU ILE SER SEQRES 3 A 102 ARG ARG LEU ILE ASP ARG THR ASN ALA ASN PHE LEU VAL SEQRES 4 A 102 TRP PRO PRO CYS VAL GLU VAL GLN ARG CYS SER GLY CYS SEQRES 5 A 102 CYS ASN ASN ARG ASN VAL GLN CYS ARG PRO THR GLN VAL SEQRES 6 A 102 GLN LEU ARG PRO VAL GLN VAL ARG LYS ILE GLU ILE VAL SEQRES 7 A 102 ARG LYS LYS PRO ILE PHE LYS LYS ALA THR VAL THR LEU SEQRES 8 A 102 GLU ASP HIS LEU ALA CYS LYS CYS GLU THR VAL SEQRES 1 C 24 DUZ DUZ A2M DC PE6 DG DUZ UBI DA DC A2M DC DG SEQRES 2 C 24 DC DG DUZ UPE 18Q DA DUZ A2M DG DC 18M MODRES 4HQX DUZ C 1 DU MODRES 4HQX DUZ C 2 DU MODRES 4HQX A2M C 3 A MODRES 4HQX DUZ C 7 DU MODRES 4HQX UBI C 8 DU MODRES 4HQX A2M C 11 A MODRES 4HQX DUZ C 16 DU MODRES 4HQX UPE C 17 DU MODRES 4HQX 18Q C 18 DU MODRES 4HQX DUZ C 20 DU MODRES 4HQX A2M C 21 A MODRES 4HQX 18M C 24 G HET DUZ C 1 26 HET DUZ C 2 29 HET A2M C 3 23 HET PE6 C 5 5 HET DUZ C 7 29 HET UBI C 8 26 HET A2M C 11 23 HET DUZ C 16 29 HET UPE C 17 30 HET 18Q C 18 28 HET DUZ C 20 29 HET A2M C 21 23 HET 18M C 24 28 HET NA C 101 1 HET MG C 102 1 HETNAM DUZ 5-(BENZYLCARBAMOYL)-2'-DEOXYURIDINE 5'-(DIHYDROGEN HETNAM 2 DUZ PHOSPHATE) HETNAM A2M 2'-O-METHYLADENOSINE 5'-(DIHYDROGEN PHOSPHATE) HETNAM PE6 PHOSPHORYL-HEXAETHYLENE GLYCOL HETNAM UBI 2'-DEOXY-5-[(2-METHYLPROPYL)CARBAMOYL]URIDINE 5'- HETNAM 2 UBI (DIHYDROGEN PHOSPHATE) HETNAM UPE 2'-DEOXY-5-[(2-PHENYLETHYL)CARBAMOYL]URIDINE 5'- HETNAM 2 UPE (DIHYDROGEN PHOSPHATE) HETNAM 18Q 2'-DEOXY-5-[(THIOPHEN-2-YLMETHYL)CARBAMOYL]URIDINE 5'- HETNAM 2 18Q (DIHYDROGEN PHOSPHATE) HETNAM 18M 2'-O-METHYLGUANOSINE 3',5'-BIS(DIHYDROGEN PHOSPHATE) HETNAM NA SODIUM ION HETNAM MG MAGNESIUM ION FORMUL 2 DUZ 5(C17 H20 N3 O9 P) FORMUL 2 A2M 3(C11 H16 N5 O7 P) FORMUL 2 PE6 C12 H27 O10 P FORMUL 2 UBI C14 H22 N3 O9 P FORMUL 2 UPE C18 H22 N3 O9 P FORMUL 2 18Q C15 H18 N3 O9 P S FORMUL 2 18M C11 H17 N5 O11 P2 FORMUL 3 NA NA 1+ FORMUL 4 MG MG 2+ FORMUL 5 HOH *58(H2 O) HELIX 1 1 SER A 26 ASP A 31 1 6 SHEET 1 A 2 LYS A 17 GLU A 24 0 SHEET 2 A 2 CYS A 43 SER A 50 -1 O VAL A 46 N GLU A 21 SHEET 1 B 3 PHE A 37 TRP A 40 0 SHEET 2 B 3 GLN A 59 VAL A 78 -1 O ARG A 73 N TRP A 40 SHEET 3 B 3 LYS A 81 GLU A 100 -1 O LEU A 91 N ARG A 68 SSBOND 1 CYS A 16 CYS A 60 1555 1555 2.04 SSBOND 2 CYS A 43 CYS A 52 1555 8555 2.17 SSBOND 3 CYS A 49 CYS A 97 1555 1555 2.05 SSBOND 4 CYS A 53 CYS A 99 1555 1555 2.04 LINK O3' DC C 4 P1 PE6 C 5 1555 1555 1.61 LINK O3' DG C 6 P DUZ C 7 1555 1555 1.59 LINK O3' DC C 10 P A2M C 11 1555 1555 1.59 LINK O3' DG C 15 P DUZ C 16 1555 1555 1.58 LINK O3' DA C 19 P DUZ C 20 1555 1555 1.61 LINK MG MG C 102 O HOH C 205 1555 1555 2.17 LINK MG MG C 102 O HOH C 206 1555 1555 2.17 LINK MG MG C 102 O HOH C 204 1555 1555 2.18 LINK MG MG C 102 O HOH C 203 1555 1555 2.18 LINK MG MG C 102 O HOH C 202 1555 1555 2.18 LINK MG MG C 102 O HOH C 201 1555 1555 2.18 LINK NA NA C 101 O HOH C 211 1555 1555 2.29 LINK O2 DC C 10 NA NA C 101 1555 1555 2.38 LINK O6 DG C 22 NA NA C 101 1555 1555 2.39 LINK NA NA C 101 O HOH C 210 1555 1555 2.58 LINK O4' DC C 10 NA NA C 101 1555 1555 3.08 LINK O20 PE6 C 5 P DG C 6 1555 1555 1.49 CISPEP 1 TRP A 40 PRO A 41 0 -1.18 SITE 1 AC1 5 DC C 10 DG C 15 DG C 22 HOH C 210 SITE 2 AC1 5 HOH C 211 SITE 1 AC2 6 HOH C 201 HOH C 202 HOH C 203 HOH C 204 SITE 2 AC2 6 HOH C 205 HOH C 206 CRYST1 59.430 59.430 168.160 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016827 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016827 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005947 0.00000 ATOM 1 N ILE A 7 13.467 10.451 61.020 1.00 78.31 N ATOM 2 CA ILE A 7 12.479 9.468 61.554 1.00 77.79 C ATOM 3 C ILE A 7 12.650 8.092 60.911 1.00 78.93 C ATOM 4 O ILE A 7 12.810 7.978 59.688 1.00 78.52 O ATOM 5 CB ILE A 7 11.027 9.941 61.343 1.00 72.57 C ATOM 6 N ALA A 8 12.631 7.054 61.748 1.00 73.21 N ATOM 7 CA ALA A 8 12.621 5.672 61.277 1.00 62.86 C ATOM 8 C ALA A 8 11.262 5.046 61.569 1.00 58.95 C ATOM 9 O ALA A 8 10.930 4.766 62.718 1.00 61.09 O ATOM 10 CB ALA A 8 13.741 4.874 61.918 1.00 57.54 C ATOM 11 N GLU A 9 10.477 4.854 60.513 1.00 55.76 N ATOM 12 CA GLU A 9 9.130 4.297 60.610 1.00 52.79 C ATOM 13 C GLU A 9 9.155 2.837 61.051 1.00 46.82 C ATOM 14 O GLU A 9 10.124 2.125 60.783 1.00 46.28 O ATOM 15 CB GLU A 9 8.416 4.395 59.254 1.00 55.77 C ATOM 16 CG GLU A 9 8.408 5.784 58.628 1.00 62.40 C ATOM 17 CD GLU A 9 7.763 6.831 59.521 1.00 67.26 C ATOM 18 OE1 GLU A 9 8.440 7.832 59.856 1.00 71.63 O ATOM 19 OE2 GLU A 9 6.584 6.650 59.895 1.00 67.60 O ATOM 20 N PRO A 10 8.087 2.381 61.724 1.00 41.63 N ATOM 21 CA PRO A 10 7.998 0.948 61.987 1.00 40.82 C ATOM 22 C PRO A 10 8.020 0.194 60.662 1.00 40.99 C ATOM 23 O PRO A 10 7.332 0.591 59.718 1.00 42.27 O ATOM 24 CB PRO A 10 6.621 0.782 62.649 1.00 38.05 C ATOM 25 CG PRO A 10 6.244 2.134 63.133 1.00 39.15 C ATOM 26 CD PRO A 10 6.927 3.125 62.240 1.00 40.63 C ATOM 27 N ALA A 11 8.822 -0.862 60.587 1.00 39.72 N ATOM 28 CA ALA A 11 8.806 -1.758 59.444 1.00 38.52 C ATOM 29 C ALA A 11 7.439 -2.425 59.390 1.00 40.00 C ATOM 30 O ALA A 11 6.889 -2.770 60.431 1.00 40.29 O ATOM 31 CB ALA A 11 9.899 -2.790 59.577 1.00 35.55 C ATOM 32 N MET A 12 6.873 -2.550 58.189 1.00 41.36 N ATOM 33 CA MET A 12 5.597 -3.243 57.985 1.00 40.83 C ATOM 34 C MET A 12 5.836 -4.538 57.230 1.00 39.33 C ATOM 35 O MET A 12 6.698 -4.609 56.348 1.00 37.87 O ATOM 36 CB MET A 12 4.612 -2.378 57.190 1.00 48.04 C ATOM 37 CG MET A 12 4.343 -0.993 57.760 1.00 49.36 C ATOM 38 SD MET A 12 3.536 -1.085 59.366 1.00 57.30 S ATOM 39 CE MET A 12 2.047 -2.014 58.977 1.00 50.11 C ATOM 40 N ILE A 13 5.073 -5.569 57.571 1.00 37.15 N ATOM 41 CA ILE A 13 5.280 -6.865 56.948 1.00 34.22 C ATOM 42 C ILE A 13 4.868 -6.860 55.456 1.00 34.85 C ATOM 43 O ILE A 13 3.812 -6.337 55.090 1.00 35.41 O ATOM 44 CB ILE A 13 4.599 -8.013 57.740 1.00 32.55 C ATOM 45 CG1 ILE A 13 5.085 -9.365 57.193 1.00 31.80 C ATOM 46 CG2 ILE A 13 3.075 -7.871 57.742 1.00 29.42 C ATOM 47 CD1 ILE A 13 4.768 -10.563 58.047 1.00 32.45 C ATOM 48 N ALA A 14 5.717 -7.424 54.602 1.00 33.67 N ATOM 49 CA ALA A 14 5.328 -7.722 53.231 1.00 33.16 C ATOM 50 C ALA A 14 4.433 -8.943 53.330 1.00 35.58 C ATOM 51 O ALA A 14 4.911 -10.078 53.441 1.00 35.03 O ATOM 52 CB ALA A 14 6.545 -8.011 52.368 1.00 31.99 C ATOM 53 N GLU A 15 3.126 -8.707 53.341 1.00 37.69 N ATOM 54 CA GLU A 15 2.181 -9.801 53.499 1.00 39.89 C ATOM 55 C GLU A 15 2.091 -10.651 52.237 1.00 38.77 C ATOM 56 O GLU A 15 2.536 -10.239 51.150 1.00 35.70 O ATOM 57 CB GLU A 15 0.803 -9.288 53.912 1.00 45.18 C ATOM 58 CG GLU A 15 0.319 -8.105 53.107 1.00 53.38 C ATOM 59 CD GLU A 15 -1.041 -7.635 53.564 1.00 63.39 C ATOM 60 OE1 GLU A 15 -1.361 -7.801 54.769 1.00 69.77 O ATOM 61 OE2 GLU A 15 -1.784 -7.096 52.715 1.00 65.21 O ATOM 62 N CYS A 16 1.537 -11.846 52.418 1.00 36.44 N ATOM 63 CA CYS A 16 1.346 -12.807 51.361 1.00 34.91 C ATOM 64 C CYS A 16 0.194 -12.335 50.511 1.00 35.08 C ATOM 65 O CYS A 16 -0.938 -12.260 50.987 1.00 34.87 O ATOM 66 CB CYS A 16 1.035 -14.164 51.959 1.00 35.07 C ATOM 67 SG CYS A 16 0.539 -15.390 50.746 1.00 39.97 S ATOM 68 N LYS A 17 0.498 -11.973 49.266 1.00 34.17 N ATOM 69 CA LYS A 17 -0.502 -11.474 48.325 1.00 32.95 C ATOM 70 C LYS A 17 0.058 -11.399 46.899 1.00 33.60 C ATOM 71 O LYS A 17 1.239 -11.707 46.666 1.00 32.61 O ATOM 72 CB LYS A 17 -1.003 -10.106 48.760 1.00 31.34 C ATOM 73 CG LYS A 17 0.059 -9.036 48.780 1.00 31.61 C ATOM 74 CD LYS A 17 -0.578 -7.675 48.891 1.00 30.57 C ATOM 75 CE LYS A 17 0.466 -6.595 48.760 1.00 32.94 C ATOM 76 NZ LYS A 17 -0.122 -5.266 49.080 1.00 36.31 N ATOM 77 N THR A 18 -0.788 -10.987 45.953 1.00 32.85 N ATOM 78 CA THR A 18 -0.346 -10.818 44.573 1.00 31.68 C ATOM 79 C THR A 18 0.383 -9.496 44.366 1.00 31.28 C ATOM 80 O THR A 18 -0.023 -8.448 44.867 1.00 30.51 O ATOM 81 CB THR A 18 -1.489 -10.948 43.543 1.00 31.08 C ATOM 82 OG1 THR A 18 -2.438 -9.906 43.747 1.00 30.84 O ATOM 83 CG2 THR A 18 -2.171 -12.267 43.650 1.00 28.69 C ATOM 84 N ARG A 19 1.491 -9.579 43.642 1.00 31.28 N ATOM 85 CA ARG A 19 2.249 -8.420 43.202 1.00 32.08 C ATOM 86 C ARG A 19 2.652 -8.649 41.733 1.00 33.00 C ATOM 87 O ARG A 19 2.671 -9.794 41.244 1.00 31.56 O ATOM 88 CB ARG A 19 3.500 -8.226 44.069 1.00 34.02 C ATOM 89 CG ARG A 19 3.240 -7.750 45.491 1.00 34.85 C ATOM 90 CD ARG A 19 4.490 -7.790 46.367 1.00 34.96 C ATOM 91 NE ARG A 19 4.160 -7.454 47.756 1.00 35.33 N ATOM 92 CZ ARG A 19 3.816 -8.345 48.686 1.00 35.99 C ATOM 93 NH1 ARG A 19 3.786 -9.652 48.400 1.00 34.79 N ATOM 94 NH2 ARG A 19 3.518 -7.935 49.913 1.00 34.16 N ATOM 95 N THR A 20 2.973 -7.559 41.047 1.00 32.17 N ATOM 96 CA THR A 20 3.390 -7.598 39.654 1.00 32.94 C ATOM 97 C THR A 20 4.834 -8.100 39.530 1.00 33.73 C ATOM 98 O THR A 20 5.743 -7.515 40.111 1.00 35.57 O ATOM 99 CB THR A 20 3.264 -6.193 39.031 1.00 33.99 C ATOM 100 OG1 THR A 20 1.915 -5.724 39.189 1.00 34.44 O ATOM 101 CG2 THR A 20 3.612 -6.219 37.546 1.00 34.93 C ATOM 102 N GLU A 21 5.043 -9.178 38.778 1.00 33.35 N ATOM 103 CA GLU A 21 6.394 -9.679 38.515 1.00 34.62 C ATOM 104 C GLU A 21 6.756 -9.727 37.016 1.00 34.13 C ATOM 105 O GLU A 21 5.879 -9.717 36.159 1.00 35.16 O ATOM 106 CB GLU A 21 6.600 -11.039 39.183 1.00 35.32 C ATOM 107 CG GLU A 21 7.099 -10.922 40.618 1.00 37.34 C ATOM 108 CD GLU A 21 7.064 -12.238 41.372 1.00 38.11 C ATOM 109 OE1 GLU A 21 7.148 -13.299 40.727 1.00 38.68 O ATOM 110 OE2 GLU A 21 6.947 -12.218 42.617 1.00 38.63 O ATOM 111 N VAL A 22 8.048 -9.755 36.701 1.00 32.98 N ATOM 112 CA VAL A 22 8.456 -9.823 35.301 1.00 32.15 C ATOM 113 C VAL A 22 8.568 -11.286 34.876 1.00 33.28 C ATOM 114 O VAL A 22 9.242 -12.077 35.521 1.00 33.69 O ATOM 115 CB VAL A 22 9.756 -9.047 35.016 1.00 30.65 C ATOM 116 CG1 VAL A 22 10.172 -9.205 33.554 1.00 29.96 C ATOM 117 CG2 VAL A 22 9.569 -7.571 35.339 1.00 29.96 C ATOM 118 N PHE A 23 7.852 -11.636 33.814 1.00 34.39 N ATOM 119 CA PHE A 23 7.880 -12.968 33.240 1.00 34.66 C ATOM 120 C PHE A 23 8.630 -12.915 31.905 1.00 35.65 C ATOM 121 O PHE A 23 8.308 -12.118 31.025 1.00 35.33 O ATOM 122 CB PHE A 23 6.443 -13.483 33.054 1.00 33.77 C ATOM 123 CG PHE A 23 6.349 -14.883 32.481 1.00 33.73 C ATOM 124 CD1 PHE A 23 5.958 -15.084 31.150 1.00 33.40 C ATOM 125 CD2 PHE A 23 6.630 -16.004 33.268 1.00 32.91 C ATOM 126 CE1 PHE A 23 5.864 -16.374 30.623 1.00 33.17 C ATOM 127 CE2 PHE A 23 6.537 -17.294 32.739 1.00 31.42 C ATOM 128 CZ PHE A 23 6.156 -17.476 31.415 1.00 30.99 C ATOM 129 N GLU A 24 9.647 -13.753 31.768 1.00 37.72 N ATOM 130 CA GLU A 24 10.359 -13.855 30.517 1.00 41.31 C ATOM 131 C GLU A 24 9.608 -14.849 29.626 1.00 41.75 C ATOM 132 O GLU A 24 9.242 -15.940 30.066 1.00 41.81 O ATOM 133 CB GLU A 24 11.793 -14.300 30.760 1.00 43.89 C ATOM 134 CG GLU A 24 12.730 -14.001 29.603 1.00 49.29 C ATOM 135 CD GLU A 24 14.183 -14.327 29.923 1.00 52.94 C ATOM 136 OE1 GLU A 24 14.490 -14.618 31.103 1.00 55.86 O ATOM 137 OE2 GLU A 24 15.019 -14.289 28.994 1.00 50.94 O ATOM 138 N ILE A 25 9.338 -14.443 28.388 1.00 40.46 N ATOM 139 CA ILE A 25 8.657 -15.307 27.439 1.00 39.89 C ATOM 140 C ILE A 25 9.659 -16.326 26.930 1.00 40.35 C ATOM 141 O ILE A 25 10.738 -15.970 26.481 1.00 38.68 O ATOM 142 CB ILE A 25 8.001 -14.499 26.303 1.00 40.46 C ATOM 143 CG1 ILE A 25 6.627 -14.011 26.766 1.00 38.32 C ATOM 144 CG2 ILE A 25 7.850 -15.342 25.038 1.00 39.48 C ATOM 145 CD1 ILE A 25 6.279 -12.635 26.265 1.00 39.57 C ATOM 146 N SER A 26 9.296 -17.594 27.061 1.00 42.94 N ATOM 147 CA SER A 26 10.164 -18.708 26.738 1.00 45.79 C ATOM 148 C SER A 26 10.043 -19.040 25.261 1.00 47.23 C ATOM 149 O SER A 26 8.952 -19.353 24.771 1.00 47.46 O ATOM 150 CB SER A 26 9.758 -19.916 27.579 1.00 48.66 C ATOM 151 OG SER A 26 10.228 -21.126 27.016 1.00 51.53 O ATOM 152 N ARG A 27 11.158 -18.971 24.548 1.00 47.78 N ATOM 153 CA ARG A 27 11.151 -19.327 23.130 1.00 50.10 C ATOM 154 C ARG A 27 10.911 -20.827 22.964 1.00 49.60 C ATOM 155 O ARG A 27 10.208 -21.255 22.045 1.00 48.55 O ATOM 156 CB ARG A 27 12.429 -18.842 22.435 1.00 52.01 C ATOM 157 CG ARG A 27 12.376 -17.348 22.103 1.00 53.14 C ATOM 158 CD ARG A 27 13.700 -16.749 21.636 1.00 54.20 C ATOM 159 NE ARG A 27 14.115 -17.262 20.332 1.00 52.46 N ATOM 160 CZ ARG A 27 14.994 -18.242 20.164 1.00 52.51 C ATOM 161 NH1 ARG A 27 15.561 -18.813 21.218 1.00 51.61 N ATOM 162 NH2 ARG A 27 15.301 -18.654 18.943 1.00 51.22 N ATOM 163 N ARG A 28 11.458 -21.601 23.901 1.00 50.11 N ATOM 164 CA ARG A 28 11.247 -23.037 23.987 1.00 50.31 C ATOM 165 C ARG A 28 9.770 -23.394 23.878 1.00 50.86 C ATOM 166 O ARG A 28 9.421 -24.326 23.163 1.00 53.68 O ATOM 167 CB ARG A 28 11.823 -23.585 25.298 1.00 52.85 C ATOM 168 CG ARG A 28 12.148 -25.075 25.276 1.00 56.08 C ATOM 169 CD ARG A 28 12.468 -25.622 26.665 1.00 58.88 C ATOM 170 NE ARG A 28 11.288 -25.624 27.534 1.00 61.73 N ATOM 171 CZ ARG A 28 10.588 -26.706 27.880 1.00 61.68 C ATOM 172 NH1 ARG A 28 10.939 -27.912 27.453 1.00 62.15 N ATOM 173 NH2 ARG A 28 9.528 -26.581 28.668 1.00 62.29 N ATOM 174 N LEU A 29 8.896 -22.665 24.566 1.00 50.52 N ATOM 175 CA LEU A 29 7.473 -23.006 24.503 1.00 54.68 C ATOM 176 C LEU A 29 6.805 -22.565 23.205 1.00 55.82 C ATOM 177 O LEU A 29 5.833 -23.181 22.769 1.00 60.05 O ATOM 178 CB LEU A 29 6.686 -22.528 25.735 1.00 56.42 C ATOM 179 CG LEU A 29 6.676 -21.065 26.196 1.00 59.26 C ATOM 180 CD1 LEU A 29 5.955 -20.109 25.243 1.00 56.62 C ATOM 181 CD2 LEU A 29 6.061 -21.020 27.590 1.00 59.08 C ATOM 182 N ILE A 30 7.324 -21.505 22.590 1.00 54.68 N ATOM 183 CA ILE A 30 6.846 -21.087 21.272 1.00 52.35 C ATOM 184 C ILE A 30 7.148 -22.154 20.214 1.00 50.03 C ATOM 185 O ILE A 30 6.255 -22.561 19.471 1.00 49.34 O ATOM 186 CB ILE A 30 7.380 -19.698 20.874 1.00 51.70 C ATOM 187 CG1 ILE A 30 6.620 -18.638 21.679 1.00 49.92 C ATOM 188 CG2 ILE A 30 7.189 -19.464 19.381 1.00 50.05 C ATOM 189 CD1 ILE A 30 7.302 -17.301 21.798 1.00 45.64 C ATOM 190 N ASP A 31 8.389 -22.624 20.177 1.00 46.38 N ATOM 191 CA ASP A 31 8.759 -23.724 19.300 1.00 47.69 C ATOM 192 C ASP A 31 9.940 -24.473 19.880 1.00 45.60 C ATOM 193 O ASP A 31 11.029 -23.905 20.032 1.00 46.14 O ATOM 194 CB ASP A 31 9.095 -23.202 17.894 1.00 50.80 C ATOM 195 CG ASP A 31 9.276 -24.318 16.863 1.00 53.75 C ATOM 196 OD1 ASP A 31 9.148 -24.009 15.657 1.00 54.90 O ATOM 197 OD2 ASP A 31 9.551 -25.487 17.238 1.00 53.78 O ATOM 198 N ARG A 32 9.720 -25.745 20.211 1.00 45.65 N ATOM 199 CA ARG A 32 10.795 -26.594 20.742 1.00 47.98 C ATOM 200 C ARG A 32 11.635 -27.266 19.640 1.00 48.11 C ATOM 201 O ARG A 32 12.756 -27.694 19.901 1.00 51.37 O ATOM 202 CB ARG A 32 10.247 -27.638 21.729 1.00 46.83 C ATOM 203 N THR A 33 11.117 -27.323 18.410 1.00 46.46 N ATOM 204 CA THR A 33 11.758 -28.110 17.339 1.00 45.47 C ATOM 205 C THR A 33 12.494 -27.315 16.241 1.00 43.14 C ATOM 206 O THR A 33 13.069 -27.911 15.334 1.00 40.72 O ATOM 207 CB THR A 33 10.765 -29.111 16.695 1.00 46.50 C ATOM 208 OG1 THR A 33 9.667 -28.400 16.109 1.00 47.23 O ATOM 209 CG2 THR A 33 10.232 -30.098 17.734 1.00 44.88 C ATOM 210 N ASN A 34 12.471 -25.984 16.324 1.00 42.23 N ATOM 211 CA ASN A 34 13.232 -25.119 15.410 1.00 39.82 C ATOM 212 C ASN A 34 13.814 -23.931 16.167 1.00 40.51 C ATOM 213 O ASN A 34 13.177 -23.411 17.090 1.00 41.11 O ATOM 214 CB ASN A 34 12.350 -24.588 14.274 1.00 38.65 C ATOM 215 CG ASN A 34 11.673 -25.689 13.478 1.00 38.16 C ATOM 216 OD1 ASN A 34 12.300 -26.355 12.655 1.00 37.41 O ATOM 217 ND2 ASN A 34 10.375 -25.864 13.700 1.00 36.92 N ATOM 218 N ALA A 35 15.004 -23.489 15.762 1.00 38.44 N ATOM 219 CA ALA A 35 15.738 -22.445 16.487 1.00 40.22 C ATOM 220 C ALA A 35 15.804 -21.126 15.731 1.00 39.02 C ATOM 221 O ALA A 35 16.161 -20.090 16.297 1.00 38.24 O ATOM 222 CB ALA A 35 17.152 -22.926 16.804 1.00 40.98 C ATOM 223 N ASN A 36 15.458 -21.171 14.452 1.00 38.66 N ATOM 224 CA ASN A 36 15.663 -20.052 13.535 1.00 38.75 C ATOM 225 C ASN A 36 14.605 -18.929 13.648 1.00 39.29 C ATOM 226 O ASN A 36 14.089 -18.447 12.635 1.00 39.91 O ATOM 227 CB ASN A 36 15.750 -20.593 12.094 1.00 37.89 C ATOM 228 CG ASN A 36 14.422 -21.147 11.589 1.00 38.58 C ATOM 229 OD1 ASN A 36 13.713 -21.866 12.301 1.00 35.61 O ATOM 230 ND2 ASN A 36 14.073 -20.800 10.348 1.00 40.18 N ATOM 231 N PHE A 37 14.283 -18.506 14.870 1.00 38.42 N ATOM 232 CA PHE A 37 13.260 -17.477 15.041 1.00 37.77 C ATOM 233 C PHE A 37 13.539 -16.473 16.154 1.00 37.50 C ATOM 234 O PHE A 37 14.314 -16.727 17.081 1.00 36.44 O ATOM 235 CB PHE A 37 11.868 -18.103 15.228 1.00 37.88 C ATOM 236 CG PHE A 37 11.685 -18.793 16.550 1.00 39.03 C ATOM 237 CD1 PHE A 37 11.862 -20.170 16.661 1.00 39.93 C ATOM 238 CD2 PHE A 37 11.337 -18.070 17.689 1.00 39.12 C ATOM 239 CE1 PHE A 37 11.700 -20.816 17.884 1.00 40.48 C ATOM 240 CE2 PHE A 37 11.174 -18.710 18.913 1.00 41.33 C ATOM 241 CZ PHE A 37 11.354 -20.084 19.012 1.00 40.96 C ATOM 242 N LEU A 38 12.880 -15.329 16.034 1.00 36.40 N ATOM 243 CA LEU A 38 12.921 -14.280 17.029 1.00 35.52 C ATOM 244 C LEU A 38 11.501 -13.986 17.452 1.00 36.40 C ATOM 245 O LEU A 38 10.562 -14.215 16.684 1.00 36.23 O ATOM 246 CB LEU A 38 13.541 -13.022 16.449 1.00 35.55 C ATOM 247 CG LEU A 38 14.982 -13.129 15.960 1.00 36.90 C ATOM 248 CD1 LEU A 38 15.322 -11.917 15.105 1.00 36.46 C ATOM 249 CD2 LEU A 38 15.943 -13.258 17.135 1.00 36.64 C ATOM 250 N VAL A 39 11.357 -13.495 18.687 1.00 35.28 N ATOM 251 CA AVAL A 39 10.062 -13.156 19.270 0.50 33.28 C ATOM 252 CA BVAL A 39 10.054 -13.118 19.227 0.50 32.56 C ATOM 253 C VAL A 39 10.138 -11.762 19.894 1.00 32.21 C ATOM 254 O VAL A 39 11.206 -11.345 20.356 1.00 32.03 O ATOM 255 CB AVAL A 39 9.663 -14.186 20.350 0.50 33.95 C ATOM 256 CB BVAL A 39 9.516 -14.135 20.252 0.50 32.35 C ATOM 257 CG1AVAL A 39 8.366 -13.794 21.037 0.50 34.31 C ATOM 258 CG1BVAL A 39 9.049 -15.402 19.553 0.50 32.81 C ATOM 259 CG2AVAL A 39 9.528 -15.575 19.744 0.50 34.89 C ATOM 260 CG2BVAL A 39 10.556 -14.432 21.328 0.50 31.18 C ATOM 261 N TRP A 40 9.008 -11.068 19.917 1.00 30.17 N ATOM 262 CA TRP A 40 8.896 -9.787 20.580 1.00 30.10 C ATOM 263 C TRP A 40 7.493 -9.620 21.115 1.00 30.84 C ATOM 264 O TRP A 40 6.523 -9.949 20.423 1.00 29.84 O ATOM 265 CB TRP A 40 9.228 -8.650 19.629 1.00 29.48 C ATOM 266 CG TRP A 40 9.327 -7.343 20.361 1.00 29.42 C ATOM 267 CD1 TRP A 40 8.322 -6.389 20.556 1.00 28.78 C ATOM 268 CD2 TRP A 40 10.498 -6.824 21.070 1.00 27.95 C ATOM 269 NE1 TRP A 40 8.796 -5.339 21.293 1.00 28.73 N ATOM 270 CE2 TRP A 40 10.094 -5.542 21.640 1.00 27.90 C ATOM 271 CE3 TRP A 40 11.799 -7.272 21.261 1.00 29.49 C ATOM 272 CZ2 TRP A 40 10.965 -4.762 22.380 1.00 28.51 C ATOM 273 CZ3 TRP A 40 12.676 -6.477 22.009 1.00 30.59 C ATOM 274 CH2 TRP A 40 12.263 -5.248 22.555 1.00 29.99 C ATOM 275 N PRO A 41 7.357 -9.109 22.358 1.00 30.80 N ATOM 276 CA PRO A 41 8.417 -8.699 23.307 1.00 29.85 C ATOM 277 C PRO A 41 9.054 -9.896 24.048 1.00 31.22 C ATOM 278 O PRO A 41 8.470 -10.987 24.048 1.00 31.02 O ATOM 279 CB PRO A 41 7.662 -7.807 24.290 1.00 28.86 C ATOM 280 CG PRO A 41 6.279 -8.373 24.306 1.00 29.77 C ATOM 281 CD PRO A 41 6.009 -8.946 22.936 1.00 28.95 C ATOM 282 N PRO A 42 10.241 -9.697 24.670 1.00 30.42 N ATOM 283 CA PRO A 42 10.882 -10.779 25.422 1.00 30.46 C ATOM 284 C PRO A 42 10.318 -11.010 26.842 1.00 32.45 C ATOM 285 O PRO A 42 10.497 -12.110 27.396 1.00 33.46 O ATOM 286 CB PRO A 42 12.350 -10.341 25.493 1.00 31.00 C ATOM 287 CG PRO A 42 12.313 -8.851 25.377 1.00 31.68 C ATOM 288 CD PRO A 42 11.020 -8.445 24.719 1.00 29.34 C ATOM 289 N CYS A 43 9.642 -10.007 27.418 1.00 30.44 N ATOM 290 CA CYS A 43 9.131 -10.094 28.790 1.00 30.26 C ATOM 291 C CYS A 43 7.819 -9.358 28.970 1.00 30.41 C ATOM 292 O CYS A 43 7.613 -8.299 28.379 1.00 29.07 O ATOM 293 CB CYS A 43 10.120 -9.479 29.768 1.00 30.52 C ATOM 294 SG CYS A 43 11.781 -10.146 29.649 1.00 35.46 S ATOM 295 N VAL A 44 6.957 -9.904 29.823 1.00 29.90 N ATOM 296 CA VAL A 44 5.670 -9.283 30.136 1.00 31.03 C ATOM 297 C VAL A 44 5.404 -9.308 31.643 1.00 31.92 C ATOM 298 O VAL A 44 5.982 -10.116 32.375 1.00 31.65 O ATOM 299 CB VAL A 44 4.501 -9.980 29.410 1.00 29.56 C ATOM 300 CG1 VAL A 44 4.664 -9.867 27.897 1.00 30.32 C ATOM 301 CG2 VAL A 44 4.416 -11.439 29.826 1.00 29.70 C ATOM 302 N GLU A 45 4.531 -8.412 32.088 1.00 31.57 N ATOM 303 CA GLU A 45 4.100 -8.369 33.469 1.00 32.40 C ATOM 304 C GLU A 45 3.100 -9.468 33.741 1.00 34.19 C ATOM 305 O GLU A 45 2.220 -9.742 32.925 1.00 36.57 O ATOM 306 CB GLU A 45 3.507 -6.996 33.808 1.00 31.37 C ATOM 307 CG GLU A 45 4.590 -5.944 33.995 1.00 32.41 C ATOM 308 CD GLU A 45 4.078 -4.584 34.440 1.00 34.30 C ATOM 309 OE1 GLU A 45 2.844 -4.369 34.461 1.00 34.51 O ATOM 310 OE2 GLU A 45 4.926 -3.715 34.767 1.00 34.60 O ATOM 311 N VAL A 46 3.266 -10.129 34.877 1.00 33.89 N ATOM 312 CA VAL A 46 2.269 -11.063 35.370 1.00 32.99 C ATOM 313 C VAL A 46 2.046 -10.769 36.854 1.00 36.12 C ATOM 314 O VAL A 46 2.846 -10.062 37.489 1.00 34.81 O ATOM 315 CB VAL A 46 2.699 -12.526 35.187 1.00 34.25 C ATOM 316 CG1 VAL A 46 2.780 -12.882 33.706 1.00 34.19 C ATOM 317 CG2 VAL A 46 4.025 -12.792 35.887 1.00 32.66 C ATOM 318 N GLN A 47 0.953 -11.297 37.395 1.00 36.63 N ATOM 319 CA GLN A 47 0.661 -11.193 38.819 1.00 36.42 C ATOM 320 C GLN A 47 1.086 -12.496 39.488 1.00 35.15 C ATOM 321 O GLN A 47 0.747 -13.584 39.011 1.00 33.41 O ATOM 322 CB GLN A 47 -0.830 -10.931 39.050 1.00 38.82 C ATOM 323 CG GLN A 47 -1.311 -9.616 38.478 1.00 41.01 C ATOM 324 CD GLN A 47 -0.702 -8.435 39.193 1.00 46.73 C ATOM 325 OE1 GLN A 47 -0.926 -8.245 40.389 1.00 52.21 O ATOM 326 NE2 GLN A 47 0.076 -7.630 38.469 1.00 47.81 N ATOM 327 N ARG A 48 1.846 -12.369 40.577 1.00 33.49 N ATOM 328 CA ARG A 48 2.351 -13.521 41.313 1.00 35.09 C ATOM 329 C ARG A 48 2.178 -13.361 42.831 1.00 35.14 C ATOM 330 O ARG A 48 2.293 -12.244 43.379 1.00 33.00 O ATOM 331 CB ARG A 48 3.827 -13.791 40.958 1.00 35.78 C ATOM 332 CG ARG A 48 4.070 -14.281 39.529 1.00 37.87 C ATOM 333 CD ARG A 48 3.605 -15.723 39.329 1.00 40.92 C ATOM 334 NE ARG A 48 3.127 -15.982 37.965 1.00 41.94 N ATOM 335 CZ ARG A 48 3.831 -16.627 37.042 1.00 44.66 C ATOM 336 NH1 ARG A 48 5.046 -17.083 37.319 1.00 50.46 N ATOM 337 NH2 ARG A 48 3.329 -16.826 35.837 1.00 42.83 N ATOM 338 N CYS A 49 1.887 -14.476 43.499 1.00 32.99 N ATOM 339 CA CYS A 49 1.856 -14.516 44.957 1.00 33.11 C ATOM 340 C CYS A 49 3.274 -14.312 45.492 1.00 33.17 C ATOM 341 O CYS A 49 4.195 -15.014 45.085 1.00 33.27 O ATOM 342 CB CYS A 49 1.299 -15.855 45.453 1.00 34.75 C ATOM 343 SG CYS A 49 -0.485 -16.060 45.222 1.00 43.29 S ATOM 344 N SER A 50 3.454 -13.335 46.374 1.00 31.50 N ATOM 345 CA SER A 50 4.714 -13.183 47.088 1.00 32.18 C ATOM 346 C SER A 50 4.482 -12.703 48.531 1.00 32.60 C ATOM 347 O SER A 50 3.359 -12.371 48.922 1.00 32.84 O ATOM 348 CB SER A 50 5.641 -12.230 46.336 1.00 29.93 C ATOM 349 OG SER A 50 5.015 -10.974 46.157 1.00 31.09 O ATOM 350 N GLY A 51 5.543 -12.675 49.320 1.00 31.72 N ATOM 351 CA GLY A 51 5.440 -12.165 50.673 1.00 32.87 C ATOM 352 C GLY A 51 5.731 -13.251 51.678 1.00 34.12 C ATOM 353 O GLY A 51 6.050 -14.383 51.315 1.00 33.26 O ATOM 354 N CYS A 52 5.609 -12.904 52.955 1.00 37.37 N ATOM 355 CA CYS A 52 6.031 -13.796 54.027 1.00 39.15 C ATOM 356 C CYS A 52 4.940 -14.048 55.029 1.00 39.84 C ATOM 357 O CYS A 52 4.291 -13.120 55.496 1.00 42.70 O ATOM 358 CB CYS A 52 7.257 -13.227 54.718 1.00 40.12 C ATOM 359 SG CYS A 52 8.581 -12.978 53.522 1.00 38.71 S ATOM 360 N CYS A 53 4.753 -15.324 55.333 1.00 42.19 N ATOM 361 CA CYS A 53 3.806 -15.791 56.332 1.00 45.93 C ATOM 362 C CYS A 53 4.429 -15.787 57.749 1.00 48.28 C ATOM 363 O CYS A 53 5.629 -15.550 57.897 1.00 47.11 O ATOM 364 CB CYS A 53 3.349 -17.196 55.942 1.00 45.57 C ATOM 365 SG CYS A 53 2.713 -17.325 54.243 1.00 43.96 S ATOM 366 N ASN A 54 3.605 -16.050 58.768 1.00 51.46 N ATOM 367 CA ASN A 54 4.008 -16.069 60.188 1.00 54.00 C ATOM 368 C ASN A 54 5.234 -16.893 60.524 1.00 55.08 C ATOM 369 O ASN A 54 6.038 -16.492 61.355 1.00 54.92 O ATOM 370 CB ASN A 54 2.882 -16.633 61.045 1.00 57.41 C ATOM 371 CG ASN A 54 1.746 -15.664 61.232 1.00 64.16 C ATOM 372 OD1 ASN A 54 0.634 -16.073 61.561 1.00 65.64 O ATOM 373 ND2 ASN A 54 2.011 -14.370 61.029 1.00 66.44 N ATOM 374 N ASN A 55 5.341 -18.065 59.906 1.00 55.33 N ATOM 375 CA ASN A 55 6.388 -19.027 60.234 1.00 57.23 C ATOM 376 C ASN A 55 6.856 -19.807 59.010 1.00 56.90 C ATOM 377 O ASN A 55 6.350 -19.597 57.910 1.00 59.83 O ATOM 378 CB ASN A 55 5.909 -19.987 61.330 1.00 56.04 C ATOM 379 CG ASN A 55 4.698 -20.800 60.905 1.00 57.82 C ATOM 380 OD1 ASN A 55 4.833 -21.896 60.356 1.00 56.51 O ATOM 381 ND2 ASN A 55 3.507 -20.259 61.144 1.00 55.68 N ATOM 382 N ARG A 56 7.803 -20.720 59.215 1.00 57.85 N ATOM 383 CA ARG A 56 8.406 -21.478 58.122 1.00 59.04 C ATOM 384 C ARG A 56 7.798 -22.849 57.852 1.00 58.83 C ATOM 385 O ARG A 56 8.314 -23.604 57.023 1.00 57.91 O ATOM 386 CB ARG A 56 9.913 -21.582 58.318 1.00 59.36 C ATOM 387 CG ARG A 56 10.666 -20.631 57.416 1.00 63.99 C ATOM 388 CD ARG A 56 11.783 -19.937 58.161 1.00 64.98 C ATOM 389 NE ARG A 56 12.614 -19.189 57.231 1.00 70.04 N ATOM 390 CZ ARG A 56 13.259 -18.066 57.528 1.00 73.64 C ATOM 391 NH1 ARG A 56 13.995 -17.468 56.602 1.00 74.20 N ATOM 392 NH2 ARG A 56 13.159 -17.530 58.739 1.00 76.38 N ATOM 393 N ASN A 57 6.707 -23.169 58.546 1.00 57.85 N ATOM 394 CA ASN A 57 5.942 -24.380 58.253 1.00 57.37 C ATOM 395 C ASN A 57 4.925 -24.122 57.139 1.00 58.14 C ATOM 396 O ASN A 57 4.280 -25.053 56.648 1.00 60.73 O ATOM 397 CB ASN A 57 5.254 -24.925 59.515 1.00 56.98 C ATOM 398 N VAL A 58 4.785 -22.854 56.748 1.00 56.35 N ATOM 399 CA VAL A 58 3.858 -22.462 55.680 1.00 57.19 C ATOM 400 C VAL A 58 4.506 -21.559 54.635 1.00 54.82 C ATOM 401 O VAL A 58 5.314 -20.688 54.963 1.00 53.75 O ATOM 402 CB VAL A 58 2.556 -21.795 56.206 1.00 58.09 C ATOM 403 CG1 VAL A 58 1.663 -22.821 56.894 1.00 59.09 C ATOM 404 CG2 VAL A 58 2.863 -20.622 57.129 1.00 58.33 C ATOM 405 N GLN A 59 4.123 -21.781 53.381 1.00 51.48 N ATOM 406 CA GLN A 59 4.616 -21.020 52.242 1.00 48.71 C ATOM 407 C GLN A 59 3.461 -20.228 51.629 1.00 46.00 C ATOM 408 O GLN A 59 2.297 -20.601 51.781 1.00 48.08 O ATOM 409 CB GLN A 59 5.237 -21.973 51.210 1.00 48.38 C ATOM 410 N CYS A 60 3.781 -19.134 50.946 1.00 42.78 N ATOM 411 CA CYS A 60 2.771 -18.288 50.309 1.00 43.77 C ATOM 412 C CYS A 60 2.407 -18.792 48.905 1.00 45.12 C ATOM 413 O CYS A 60 3.135 -18.529 47.957 1.00 47.68 O ATOM 414 CB CYS A 60 3.279 -16.849 50.242 1.00 41.87 C ATOM 415 SG CYS A 60 2.116 -15.702 49.485 1.00 42.08 S ATOM 416 N ARG A 61 1.279 -19.497 48.783 1.00 46.89 N ATOM 417 CA ARG A 61 0.888 -20.211 47.555 1.00 47.02 C ATOM 418 C ARG A 61 -0.381 -19.641 46.917 1.00 45.64 C ATOM 419 O ARG A 61 -1.221 -19.079 47.616 1.00 43.92 O ATOM 420 CB ARG A 61 0.656 -21.703 47.848 1.00 50.26 C ATOM 421 CG ARG A 61 1.860 -22.487 48.345 1.00 54.45 C ATOM 422 CD ARG A 61 2.985 -22.509 47.324 1.00 62.03 C ATOM 423 NE ARG A 61 4.124 -23.301 47.788 1.00 67.38 N ATOM 424 CZ ARG A 61 5.401 -22.933 47.680 1.00 70.66 C ATOM 425 NH1 ARG A 61 6.354 -23.731 48.141 1.00 74.58 N ATOM 426 NH2 ARG A 61 5.733 -21.766 47.134 1.00 71.07 N ATOM 427 N PRO A 62 -0.534 -19.794 45.584 1.00 45.87 N ATOM 428 CA PRO A 62 -1.758 -19.304 44.944 1.00 45.26 C ATOM 429 C PRO A 62 -2.975 -20.181 45.258 1.00 46.63 C ATOM 430 O PRO A 62 -2.853 -21.412 45.337 1.00 43.64 O ATOM 431 CB PRO A 62 -1.425 -19.369 43.449 1.00 45.79 C ATOM 432 CG PRO A 62 -0.370 -20.421 43.332 1.00 43.66 C ATOM 433 CD PRO A 62 0.428 -20.340 44.601 1.00 45.92 C ATOM 434 N THR A 63 -4.128 -19.541 45.448 1.00 48.46 N ATOM 435 CA THR A 63 -5.397 -20.256 45.640 1.00 52.52 C ATOM 436 C THR A 63 -6.243 -20.298 44.365 1.00 56.16 C ATOM 437 O THR A 63 -6.862 -21.312 44.077 1.00 60.40 O ATOM 438 CB THR A 63 -6.228 -19.698 46.816 1.00 50.95 C ATOM 439 OG1 THR A 63 -6.389 -18.279 46.685 1.00 51.24 O ATOM 440 CG2 THR A 63 -5.535 -19.992 48.112 1.00 49.90 C ATOM 441 N GLN A 64 -6.272 -19.205 43.608 1.00 58.43 N ATOM 442 CA GLN A 64 -6.873 -19.227 42.267 1.00 63.48 C ATOM 443 C GLN A 64 -6.009 -18.526 41.207 1.00 64.05 C ATOM 444 O GLN A 64 -5.422 -17.470 41.467 1.00 63.86 O ATOM 445 CB GLN A 64 -8.317 -18.703 42.277 1.00 63.14 C ATOM 446 CG GLN A 64 -8.496 -17.292 42.809 1.00 66.51 C ATOM 447 CD GLN A 64 -9.944 -16.830 42.775 1.00 69.47 C ATOM 448 OE1 GLN A 64 -10.292 -15.888 42.053 1.00 68.87 O ATOM 449 NE2 GLN A 64 -10.799 -17.496 43.555 1.00 68.61 N ATOM 450 N VAL A 65 -5.938 -19.132 40.022 1.00 64.43 N ATOM 451 CA VAL A 65 -5.094 -18.646 38.921 1.00 61.39 C ATOM 452 C VAL A 65 -5.894 -18.370 37.641 1.00 62.13 C ATOM 453 O VAL A 65 -6.828 -19.098 37.323 1.00 63.37 O ATOM 454 CB VAL A 65 -3.937 -19.622 38.613 1.00 59.22 C ATOM 455 CG1 VAL A 65 -2.980 -19.703 39.787 1.00 57.91 C ATOM 456 CG2 VAL A 65 -4.460 -21.009 38.278 1.00 60.38 C ATOM 457 N GLN A 66 -5.506 -17.325 36.911 1.00 61.30 N ATOM 458 CA GLN A 66 -6.203 -16.881 35.694 1.00 59.19 C ATOM 459 C GLN A 66 -5.312 -17.041 34.459 1.00 58.22 C ATOM 460 O GLN A 66 -4.354 -16.280 34.293 1.00 56.69 O ATOM 461 CB GLN A 66 -6.583 -15.402 35.854 1.00 60.63 C ATOM 462 CG GLN A 66 -7.157 -14.704 34.633 1.00 60.83 C ATOM 463 CD GLN A 66 -8.666 -14.811 34.559 1.00 63.67 C ATOM 464 OE1 GLN A 66 -9.225 -15.907 34.596 1.00 67.10 O ATOM 465 NE2 GLN A 66 -9.335 -13.671 34.447 1.00 62.57 N ATOM 466 N LEU A 67 -5.610 -18.027 33.606 1.00 54.08 N ATOM 467 CA LEU A 67 -4.926 -18.153 32.307 1.00 48.46 C ATOM 468 C LEU A 67 -5.237 -16.952 31.407 1.00 48.22 C ATOM 469 O LEU A 67 -6.378 -16.481 31.343 1.00 46.43 O ATOM 470 CB LEU A 67 -5.267 -19.465 31.610 1.00 45.95 C ATOM 471 CG LEU A 67 -4.665 -20.705 32.280 1.00 48.34 C ATOM 472 CD1 LEU A 67 -5.045 -21.968 31.516 1.00 44.54 C ATOM 473 CD2 LEU A 67 -3.147 -20.597 32.445 1.00 45.51 C ATOM 474 N ARG A 68 -4.201 -16.428 30.757 1.00 46.14 N ATOM 475 CA ARG A 68 -4.322 -15.217 29.953 1.00 44.91 C ATOM 476 C ARG A 68 -3.477 -15.376 28.690 1.00 47.88 C ATOM 477 O ARG A 68 -2.246 -15.432 28.753 1.00 48.46 O ATOM 478 CB ARG A 68 -3.901 -13.992 30.762 1.00 41.99 C ATOM 479 CG ARG A 68 -4.003 -12.673 30.015 1.00 43.48 C ATOM 480 CD ARG A 68 -3.861 -11.473 30.946 1.00 42.40 C ATOM 481 NE ARG A 68 -2.697 -11.591 31.827 1.00 42.97 N ATOM 482 CZ ARG A 68 -1.527 -10.977 31.643 1.00 44.98 C ATOM 483 NH1 ARG A 68 -1.330 -10.178 30.599 1.00 43.06 N ATOM 484 NH2 ARG A 68 -0.543 -11.163 32.515 1.00 44.25 N ATOM 485 N PRO A 69 -4.140 -15.497 27.532 1.00 49.54 N ATOM 486 CA PRO A 69 -3.368 -15.648 26.307 1.00 45.36 C ATOM 487 C PRO A 69 -2.944 -14.283 25.782 1.00 43.28 C ATOM 488 O PRO A 69 -3.728 -13.320 25.831 1.00 41.95 O ATOM 489 CB PRO A 69 -4.354 -16.333 25.344 1.00 47.87 C ATOM 490 CG PRO A 69 -5.690 -16.377 26.044 1.00 49.64 C ATOM 491 CD PRO A 69 -5.592 -15.523 27.276 1.00 49.91 C ATOM 492 N VAL A 70 -1.696 -14.190 25.334 1.00 40.03 N ATOM 493 CA VAL A 70 -1.210 -12.981 24.667 1.00 40.47 C ATOM 494 C VAL A 70 -0.531 -13.320 23.342 1.00 40.12 C ATOM 495 O VAL A 70 0.079 -14.386 23.178 1.00 37.78 O ATOM 496 CB VAL A 70 -0.251 -12.119 25.541 1.00 40.64 C ATOM 497 CG1 VAL A 70 -0.986 -11.520 26.736 1.00 37.90 C ATOM 498 CG2 VAL A 70 0.998 -12.903 25.958 1.00 37.51 C ATOM 499 N GLN A 71 -0.642 -12.376 22.418 1.00 39.60 N ATOM 500 CA GLN A 71 -0.160 -12.512 21.060 1.00 40.75 C ATOM 501 C GLN A 71 1.221 -11.890 21.021 1.00 37.94 C ATOM 502 O GLN A 71 1.374 -10.704 21.312 1.00 37.31 O ATOM 503 CB GLN A 71 -1.106 -11.734 20.137 1.00 46.74 C ATOM 504 CG GLN A 71 -1.047 -12.094 18.664 1.00 54.21 C ATOM 505 CD GLN A 71 -2.273 -11.604 17.897 1.00 61.04 C ATOM 506 OE1 GLN A 71 -2.438 -10.400 17.653 1.00 66.50 O ATOM 507 NE2 GLN A 71 -3.137 -12.540 17.505 1.00 60.96 N ATOM 508 N VAL A 72 2.229 -12.686 20.694 1.00 33.79 N ATOM 509 CA VAL A 72 3.563 -12.140 20.520 1.00 35.77 C ATOM 510 C VAL A 72 3.942 -12.127 19.047 1.00 36.70 C ATOM 511 O VAL A 72 3.505 -12.979 18.274 1.00 38.65 O ATOM 512 CB VAL A 72 4.643 -12.895 21.336 1.00 35.68 C ATOM 513 CG1 VAL A 72 4.262 -12.942 22.806 1.00 35.53 C ATOM 514 CG2 VAL A 72 4.863 -14.294 20.796 1.00 36.69 C ATOM 515 N ARG A 73 4.752 -11.153 18.667 1.00 35.53 N ATOM 516 CA ARG A 73 5.265 -11.080 17.310 1.00 36.30 C ATOM 517 C ARG A 73 6.403 -12.069 17.109 1.00 34.57 C ATOM 518 O ARG A 73 7.249 -12.225 17.979 1.00 32.81 O ATOM 519 CB ARG A 73 5.696 -9.650 17.006 1.00 37.81 C ATOM 520 CG ARG A 73 4.495 -8.819 16.625 1.00 40.73 C ATOM 521 CD ARG A 73 4.497 -7.412 17.172 1.00 44.75 C ATOM 522 NE ARG A 73 3.576 -6.630 16.347 1.00 50.54 N ATOM 523 CZ ARG A 73 3.918 -5.594 15.583 1.00 51.23 C ATOM 524 NH1 ARG A 73 2.986 -4.998 14.866 1.00 49.09 N ATOM 525 NH2 ARG A 73 5.174 -5.138 15.551 1.00 52.25 N ATOM 526 N LYS A 74 6.409 -12.740 15.960 1.00 33.49 N ATOM 527 CA LYS A 74 7.434 -13.737 15.656 1.00 33.39 C ATOM 528 C LYS A 74 8.019 -13.562 14.254 1.00 33.77 C ATOM 529 O LYS A 74 7.286 -13.360 13.287 1.00 35.11 O ATOM 530 CB LYS A 74 6.846 -15.138 15.809 1.00 33.25 C ATOM 531 CG LYS A 74 7.822 -16.261 15.520 1.00 33.21 C ATOM 532 CD LYS A 74 7.068 -17.553 15.267 1.00 34.26 C ATOM 533 CE LYS A 74 8.041 -18.716 15.137 1.00 36.66 C ATOM 534 NZ LYS A 74 7.304 -20.008 15.037 1.00 37.65 N ATOM 535 N ILE A 75 9.341 -13.637 14.151 1.00 33.67 N ATOM 536 CA ILE A 75 10.015 -13.618 12.860 1.00 33.05 C ATOM 537 C ILE A 75 10.761 -14.937 12.664 1.00 33.80 C ATOM 538 O ILE A 75 11.705 -15.239 13.400 1.00 33.08 O ATOM 539 CB ILE A 75 11.035 -12.464 12.767 1.00 32.68 C ATOM 540 CG1 ILE A 75 10.350 -11.101 12.886 1.00 32.43 C ATOM 541 CG2 ILE A 75 11.843 -12.557 11.476 1.00 31.92 C ATOM 542 CD1 ILE A 75 11.325 -9.944 12.961 1.00 31.85 C ATOM 543 N GLU A 76 10.348 -15.719 11.673 1.00 34.74 N ATOM 544 CA GLU A 76 11.148 -16.873 11.279 1.00 38.98 C ATOM 545 C GLU A 76 12.161 -16.435 10.227 1.00 40.31 C ATOM 546 O GLU A 76 11.795 -15.780 9.250 1.00 42.07 O ATOM 547 CB GLU A 76 10.259 -17.989 10.750 1.00 41.89 C ATOM 548 CG GLU A 76 9.099 -18.299 11.674 1.00 46.61 C ATOM 549 CD GLU A 76 8.403 -19.600 11.339 1.00 52.44 C ATOM 550 OE1 GLU A 76 8.976 -20.418 10.584 1.00 56.11 O ATOM 551 OE2 GLU A 76 7.280 -19.808 11.848 1.00 55.84 O ATOM 552 N ILE A 77 13.435 -16.756 10.442 1.00 39.97 N ATOM 553 CA ILE A 77 14.478 -16.366 9.495 1.00 41.23 C ATOM 554 C ILE A 77 14.805 -17.527 8.566 1.00 41.11 C ATOM 555 O ILE A 77 15.285 -18.577 8.997 1.00 41.70 O ATOM 556 CB ILE A 77 15.754 -15.814 10.182 1.00 42.79 C ATOM 557 CG1 ILE A 77 15.468 -14.467 10.855 1.00 42.63 C ATOM 558 CG2 ILE A 77 16.869 -15.596 9.170 1.00 41.03 C ATOM 559 CD1 ILE A 77 15.358 -14.538 12.355 1.00 42.88 C ATOM 560 N VAL A 78 14.507 -17.323 7.291 1.00 40.11 N ATOM 561 CA VAL A 78 14.643 -18.355 6.282 1.00 41.14 C ATOM 562 C VAL A 78 15.549 -17.820 5.182 1.00 41.21 C ATOM 563 O VAL A 78 15.244 -16.814 4.538 1.00 41.07 O ATOM 564 CB VAL A 78 13.260 -18.777 5.747 1.00 42.50 C ATOM 565 CG1 VAL A 78 13.395 -19.724 4.563 1.00 40.36 C ATOM 566 CG2 VAL A 78 12.434 -19.406 6.863 1.00 39.58 C ATOM 567 N ARG A 79 16.688 -18.484 5.013 1.00 44.59 N ATOM 568 CA ARG A 79 17.773 -18.021 4.140 1.00 45.08 C ATOM 569 C ARG A 79 17.971 -16.519 4.263 1.00 44.40 C ATOM 570 O ARG A 79 17.945 -15.794 3.271 1.00 42.43 O ATOM 571 CB ARG A 79 17.523 -18.416 2.680 1.00 48.33 C ATOM 572 CG ARG A 79 17.177 -19.882 2.457 1.00 51.97 C ATOM 573 CD ARG A 79 17.271 -20.258 0.988 1.00 58.05 C ATOM 574 NE ARG A 79 16.885 -19.156 0.107 1.00 61.98 N ATOM 575 CZ ARG A 79 17.538 -18.826 -1.004 1.00 66.67 C ATOM 576 NH1 ARG A 79 18.614 -19.514 -1.376 1.00 71.35 N ATOM 577 NH2 ARG A 79 17.126 -17.801 -1.740 1.00 67.98 N ATOM 578 N LYS A 80 18.136 -16.063 5.503 1.00 45.84 N ATOM 579 CA LYS A 80 18.419 -14.655 5.821 1.00 45.52 C ATOM 580 C LYS A 80 17.256 -13.658 5.575 1.00 43.61 C ATOM 581 O LYS A 80 17.445 -12.452 5.725 1.00 45.26 O ATOM 582 CB LYS A 80 19.739 -14.190 5.157 1.00 43.86 C ATOM 583 N LYS A 81 16.066 -14.153 5.222 1.00 41.44 N ATOM 584 CA LYS A 81 14.887 -13.293 5.017 1.00 38.66 C ATOM 585 C LYS A 81 13.827 -13.555 6.095 1.00 39.85 C ATOM 586 O LYS A 81 13.663 -14.693 6.542 1.00 39.43 O ATOM 587 CB LYS A 81 14.284 -13.501 3.618 1.00 37.97 C ATOM 588 N PRO A 82 13.107 -12.505 6.528 1.00 40.33 N ATOM 589 CA PRO A 82 12.135 -12.681 7.613 1.00 39.31 C ATOM 590 C PRO A 82 10.734 -13.042 7.149 1.00 39.23 C ATOM 591 O PRO A 82 10.186 -12.392 6.257 1.00 39.97 O ATOM 592 CB PRO A 82 12.103 -11.300 8.267 1.00 39.40 C ATOM 593 CG PRO A 82 12.370 -10.365 7.138 1.00 41.07 C ATOM 594 CD PRO A 82 13.288 -11.083 6.181 1.00 39.53 C ATOM 595 N ILE A 83 10.161 -14.064 7.773 1.00 37.61 N ATOM 596 CA ILE A 83 8.762 -14.390 7.597 1.00 36.06 C ATOM 597 C ILE A 83 8.025 -13.971 8.864 1.00 36.81 C ATOM 598 O ILE A 83 8.327 -14.460 9.955 1.00 36.28 O ATOM 599 CB ILE A 83 8.557 -15.894 7.334 1.00 35.97 C ATOM 600 CG1 ILE A 83 9.349 -16.318 6.094 1.00 38.31 C ATOM 601 CG2 ILE A 83 7.072 -16.215 7.163 1.00 34.72 C ATOM 602 CD1 ILE A 83 9.359 -17.813 5.851 1.00 39.38 C ATOM 603 N PHE A 84 7.066 -13.065 8.713 1.00 35.68 N ATOM 604 CA PHE A 84 6.340 -12.540 9.850 1.00 37.50 C ATOM 605 C PHE A 84 5.189 -13.455 10.217 1.00 40.60 C ATOM 606 O PHE A 84 4.407 -13.869 9.359 1.00 41.38 O ATOM 607 CB PHE A 84 5.874 -11.102 9.584 1.00 36.10 C ATOM 608 CG PHE A 84 6.971 -10.213 9.070 1.00 35.72 C ATOM 609 CD1 PHE A 84 8.080 -9.918 9.870 1.00 33.68 C ATOM 610 CD2 PHE A 84 6.924 -9.704 7.775 1.00 34.64 C ATOM 611 CE1 PHE A 84 9.108 -9.124 9.397 1.00 32.21 C ATOM 612 CE2 PHE A 84 7.953 -8.918 7.292 1.00 33.12 C ATOM 613 CZ PHE A 84 9.046 -8.630 8.103 1.00 33.77 C ATOM 614 N LYS A 85 5.123 -13.781 11.506 1.00 43.14 N ATOM 615 CA LYS A 85 4.112 -14.663 12.074 1.00 43.05 C ATOM 616 C LYS A 85 3.631 -14.076 13.396 1.00 43.50 C ATOM 617 O LYS A 85 4.210 -13.116 13.915 1.00 42.90 O ATOM 618 CB LYS A 85 4.699 -16.051 12.318 1.00 45.25 C ATOM 619 CG LYS A 85 4.533 -17.053 11.184 1.00 47.99 C ATOM 620 CD LYS A 85 4.421 -18.457 11.787 1.00 51.96 C ATOM 621 CE LYS A 85 3.961 -19.532 10.805 1.00 52.81 C ATOM 622 NZ LYS A 85 4.987 -19.856 9.774 1.00 53.37 N ATOM 623 N LYS A 86 2.562 -14.649 13.930 1.00 42.36 N ATOM 624 CA LYS A 86 2.093 -14.319 15.268 1.00 43.55 C ATOM 625 C LYS A 86 1.992 -15.603 16.077 1.00 43.16 C ATOM 626 O LYS A 86 1.553 -16.629 15.565 1.00 45.10 O ATOM 627 CB LYS A 86 0.736 -13.623 15.216 1.00 43.10 C ATOM 628 CG LYS A 86 0.785 -12.240 14.601 1.00 45.05 C ATOM 629 CD LYS A 86 -0.556 -11.535 14.682 1.00 46.39 C ATOM 630 CE LYS A 86 -0.486 -10.192 13.978 1.00 49.75 C ATOM 631 NZ LYS A 86 -1.686 -9.354 14.239 1.00 53.08 N ATOM 632 N ALA A 87 2.422 -15.556 17.330 1.00 41.84 N ATOM 633 CA ALA A 87 2.287 -16.711 18.207 1.00 40.84 C ATOM 634 C ALA A 87 1.486 -16.322 19.441 1.00 40.29 C ATOM 635 O ALA A 87 1.472 -15.159 19.844 1.00 38.74 O ATOM 636 CB ALA A 87 3.650 -17.268 18.585 1.00 39.68 C ATOM 637 N THR A 88 0.793 -17.297 20.013 1.00 40.88 N ATOM 638 CA THR A 88 -0.001 -17.071 21.206 1.00 42.12 C ATOM 639 C THR A 88 0.715 -17.717 22.396 1.00 40.46 C ATOM 640 O THR A 88 1.008 -18.907 22.374 1.00 38.17 O ATOM 641 CB THR A 88 -1.435 -17.626 21.032 1.00 44.18 C ATOM 642 OG1 THR A 88 -2.037 -17.042 19.864 1.00 45.68 O ATOM 643 CG2 THR A 88 -2.298 -17.312 22.260 1.00 44.18 C ATOM 644 N VAL A 89 1.033 -16.915 23.407 1.00 39.95 N ATOM 645 CA VAL A 89 1.592 -17.431 24.662 1.00 39.74 C ATOM 646 C VAL A 89 0.520 -17.336 25.744 1.00 40.52 C ATOM 647 O VAL A 89 -0.096 -16.285 25.928 1.00 40.32 O ATOM 648 CB VAL A 89 2.862 -16.669 25.104 1.00 37.98 C ATOM 649 CG1 VAL A 89 3.348 -17.181 26.452 1.00 37.51 C ATOM 650 CG2 VAL A 89 3.968 -16.824 24.070 1.00 37.53 C ATOM 651 N THR A 90 0.286 -18.444 26.443 1.00 42.04 N ATOM 652 CA THR A 90 -0.697 -18.470 27.526 1.00 42.82 C ATOM 653 C THR A 90 -0.008 -18.114 28.847 1.00 40.21 C ATOM 654 O THR A 90 0.709 -18.931 29.409 1.00 36.75 O ATOM 655 CB THR A 90 -1.371 -19.855 27.665 1.00 44.23 C ATOM 656 OG1 THR A 90 -1.863 -20.298 26.387 1.00 48.42 O ATOM 657 CG2 THR A 90 -2.530 -19.790 28.677 1.00 42.93 C ATOM 658 N LEU A 91 -0.227 -16.891 29.322 1.00 39.33 N ATOM 659 CA LEU A 91 0.288 -16.458 30.617 1.00 40.03 C ATOM 660 C LEU A 91 -0.557 -16.985 31.779 1.00 43.54 C ATOM 661 O LEU A 91 -1.771 -17.177 31.638 1.00 43.83 O ATOM 662 CB LEU A 91 0.318 -14.936 30.685 1.00 36.95 C ATOM 663 CG LEU A 91 1.126 -14.170 29.641 1.00 37.26 C ATOM 664 CD1 LEU A 91 1.043 -12.684 29.940 1.00 36.10 C ATOM 665 CD2 LEU A 91 2.581 -14.630 29.576 1.00 35.92 C ATOM 666 N GLU A 92 0.087 -17.204 32.927 1.00 45.65 N ATOM 667 CA GLU A 92 -0.632 -17.500 34.166 1.00 45.12 C ATOM 668 C GLU A 92 -0.497 -16.383 35.206 1.00 43.68 C ATOM 669 O GLU A 92 0.592 -16.098 35.698 1.00 45.18 O ATOM 670 CB GLU A 92 -0.189 -18.834 34.745 1.00 47.00 C ATOM 671 CG GLU A 92 -1.009 -19.253 35.943 1.00 56.13 C ATOM 672 CD GLU A 92 -0.563 -20.581 36.506 1.00 62.22 C ATOM 673 OE1 GLU A 92 -1.022 -21.621 35.991 1.00 67.27 O ATOM 674 OE2 GLU A 92 0.241 -20.580 37.466 1.00 64.95 O ATOM 675 N ASP A 93 -1.619 -15.737 35.509 1.00 43.56 N ATOM 676 CA ASP A 93 -1.710 -14.783 36.609 1.00 43.30 C ATOM 677 C ASP A 93 -2.165 -15.488 37.883 1.00 45.18 C ATOM 678 O ASP A 93 -3.027 -16.380 37.832 1.00 46.93 O ATOM 679 CB ASP A 93 -2.715 -13.684 36.285 1.00 43.02 C ATOM 680 CG ASP A 93 -2.159 -12.629 35.372 1.00 41.87 C ATOM 681 OD1 ASP A 93 -0.935 -12.458 35.318 1.00 44.16 O ATOM 682 OD2 ASP A 93 -2.955 -11.947 34.715 1.00 40.98 O ATOM 683 N HIS A 94 -1.584 -15.099 39.019 1.00 43.66 N ATOM 684 CA HIS A 94 -2.129 -15.484 40.317 1.00 40.83 C ATOM 685 C HIS A 94 -3.187 -14.473 40.694 1.00 42.43 C ATOM 686 O HIS A 94 -2.941 -13.263 40.659 1.00 41.69 O ATOM 687 CB HIS A 94 -1.036 -15.567 41.386 1.00 39.15 C ATOM 688 CG HIS A 94 -0.061 -16.710 41.196 1.00 39.45 C ATOM 689 ND1 HIS A 94 1.106 -16.782 41.868 1.00 38.80 N ATOM 690 CD2 HIS A 94 -0.101 -17.831 40.362 1.00 39.67 C ATOM 691 CE1 HIS A 94 1.772 -17.895 41.499 1.00 37.53 C ATOM 692 NE2 HIS A 94 1.033 -18.535 40.576 1.00 38.61 N ATOM 693 N LEU A 95 -4.383 -14.953 41.038 1.00 46.33 N ATOM 694 CA LEU A 95 -5.499 -14.069 41.412 1.00 49.26 C ATOM 695 C LEU A 95 -5.663 -13.912 42.921 1.00 49.29 C ATOM 696 O LEU A 95 -6.118 -12.867 43.393 1.00 47.64 O ATOM 697 CB LEU A 95 -6.817 -14.564 40.810 1.00 52.49 C ATOM 698 CG LEU A 95 -7.043 -14.412 39.310 1.00 52.80 C ATOM 699 CD1 LEU A 95 -8.309 -15.163 38.927 1.00 53.08 C ATOM 700 CD2 LEU A 95 -7.127 -12.944 38.912 1.00 51.21 C ATOM 701 N ALA A 96 -5.316 -14.963 43.665 1.00 48.84 N ATOM 702 CA ALA A 96 -5.346 -14.931 45.129 1.00 49.11 C ATOM 703 C ALA A 96 -4.356 -15.918 45.734 1.00 47.82 C ATOM 704 O ALA A 96 -4.039 -16.953 45.122 1.00 45.32 O ATOM 705 CB ALA A 96 -6.750 -15.209 45.650 1.00 48.37 C ATOM 706 N CYS A 97 -3.890 -15.581 46.941 1.00 44.85 N ATOM 707 CA CYS A 97 -2.895 -16.357 47.673 1.00 43.71 C ATOM 708 C CYS A 97 -3.329 -16.537 49.126 1.00 44.80 C ATOM 709 O CYS A 97 -4.079 -15.719 49.669 1.00 41.91 O ATOM 710 CB CYS A 97 -1.533 -15.649 47.658 1.00 44.20 C ATOM 711 SG CYS A 97 -1.257 -14.490 46.292 1.00 46.99 S ATOM 712 N LYS A 98 -2.858 -17.622 49.739 1.00 44.57 N ATOM 713 CA LYS A 98 -2.937 -17.824 51.179 1.00 43.62 C ATOM 714 C LYS A 98 -1.664 -18.519 51.639 1.00 43.60 C ATOM 715 O LYS A 98 -1.002 -19.195 50.847 1.00 43.56 O ATOM 716 CB LYS A 98 -4.149 -18.681 51.560 1.00 44.96 C ATOM 717 CG LYS A 98 -4.018 -20.161 51.217 1.00 43.82 C ATOM 718 CD LYS A 98 -4.554 -21.084 52.305 1.00 45.36 C ATOM 719 CE LYS A 98 -6.036 -20.884 52.587 1.00 45.23 C ATOM 720 NZ LYS A 98 -6.538 -21.847 53.608 1.00 43.42 N ATOM 721 N CYS A 99 -1.333 -18.354 52.917 1.00 42.12 N ATOM 722 CA CYS A 99 -0.242 -19.092 53.539 1.00 42.97 C ATOM 723 C CYS A 99 -0.707 -20.523 53.775 1.00 45.82 C ATOM 724 O CYS A 99 -1.806 -20.732 54.273 1.00 48.82 O ATOM 725 CB CYS A 99 0.170 -18.424 54.844 1.00 39.87 C ATOM 726 SG CYS A 99 0.793 -16.748 54.618 1.00 38.61 S ATOM 727 N GLU A 100 0.135 -21.496 53.433 1.00 50.35 N ATOM 728 CA GLU A 100 -0.330 -22.850 53.168 1.00 55.74 C ATOM 729 C GLU A 100 0.620 -23.957 53.621 1.00 59.57 C ATOM 730 O GLU A 100 1.830 -23.766 53.657 1.00 60.60 O ATOM 731 CB GLU A 100 -0.564 -22.986 51.667 1.00 59.54 C ATOM 732 CG GLU A 100 -1.650 -23.962 51.274 1.00 62.46 C ATOM 733 CD GLU A 100 -2.182 -23.667 49.893 1.00 62.29 C ATOM 734 OE1 GLU A 100 -3.279 -23.079 49.808 1.00 63.49 O ATOM 735 OE2 GLU A 100 -1.496 -23.997 48.902 1.00 62.60 O ATOM 736 N THR A 101 0.029 -25.120 53.920 1.00 66.14 N ATOM 737 CA THR A 101 0.701 -26.365 54.372 1.00 67.26 C ATOM 738 C THR A 101 1.522 -26.220 55.656 1.00 69.19 C ATOM 739 O THR A 101 1.028 -26.497 56.754 1.00 73.85 O ATOM 740 CB THR A 101 1.531 -27.083 53.265 1.00 66.64 C ATOM 741 OG1 THR A 101 2.837 -26.500 53.157 1.00 65.62 O ATOM 742 CG2 THR A 101 0.816 -27.057 51.903 1.00 63.78 C TER 743 THR A 101 HETATM 744 N1 DUZ C 1 15.810 -13.057 21.177 1.00 35.23 N HETATM 745 C2 DUZ C 1 14.489 -12.778 20.755 1.00 36.35 C HETATM 746 O2 DUZ C 1 13.928 -13.573 19.966 1.00 36.85 O HETATM 747 N3 DUZ C 1 13.818 -11.681 21.178 1.00 34.35 N HETATM 748 C4 DUZ C 1 14.384 -10.819 22.018 1.00 33.75 C HETATM 749 O4 DUZ C 1 13.726 -9.824 22.377 1.00 34.16 O HETATM 750 C5 DUZ C 1 15.780 -11.081 22.469 1.00 33.98 C HETATM 751 C6 DUZ C 1 16.411 -12.242 22.037 1.00 35.10 C HETATM 752 C1' DUZ C 1 16.473 -14.282 20.719 1.00 39.07 C HETATM 753 C2' DUZ C 1 17.899 -14.147 20.187 1.00 39.29 C HETATM 754 C21 DUZ C 1 16.533 -10.254 23.464 1.00 36.10 C HETATM 755 O22 DUZ C 1 17.720 -10.481 23.654 1.00 38.01 O HETATM 756 N23 DUZ C 1 15.896 -9.357 24.204 1.00 37.84 N HETATM 757 C24 DUZ C 1 16.467 -8.532 25.267 1.00 37.56 C HETATM 758 C25 DUZ C 1 16.204 -9.248 26.599 1.00 36.01 C HETATM 759 C26 DUZ C 1 16.293 -8.557 27.808 1.00 35.21 C HETATM 760 C27 DUZ C 1 16.046 -9.214 29.019 1.00 34.99 C HETATM 761 C28 DUZ C 1 15.710 -10.568 29.061 1.00 35.50 C HETATM 762 C29 DUZ C 1 15.621 -11.270 27.857 1.00 36.93 C HETATM 763 C3' DUZ C 1 18.567 -15.426 20.662 1.00 40.61 C HETATM 764 O3' DUZ C 1 18.354 -16.473 19.719 1.00 41.62 O HETATM 765 C30 DUZ C 1 15.861 -10.610 26.638 1.00 36.03 C HETATM 766 C4' DUZ C 1 17.783 -15.885 21.879 1.00 41.13 C HETATM 767 O4' DUZ C 1 16.550 -15.162 21.849 1.00 41.29 O HETATM 768 C5' DUZ C 1 18.523 -15.621 23.180 1.00 41.04 C HETATM 769 O5' DUZ C 1 18.872 -14.236 23.211 1.00 46.19 O HETATM 770 P DUZ C 2 19.414 -16.869 18.595 1.00 40.95 P HETATM 771 N1 DUZ C 2 18.981 -13.807 14.073 1.00 40.59 N HETATM 772 C2 DUZ C 2 19.001 -12.921 12.956 1.00 39.82 C HETATM 773 O2 DUZ C 2 18.866 -13.364 11.797 1.00 40.48 O HETATM 774 N3 DUZ C 2 19.168 -11.600 13.111 1.00 38.27 N HETATM 775 C4 DUZ C 2 19.300 -11.071 14.333 1.00 38.43 C HETATM 776 O4 DUZ C 2 19.444 -9.837 14.462 1.00 37.94 O HETATM 777 C5 DUZ C 2 19.291 -11.977 15.514 1.00 39.24 C HETATM 778 C6 DUZ C 2 19.097 -13.334 15.317 1.00 39.72 C HETATM 779 C1' DUZ C 2 18.759 -15.241 13.877 1.00 41.10 C HETATM 780 C2' DUZ C 2 19.858 -16.176 14.354 1.00 40.89 C HETATM 781 C21 DUZ C 2 19.399 -11.496 16.924 1.00 40.90 C HETATM 782 O22 DUZ C 2 19.442 -12.346 17.800 1.00 41.32 O HETATM 783 N23 DUZ C 2 19.392 -10.190 17.196 1.00 40.34 N HETATM 784 C24 DUZ C 2 19.420 -9.578 18.521 1.00 40.74 C HETATM 785 C25 DUZ C 2 17.974 -9.237 18.849 1.00 41.91 C HETATM 786 C26 DUZ C 2 17.666 -8.381 19.901 1.00 42.09 C HETATM 787 C27 DUZ C 2 16.335 -8.063 20.182 1.00 42.13 C HETATM 788 C28 DUZ C 2 15.287 -8.595 19.434 1.00 40.84 C HETATM 789 C29 DUZ C 2 15.589 -9.455 18.383 1.00 42.66 C HETATM 790 C3' DUZ C 2 19.071 -17.401 14.776 1.00 40.61 C HETATM 791 O3' DUZ C 2 18.750 -18.198 13.636 1.00 44.02 O HETATM 792 C30 DUZ C 2 16.920 -9.771 18.092 1.00 42.42 C HETATM 793 C4' DUZ C 2 17.724 -16.874 15.232 1.00 41.03 C HETATM 794 O4' DUZ C 2 17.589 -15.588 14.630 1.00 41.95 O HETATM 795 C5' DUZ C 2 17.582 -16.759 16.743 1.00 38.99 C HETATM 796 O5' DUZ C 2 18.758 -16.175 17.299 1.00 40.39 O HETATM 797 OP1 DUZ C 2 19.264 -18.365 18.419 1.00 41.04 O HETATM 798 OP2 DUZ C 2 20.745 -16.239 18.902 1.00 39.09 O HETATM 799 P A2M C 3 19.720 -19.284 12.979 1.00 45.36 P HETATM 800 OP1 A2M C 3 18.851 -20.141 12.086 1.00 46.97 O HETATM 801 O5' A2M C 3 20.713 -18.388 12.095 1.00 46.58 O HETATM 802 C5' A2M C 3 20.280 -17.832 10.858 1.00 50.45 C HETATM 803 C4' A2M C 3 21.328 -16.849 10.344 1.00 52.28 C HETATM 804 O4' A2M C 3 21.334 -15.642 11.125 1.00 50.40 O HETATM 805 C3' A2M C 3 22.747 -17.402 10.371 1.00 54.89 C HETATM 806 O3' A2M C 3 23.302 -16.996 9.111 1.00 62.73 O HETATM 807 C2' A2M C 3 23.364 -16.655 11.545 1.00 53.10 C HETATM 808 O2' A2M C 3 24.783 -16.570 11.485 1.00 55.98 O HETATM 809 C1' A2M C 3 22.684 -15.296 11.440 1.00 49.29 C HETATM 810 CM' A2M C 3 25.403 -17.496 12.382 1.00 56.03 C HETATM 811 N9 A2M C 3 22.712 -14.426 12.645 1.00 45.56 N HETATM 812 C8 A2M C 3 22.857 -14.803 13.930 1.00 43.32 C HETATM 813 N7 A2M C 3 22.819 -13.718 14.754 1.00 43.75 N HETATM 814 C5 A2M C 3 22.647 -12.618 13.999 1.00 42.23 C HETATM 815 C6 A2M C 3 22.522 -11.156 14.222 1.00 41.20 C HETATM 816 N6 A2M C 3 22.568 -10.625 15.459 1.00 41.38 N HETATM 817 N1 A2M C 3 22.345 -10.346 13.153 1.00 42.36 N HETATM 818 C2 A2M C 3 22.292 -10.846 11.905 1.00 42.84 C HETATM 819 N3 A2M C 3 22.406 -12.167 11.633 1.00 44.57 N HETATM 820 C4 A2M C 3 22.577 -13.092 12.610 1.00 43.79 C HETATM 821 OP2 A2M C 3 20.564 -19.924 14.042 1.00 46.81 O ATOM 822 P DC C 4 24.500 -17.687 8.288 1.00 68.67 P ATOM 823 OP1 DC C 4 24.391 -17.153 6.903 1.00 65.76 O ATOM 824 OP2 DC C 4 24.470 -19.158 8.514 1.00 64.04 O ATOM 825 O5' DC C 4 25.778 -17.050 9.005 1.00 70.95 O ATOM 826 C5' DC C 4 26.778 -16.284 8.295 1.00 69.11 C ATOM 827 C4' DC C 4 26.403 -14.823 8.172 1.00 68.55 C ATOM 828 O4' DC C 4 25.494 -14.385 9.207 1.00 66.11 O ATOM 829 C3' DC C 4 27.564 -13.848 8.297 1.00 72.38 C ATOM 830 O3' DC C 4 28.415 -13.838 7.150 1.00 80.95 O ATOM 831 C2' DC C 4 26.843 -12.534 8.524 1.00 64.55 C ATOM 832 C1' DC C 4 25.625 -12.963 9.348 1.00 60.97 C ATOM 833 N1 DC C 4 25.729 -12.645 10.785 1.00 56.03 N ATOM 834 C2 DC C 4 25.601 -11.308 11.188 1.00 54.89 C ATOM 835 O2 DC C 4 25.399 -10.438 10.327 1.00 55.33 O ATOM 836 N3 DC C 4 25.693 -11.001 12.502 1.00 50.94 N ATOM 837 C4 DC C 4 25.901 -11.967 13.399 1.00 52.17 C ATOM 838 N4 DC C 4 25.978 -11.618 14.685 1.00 50.75 N ATOM 839 C5 DC C 4 26.042 -13.336 13.016 1.00 50.90 C ATOM 840 C6 DC C 4 25.949 -13.626 11.711 1.00 51.97 C HETATM 841 O2 PE6 C 5 30.088 -15.449 8.055 1.00 81.68 O HETATM 842 P1 PE6 C 5 29.987 -13.981 7.441 1.00 89.62 P HETATM 843 OP1 PE6 C 5 30.399 -12.999 8.488 1.00 82.32 O HETATM 844 OP2 PE6 C 5 30.658 -13.965 6.115 1.00 88.28 O HETATM 845 O20 PE6 C 5 27.986 -0.869 18.232 1.00 81.66 O ATOM 846 P DG C 6 26.973 -1.866 17.794 1.00 84.38 P ATOM 847 OP1 DG C 6 25.867 -1.854 18.785 1.00 83.80 O ATOM 848 OP2 DG C 6 27.656 -3.147 17.470 1.00 81.91 O ATOM 849 O5' DG C 6 26.395 -1.237 16.450 1.00 79.18 O ATOM 850 C5' DG C 6 27.128 -1.320 15.216 1.00 69.36 C ATOM 851 C4' DG C 6 26.184 -1.535 14.056 1.00 63.06 C ATOM 852 O4' DG C 6 26.091 -2.943 13.743 1.00 63.39 O ATOM 853 C3' DG C 6 24.750 -1.046 14.260 1.00 62.80 C ATOM 854 O3' DG C 6 24.364 -0.372 13.059 1.00 65.62 O ATOM 855 C2' DG C 6 23.971 -2.317 14.560 1.00 59.37 C ATOM 856 C1' DG C 6 24.755 -3.411 13.850 1.00 54.78 C ATOM 857 N9 DG C 6 24.798 -4.690 14.554 1.00 47.93 N ATOM 858 C8 DG C 6 24.759 -4.885 15.914 1.00 46.00 C ATOM 859 N7 DG C 6 24.839 -6.144 16.254 1.00 46.41 N ATOM 860 C5 DG C 6 24.958 -6.820 15.046 1.00 43.64 C ATOM 861 C6 DG C 6 25.086 -8.208 14.777 1.00 42.04 C ATOM 862 O6 DG C 6 25.124 -9.149 15.579 1.00 41.11 O ATOM 863 N1 DG C 6 25.175 -8.459 13.412 1.00 41.99 N ATOM 864 C2 DG C 6 25.146 -7.499 12.430 1.00 41.15 C ATOM 865 N2 DG C 6 25.247 -7.942 11.171 1.00 41.94 N ATOM 866 N3 DG C 6 25.031 -6.203 12.666 1.00 41.90 N ATOM 867 C4 DG C 6 24.939 -5.936 13.987 1.00 45.20 C HETATM 868 P DUZ C 7 22.892 -0.149 12.491 1.00 64.09 P HETATM 869 N1 DUZ C 7 21.522 -5.645 12.057 1.00 49.59 N HETATM 870 C2 DUZ C 7 21.674 -7.047 12.123 1.00 48.43 C HETATM 871 O2 DUZ C 7 21.785 -7.689 11.062 1.00 48.85 O HETATM 872 N3 DUZ C 7 21.691 -7.694 13.310 1.00 47.99 N HETATM 873 C4 DUZ C 7 21.573 -7.013 14.469 1.00 49.02 C HETATM 874 O4 DUZ C 7 21.595 -7.638 15.543 1.00 47.95 O HETATM 875 C5 DUZ C 7 21.409 -5.527 14.421 1.00 49.63 C HETATM 876 C6 DUZ C 7 21.407 -4.932 13.171 1.00 49.24 C HETATM 877 C1' DUZ C 7 21.522 -4.939 10.779 1.00 53.04 C HETATM 878 C2' DUZ C 7 20.526 -3.789 10.679 1.00 56.40 C HETATM 879 C21 DUZ C 7 21.279 -4.536 15.551 1.00 52.05 C HETATM 880 O22 DUZ C 7 21.290 -3.360 15.236 1.00 56.81 O HETATM 881 N23 DUZ C 7 21.224 -4.710 16.855 1.00 51.80 N HETATM 882 C24 DUZ C 7 21.099 -5.709 17.880 1.00 53.69 C HETATM 883 C25 DUZ C 7 19.982 -4.958 18.583 1.00 54.23 C HETATM 884 C26 DUZ C 7 18.659 -5.404 18.501 1.00 53.08 C HETATM 885 C27 DUZ C 7 17.639 -4.681 19.122 1.00 54.75 C HETATM 886 C28 DUZ C 7 17.935 -3.497 19.805 1.00 54.76 C HETATM 887 C29 DUZ C 7 19.250 -3.030 19.869 1.00 54.17 C HETATM 888 C3' DUZ C 7 21.180 -2.884 9.653 1.00 59.04 C HETATM 889 O3' DUZ C 7 20.909 -3.481 8.382 1.00 62.70 O HETATM 890 C30 DUZ C 7 20.270 -3.758 19.248 1.00 54.19 C HETATM 891 C4' DUZ C 7 22.665 -3.086 9.887 1.00 59.47 C HETATM 892 O4' DUZ C 7 22.792 -4.307 10.625 1.00 57.21 O HETATM 893 C5' DUZ C 7 23.336 -1.926 10.616 1.00 61.32 C HETATM 894 O5' DUZ C 7 22.597 -1.559 11.780 1.00 65.42 O HETATM 895 OP1 DUZ C 7 21.938 0.061 13.638 1.00 65.08 O HETATM 896 OP2 DUZ C 7 23.035 0.894 11.409 1.00 67.33 O HETATM 897 P UBI C 8 20.963 -2.702 6.980 1.00 62.32 P HETATM 898 N1 UBI C 8 18.925 -7.912 7.794 1.00 44.31 N HETATM 899 C2 UBI C 8 19.294 -9.254 8.004 1.00 44.27 C HETATM 900 O2 UBI C 8 19.592 -9.939 7.007 1.00 42.84 O HETATM 901 N3 UBI C 8 19.322 -9.793 9.243 1.00 45.71 N HETATM 902 C4 UBI C 8 18.994 -9.046 10.315 1.00 44.89 C HETATM 903 O4 UBI C 8 19.017 -9.543 11.459 1.00 44.16 O HETATM 904 C5 UBI C 8 18.603 -7.623 10.106 1.00 44.36 C HETATM 905 C6 UBI C 8 18.599 -7.122 8.815 1.00 43.52 C HETATM 906 C1' UBI C 8 18.927 -7.391 6.429 1.00 47.73 C HETATM 907 C2' UBI C 8 17.642 -6.660 6.032 1.00 48.52 C HETATM 908 C21 UBI C 8 18.209 -6.690 11.211 1.00 44.33 C HETATM 909 O22 UBI C 8 17.784 -5.593 10.886 1.00 46.02 O HETATM 910 N23 UBI C 8 18.298 -7.048 12.491 1.00 44.80 N HETATM 911 C24 UBI C 8 17.950 -6.227 13.647 1.00 45.03 C HETATM 912 C25 UBI C 8 16.942 -6.949 14.544 1.00 45.68 C HETATM 913 C26 UBI C 8 16.634 -8.395 14.181 1.00 45.87 C HETATM 914 C27 UBI C 8 15.650 -6.159 14.582 1.00 49.17 C HETATM 915 C3' UBI C 8 18.128 -5.674 4.990 1.00 47.66 C HETATM 916 O3' UBI C 8 17.817 -6.240 3.717 1.00 46.19 O HETATM 917 C4' UBI C 8 19.644 -5.711 5.089 1.00 51.12 C HETATM 918 O4' UBI C 8 19.960 -6.420 6.284 1.00 49.00 O HETATM 919 C5' UBI C 8 20.304 -4.344 5.026 1.00 54.12 C HETATM 920 O5' UBI C 8 19.916 -3.612 6.163 1.00 58.78 O HETATM 921 OP1 UBI C 8 22.351 -2.843 6.399 1.00 58.53 O HETATM 922 OP2 UBI C 8 20.312 -1.349 7.148 1.00 58.48 O ATOM 923 P DA C 9 17.530 -5.265 2.488 1.00 42.75 P ATOM 924 OP1 DA C 9 17.783 -6.010 1.234 1.00 40.58 O ATOM 925 OP2 DA C 9 18.189 -3.948 2.737 1.00 42.10 O ATOM 926 O5' DA C 9 15.966 -5.022 2.643 1.00 40.34 O ATOM 927 C5' DA C 9 15.011 -5.979 2.162 1.00 39.54 C ATOM 928 C4' DA C 9 13.649 -5.330 2.133 1.00 39.92 C ATOM 929 O4' DA C 9 13.164 -5.181 3.488 1.00 40.08 O ATOM 930 C3' DA C 9 13.642 -3.924 1.537 1.00 41.37 C ATOM 931 O3' DA C 9 12.421 -3.755 0.808 1.00 42.39 O ATOM 932 C2' DA C 9 13.758 -3.025 2.759 1.00 40.41 C ATOM 933 C1' DA C 9 12.974 -3.804 3.803 1.00 41.08 C ATOM 934 N9 DA C 9 13.374 -3.608 5.199 1.00 40.98 N ATOM 935 C8 DA C 9 14.625 -3.762 5.744 1.00 40.05 C ATOM 936 N7 DA C 9 14.668 -3.556 7.038 1.00 40.37 N ATOM 937 C5 DA C 9 13.352 -3.266 7.373 1.00 40.27 C ATOM 938 C6 DA C 9 12.732 -2.955 8.598 1.00 39.87 C ATOM 939 N6 DA C 9 13.384 -2.888 9.762 1.00 38.97 N ATOM 940 N1 DA C 9 11.402 -2.713 8.587 1.00 39.29 N ATOM 941 C2 DA C 9 10.748 -2.789 7.422 1.00 40.22 C ATOM 942 N3 DA C 9 11.218 -3.075 6.207 1.00 41.55 N ATOM 943 C4 DA C 9 12.543 -3.300 6.251 1.00 40.97 C ATOM 944 P DC C 10 12.304 -2.679 -0.364 1.00 44.36 P ATOM 945 OP1 DC C 10 11.070 -3.020 -1.130 1.00 46.05 O ATOM 946 OP2 DC C 10 13.617 -2.606 -1.057 1.00 44.60 O ATOM 947 O5' DC C 10 12.078 -1.312 0.416 1.00 40.64 O ATOM 948 C5' DC C 10 10.909 -1.131 1.227 1.00 42.17 C ATOM 949 C4' DC C 10 11.003 0.169 1.989 1.00 42.87 C ATOM 950 O4' DC C 10 11.477 -0.078 3.334 1.00 45.46 O ATOM 951 C3' DC C 10 11.951 1.210 1.387 1.00 43.20 C ATOM 952 O3' DC C 10 11.285 2.471 1.400 1.00 43.45 O ATOM 953 C2' DC C 10 13.111 1.258 2.367 1.00 46.08 C ATOM 954 C1' DC C 10 12.408 0.934 3.669 1.00 46.30 C ATOM 955 N1 DC C 10 13.250 0.446 4.778 1.00 44.59 N ATOM 956 C2 DC C 10 12.710 0.419 6.070 1.00 45.02 C ATOM 957 O2 DC C 10 11.531 0.771 6.235 1.00 42.87 O ATOM 958 N3 DC C 10 13.478 -0.006 7.100 1.00 45.58 N ATOM 959 C4 DC C 10 14.741 -0.378 6.879 1.00 44.11 C ATOM 960 N4 DC C 10 15.460 -0.792 7.923 1.00 43.84 N ATOM 961 C5 DC C 10 15.320 -0.351 5.576 1.00 44.29 C ATOM 962 C6 DC C 10 14.546 0.066 4.565 1.00 44.39 C HETATM 963 P A2M C 11 11.430 3.490 0.185 1.00 41.44 P HETATM 964 OP1 A2M C 11 10.700 4.736 0.630 1.00 38.31 O HETATM 965 O5' A2M C 11 13.013 3.833 0.138 1.00 45.50 O HETATM 966 C5' A2M C 11 13.892 3.338 -0.882 1.00 48.95 C HETATM 967 C4' A2M C 11 14.639 4.500 -1.538 1.00 54.12 C HETATM 968 O4' A2M C 11 13.728 5.296 -2.316 1.00 54.59 O HETATM 969 C3' A2M C 11 15.296 5.444 -0.526 1.00 55.67 C HETATM 970 O3' A2M C 11 16.692 5.154 -0.335 1.00 57.06 O HETATM 971 C2' A2M C 11 15.047 6.847 -1.066 1.00 56.14 C HETATM 972 O2' A2M C 11 16.225 7.537 -1.494 1.00 59.76 O HETATM 973 C1' A2M C 11 14.079 6.680 -2.232 1.00 53.85 C HETATM 974 CM' A2M C 11 16.225 8.903 -1.054 1.00 57.43 C HETATM 975 N9 A2M C 11 12.916 7.532 -1.905 1.00 51.95 N HETATM 976 C8 A2M C 11 11.901 7.205 -1.083 1.00 52.17 C HETATM 977 N7 A2M C 11 11.005 8.217 -0.978 1.00 50.87 N HETATM 978 C5 A2M C 11 11.458 9.222 -1.746 1.00 50.59 C HETATM 979 C6 A2M C 11 10.997 10.580 -2.093 1.00 47.62 C HETATM 980 N6 A2M C 11 9.850 11.059 -1.573 1.00 48.09 N HETATM 981 N1 A2M C 11 11.753 11.305 -2.943 1.00 47.89 N HETATM 982 C2 A2M C 11 12.901 10.833 -3.468 1.00 48.07 C HETATM 983 N3 A2M C 11 13.388 9.610 -3.198 1.00 50.54 N HETATM 984 C4 A2M C 11 12.722 8.772 -2.355 1.00 51.67 C HETATM 985 OP2 A2M C 11 11.079 2.741 -1.074 1.00 41.77 O ATOM 986 P DC C 12 17.242 4.557 1.055 1.00 54.06 P ATOM 987 OP1 DC C 12 18.713 4.390 0.944 1.00 57.66 O ATOM 988 OP2 DC C 12 16.411 3.378 1.416 1.00 53.90 O ATOM 989 O5' DC C 12 16.971 5.764 2.059 1.00 50.13 O ATOM 990 C5' DC C 12 17.795 6.938 2.029 1.00 48.12 C ATOM 991 C4' DC C 12 17.565 7.780 3.264 1.00 49.83 C ATOM 992 O4' DC C 12 16.211 8.285 3.296 1.00 48.98 O ATOM 993 C3' DC C 12 17.777 7.076 4.603 1.00 53.28 C ATOM 994 O3' DC C 12 18.337 8.017 5.525 1.00 57.03 O ATOM 995 C2' DC C 12 16.370 6.694 5.030 1.00 52.13 C ATOM 996 C1' DC C 12 15.524 7.822 4.455 1.00 50.31 C ATOM 997 N1 DC C 12 14.168 7.434 4.036 1.00 48.95 N ATOM 998 C2 DC C 12 13.072 8.146 4.535 1.00 49.78 C ATOM 999 O2 DC C 12 13.270 9.049 5.362 1.00 49.47 O ATOM 1000 N3 DC C 12 11.826 7.818 4.119 1.00 48.29 N ATOM 1001 C4 DC C 12 11.655 6.830 3.236 1.00 49.37 C ATOM 1002 N4 DC C 12 10.409 6.544 2.848 1.00 49.16 N ATOM 1003 C5 DC C 12 12.756 6.102 2.697 1.00 49.23 C ATOM 1004 C6 DC C 12 13.984 6.440 3.114 1.00 49.07 C ATOM 1005 P DG C 13 19.190 7.529 6.782 1.00 58.39 P ATOM 1006 OP1 DG C 13 20.335 8.467 6.923 1.00 62.48 O ATOM 1007 OP2 DG C 13 19.449 6.067 6.663 1.00 56.76 O ATOM 1008 O5' DG C 13 18.172 7.780 7.981 1.00 51.23 O ATOM 1009 C5' DG C 13 17.687 9.094 8.275 1.00 50.98 C ATOM 1010 C4' DG C 13 16.562 9.015 9.281 1.00 52.73 C ATOM 1011 O4' DG C 13 15.316 8.739 8.599 1.00 56.01 O ATOM 1012 C3' DG C 13 16.714 7.931 10.351 1.00 52.95 C ATOM 1013 O3' DG C 13 16.426 8.505 11.629 1.00 54.69 O ATOM 1014 C2' DG C 13 15.653 6.905 9.990 1.00 53.37 C ATOM 1015 C1' DG C 13 14.593 7.757 9.319 1.00 53.93 C ATOM 1016 N9 DG C 13 13.757 7.031 8.368 1.00 51.07 N ATOM 1017 C8 DG C 13 14.173 6.060 7.489 1.00 50.15 C ATOM 1018 N7 DG C 13 13.204 5.581 6.758 1.00 49.89 N ATOM 1019 C5 DG C 13 12.080 6.284 7.171 1.00 48.65 C ATOM 1020 C6 DG C 13 10.731 6.197 6.736 1.00 49.11 C ATOM 1021 O6 DG C 13 10.247 5.460 5.868 1.00 48.20 O ATOM 1022 N1 DG C 13 9.914 7.087 7.427 1.00 48.01 N ATOM 1023 C2 DG C 13 10.336 7.948 8.411 1.00 46.49 C ATOM 1024 N2 DG C 13 9.393 8.728 8.956 1.00 43.63 N ATOM 1025 N3 DG C 13 11.590 8.035 8.828 1.00 44.50 N ATOM 1026 C4 DG C 13 12.403 7.182 8.167 1.00 47.76 C ATOM 1027 P DC C 14 16.583 7.694 13.006 1.00 54.34 P ATOM 1028 OP1 DC C 14 16.992 8.689 14.032 1.00 59.04 O ATOM 1029 OP2 DC C 14 17.436 6.503 12.769 1.00 47.31 O ATOM 1030 O5' DC C 14 15.079 7.287 13.341 1.00 49.50 O ATOM 1031 C5' DC C 14 14.080 8.307 13.517 1.00 49.28 C ATOM 1032 C4' DC C 14 12.708 7.692 13.675 1.00 50.57 C ATOM 1033 O4' DC C 14 12.234 7.172 12.408 1.00 52.03 O ATOM 1034 C3' DC C 14 12.624 6.532 14.671 1.00 49.70 C ATOM 1035 O3' DC C 14 11.525 6.792 15.551 1.00 49.43 O ATOM 1036 C2' DC C 14 12.365 5.317 13.792 1.00 50.38 C ATOM 1037 C1' DC C 14 11.589 5.933 12.645 1.00 49.13 C ATOM 1038 N1 DC C 14 11.589 5.169 11.381 1.00 47.50 N ATOM 1039 C2 DC C 14 10.401 5.094 10.637 1.00 45.20 C ATOM 1040 O2 DC C 14 9.385 5.662 11.067 1.00 43.83 O ATOM 1041 N3 DC C 14 10.395 4.406 9.470 1.00 42.92 N ATOM 1042 C4 DC C 14 11.510 3.808 9.043 1.00 45.37 C ATOM 1043 N4 DC C 14 11.459 3.142 7.885 1.00 44.98 N ATOM 1044 C5 DC C 14 12.732 3.874 9.777 1.00 44.26 C ATOM 1045 C6 DC C 14 12.727 4.562 10.927 1.00 43.69 C ATOM 1046 P DG C 15 10.992 5.690 16.582 1.00 52.17 P ATOM 1047 OP1 DG C 15 9.986 6.288 17.510 1.00 47.28 O ATOM 1048 OP2 DG C 15 12.171 4.950 17.111 1.00 47.14 O ATOM 1049 O5' DG C 15 10.187 4.687 15.643 1.00 52.34 O ATOM 1050 C5' DG C 15 8.805 4.924 15.314 1.00 48.97 C ATOM 1051 C4' DG C 15 8.239 3.706 14.624 1.00 46.58 C ATOM 1052 O4' DG C 15 9.159 3.235 13.609 1.00 44.95 O ATOM 1053 C3' DG C 15 7.990 2.511 15.542 1.00 44.85 C ATOM 1054 O3' DG C 15 6.834 1.871 15.020 1.00 45.14 O ATOM 1055 C2' DG C 15 9.176 1.606 15.269 1.00 44.44 C ATOM 1056 C1' DG C 15 9.376 1.845 13.788 1.00 44.24 C ATOM 1057 N9 DG C 15 10.700 1.528 13.264 1.00 44.06 N ATOM 1058 C8 DG C 15 11.892 1.557 13.945 1.00 43.79 C ATOM 1059 N7 DG C 15 12.916 1.235 13.201 1.00 46.03 N ATOM 1060 C5 DG C 15 12.367 0.979 11.952 1.00 45.95 C ATOM 1061 C6 DG C 15 12.989 0.588 10.736 1.00 47.47 C ATOM 1062 O6 DG C 15 14.188 0.379 10.515 1.00 46.72 O ATOM 1063 N1 DG C 15 12.059 0.442 9.711 1.00 45.42 N ATOM 1064 C2 DG C 15 10.705 0.639 9.838 1.00 46.64 C ATOM 1065 N2 DG C 15 9.973 0.443 8.731 1.00 47.66 N ATOM 1066 N3 DG C 15 10.115 1.011 10.964 1.00 44.26 N ATOM 1067 C4 DG C 15 10.999 1.157 11.974 1.00 45.56 C HETATM 1068 P DUZ C 16 5.722 1.201 15.928 1.00 43.19 P HETATM 1069 N1 DUZ C 16 7.821 -1.981 12.038 1.00 33.37 N HETATM 1070 C2 DUZ C 16 8.613 -2.316 10.909 1.00 34.11 C HETATM 1071 O2 DUZ C 16 8.070 -2.481 9.799 1.00 34.44 O HETATM 1072 N3 DUZ C 16 9.946 -2.478 11.003 1.00 34.49 N HETATM 1073 C4 DUZ C 16 10.578 -2.316 12.175 1.00 33.84 C HETATM 1074 O4 DUZ C 16 11.816 -2.474 12.223 1.00 34.41 O HETATM 1075 C5 DUZ C 16 9.783 -1.961 13.385 1.00 33.36 C HETATM 1076 C6 DUZ C 16 8.409 -1.797 13.235 1.00 33.87 C HETATM 1077 C1' DUZ C 16 6.372 -1.794 11.869 1.00 32.09 C HETATM 1078 C2' DUZ C 16 5.502 -2.626 12.782 1.00 32.21 C HETATM 1079 C21 DUZ C 16 10.403 -1.741 14.737 1.00 34.28 C HETATM 1080 O22 DUZ C 16 9.669 -1.582 15.691 1.00 34.85 O HETATM 1081 N23 DUZ C 16 11.727 -1.682 14.861 1.00 36.39 N HETATM 1082 C24 DUZ C 16 12.549 -1.442 16.046 1.00 38.35 C HETATM 1083 C25 DUZ C 16 12.710 -2.645 16.959 1.00 39.98 C HETATM 1084 C26 DUZ C 16 11.806 -2.854 18.005 1.00 39.72 C HETATM 1085 C27 DUZ C 16 11.959 -3.951 18.854 1.00 40.46 C HETATM 1086 C28 DUZ C 16 13.014 -4.843 18.655 1.00 39.74 C HETATM 1087 C29 DUZ C 16 13.914 -4.636 17.611 1.00 39.50 C HETATM 1088 C3' DUZ C 16 4.237 -1.796 12.910 1.00 33.22 C HETATM 1089 O3' DUZ C 16 3.349 -2.163 11.868 1.00 31.92 O HETATM 1090 C30 DUZ C 16 13.767 -3.533 16.766 1.00 39.25 C HETATM 1091 C4' DUZ C 16 4.637 -0.379 12.567 1.00 33.88 C HETATM 1092 O4' DUZ C 16 6.005 -0.452 12.184 1.00 33.12 O HETATM 1093 C5' DUZ C 16 4.433 0.609 13.702 1.00 36.23 C HETATM 1094 O5' DUZ C 16 5.145 0.149 14.849 1.00 42.84 O HETATM 1095 OP1 DUZ C 16 4.664 2.225 16.221 1.00 46.10 O HETATM 1096 OP2 DUZ C 16 6.425 0.454 17.031 1.00 47.33 O HETATM 1097 P UPE C 17 2.319 -3.351 12.059 1.00 34.10 P HETATM 1098 N1 UPE C 17 7.501 -5.274 9.853 1.00 34.13 N HETATM 1099 C2 UPE C 17 8.729 -5.482 9.181 1.00 34.23 C HETATM 1100 O2 UPE C 17 8.758 -5.510 7.938 1.00 34.91 O HETATM 1101 N3 UPE C 17 9.882 -5.659 9.843 1.00 34.27 N HETATM 1102 C4 UPE C 17 9.918 -5.646 11.179 1.00 35.11 C HETATM 1103 O4 UPE C 17 11.009 -5.810 11.763 1.00 35.55 O HETATM 1104 C5 UPE C 17 8.647 -5.424 11.923 1.00 35.94 C HETATM 1105 C6 UPE C 17 7.479 -5.248 11.187 1.00 35.34 C HETATM 1106 C1' UPE C 17 6.244 -5.068 9.118 1.00 33.25 C HETATM 1107 C2' UPE C 17 5.686 -6.337 8.490 1.00 33.50 C HETATM 1108 C21 UPE C 17 8.539 -5.363 13.423 1.00 36.74 C HETATM 1109 O22 UPE C 17 7.412 -5.212 13.898 1.00 35.69 O HETATM 1110 N23 UPE C 17 9.609 -5.436 14.222 1.00 35.87 N HETATM 1111 C24 UPE C 17 9.450 -5.354 15.675 1.00 37.18 C HETATM 1112 C25 UPE C 17 10.612 -6.081 16.327 1.00 36.56 C HETATM 1113 C26 UPE C 17 10.468 -7.580 16.365 1.00 33.85 C HETATM 1114 C27 UPE C 17 11.609 -8.335 16.683 1.00 33.52 C HETATM 1115 C28 UPE C 17 11.549 -9.727 16.722 1.00 32.73 C HETATM 1116 C29 UPE C 17 10.337 -10.357 16.446 1.00 32.74 C HETATM 1117 C3' UPE C 17 4.188 -6.135 8.505 1.00 32.81 C HETATM 1118 O3' UPE C 17 3.805 -5.607 7.234 1.00 34.42 O HETATM 1119 C30 UPE C 17 9.204 -9.597 16.120 1.00 32.45 C HETATM 1120 C31 UPE C 17 9.259 -8.203 16.086 1.00 31.69 C HETATM 1121 C4' UPE C 17 3.933 -5.048 9.534 1.00 34.11 C HETATM 1122 O4' UPE C 17 5.221 -4.605 9.998 1.00 33.87 O HETATM 1123 C5' UPE C 17 3.022 -5.512 10.672 1.00 32.28 C HETATM 1124 O5' UPE C 17 3.203 -4.682 11.818 1.00 32.43 O HETATM 1125 OP1 UPE C 17 1.279 -3.231 10.965 1.00 33.78 O HETATM 1126 OP2 UPE C 17 1.850 -3.306 13.495 1.00 33.27 O HETATM 1127 P 18Q C 18 2.409 -6.046 6.582 1.00 36.40 P HETATM 1128 N1 18Q C 18 1.875 -11.423 7.476 1.00 41.48 N HETATM 1129 C2 18Q C 18 1.490 -12.734 7.871 1.00 42.83 C HETATM 1130 O2 18Q C 18 1.172 -13.592 7.012 1.00 42.96 O HETATM 1131 N3 18Q C 18 1.466 -13.077 9.168 1.00 42.50 N HETATM 1132 C4 18Q C 18 1.801 -12.199 10.122 1.00 42.23 C HETATM 1133 O4 18Q C 18 1.773 -12.545 11.321 1.00 43.38 O HETATM 1134 C5 18Q C 18 2.205 -10.819 9.734 1.00 40.40 C HETATM 1135 C6 18Q C 18 2.229 -10.500 8.385 1.00 39.79 C HETATM 1136 C1' 18Q C 18 1.904 -11.075 6.052 1.00 38.79 C HETATM 1137 C2' 18Q C 18 0.803 -10.083 5.678 1.00 36.96 C HETATM 1138 C21 18Q C 18 2.610 -9.791 10.751 1.00 36.97 C HETATM 1139 O22 18Q C 18 2.856 -8.655 10.390 1.00 33.82 O HETATM 1140 N23 18Q C 18 2.719 -10.132 12.029 1.00 35.45 N HETATM 1141 C24 18Q C 18 3.128 -9.218 13.082 1.00 31.77 C HETATM 1142 C25 18Q C 18 4.632 -9.295 13.113 1.00 29.35 C HETATM 1143 S26 18Q C 18 5.518 -7.818 12.948 1.00 31.49 S HETATM 1144 C27 18Q C 18 7.079 -8.546 13.053 1.00 28.11 C HETATM 1145 C28 18Q C 18 6.842 -9.910 13.213 1.00 28.45 C HETATM 1146 C29 18Q C 18 5.513 -10.336 13.248 1.00 27.42 C HETATM 1147 C3' 18Q C 18 1.423 -9.389 4.488 1.00 37.34 C HETATM 1148 O3' 18Q C 18 1.194 -10.284 3.397 1.00 40.69 O HETATM 1149 C4' 18Q C 18 2.922 -9.409 4.750 1.00 36.36 C HETATM 1150 O4' 18Q C 18 3.155 -10.476 5.684 1.00 36.10 O HETATM 1151 C5' 18Q C 18 3.468 -8.078 5.262 1.00 34.05 C HETATM 1152 O5' 18Q C 18 2.664 -7.622 6.344 1.00 33.27 O HETATM 1153 OP1 18Q C 18 1.299 -5.848 7.585 1.00 33.70 O HETATM 1154 OP2 18Q C 18 2.292 -5.372 5.234 1.00 39.82 O ATOM 1155 P DA C 19 0.883 -9.802 1.905 1.00 40.12 P ATOM 1156 OP1 DA C 19 0.042 -8.582 1.937 1.00 35.44 O ATOM 1157 OP2 DA C 19 0.385 -11.038 1.244 1.00 41.91 O ATOM 1158 O5' DA C 19 2.341 -9.498 1.339 1.00 37.23 O ATOM 1159 C5' DA C 19 2.878 -8.165 1.292 1.00 35.64 C ATOM 1160 C4' DA C 19 4.357 -8.214 0.985 1.00 35.71 C ATOM 1161 O4' DA C 19 5.058 -8.989 1.980 1.00 35.22 O ATOM 1162 C3' DA C 19 4.745 -8.856 -0.342 1.00 34.96 C ATOM 1163 O3' DA C 19 6.045 -8.376 -0.713 1.00 36.48 O ATOM 1164 C2' DA C 19 4.871 -10.323 0.026 1.00 35.00 C ATOM 1165 C1' DA C 19 5.431 -10.263 1.449 1.00 37.34 C ATOM 1166 N9 DA C 19 4.930 -11.275 2.378 1.00 39.44 N ATOM 1167 C8 DA C 19 3.728 -11.942 2.362 1.00 40.63 C ATOM 1168 N7 DA C 19 3.549 -12.733 3.392 1.00 41.28 N ATOM 1169 C5 DA C 19 4.695 -12.550 4.156 1.00 41.10 C ATOM 1170 C6 DA C 19 5.111 -13.093 5.385 1.00 39.99 C ATOM 1171 N6 DA C 19 4.396 -13.973 6.086 1.00 39.70 N ATOM 1172 N1 DA C 19 6.308 -12.700 5.873 1.00 40.58 N ATOM 1173 C2 DA C 19 7.025 -11.811 5.172 1.00 41.13 C ATOM 1174 N3 DA C 19 6.734 -11.217 4.016 1.00 40.01 N ATOM 1175 C4 DA C 19 5.543 -11.637 3.554 1.00 40.62 C HETATM 1176 P DUZ C 20 6.452 -6.822 -0.729 1.00 35.32 P HETATM 1177 N1 DUZ C 20 10.498 -6.501 4.660 1.00 41.08 N HETATM 1178 C2 DUZ C 20 11.164 -7.226 3.631 1.00 41.49 C HETATM 1179 O2 DUZ C 20 10.660 -7.357 2.497 1.00 42.04 O HETATM 1180 N3 DUZ C 20 12.365 -7.776 3.853 1.00 40.64 N HETATM 1181 C4 DUZ C 20 12.959 -7.665 5.048 1.00 40.14 C HETATM 1182 O4 DUZ C 20 14.080 -8.190 5.215 1.00 40.42 O HETATM 1183 C5 DUZ C 20 12.274 -6.922 6.151 1.00 39.51 C HETATM 1184 C6 DUZ C 20 11.042 -6.364 5.872 1.00 39.72 C HETATM 1185 C1' DUZ C 20 9.196 -5.865 4.481 1.00 40.06 C HETATM 1186 C2' DUZ C 20 9.291 -4.694 3.509 1.00 39.62 C HETATM 1187 C21 DUZ C 20 12.852 -6.733 7.533 1.00 39.37 C HETATM 1188 O22 DUZ C 20 12.142 -6.217 8.397 1.00 37.40 O HETATM 1189 N23 DUZ C 20 14.112 -7.113 7.778 1.00 36.66 N HETATM 1190 C24 DUZ C 20 14.835 -6.996 9.031 1.00 38.09 C HETATM 1191 C25 DUZ C 20 15.224 -8.379 9.491 1.00 40.43 C HETATM 1192 C26 DUZ C 20 15.118 -8.711 10.840 1.00 39.71 C HETATM 1193 C27 DUZ C 20 15.476 -9.988 11.262 1.00 39.86 C HETATM 1194 C28 DUZ C 20 15.943 -10.924 10.340 1.00 40.24 C HETATM 1195 C29 DUZ C 20 16.049 -10.594 8.989 1.00 39.15 C HETATM 1196 C3' DUZ C 20 7.898 -4.668 2.925 1.00 39.66 C HETATM 1197 O3' DUZ C 20 7.051 -3.969 3.816 1.00 39.23 O HETATM 1198 C30 DUZ C 20 15.686 -9.320 8.566 1.00 39.07 C HETATM 1199 C4' DUZ C 20 7.436 -6.108 2.970 1.00 40.15 C HETATM 1200 O4' DUZ C 20 8.228 -6.768 3.958 1.00 40.53 O HETATM 1201 C5' DUZ C 20 7.649 -6.770 1.619 1.00 38.19 C HETATM 1202 O5' DUZ C 20 6.567 -6.360 0.800 1.00 39.29 O HETATM 1203 OP1 DUZ C 20 7.832 -6.732 -1.339 1.00 36.34 O HETATM 1204 OP2 DUZ C 20 5.286 -6.039 -1.269 1.00 38.96 O HETATM 1205 P A2M C 21 6.272 -2.674 3.330 1.00 39.43 P HETATM 1206 OP1 A2M C 21 5.301 -3.132 2.261 1.00 42.24 O HETATM 1207 O5' A2M C 21 5.465 -2.231 4.646 1.00 36.72 O HETATM 1208 C5' A2M C 21 4.351 -2.981 5.118 1.00 36.75 C HETATM 1209 C4' A2M C 21 3.662 -2.299 6.302 1.00 37.90 C HETATM 1210 O4' A2M C 21 4.548 -2.099 7.411 1.00 38.07 O HETATM 1211 C3' A2M C 21 3.162 -0.884 6.030 1.00 37.82 C HETATM 1212 O3' A2M C 21 1.959 -0.891 5.271 1.00 36.19 O HETATM 1213 C2' A2M C 21 2.974 -0.281 7.413 1.00 36.94 C HETATM 1214 O2' A2M C 21 1.696 -0.677 7.902 1.00 38.34 O HETATM 1215 C1' A2M C 21 4.038 -1.004 8.212 1.00 36.84 C HETATM 1216 CM' A2M C 21 1.291 -0.093 9.144 1.00 38.47 C HETATM 1217 N9 A2M C 21 5.145 -0.143 8.718 1.00 35.77 N HETATM 1218 C8 A2M C 21 6.457 -0.348 8.468 1.00 34.89 C HETATM 1219 N7 A2M C 21 7.227 0.581 9.095 1.00 35.58 N HETATM 1220 C5 A2M C 21 6.397 1.403 9.776 1.00 34.87 C HETATM 1221 C6 A2M C 21 6.542 2.578 10.670 1.00 34.87 C HETATM 1222 N6 A2M C 21 7.755 3.103 10.957 1.00 35.84 N HETATM 1223 N1 A2M C 21 5.420 3.144 11.167 1.00 36.63 N HETATM 1224 C2 A2M C 21 4.192 2.662 10.889 1.00 35.33 C HETATM 1225 N3 A2M C 21 4.002 1.591 10.103 1.00 35.32 N HETATM 1226 C4 A2M C 21 5.030 0.927 9.522 1.00 34.58 C HETATM 1227 OP2 A2M C 21 7.286 -1.612 3.012 1.00 38.50 O ATOM 1228 P DG C 22 1.697 0.251 4.180 1.00 36.10 P ATOM 1229 OP1 DG C 22 0.404 -0.083 3.519 1.00 40.12 O ATOM 1230 OP2 DG C 22 2.915 0.486 3.364 1.00 34.90 O ATOM 1231 O5' DG C 22 1.484 1.615 4.969 1.00 36.68 O ATOM 1232 C5' DG C 22 0.431 1.797 5.924 1.00 37.52 C ATOM 1233 C4' DG C 22 0.630 3.118 6.626 1.00 38.38 C ATOM 1234 O4' DG C 22 1.913 3.116 7.300 1.00 40.93 O ATOM 1235 C3' DG C 22 0.638 4.340 5.710 1.00 40.70 C ATOM 1236 O3' DG C 22 -0.020 5.418 6.378 1.00 44.11 O ATOM 1237 C2' DG C 22 2.115 4.629 5.510 1.00 39.42 C ATOM 1238 C1' DG C 22 2.755 4.145 6.802 1.00 38.75 C ATOM 1239 N9 DG C 22 4.087 3.576 6.610 1.00 39.02 N ATOM 1240 C8 DG C 22 4.427 2.572 5.735 1.00 40.17 C ATOM 1241 N7 DG C 22 5.697 2.272 5.767 1.00 39.45 N ATOM 1242 C5 DG C 22 6.229 3.129 6.721 1.00 39.43 C ATOM 1243 C6 DG C 22 7.562 3.272 7.185 1.00 39.20 C ATOM 1244 O6 DG C 22 8.572 2.648 6.833 1.00 39.24 O ATOM 1245 N1 DG C 22 7.666 4.277 8.142 1.00 38.37 N ATOM 1246 C2 DG C 22 6.621 5.038 8.605 1.00 39.42 C ATOM 1247 N2 DG C 22 6.923 5.943 9.546 1.00 37.50 N ATOM 1248 N3 DG C 22 5.372 4.915 8.181 1.00 39.65 N ATOM 1249 C4 DG C 22 5.249 3.945 7.247 1.00 38.89 C ATOM 1250 P DC C 23 -0.166 6.890 5.783 1.00 46.19 P ATOM 1251 OP1 DC C 23 -1.536 7.344 6.141 1.00 46.53 O ATOM 1252 OP2 DC C 23 0.302 6.958 4.381 1.00 47.50 O ATOM 1253 O5' DC C 23 0.890 7.730 6.626 1.00 48.40 O ATOM 1254 C5' DC C 23 0.733 7.904 8.043 1.00 45.78 C ATOM 1255 C4' DC C 23 1.772 8.877 8.543 1.00 45.90 C ATOM 1256 O4' DC C 23 3.081 8.279 8.421 1.00 44.59 O ATOM 1257 C3' DC C 23 1.830 10.201 7.780 1.00 48.74 C ATOM 1258 O3' DC C 23 1.909 11.268 8.728 1.00 51.00 O ATOM 1259 C2' DC C 23 3.078 10.079 6.917 1.00 47.33 C ATOM 1260 C1' DC C 23 3.963 9.130 7.708 1.00 45.56 C ATOM 1261 N1 DC C 23 4.858 8.269 6.910 1.00 45.44 N ATOM 1262 C2 DC C 23 6.231 8.274 7.187 1.00 44.30 C ATOM 1263 O2 DC C 23 6.665 9.034 8.064 1.00 44.53 O ATOM 1264 N3 DC C 23 7.050 7.458 6.485 1.00 44.74 N ATOM 1265 C4 DC C 23 6.546 6.652 5.548 1.00 45.09 C ATOM 1266 N4 DC C 23 7.393 5.864 4.880 1.00 43.79 N ATOM 1267 C5 DC C 23 5.150 6.619 5.252 1.00 43.79 C ATOM 1268 C6 DC C 23 4.349 7.428 5.959 1.00 44.00 C HETATM 1269 P 18M C 24 1.660 12.791 8.324 1.00 56.82 P HETATM 1270 O5' 18M C 24 3.152 13.288 7.995 1.00 51.50 O HETATM 1271 C5' 18M C 24 3.994 13.729 9.045 1.00 51.85 C HETATM 1272 C4' 18M C 24 5.410 13.931 8.524 1.00 54.41 C HETATM 1273 O4' 18M C 24 5.887 12.750 7.878 1.00 53.51 O HETATM 1274 C3' 18M C 24 5.530 15.061 7.510 1.00 59.33 C HETATM 1275 O3' 18M C 24 6.643 15.883 7.891 1.00 65.48 O HETATM 1276 C2' 18M C 24 5.895 14.373 6.206 1.00 57.30 C HETATM 1277 O2' 18M C 24 6.636 15.249 5.326 1.00 61.81 O HETATM 1278 C1' 18M C 24 6.631 13.136 6.719 1.00 54.08 C HETATM 1279 N9 18M C 24 6.743 12.000 5.769 1.00 50.79 N HETATM 1280 C8 18M C 24 5.777 11.516 4.963 1.00 49.76 C HETATM 1281 N7 18M C 24 6.234 10.463 4.243 1.00 49.20 N HETATM 1282 C5 18M C 24 7.509 10.253 4.597 1.00 47.60 C HETATM 1283 C6 18M C 24 8.573 9.295 4.224 1.00 50.19 C HETATM 1284 O6 18M C 24 8.388 8.390 3.374 1.00 51.85 O HETATM 1285 N1 18M C 24 9.762 9.425 4.825 1.00 52.51 N HETATM 1286 C2 18M C 24 10.015 10.368 5.748 1.00 50.06 C HETATM 1287 N2 18M C 24 11.260 10.384 6.284 1.00 48.14 N HETATM 1288 N3 18M C 24 9.081 11.277 6.140 1.00 45.92 N HETATM 1289 C4 18M C 24 7.841 11.265 5.606 1.00 47.59 C HETATM 1290 P1 18M C 24 6.543 17.144 8.875 1.00 72.04 P HETATM 1291 O11 18M C 24 7.303 16.808 10.109 1.00 67.65 O HETATM 1292 O12 18M C 24 7.364 18.241 8.058 1.00 65.41 O HETATM 1293 O13 18M C 24 5.113 17.560 8.980 1.00 65.47 O HETATM 1294 CM2 18M C 24 8.073 15.283 5.394 1.00 61.38 C HETATM 1295 OP1 18M C 24 1.178 13.522 9.554 1.00 56.49 O HETATM 1296 OP2 18M C 24 0.815 12.811 7.067 1.00 55.96 O TER 1297 18M C 24 HETATM 1298 NA NA C 101 9.362 1.002 5.287 1.00 44.14 NA HETATM 1299 MG MG C 102 6.616 7.165 0.269 0.50 30.58 MG HETATM 1300 O HOH A 201 7.565 0.782 56.861 1.00 44.77 O HETATM 1301 O HOH A 202 0.547 -5.732 34.324 1.00 42.25 O HETATM 1302 O HOH A 203 4.021 -3.976 53.038 1.00 35.35 O HETATM 1303 O HOH A 204 2.984 -17.160 33.134 1.00 35.58 O HETATM 1304 O HOH A 205 -7.046 -16.208 48.912 1.00 38.07 O HETATM 1305 O HOH A 206 8.541 -1.698 56.245 1.00 35.12 O HETATM 1306 O HOH A 207 6.570 -3.568 53.765 1.00 45.56 O HETATM 1307 O HOH A 208 8.910 -1.066 53.515 1.00 35.74 O HETATM 1308 O HOH A 209 -3.984 -10.610 46.800 1.00 42.85 O HETATM 1309 O HOH A 210 -4.600 -13.269 47.939 1.00 45.51 O HETATM 1310 O HOH A 211 10.027 -9.498 38.883 1.00 34.58 O HETATM 1311 O HOH A 212 12.242 -18.388 29.391 1.00 46.37 O HETATM 1312 O HOH A 213 2.204 -20.636 25.984 1.00 46.88 O HETATM 1313 O HOH A 214 13.810 -23.044 20.688 1.00 41.42 O HETATM 1314 O HOH A 215 -2.669 -9.524 34.750 1.00 32.99 O HETATM 1315 O HOH A 216 -12.356 -19.706 43.880 1.00 71.69 O HETATM 1316 O HOH A 217 1.219 -16.468 12.226 1.00 42.96 O HETATM 1317 O HOH A 218 0.723 -19.796 18.819 1.00 54.78 O HETATM 1318 O HOH A 219 2.558 -20.425 39.690 1.00 54.03 O HETATM 1319 O HOH A 220 -0.450 -7.445 11.622 1.00 49.05 O HETATM 1320 O HOH A 221 9.871 -7.333 39.747 1.00 34.38 O HETATM 1321 O HOH A 222 8.291 -14.874 36.701 1.00 44.16 O HETATM 1322 O HOH A 223 1.454 -23.046 30.881 1.00 51.96 O HETATM 1323 O HOH A 224 10.625 -15.561 33.785 1.00 48.37 O HETATM 1324 O HOH A 225 16.520 -24.436 13.869 1.00 50.99 O HETATM 1325 O HOH A 226 8.207 -13.388 48.788 1.00 47.39 O HETATM 1326 O HOH A 227 7.407 -16.035 48.663 1.00 46.06 O HETATM 1327 O HOH A 228 10.141 -15.026 50.702 1.00 46.28 O HETATM 1328 O HOH A 229 8.282 -21.768 48.271 1.00 58.27 O HETATM 1329 O HOH A 230 2.585 -5.775 52.039 1.00 41.24 O HETATM 1330 O HOH A 231 -3.594 -8.690 41.548 1.00 46.66 O HETATM 1331 O HOH A 232 0.937 -5.320 44.921 1.00 45.86 O HETATM 1332 O HOH A 233 6.652 -18.063 27.888 1.00 54.07 O HETATM 1333 O HOH A 234 4.894 -10.914 43.396 1.00 47.41 O HETATM 1334 O HOH A 235 7.637 -19.300 55.120 1.00 50.54 O HETATM 1335 O HOH A 236 -7.491 -18.608 54.250 1.00 45.02 O HETATM 1336 O HOH A 237 10.241 -12.133 40.328 1.00 48.41 O HETATM 1337 O HOH C 201 5.799 7.917 2.146 0.50 30.01 O HETATM 1338 O HOH C 202 7.435 6.424 -1.611 0.50 29.76 O HETATM 1339 O HOH C 203 7.624 5.529 1.296 0.50 29.35 O HETATM 1340 O HOH C 204 5.584 8.776 -0.767 0.50 30.64 O HETATM 1341 O HOH C 205 4.885 5.883 0.035 0.50 28.45 O HETATM 1342 O HOH C 206 8.360 8.442 0.505 0.50 29.33 O HETATM 1343 O HOH C 207 8.818 -9.709 3.428 1.00 49.51 O HETATM 1344 O HOH C 208 0.815 -15.614 9.569 1.00 54.05 O HETATM 1345 O HOH C 209 7.438 0.307 0.392 1.00 39.43 O HETATM 1346 O HOH C 210 10.435 3.171 4.387 1.00 52.92 O HETATM 1347 O HOH C 211 9.196 -1.274 5.174 1.00 44.25 O HETATM 1348 O HOH C 212 0.167 -4.094 8.744 1.00 34.84 O HETATM 1349 O HOH C 213 5.439 5.312 12.999 1.00 42.96 O HETATM 1350 O HOH C 214 19.782 -12.982 8.973 1.00 50.46 O HETATM 1351 O HOH C 215 14.465 -2.791 13.565 1.00 41.36 O HETATM 1352 O HOH C 216 6.965 3.772 3.084 1.00 39.48 O HETATM 1353 O HOH C 217 11.783 1.822 17.487 1.00 43.57 O HETATM 1354 O HOH C 218 21.090 -13.538 19.405 1.00 40.81 O HETATM 1355 O HOH C 219 6.970 -2.070 -0.443 1.00 42.42 O HETATM 1356 O HOH C 220 9.205 -1.909 -2.735 1.00 48.03 O HETATM 1357 O HOH C 221 13.284 -5.165 13.241 1.00 47.63 O CONECT 67 415 CONECT 343 711 CONECT 365 726 CONECT 415 67 CONECT 711 343 CONECT 726 365 CONECT 744 745 751 752 CONECT 745 744 746 747 CONECT 746 745 CONECT 747 745 748 CONECT 748 747 749 750 CONECT 749 748 CONECT 750 748 751 754 CONECT 751 744 750 CONECT 752 744 753 767 CONECT 753 752 763 CONECT 754 750 755 756 CONECT 755 754 CONECT 756 754 757 CONECT 757 756 758 CONECT 758 757 759 765 CONECT 759 758 760 CONECT 760 759 761 CONECT 761 760 762 CONECT 762 761 765 CONECT 763 753 764 766 CONECT 764 763 CONECT 765 758 762 CONECT 766 763 767 768 CONECT 767 752 766 CONECT 768 766 769 CONECT 769 768 CONECT 770 796 797 798 CONECT 771 772 778 779 CONECT 772 771 773 774 CONECT 773 772 CONECT 774 772 775 CONECT 775 774 776 777 CONECT 776 775 CONECT 777 775 778 781 CONECT 778 771 777 CONECT 779 771 780 794 CONECT 780 779 790 CONECT 781 777 782 783 CONECT 782 781 CONECT 783 781 784 CONECT 784 783 785 CONECT 785 784 786 792 CONECT 786 785 787 CONECT 787 786 788 CONECT 788 787 789 CONECT 789 788 792 CONECT 790 780 791 793 CONECT 791 790 CONECT 792 785 789 CONECT 793 790 794 795 CONECT 794 779 793 CONECT 795 793 796 CONECT 796 770 795 CONECT 797 770 CONECT 798 770 CONECT 799 800 801 821 CONECT 800 799 CONECT 801 799 802 CONECT 802 801 803 CONECT 803 802 804 805 CONECT 804 803 809 CONECT 805 803 806 807 CONECT 806 805 CONECT 807 805 808 809 CONECT 808 807 810 CONECT 809 804 807 811 CONECT 810 808 CONECT 811 809 812 820 CONECT 812 811 813 CONECT 813 812 814 CONECT 814 813 815 820 CONECT 815 814 816 817 CONECT 816 815 CONECT 817 815 818 CONECT 818 817 819 CONECT 819 818 820 CONECT 820 811 814 819 CONECT 821 799 CONECT 830 842 CONECT 841 842 CONECT 842 830 841 843 844 CONECT 843 842 CONECT 844 842 CONECT 845 846 CONECT 846 845 CONECT 854 868 CONECT 868 854 894 895 896 CONECT 869 870 876 877 CONECT 870 869 871 872 CONECT 871 870 CONECT 872 870 873 CONECT 873 872 874 875 CONECT 874 873 CONECT 875 873 876 879 CONECT 876 869 875 CONECT 877 869 878 892 CONECT 878 877 888 CONECT 879 875 880 881 CONECT 880 879 CONECT 881 879 882 CONECT 882 881 883 CONECT 883 882 884 890 CONECT 884 883 885 CONECT 885 884 886 CONECT 886 885 887 CONECT 887 886 890 CONECT 888 878 889 891 CONECT 889 888 CONECT 890 883 887 CONECT 891 888 892 893 CONECT 892 877 891 CONECT 893 891 894 CONECT 894 868 893 CONECT 895 868 CONECT 896 868 CONECT 897 920 921 922 CONECT 898 899 905 906 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 902 CONECT 902 901 903 904 CONECT 903 902 CONECT 904 902 905 908 CONECT 905 898 904 CONECT 906 898 907 918 CONECT 907 906 915 CONECT 908 904 909 910 CONECT 909 908 CONECT 910 908 911 CONECT 911 910 912 CONECT 912 911 913 914 CONECT 913 912 CONECT 914 912 CONECT 915 907 916 917 CONECT 916 915 CONECT 917 915 918 919 CONECT 918 906 917 CONECT 919 917 920 CONECT 920 897 919 CONECT 921 897 CONECT 922 897 CONECT 950 1298 CONECT 952 963 CONECT 957 1298 CONECT 963 952 964 965 985 CONECT 964 963 CONECT 965 963 966 CONECT 966 965 967 CONECT 967 966 968 969 CONECT 968 967 973 CONECT 969 967 970 971 CONECT 970 969 CONECT 971 969 972 973 CONECT 972 971 974 CONECT 973 968 971 975 CONECT 974 972 CONECT 975 973 976 984 CONECT 976 975 977 CONECT 977 976 978 CONECT 978 977 979 984 CONECT 979 978 980 981 CONECT 980 979 CONECT 981 979 982 CONECT 982 981 983 CONECT 983 982 984 CONECT 984 975 978 983 CONECT 985 963 CONECT 1054 1068 CONECT 1068 1054 1094 1095 1096 CONECT 1069 1070 1076 1077 CONECT 1070 1069 1071 1072 CONECT 1071 1070 CONECT 1072 1070 1073 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1079 CONECT 1076 1069 1075 CONECT 1077 1069 1078 1092 CONECT 1078 1077 1088 CONECT 1079 1075 1080 1081 CONECT 1080 1079 CONECT 1081 1079 1082 CONECT 1082 1081 1083 CONECT 1083 1082 1084 1090 CONECT 1084 1083 1085 CONECT 1085 1084 1086 CONECT 1086 1085 1087 CONECT 1087 1086 1090 CONECT 1088 1078 1089 1091 CONECT 1089 1088 CONECT 1090 1083 1087 CONECT 1091 1088 1092 1093 CONECT 1092 1077 1091 CONECT 1093 1091 1094 CONECT 1094 1068 1093 CONECT 1095 1068 CONECT 1096 1068 CONECT 1097 1124 1125 1126 CONECT 1098 1099 1105 1106 CONECT 1099 1098 1100 1101 CONECT 1100 1099 CONECT 1101 1099 1102 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 1105 1108 CONECT 1105 1098 1104 CONECT 1106 1098 1107 1122 CONECT 1107 1106 1117 CONECT 1108 1104 1109 1110 CONECT 1109 1108 CONECT 1110 1108 1111 CONECT 1111 1110 1112 CONECT 1112 1111 1113 CONECT 1113 1112 1114 1120 CONECT 1114 1113 1115 CONECT 1115 1114 1116 CONECT 1116 1115 1119 CONECT 1117 1107 1118 1121 CONECT 1118 1117 CONECT 1119 1116 1120 CONECT 1120 1113 1119 CONECT 1121 1117 1122 1123 CONECT 1122 1106 1121 CONECT 1123 1121 1124 CONECT 1124 1097 1123 CONECT 1125 1097 CONECT 1126 1097 CONECT 1127 1152 1153 1154 CONECT 1128 1129 1135 1136 CONECT 1129 1128 1130 1131 CONECT 1130 1129 CONECT 1131 1129 1132 CONECT 1132 1131 1133 1134 CONECT 1133 1132 CONECT 1134 1132 1135 1138 CONECT 1135 1128 1134 CONECT 1136 1128 1137 1150 CONECT 1137 1136 1147 CONECT 1138 1134 1139 1140 CONECT 1139 1138 CONECT 1140 1138 1141 CONECT 1141 1140 1142 CONECT 1142 1141 1143 1146 CONECT 1143 1142 1144 CONECT 1144 1143 1145 CONECT 1145 1144 1146 CONECT 1146 1142 1145 CONECT 1147 1137 1148 1149 CONECT 1148 1147 CONECT 1149 1147 1150 1151 CONECT 1150 1136 1149 CONECT 1151 1149 1152 CONECT 1152 1127 1151 CONECT 1153 1127 CONECT 1154 1127 CONECT 1163 1176 CONECT 1176 1163 1202 1203 1204 CONECT 1177 1178 1184 1185 CONECT 1178 1177 1179 1180 CONECT 1179 1178 CONECT 1180 1178 1181 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 1184 1187 CONECT 1184 1177 1183 CONECT 1185 1177 1186 1200 CONECT 1186 1185 1196 CONECT 1187 1183 1188 1189 CONECT 1188 1187 CONECT 1189 1187 1190 CONECT 1190 1189 1191 CONECT 1191 1190 1192 1198 CONECT 1192 1191 1193 CONECT 1193 1192 1194 CONECT 1194 1193 1195 CONECT 1195 1194 1198 CONECT 1196 1186 1197 1199 CONECT 1197 1196 CONECT 1198 1191 1195 CONECT 1199 1196 1200 1201 CONECT 1200 1185 1199 CONECT 1201 1199 1202 CONECT 1202 1176 1201 CONECT 1203 1176 CONECT 1204 1176 CONECT 1205 1206 1207 1227 CONECT 1206 1205 CONECT 1207 1205 1208 CONECT 1208 1207 1209 CONECT 1209 1208 1210 1211 CONECT 1210 1209 1215 CONECT 1211 1209 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1215 CONECT 1214 1213 1216 CONECT 1215 1210 1213 1217 CONECT 1216 1214 CONECT 1217 1215 1218 1226 CONECT 1218 1217 1219 CONECT 1219 1218 1220 CONECT 1220 1219 1221 1226 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 CONECT 1224 1223 1225 CONECT 1225 1224 1226 CONECT 1226 1217 1220 1225 CONECT 1227 1205 CONECT 1244 1298 CONECT 1269 1270 1295 1296 CONECT 1270 1269 1271 CONECT 1271 1270 1272 CONECT 1272 1271 1273 1274 CONECT 1273 1272 1278 CONECT 1274 1272 1275 1276 CONECT 1275 1274 1290 CONECT 1276 1274 1277 1278 CONECT 1277 1276 1294 CONECT 1278 1273 1276 1279 CONECT 1279 1278 1280 1289 CONECT 1280 1279 1281 CONECT 1281 1280 1282 CONECT 1282 1281 1283 1289 CONECT 1283 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 1286 CONECT 1286 1285 1287 1288 CONECT 1287 1286 CONECT 1288 1286 1289 CONECT 1289 1279 1282 1288 CONECT 1290 1275 1291 1292 1293 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1290 CONECT 1294 1277 CONECT 1295 1269 CONECT 1296 1269 CONECT 1298 950 957 1244 1346 CONECT 1298 1347 CONECT 1299 1337 1338 1339 1340 CONECT 1299 1341 1342 CONECT 1337 1299 CONECT 1338 1299 CONECT 1339 1299 CONECT 1340 1299 CONECT 1341 1299 CONECT 1342 1299 CONECT 1346 1298 CONECT 1347 1298 MASTER 340 0 15 1 5 0 4 6 1351 2 355 10 END
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Related entries of code: 4hqx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4hqu
RCSB PDB
PDBbind
24aa, >4HQU_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4hqx
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
human Platelet-derived growth factor subunit B, PDGF-BB
Ligand Name
Modified nucleotide aptamer (SOMAmer SL4)
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Proc.Natl.Acad.Sci.USA Vol. 109: pp. 19971-19976
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01127
Entrez Gene ID
NCBI Entrez Gene ID:
5155
ASD
Information of known allosteric effects of PDB entries
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