Browse entries in the PDBbind-CN Database
HEADER DNA/RNA BINDING PROTEIN 09-MAY-08 3D2W TITLE CRYSTAL STRUCTURE OF MOUSE TDP-43 RRM2 DOMAIN IN COMPLEX WITH DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: TAR DNA-BINDING PROTEIN 43; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RRM2 MOTIF, UNP RESIDUES 192-265; COMPND 5 SYNONYM: TDP-43, RRM2 DOMAIN OF MOUSE TDP-43; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*DGP*DTP*DTP*DGP*DAP*DGP*DCP*DGP*DTP*DT)-3'); COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: TARDBP, TDP43; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: M15; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PQE30; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 OTHER_DETAILS: NUCLEOTIDE SYNTHESIS KEYWDS DP-43 PROTEINOPATHY, TDP-43 INCLUSIONS, RNA RECOGNITION MOTIF, FTLD- KEYWDS 2 U, ALS, RRM, DNA-RNA BINDING PROTEIN COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR P.H.KUO,H.S.YUAN REVDAT 4 12-MAY-10 3D2W 1 REMARK REVDAT 3 14-APR-10 3D2W 1 REMARK REVDAT 2 21-APR-09 3D2W 1 JRNL REVDAT 1 07-APR-09 3D2W 0 JRNL AUTH P.H.KUO,L.G.DOUDEVA,Y.T.WANG,C.K.SHEN,H.S.YUAN JRNL TITL STRUCTURAL INSIGHTS INTO TDP-43 IN NUCLEIC-ACID BINDING AND JRNL TITL 2 DOMAIN INTERACTIONS JRNL REF NUCLEIC ACIDS RES. V. 37 1799 2009 JRNL REFN ISSN 0305-1048 JRNL PMID 19174564 JRNL DOI 10.1093/NAR/GKP013 REMARK 2 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 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) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.46 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 12633 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) : 0.210 REMARK 3 R VALUE (WORKING SET) : 0.207 REMARK 3 FREE R VALUE : 0.245 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.600 REMARK 3 FREE R VALUE TEST SET COUNT : 1041 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) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.69 REMARK 3 REFLECTION IN BIN (WORKING SET) : 892 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.99 REMARK 3 BIN R VALUE (WORKING SET) : 0.2470 REMARK 3 BIN FREE R VALUE SET COUNT : 66 REMARK 3 BIN FREE R VALUE : 0.2970 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 561 REMARK 3 NUCLEIC ACID ATOMS : 186 REMARK 3 HETEROGEN ATOMS : 5 REMARK 3 SOLVENT ATOMS : 116 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 28.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.14 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.04000 REMARK 3 B22 (A**2) : -0.03000 REMARK 3 B33 (A**2) : 0.07000 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): 0.109 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.109 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.067 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.912 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.949 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.931 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 783 ; 0.009 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1095 ; 1.257 ; 2.253 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 71 ; 4.855 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 28 ;37.762 ;25.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 95 ;14.735 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 2 ;21.406 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 122 ; 0.076 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 528 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 331 ; 0.187 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 517 ; 0.309 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 69 ; 0.132 ; 0.200 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): 65 ; 0.183 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 39 ; 0.152 ; 0.200 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): 363 ; 0.839 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 574 ; 1.484 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 527 ; 1.676 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 521 ; 2.567 ; 4.500 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 ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3D2W COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-MAY-08. REMARK 100 THE RCSB ID CODE IS RCSB047523. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-JAN-08 REMARK 200 TEMPERATURE (KELVIN) : 123 REMARK 200 PH : 4.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSRRC REMARK 200 BEAMLINE : BL13C1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13854 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 REMARK 200 RESOLUTION RANGE LOW (A) : 25.460 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 4.700 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : 0.05800 REMARK 200
FOR THE DATA SET : 14.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.71 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.50 REMARK 200 R MERGE FOR SHELL (I) : 0.32000 REMARK 200 R SYM FOR SHELL (I) : 0.32000 REMARK 200
FOR SHELL : 3.510 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CCP4 REMARK 200 STARTING MODEL: PDB ENTRY 1WF0 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.54 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: RESERVOIR SOLUTION CONTAINING 2M (NH4) REMARK 280 2SO4, 0.1M PHOSPHATE-CITRATE, THE RESERVOIR SOLUTION CONTAINED AN REMARK 280 ADDITION OF 10% GLYCEROL, PH4.2, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X,Y+1/2,Z+1/2 REMARK 290 6555 -X,-Y+1/2,Z+1/2 REMARK 290 7555 -X,Y+1/2,-Z+1/2 REMARK 290 8555 X,-Y+1/2,-Z+1/2 REMARK 290 9555 X+1/2,Y,Z+1/2 REMARK 290 10555 -X+1/2,-Y,Z+1/2 REMARK 290 11555 -X+1/2,Y,-Z+1/2 REMARK 290 12555 X+1/2,-Y,-Z+1/2 REMARK 290 13555 X+1/2,Y+1/2,Z REMARK 290 14555 -X+1/2,-Y+1/2,Z REMARK 290 15555 -X+1/2,Y+1/2,-Z REMARK 290 16555 X+1/2,-Y+1/2,-Z 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 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 43.64500 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 62.67250 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 43.64500 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 62.67250 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 43.64500 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 62.67250 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 43.64500 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 62.67250 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 62.67250 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 62.67250 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 62.67250 REMARK 290 SMTRY1 12 1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 62.67250 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 43.64500 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 43.64500 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 43.64500 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 20.64150 REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 43.64500 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 APPLY THE FOLLOWING TO CHAINS: A, B 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 -1.000000 0.000000 0.000000 20.64150 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 62.67250 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: OCTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 -1.000000 0.000000 0.000000 41.28300 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 3 1.000000 0.000000 0.000000 -20.64150 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 62.67250 REMARK 350 BIOMT1 4 -1.000000 0.000000 0.000000 20.64150 REMARK 350 BIOMT2 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 62.67250 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 27 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 72 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 105 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 94 LIES ON A SPECIAL POSITION. 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 MET A 180 REMARK 465 ARG A 181 REMARK 465 GLY A 182 REMARK 465 SER A 183 REMARK 465 HIS A 184 REMARK 465 HIS A 185 REMARK 465 HIS A 186 REMARK 465 HIS A 187 REMARK 465 HIS A 188 REMARK 465 HIS A 189 REMARK 465 PRO A 262 REMARK 465 LYS A 263 REMARK 465 HIS A 264 REMARK 465 ASN A 265 REMARK 465 LYS A 266 REMARK 465 LEU A 267 REMARK 465 ASN A 268 REMARK 465 DG B 1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA B 5 O4' - C1' - N9 ANGL. DEV. = -4.3 DEGREES REMARK 500 DG B 8 O4' - C1' - N9 ANGL. DEV. = 4.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 11 DBREF 3D2W A 192 265 UNP Q921F2 TADBP_MOUSE 192 265 DBREF 3D2W B 1 10 PDB 3D2W 3D2W 1 10 SEQADV 3D2W MET A 180 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W ARG A 181 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W GLY A 182 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W SER A 183 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 184 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 185 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 186 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 187 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 188 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W HIS A 189 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W GLY A 190 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W SER A 191 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W LYS A 266 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W LEU A 267 UNP Q921F2 EXPRESSION TAG SEQADV 3D2W ASN A 268 UNP Q921F2 EXPRESSION TAG SEQRES 1 A 89 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER LYS SEQRES 2 A 89 VAL PHE VAL GLY ARG CYS THR GLU ASP MET THR ALA GLU SEQRES 3 A 89 GLU LEU GLN GLN PHE PHE CYS GLN TYR GLY GLU VAL VAL SEQRES 4 A 89 ASP VAL PHE ILE PRO LYS PRO PHE ARG ALA PHE ALA PHE SEQRES 5 A 89 VAL THR PHE ALA ASP ASP LYS VAL ALA GLN SER LEU CYS SEQRES 6 A 89 GLY GLU ASP LEU ILE ILE LYS GLY ILE SER VAL HIS ILE SEQRES 7 A 89 SER ASN ALA GLU PRO LYS HIS ASN LYS LEU ASN SEQRES 1 B 10 DG DT DT DG DA DG DC DG DT DT HET PO4 B 11 5 HETNAM PO4 PHOSPHATE ION FORMUL 3 PO4 O4 P 3- FORMUL 4 HOH *116(H2 O) HELIX 1 1 THR A 203 CYS A 212 1 10 HELIX 2 2 ASP A 236 CYS A 244 1 9 SHEET 1 A 5 VAL A 217 PHE A 221 0 SHEET 2 A 5 PHE A 229 PHE A 234 -1 O THR A 233 N VAL A 218 SHEET 3 A 5 LYS A 192 GLY A 196 -1 N VAL A 195 O ALA A 230 SHEET 4 A 5 ILE A 253 ASN A 259 -1 O SER A 258 N PHE A 194 SHEET 5 A 5 ASP A 247 ILE A 250 -1 N LEU A 248 O VAL A 255 CISPEP 1 LYS A 224 PRO A 225 0 1.60 SITE 1 AC1 6 GLY A 245 HIS A 256 SER A 258 DT B 2 SITE 2 AC1 6 HOH B 93 HOH B 94 CRYST1 41.283 87.290 125.345 90.00 90.00 90.00 F 2 2 2 16 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 0.024223 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011456 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007978 0.00000 ATOM 1 N GLY A 190 7.402 7.163 12.588 1.00 29.19 N ATOM 2 CA GLY A 190 8.241 8.196 13.252 1.00 27.95 C ATOM 3 C GLY A 190 8.778 7.692 14.578 1.00 27.05 C ATOM 4 O GLY A 190 8.209 7.964 15.641 1.00 28.12 O ATOM 5 N SER A 191 9.879 6.949 14.529 1.00 25.51 N ATOM 6 CA SER A 191 10.414 6.351 15.748 1.00 23.73 C ATOM 7 C SER A 191 11.741 6.975 16.173 1.00 22.25 C ATOM 8 O SER A 191 12.466 6.402 16.977 1.00 21.41 O ATOM 9 CB SER A 191 10.543 4.836 15.613 1.00 24.05 C ATOM 10 OG SER A 191 11.588 4.496 14.734 1.00 26.86 O ATOM 11 N LYS A 192 12.036 8.151 15.634 1.00 20.59 N ATOM 12 CA LYS A 192 13.250 8.882 16.000 1.00 19.36 C ATOM 13 C LYS A 192 12.895 10.160 16.734 1.00 18.53 C ATOM 14 O LYS A 192 11.984 10.889 16.328 1.00 17.66 O ATOM 15 CB LYS A 192 14.079 9.208 14.759 1.00 19.96 C ATOM 16 CG LYS A 192 15.503 9.688 15.082 1.00 21.27 C ATOM 17 CD LYS A 192 16.237 10.197 13.866 1.00 26.30 C ATOM 18 CE LYS A 192 16.909 9.088 13.093 1.00 28.08 C ATOM 19 NZ LYS A 192 17.912 9.650 12.145 1.00 28.55 N ATOM 20 N VAL A 193 13.598 10.421 17.833 1.00 16.39 N ATOM 21 CA VAL A 193 13.405 11.682 18.555 1.00 15.66 C ATOM 22 C VAL A 193 14.658 12.546 18.488 1.00 14.68 C ATOM 23 O VAL A 193 15.779 12.032 18.386 1.00 14.45 O ATOM 24 CB VAL A 193 13.011 11.467 20.052 1.00 15.73 C ATOM 25 CG1 VAL A 193 11.731 10.656 20.174 1.00 16.79 C ATOM 26 CG2 VAL A 193 14.139 10.809 20.852 1.00 17.43 C ATOM 27 N PHE A 194 14.438 13.851 18.549 1.00 13.13 N ATOM 28 CA PHE A 194 15.490 14.848 18.701 1.00 13.20 C ATOM 29 C PHE A 194 15.661 15.119 20.192 1.00 12.90 C ATOM 30 O PHE A 194 14.689 15.246 20.926 1.00 13.25 O ATOM 31 CB PHE A 194 15.080 16.105 17.946 1.00 13.03 C ATOM 32 CG PHE A 194 15.927 17.313 18.224 1.00 13.30 C ATOM 33 CD1 PHE A 194 17.015 17.609 17.412 1.00 13.65 C ATOM 34 CD2 PHE A 194 15.599 18.197 19.255 1.00 12.70 C ATOM 35 CE1 PHE A 194 17.779 18.749 17.624 1.00 13.18 C ATOM 36 CE2 PHE A 194 16.373 19.350 19.487 1.00 13.67 C ATOM 37 CZ PHE A 194 17.462 19.624 18.659 1.00 14.46 C ATOM 38 N VAL A 195 16.912 15.191 20.631 1.00 12.42 N ATOM 39 CA VAL A 195 17.217 15.402 22.047 1.00 12.02 C ATOM 40 C VAL A 195 17.999 16.697 22.176 1.00 12.25 C ATOM 41 O VAL A 195 19.145 16.765 21.754 1.00 13.38 O ATOM 42 CB VAL A 195 18.033 14.246 22.612 1.00 11.32 C ATOM 43 CG1 VAL A 195 18.253 14.461 24.133 1.00 11.91 C ATOM 44 CG2 VAL A 195 17.317 12.904 22.364 1.00 12.60 C ATOM 45 N GLY A 196 17.369 17.737 22.713 1.00 12.18 N ATOM 46 CA GLY A 196 17.993 19.053 22.745 1.00 11.42 C ATOM 47 C GLY A 196 18.637 19.332 24.090 1.00 11.77 C ATOM 48 O GLY A 196 18.227 18.765 25.077 1.00 12.06 O ATOM 49 N ARG A 197 19.651 20.207 24.109 1.00 12.06 N ATOM 50 CA ARG A 197 20.392 20.572 25.324 1.00 11.98 C ATOM 51 C ARG A 197 21.298 19.466 25.850 1.00 12.18 C ATOM 52 O ARG A 197 21.550 19.374 27.066 1.00 12.66 O ATOM 53 CB ARG A 197 19.465 21.111 26.438 1.00 11.66 C ATOM 54 CG ARG A 197 18.520 22.221 25.978 1.00 10.75 C ATOM 55 CD ARG A 197 17.752 22.853 27.134 1.00 12.38 C ATOM 56 NE ARG A 197 16.890 21.911 27.845 1.00 10.89 N ATOM 57 CZ ARG A 197 15.554 21.907 27.829 1.00 12.31 C ATOM 58 NH1 ARG A 197 14.857 22.781 27.099 1.00 12.10 N ATOM 59 NH2 ARG A 197 14.907 21.009 28.568 1.00 13.41 N ATOM 60 N CYS A 198 21.796 18.621 24.942 1.00 12.13 N ATOM 61 CA CYS A 198 22.833 17.658 25.314 1.00 13.06 C ATOM 62 C CYS A 198 24.097 18.411 25.707 1.00 12.69 C ATOM 63 O CYS A 198 24.301 19.552 25.295 1.00 14.03 O ATOM 64 CB CYS A 198 23.128 16.711 24.149 1.00 13.14 C ATOM 65 SG CYS A 198 21.780 15.550 23.850 1.00 14.47 S ATOM 66 N THR A 199 24.908 17.783 26.543 1.00 13.85 N ATOM 67 CA THR A 199 26.208 18.346 26.891 1.00 14.79 C ATOM 68 C THR A 199 27.281 17.500 26.223 1.00 15.76 C ATOM 69 O THR A 199 27.022 16.368 25.823 1.00 16.35 O ATOM 70 CB THR A 199 26.424 18.375 28.409 1.00 14.80 C ATOM 71 OG1 THR A 199 26.274 17.048 28.925 1.00 15.54 O ATOM 72 CG2 THR A 199 25.430 19.316 29.074 1.00 15.26 C ATOM 73 N GLU A 200 28.493 18.039 26.134 1.00 16.82 N ATOM 74 CA GLU A 200 29.552 17.368 25.380 1.00 18.91 C ATOM 75 C GLU A 200 29.986 16.019 25.938 1.00 18.94 C ATOM 76 O GLU A 200 30.415 15.137 25.177 1.00 19.54 O ATOM 77 CB GLU A 200 30.761 18.280 25.187 1.00 19.32 C ATOM 78 CG GLU A 200 31.856 17.630 24.319 1.00 23.55 C ATOM 79 CD GLU A 200 32.638 18.617 23.503 1.00 27.26 C ATOM 80 OE1 GLU A 200 32.428 19.832 23.693 1.00 28.70 O ATOM 81 OE2 GLU A 200 33.453 18.172 22.651 1.00 29.87 O ATOM 82 N ASP A 201 29.882 15.854 27.255 1.00 19.40 N ATOM 83 CA ASP A 201 30.268 14.603 27.900 1.00 19.88 C ATOM 84 C ASP A 201 29.272 13.467 27.687 1.00 19.53 C ATOM 85 O ASP A 201 29.554 12.311 28.030 1.00 19.83 O ATOM 86 CB ASP A 201 30.480 14.827 29.402 1.00 20.36 C ATOM 87 CG ASP A 201 29.245 15.380 30.086 1.00 22.17 C ATOM 88 OD1 ASP A 201 28.626 14.659 30.900 1.00 25.13 O ATOM 89 OD2 ASP A 201 28.882 16.545 29.810 1.00 25.18 O ATOM 90 N MET A 202 28.100 13.781 27.122 1.00 18.85 N ATOM 91 CA MET A 202 27.100 12.757 26.842 1.00 18.63 C ATOM 92 C MET A 202 27.465 11.927 25.624 1.00 19.01 C ATOM 93 O MET A 202 27.332 12.383 24.493 1.00 20.83 O ATOM 94 CB MET A 202 25.738 13.403 26.628 1.00 18.39 C ATOM 95 CG MET A 202 25.198 14.020 27.879 1.00 18.18 C ATOM 96 SD MET A 202 23.583 14.756 27.571 1.00 17.24 S ATOM 97 CE MET A 202 23.108 15.234 29.220 1.00 19.20 C ATOM 98 N THR A 203 27.916 10.702 25.858 1.00 18.64 N ATOM 99 CA THR A 203 28.353 9.850 24.759 1.00 18.04 C ATOM 100 C THR A 203 27.179 9.076 24.170 1.00 17.91 C ATOM 101 O THR A 203 26.121 8.958 24.795 1.00 16.61 O ATOM 102 CB THR A 203 29.372 8.829 25.249 1.00 17.94 C ATOM 103 OG1 THR A 203 28.742 7.961 26.188 1.00 16.82 O ATOM 104 CG2 THR A 203 30.584 9.530 25.919 1.00 18.89 C ATOM 105 N ALA A 204 27.382 8.527 22.976 1.00 17.66 N ATOM 106 CA ALA A 204 26.361 7.677 22.360 1.00 18.06 C ATOM 107 C ALA A 204 25.988 6.487 23.243 1.00 18.03 C ATOM 108 O ALA A 204 24.804 6.175 23.398 1.00 18.00 O ATOM 109 CB ALA A 204 26.797 7.232 20.948 1.00 18.04 C ATOM 110 N GLU A 205 26.986 5.853 23.870 1.00 17.79 N ATOM 111 CA GLU A 205 26.740 4.764 24.796 1.00 18.59 C ATOM 112 C GLU A 205 25.877 5.224 25.966 1.00 17.57 C ATOM 113 O GLU A 205 24.933 4.547 26.347 1.00 17.14 O ATOM 114 CB GLU A 205 28.059 4.192 25.331 1.00 18.21 C ATOM 115 CG GLU A 205 27.859 2.916 26.115 1.00 20.81 C ATOM 116 CD GLU A 205 29.143 2.359 26.717 1.00 21.39 C ATOM 117 OE1 GLU A 205 29.043 1.425 27.537 1.00 26.58 O ATOM 118 OE2 GLU A 205 30.234 2.860 26.380 1.00 26.82 O ATOM 119 N GLU A 206 26.212 6.381 26.534 1.00 17.09 N ATOM 120 CA GLU A 206 25.450 6.914 27.672 1.00 16.85 C ATOM 121 C GLU A 206 23.995 7.195 27.300 1.00 15.87 C ATOM 122 O GLU A 206 23.073 6.824 28.037 1.00 15.47 O ATOM 123 CB GLU A 206 26.119 8.165 28.240 1.00 17.43 C ATOM 124 CG GLU A 206 27.349 7.809 29.072 1.00 20.83 C ATOM 125 CD GLU A 206 28.061 9.017 29.646 1.00 24.69 C ATOM 126 OE1 GLU A 206 27.778 10.146 29.204 1.00 25.90 O ATOM 127 OE2 GLU A 206 28.912 8.820 30.547 1.00 28.12 O ATOM 128 N LEU A 207 23.795 7.809 26.143 1.00 15.56 N ATOM 129 CA LEU A 207 22.436 8.132 25.695 1.00 15.16 C ATOM 130 C LEU A 207 21.646 6.858 25.431 1.00 15.65 C ATOM 131 O LEU A 207 20.479 6.754 25.786 1.00 14.59 O ATOM 132 CB LEU A 207 22.452 9.025 24.453 1.00 15.51 C ATOM 133 CG LEU A 207 22.892 10.488 24.630 1.00 15.28 C ATOM 134 CD1 LEU A 207 22.689 11.219 23.317 1.00 17.51 C ATOM 135 CD2 LEU A 207 22.126 11.172 25.758 1.00 18.29 C ATOM 136 N GLN A 208 22.291 5.878 24.807 1.00 16.62 N ATOM 137 CA GLN A 208 21.617 4.620 24.550 1.00 17.07 C ATOM 138 C GLN A 208 21.222 3.925 25.862 1.00 16.51 C ATOM 139 O GLN A 208 20.090 3.465 26.024 1.00 16.58 O ATOM 140 CB GLN A 208 22.500 3.753 23.665 1.00 17.56 C ATOM 141 CG GLN A 208 21.810 2.552 23.175 1.00 20.09 C ATOM 142 CD GLN A 208 22.219 1.368 23.944 1.00 23.75 C ATOM 143 OE1 GLN A 208 21.506 0.916 24.845 1.00 25.05 O ATOM 144 NE2 GLN A 208 23.409 0.874 23.648 1.00 20.05 N ATOM 145 N GLN A 209 22.156 3.873 26.819 1.00 15.90 N ATOM 146 CA GLN A 209 21.881 3.331 28.141 1.00 16.07 C ATOM 147 C GLN A 209 20.716 4.036 28.816 1.00 15.78 C ATOM 148 O GLN A 209 19.865 3.398 29.433 1.00 17.23 O ATOM 149 CB GLN A 209 23.133 3.424 29.020 1.00 16.81 C ATOM 150 CG GLN A 209 24.183 2.384 28.638 1.00 16.82 C ATOM 151 CD GLN A 209 25.575 2.737 29.118 1.00 19.94 C ATOM 152 OE1 GLN A 209 25.864 3.896 29.446 1.00 23.36 O ATOM 153 NE2 GLN A 209 26.464 1.739 29.135 1.00 19.27 N ATOM 154 N PHE A 210 20.687 5.360 28.703 1.00 15.32 N ATOM 155 CA PHE A 210 19.614 6.127 29.322 1.00 13.80 C ATOM 156 C PHE A 210 18.286 5.851 28.636 1.00 13.20 C ATOM 157 O PHE A 210 17.299 5.547 29.294 1.00 14.72 O ATOM 158 CB PHE A 210 19.913 7.630 29.283 1.00 13.34 C ATOM 159 CG PHE A 210 18.807 8.468 29.878 1.00 13.62 C ATOM 160 CD1 PHE A 210 17.826 9.037 29.059 1.00 13.73 C ATOM 161 CD2 PHE A 210 18.744 8.681 31.256 1.00 14.59 C ATOM 162 CE1 PHE A 210 16.803 9.795 29.603 1.00 13.86 C ATOM 163 CE2 PHE A 210 17.726 9.446 31.817 1.00 14.69 C ATOM 164 CZ PHE A 210 16.740 9.988 30.994 1.00 12.61 C ATOM 165 N PHE A 211 18.270 5.944 27.315 1.00 13.78 N ATOM 166 CA PHE A 211 17.001 5.869 26.585 1.00 13.90 C ATOM 167 C PHE A 211 16.418 4.467 26.443 1.00 15.30 C ATOM 168 O PHE A 211 15.219 4.324 26.256 1.00 14.93 O ATOM 169 CB PHE A 211 17.118 6.555 25.229 1.00 12.98 C ATOM 170 CG PHE A 211 17.017 8.053 25.334 1.00 11.98 C ATOM 171 CD1 PHE A 211 18.157 8.840 25.328 1.00 11.67 C ATOM 172 CD2 PHE A 211 15.772 8.660 25.528 1.00 11.91 C ATOM 173 CE1 PHE A 211 18.073 10.223 25.462 1.00 11.29 C ATOM 174 CE2 PHE A 211 15.666 10.040 25.645 1.00 10.67 C ATOM 175 CZ PHE A 211 16.828 10.830 25.612 1.00 11.67 C ATOM 176 N CYS A 212 17.243 3.437 26.576 1.00 16.53 N ATOM 177 CA CYS A 212 16.698 2.084 26.448 1.00 17.51 C ATOM 178 C CYS A 212 15.830 1.651 27.646 1.00 18.00 C ATOM 179 O CYS A 212 15.183 0.591 27.601 1.00 18.06 O ATOM 180 CB CYS A 212 17.792 1.079 26.131 1.00 18.06 C ATOM 181 SG CYS A 212 18.773 0.596 27.549 1.00 20.56 S ATOM 182 N GLN A 213 15.773 2.466 28.700 1.00 18.08 N ATOM 183 CA GLN A 213 14.802 2.240 29.771 1.00 18.97 C ATOM 184 C GLN A 213 13.356 2.286 29.269 1.00 18.60 C ATOM 185 O GLN A 213 12.485 1.641 29.850 1.00 19.40 O ATOM 186 CB GLN A 213 14.980 3.212 30.947 1.00 19.17 C ATOM 187 CG GLN A 213 14.622 4.655 30.608 1.00 19.85 C ATOM 188 CD GLN A 213 14.849 5.612 31.760 1.00 20.20 C ATOM 189 OE1 GLN A 213 15.757 6.454 31.724 1.00 21.61 O ATOM 190 NE2 GLN A 213 14.031 5.485 32.792 1.00 17.62 N ATOM 191 N TYR A 214 13.123 3.036 28.190 1.00 18.62 N ATOM 192 CA TYR A 214 11.781 3.244 27.618 1.00 18.29 C ATOM 193 C TYR A 214 11.406 2.218 26.549 1.00 18.40 C ATOM 194 O TYR A 214 10.227 2.006 26.247 1.00 19.08 O ATOM 195 CB TYR A 214 11.666 4.657 27.043 1.00 17.65 C ATOM 196 CG TYR A 214 12.099 5.748 28.007 1.00 16.43 C ATOM 197 CD1 TYR A 214 13.241 6.509 27.758 1.00 17.02 C ATOM 198 CD2 TYR A 214 11.377 6.002 29.170 1.00 17.30 C ATOM 199 CE1 TYR A 214 13.638 7.509 28.626 1.00 15.25 C ATOM 200 CE2 TYR A 214 11.774 7.009 30.066 1.00 17.52 C ATOM 201 CZ TYR A 214 12.912 7.750 29.780 1.00 17.45 C ATOM 202 OH TYR A 214 13.319 8.737 30.649 1.00 17.24 O ATOM 203 N GLY A 215 12.415 1.593 25.967 1.00 18.25 N ATOM 204 CA GLY A 215 12.208 0.643 24.897 1.00 17.86 C ATOM 205 C GLY A 215 13.502 0.452 24.155 1.00 17.42 C ATOM 206 O GLY A 215 14.459 1.207 24.334 1.00 17.37 O ATOM 207 N GLU A 216 13.527 -0.557 23.302 1.00 17.10 N ATOM 208 CA GLU A 216 14.700 -0.834 22.494 1.00 17.12 C ATOM 209 C GLU A 216 15.158 0.372 21.669 1.00 17.46 C ATOM 210 O GLU A 216 14.372 0.982 20.935 1.00 15.73 O ATOM 211 CB GLU A 216 14.434 -2.043 21.594 1.00 17.07 C ATOM 212 CG GLU A 216 15.687 -2.562 20.954 1.00 18.08 C ATOM 213 CD GLU A 216 15.431 -3.612 19.904 1.00 20.94 C ATOM 214 OE1 GLU A 216 14.278 -4.064 19.776 1.00 21.68 O ATOM 215 OE2 GLU A 216 16.400 -3.967 19.210 1.00 20.70 O ATOM 216 N VAL A 217 16.432 0.735 21.832 1.00 17.15 N ATOM 217 CA VAL A 217 17.075 1.770 21.029 1.00 18.26 C ATOM 218 C VAL A 217 17.923 1.113 19.948 1.00 19.33 C ATOM 219 O VAL A 217 18.707 0.207 20.236 1.00 20.59 O ATOM 220 CB VAL A 217 17.976 2.695 21.912 1.00 17.75 C ATOM 221 CG1 VAL A 217 18.771 3.686 21.052 1.00 17.71 C ATOM 222 CG2 VAL A 217 17.133 3.418 22.961 1.00 19.02 C ATOM 223 N VAL A 218 17.758 1.570 18.716 1.00 20.54 N ATOM 224 CA VAL A 218 18.457 0.965 17.576 1.00 21.92 C ATOM 225 C VAL A 218 19.521 1.866 16.953 1.00 22.09 C ATOM 226 O VAL A 218 20.414 1.386 16.275 1.00 23.13 O ATOM 227 CB VAL A 218 17.481 0.389 16.512 1.00 22.05 C ATOM 228 CG1 VAL A 218 16.708 -0.792 17.106 1.00 23.64 C ATOM 229 CG2 VAL A 218 16.534 1.450 15.966 1.00 22.01 C ATOM 230 N ASP A 219 19.446 3.172 17.200 1.00 21.32 N ATOM 231 CA ASP A 219 20.526 4.058 16.781 1.00 20.84 C ATOM 232 C ASP A 219 20.620 5.311 17.645 1.00 19.88 C ATOM 233 O ASP A 219 19.647 5.718 18.264 1.00 18.85 O ATOM 234 CB ASP A 219 20.360 4.458 15.318 1.00 21.84 C ATOM 235 CG ASP A 219 21.692 4.664 14.610 1.00 25.25 C ATOM 236 OD1 ASP A 219 22.765 4.659 15.269 1.00 28.21 O ATOM 237 OD2 ASP A 219 21.656 4.834 13.375 1.00 30.56 O ATOM 238 N VAL A 220 21.814 5.898 17.682 1.00 18.88 N ATOM 239 CA VAL A 220 22.035 7.193 18.326 1.00 17.70 C ATOM 240 C VAL A 220 22.948 7.974 17.393 1.00 17.60 C ATOM 241 O VAL A 220 23.936 7.433 16.902 1.00 18.99 O ATOM 242 CB VAL A 220 22.719 7.081 19.716 1.00 17.83 C ATOM 243 CG1 VAL A 220 23.017 8.479 20.296 1.00 17.57 C ATOM 244 CG2 VAL A 220 21.871 6.286 20.694 1.00 17.36 C ATOM 245 N PHE A 221 22.615 9.232 17.154 1.00 16.48 N ATOM 246 CA PHE A 221 23.446 10.102 16.350 1.00 16.59 C ATOM 247 C PHE A 221 23.796 11.338 17.158 1.00 16.42 C ATOM 248 O PHE A 221 22.904 12.048 17.641 1.00 16.16 O ATOM 249 CB PHE A 221 22.725 10.500 15.062 1.00 16.85 C ATOM 250 CG PHE A 221 23.590 11.249 14.096 1.00 17.64 C ATOM 251 CD1 PHE A 221 23.780 12.619 14.230 1.00 18.86 C ATOM 252 CD2 PHE A 221 24.204 10.582 13.029 1.00 19.99 C ATOM 253 CE1 PHE A 221 24.586 13.323 13.334 1.00 20.91 C ATOM 254 CE2 PHE A 221 25.004 11.280 12.129 1.00 20.04 C ATOM 255 CZ PHE A 221 25.197 12.646 12.284 1.00 18.90 C ATOM 256 N ILE A 222 25.097 11.588 17.288 1.00 16.68 N ATOM 257 CA ILE A 222 25.611 12.779 17.938 1.00 17.39 C ATOM 258 C ILE A 222 26.449 13.541 16.913 1.00 18.02 C ATOM 259 O ILE A 222 27.452 13.014 16.425 1.00 17.69 O ATOM 260 CB ILE A 222 26.465 12.426 19.190 1.00 17.37 C ATOM 261 CG1 ILE A 222 25.592 11.760 20.254 1.00 18.06 C ATOM 262 CG2 ILE A 222 27.177 13.683 19.743 1.00 17.10 C ATOM 263 CD1 ILE A 222 26.353 11.190 21.462 1.00 18.54 C ATOM 264 N PRO A 223 26.039 14.775 16.577 1.00 18.68 N ATOM 265 CA PRO A 223 26.817 15.559 15.619 1.00 19.27 C ATOM 266 C PRO A 223 28.249 15.815 16.082 1.00 20.13 C ATOM 267 O PRO A 223 28.516 15.941 17.282 1.00 19.50 O ATOM 268 CB PRO A 223 26.049 16.879 15.547 1.00 19.34 C ATOM 269 CG PRO A 223 24.646 16.488 15.904 1.00 19.42 C ATOM 270 CD PRO A 223 24.850 15.519 17.024 1.00 18.69 C ATOM 271 N LYS A 224 29.149 15.866 15.104 1.00 20.94 N ATOM 272 CA LYS A 224 30.546 16.233 15.302 1.00 22.90 C ATOM 273 C LYS A 224 30.894 17.259 14.245 1.00 22.77 C ATOM 274 O LYS A 224 30.689 17.001 13.051 1.00 24.69 O ATOM 275 CB LYS A 224 31.465 15.023 15.142 1.00 23.15 C ATOM 276 CG LYS A 224 31.557 14.150 16.368 1.00 26.19 C ATOM 277 CD LYS A 224 30.510 13.072 16.316 1.00 29.61 C ATOM 278 CE LYS A 224 30.254 12.473 17.683 1.00 30.53 C ATOM 279 NZ LYS A 224 29.457 11.246 17.529 1.00 29.82 N ATOM 280 N PRO A 225 31.396 18.440 14.658 1.00 22.06 N ATOM 281 CA PRO A 225 31.687 18.862 16.035 1.00 20.46 C ATOM 282 C PRO A 225 30.440 19.069 16.896 1.00 18.98 C ATOM 283 O PRO A 225 29.322 19.042 16.392 1.00 18.49 O ATOM 284 CB PRO A 225 32.423 20.196 15.850 1.00 20.43 C ATOM 285 CG PRO A 225 32.819 20.235 14.391 1.00 22.05 C ATOM 286 CD PRO A 225 31.751 19.488 13.685 1.00 22.33 C ATOM 287 N PHE A 226 30.660 19.271 18.190 1.00 17.76 N ATOM 288 CA PHE A 226 29.579 19.354 19.178 1.00 17.19 C ATOM 289 C PHE A 226 28.558 20.445 18.872 1.00 16.67 C ATOM 290 O PHE A 226 28.908 21.610 18.690 1.00 16.76 O ATOM 291 CB PHE A 226 30.190 19.576 20.562 1.00 16.44 C ATOM 292 CG PHE A 226 29.172 19.771 21.659 1.00 16.64 C ATOM 293 CD1 PHE A 226 28.370 18.712 22.077 1.00 17.87 C ATOM 294 CD2 PHE A 226 29.025 21.009 22.268 1.00 17.27 C ATOM 295 CE1 PHE A 226 27.426 18.903 23.105 1.00 16.17 C ATOM 296 CE2 PHE A 226 28.100 21.198 23.301 1.00 15.73 C ATOM 297 CZ PHE A 226 27.304 20.152 23.707 1.00 16.87 C ATOM 298 N ARG A 227 27.282 20.055 18.850 1.00 16.19 N ATOM 299 CA ARG A 227 26.196 20.981 18.584 1.00 16.04 C ATOM 300 C ARG A 227 25.080 20.964 19.644 1.00 15.69 C ATOM 301 O ARG A 227 24.044 21.623 19.467 1.00 15.76 O ATOM 302 CB ARG A 227 25.612 20.726 17.187 1.00 17.11 C ATOM 303 CG ARG A 227 26.504 21.183 16.051 1.00 19.62 C ATOM 304 CD ARG A 227 25.653 21.826 14.956 1.00 26.65 C ATOM 305 NE ARG A 227 25.162 20.822 14.029 1.00 31.37 N ATOM 306 CZ ARG A 227 24.096 20.944 13.240 1.00 31.33 C ATOM 307 NH1 ARG A 227 23.342 22.039 13.240 1.00 31.80 N ATOM 308 NH2 ARG A 227 23.779 19.940 12.446 1.00 33.67 N ATOM 309 N ALA A 228 25.298 20.231 20.738 1.00 15.23 N ATOM 310 CA ALA A 228 24.375 20.224 21.907 1.00 14.50 C ATOM 311 C ALA A 228 23.007 19.593 21.614 1.00 14.42 C ATOM 312 O ALA A 228 21.986 19.970 22.194 1.00 14.12 O ATOM 313 CB ALA A 228 24.221 21.619 22.509 1.00 14.58 C ATOM 314 N PHE A 229 22.992 18.639 20.694 1.00 14.02 N ATOM 315 CA PHE A 229 21.802 17.815 20.477 1.00 13.64 C ATOM 316 C PHE A 229 22.175 16.426 19.978 1.00 13.18 C ATOM 317 O PHE A 229 23.338 16.145 19.713 1.00 13.95 O ATOM 318 CB PHE A 229 20.784 18.511 19.548 1.00 14.13 C ATOM 319 CG PHE A 229 21.236 18.658 18.110 1.00 15.71 C ATOM 320 CD1 PHE A 229 21.853 19.827 17.684 1.00 18.57 C ATOM 321 CD2 PHE A 229 21.013 17.637 17.187 1.00 17.34 C ATOM 322 CE1 PHE A 229 22.244 19.975 16.359 1.00 19.17 C ATOM 323 CE2 PHE A 229 21.400 17.774 15.855 1.00 17.53 C ATOM 324 CZ PHE A 229 22.034 18.941 15.446 1.00 16.89 C ATOM 325 N ALA A 230 21.189 15.550 19.903 1.00 12.77 N ATOM 326 CA ALA A 230 21.402 14.181 19.448 1.00 12.77 C ATOM 327 C ALA A 230 20.101 13.661 18.851 1.00 12.88 C ATOM 328 O ALA A 230 19.051 14.271 19.015 1.00 13.11 O ATOM 329 CB ALA A 230 21.843 13.295 20.608 1.00 13.23 C ATOM 330 N PHE A 231 20.193 12.550 18.136 1.00 13.30 N ATOM 331 CA PHE A 231 18.997 11.824 17.714 1.00 13.19 C ATOM 332 C PHE A 231 19.046 10.448 18.291 1.00 13.67 C ATOM 333 O PHE A 231 20.107 9.811 18.325 1.00 14.26 O ATOM 334 CB PHE A 231 18.925 11.737 16.188 1.00 14.41 C ATOM 335 CG PHE A 231 18.689 13.055 15.527 1.00 15.44 C ATOM 336 CD1 PHE A 231 19.752 13.815 15.056 1.00 16.77 C ATOM 337 CD2 PHE A 231 17.402 13.560 15.421 1.00 16.14 C ATOM 338 CE1 PHE A 231 19.523 15.061 14.471 1.00 19.10 C ATOM 339 CE2 PHE A 231 17.168 14.793 14.837 1.00 18.04 C ATOM 340 CZ PHE A 231 18.225 15.543 14.354 1.00 18.29 C ATOM 341 N VAL A 232 17.894 9.972 18.748 1.00 13.05 N ATOM 342 CA VAL A 232 17.811 8.618 19.287 1.00 13.43 C ATOM 343 C VAL A 232 16.685 7.917 18.532 1.00 13.90 C ATOM 344 O VAL A 232 15.565 8.440 18.455 1.00 12.97 O ATOM 345 CB VAL A 232 17.514 8.593 20.815 1.00 13.31 C ATOM 346 CG1 VAL A 232 17.290 7.183 21.294 1.00 12.98 C ATOM 347 CG2 VAL A 232 18.647 9.252 21.629 1.00 13.88 C ATOM 348 N THR A 233 16.998 6.741 17.991 1.00 14.85 N ATOM 349 CA THR A 233 16.018 5.956 17.242 1.00 15.52 C ATOM 350 C THR A 233 15.569 4.744 18.053 1.00 15.39 C ATOM 351 O THR A 233 16.389 3.964 18.535 1.00 14.98 O ATOM 352 CB THR A 233 16.577 5.497 15.867 1.00 16.32 C ATOM 353 OG1 THR A 233 17.135 6.621 15.184 1.00 17.21 O ATOM 354 CG2 THR A 233 15.444 4.931 15.004 1.00 17.09 C ATOM 355 N PHE A 234 14.252 4.588 18.175 1.00 15.39 N ATOM 356 CA PHE A 234 13.645 3.438 18.830 1.00 16.02 C ATOM 357 C PHE A 234 13.121 2.430 17.827 1.00 16.84 C ATOM 358 O PHE A 234 12.770 2.794 16.700 1.00 16.82 O ATOM 359 CB PHE A 234 12.494 3.899 19.733 1.00 15.94 C ATOM 360 CG PHE A 234 12.939 4.800 20.823 1.00 15.08 C ATOM 361 CD1 PHE A 234 12.987 6.177 20.636 1.00 15.00 C ATOM 362 CD2 PHE A 234 13.352 4.266 22.036 1.00 16.33 C ATOM 363 CE1 PHE A 234 13.438 7.003 21.665 1.00 15.25 C ATOM 364 CE2 PHE A 234 13.793 5.084 23.064 1.00 15.97 C ATOM 365 CZ PHE A 234 13.852 6.457 22.863 1.00 15.01 C ATOM 366 N ALA A 235 13.069 1.165 18.242 1.00 17.75 N ATOM 367 CA ALA A 235 12.451 0.119 17.414 1.00 19.57 C ATOM 368 C ALA A 235 10.939 0.346 17.312 1.00 20.46 C ATOM 369 O ALA A 235 10.341 0.087 16.263 1.00 20.98 O ATOM 370 CB ALA A 235 12.758 -1.259 17.973 1.00 19.41 C ATOM 371 N ASP A 236 10.352 0.865 18.390 1.00 21.58 N ATOM 372 CA ASP A 236 8.901 1.048 18.536 1.00 23.19 C ATOM 373 C ASP A 236 8.480 2.535 18.428 1.00 23.74 C ATOM 374 O ASP A 236 8.914 3.370 19.233 1.00 23.72 O ATOM 375 CB ASP A 236 8.498 0.447 19.893 1.00 23.25 C ATOM 376 CG ASP A 236 7.000 0.487 20.168 1.00 25.48 C ATOM 377 OD1 ASP A 236 6.211 0.907 19.297 1.00 28.71 O ATOM 378 OD2 ASP A 236 6.611 0.083 21.293 1.00 27.68 O ATOM 379 N ASP A 237 7.620 2.859 17.452 1.00 25.01 N ATOM 380 CA ASP A 237 7.094 4.233 17.283 1.00 25.70 C ATOM 381 C ASP A 237 6.412 4.773 18.530 1.00 25.14 C ATOM 382 O ASP A 237 6.573 5.944 18.870 1.00 24.86 O ATOM 383 CB ASP A 237 6.080 4.312 16.133 1.00 26.67 C ATOM 384 CG ASP A 237 6.732 4.312 14.771 1.00 29.53 C ATOM 385 OD1 ASP A 237 7.606 3.452 14.515 1.00 34.41 O ATOM 386 OD2 ASP A 237 6.351 5.168 13.944 1.00 33.76 O ATOM 387 N LYS A 238 5.638 3.916 19.189 1.00 24.36 N ATOM 388 CA LYS A 238 4.881 4.287 20.376 1.00 24.29 C ATOM 389 C LYS A 238 5.796 4.845 21.463 1.00 23.37 C ATOM 390 O LYS A 238 5.444 5.804 22.150 1.00 23.28 O ATOM 391 CB LYS A 238 4.096 3.081 20.894 1.00 24.77 C ATOM 392 CG LYS A 238 2.895 2.702 20.033 1.00 27.81 C ATOM 393 CD LYS A 238 1.606 3.314 20.596 1.00 31.59 C ATOM 394 CE LYS A 238 0.357 2.722 19.952 1.00 32.11 C ATOM 395 NZ LYS A 238 0.228 3.080 18.503 1.00 35.17 N ATOM 396 N VAL A 239 6.985 4.259 21.583 1.00 22.27 N ATOM 397 CA VAL A 239 7.966 4.716 22.565 1.00 21.76 C ATOM 398 C VAL A 239 8.466 6.130 22.242 1.00 21.42 C ATOM 399 O VAL A 239 8.494 7.004 23.113 1.00 21.53 O ATOM 400 CB VAL A 239 9.157 3.745 22.700 1.00 21.51 C ATOM 401 CG1 VAL A 239 10.170 4.294 23.728 1.00 21.39 C ATOM 402 CG2 VAL A 239 8.683 2.367 23.138 1.00 21.97 C ATOM 403 N ALA A 240 8.833 6.366 20.990 1.00 21.09 N ATOM 404 CA ALA A 240 9.321 7.687 20.579 1.00 20.67 C ATOM 405 C ALA A 240 8.260 8.766 20.826 1.00 20.64 C ATOM 406 O ALA A 240 8.542 9.833 21.382 1.00 20.51 O ATOM 407 CB ALA A 240 9.743 7.660 19.116 1.00 20.97 C ATOM 408 N GLN A 241 7.023 8.469 20.438 1.00 21.04 N ATOM 409 CA GLN A 241 5.931 9.426 20.582 1.00 21.24 C ATOM 410 C GLN A 241 5.601 9.764 22.038 1.00 20.31 C ATOM 411 O GLN A 241 5.239 10.902 22.340 1.00 20.64 O ATOM 412 CB GLN A 241 4.683 8.957 19.824 1.00 22.04 C ATOM 413 CG GLN A 241 4.874 8.925 18.294 1.00 25.40 C ATOM 414 CD GLN A 241 5.528 10.189 17.730 1.00 29.12 C ATOM 415 OE1 GLN A 241 6.599 10.128 17.124 1.00 31.36 O ATOM 416 NE2 GLN A 241 4.889 11.341 17.941 1.00 30.44 N ATOM 417 N SER A 242 5.748 8.794 22.935 1.00 19.57 N ATOM 418 CA SER A 242 5.447 9.002 24.351 1.00 18.84 C ATOM 419 C SER A 242 6.440 9.964 25.011 1.00 17.26 C ATOM 420 O SER A 242 6.123 10.614 26.002 1.00 17.66 O ATOM 421 CB SER A 242 5.412 7.671 25.116 1.00 19.74 C ATOM 422 OG SER A 242 6.684 7.038 25.085 1.00 23.16 O ATOM 423 N LEU A 243 7.637 10.049 24.445 1.00 15.70 N ATOM 424 CA LEU A 243 8.677 10.917 24.988 1.00 14.66 C ATOM 425 C LEU A 243 8.611 12.345 24.475 1.00 14.23 C ATOM 426 O LEU A 243 9.172 13.249 25.087 1.00 12.75 O ATOM 427 CB LEU A 243 10.057 10.346 24.653 1.00 14.92 C ATOM 428 CG LEU A 243 10.386 8.973 25.240 1.00 15.90 C ATOM 429 CD1 LEU A 243 11.734 8.531 24.689 1.00 18.12 C ATOM 430 CD2 LEU A 243 10.352 8.973 26.774 1.00 17.35 C ATOM 431 N CYS A 244 7.962 12.552 23.334 1.00 13.65 N ATOM 432 CA CYS A 244 7.979 13.871 22.702 1.00 14.65 C ATOM 433 C CYS A 244 7.263 14.884 23.578 1.00 13.97 C ATOM 434 O CYS A 244 6.171 14.614 24.094 1.00 15.00 O ATOM 435 CB CYS A 244 7.367 13.808 21.307 1.00 15.38 C ATOM 436 SG CYS A 244 8.431 12.984 20.115 1.00 19.06 S ATOM 437 N GLY A 245 7.911 16.029 23.784 1.00 13.94 N ATOM 438 CA GLY A 245 7.379 17.088 24.617 1.00 12.67 C ATOM 439 C GLY A 245 7.838 17.027 26.065 1.00 12.24 C ATOM 440 O GLY A 245 7.547 17.943 26.824 1.00 12.69 O ATOM 441 N GLU A 246 8.551 15.962 26.430 1.00 10.47 N ATOM 442 CA GLU A 246 9.054 15.786 27.802 1.00 10.36 C ATOM 443 C GLU A 246 10.416 16.430 27.974 1.00 10.74 C ATOM 444 O GLU A 246 11.143 16.643 27.006 1.00 11.31 O ATOM 445 CB GLU A 246 9.147 14.304 28.154 1.00 11.41 C ATOM 446 CG GLU A 246 7.766 13.660 28.099 1.00 11.60 C ATOM 447 CD GLU A 246 7.701 12.263 28.666 1.00 13.35 C ATOM 448 OE1 GLU A 246 8.725 11.544 28.684 1.00 11.06 O ATOM 449 OE2 GLU A 246 6.587 11.877 29.088 1.00 13.79 O ATOM 450 N ASP A 247 10.748 16.726 29.222 1.00 11.39 N ATOM 451 CA ASP A 247 12.085 17.200 29.563 1.00 11.74 C ATOM 452 C ASP A 247 12.615 16.202 30.570 1.00 12.00 C ATOM 453 O ASP A 247 12.029 16.007 31.628 1.00 12.52 O ATOM 454 CB ASP A 247 11.997 18.591 30.162 1.00 13.25 C ATOM 455 CG ASP A 247 11.333 19.552 29.235 1.00 15.56 C ATOM 456 OD1 ASP A 247 11.983 19.875 28.221 1.00 16.61 O ATOM 457 OD2 ASP A 247 10.149 19.934 29.485 1.00 17.61 O ATOM 458 N LEU A 248 13.700 15.530 30.195 1.00 11.73 N ATOM 459 CA LEU A 248 14.192 14.391 30.954 1.00 12.10 C ATOM 460 C LEU A 248 15.500 14.786 31.588 1.00 12.46 C ATOM 461 O LEU A 248 16.168 15.687 31.101 1.00 13.16 O ATOM 462 CB LEU A 248 14.390 13.200 30.021 1.00 11.98 C ATOM 463 CG LEU A 248 13.104 12.729 29.330 1.00 11.53 C ATOM 464 CD1 LEU A 248 13.380 11.505 28.497 1.00 11.96 C ATOM 465 CD2 LEU A 248 12.005 12.424 30.341 1.00 12.13 C ATOM 466 N ILE A 249 15.864 14.116 32.672 1.00 12.19 N ATOM 467 CA ILE A 249 17.098 14.459 33.380 1.00 12.49 C ATOM 468 C ILE A 249 18.143 13.376 33.113 1.00 12.56 C ATOM 469 O ILE A 249 17.934 12.214 33.460 1.00 12.50 O ATOM 470 CB ILE A 249 16.847 14.614 34.911 1.00 12.86 C ATOM 471 CG1 ILE A 249 15.922 15.809 35.215 1.00 13.29 C ATOM 472 CG2 ILE A 249 18.155 14.768 35.689 1.00 13.64 C ATOM 473 CD1 ILE A 249 16.505 17.178 34.916 1.00 16.11 C ATOM 474 N ILE A 250 19.241 13.772 32.472 1.00 13.01 N ATOM 475 CA ILE A 250 20.362 12.873 32.170 1.00 14.05 C ATOM 476 C ILE A 250 21.585 13.443 32.880 1.00 15.54 C ATOM 477 O ILE A 250 22.004 14.557 32.581 1.00 15.17 O ATOM 478 CB ILE A 250 20.650 12.779 30.653 1.00 13.90 C ATOM 479 CG1 ILE A 250 19.419 12.258 29.906 1.00 13.54 C ATOM 480 CG2 ILE A 250 21.856 11.860 30.417 1.00 14.53 C ATOM 481 CD1 ILE A 250 19.566 12.152 28.407 1.00 15.30 C ATOM 482 N LYS A 251 22.128 12.685 33.837 1.00 17.36 N ATOM 483 CA LYS A 251 23.260 13.152 34.666 1.00 19.51 C ATOM 484 C LYS A 251 23.016 14.580 35.218 1.00 18.98 C ATOM 485 O LYS A 251 23.911 15.433 35.164 1.00 19.69 O ATOM 486 CB LYS A 251 24.599 13.137 33.886 1.00 20.37 C ATOM 487 CG LYS A 251 24.854 12.011 32.860 1.00 22.29 C ATOM 488 CD LYS A 251 26.024 12.355 31.898 1.00 22.40 C ATOM 489 CE LYS A 251 27.392 11.839 32.380 1.00 25.32 C ATOM 490 NZ LYS A 251 28.485 12.036 31.363 1.00 24.45 N ATOM 491 N GLY A 252 21.806 14.844 35.718 1.00 17.61 N ATOM 492 CA GLY A 252 21.455 16.156 36.301 1.00 16.33 C ATOM 493 C GLY A 252 21.094 17.287 35.344 1.00 14.83 C ATOM 494 O GLY A 252 20.792 18.408 35.774 1.00 15.32 O ATOM 495 N ILE A 253 21.107 16.992 34.046 1.00 13.40 N ATOM 496 CA ILE A 253 20.871 17.990 32.995 1.00 13.21 C ATOM 497 C ILE A 253 19.501 17.757 32.365 1.00 11.67 C ATOM 498 O ILE A 253 19.138 16.629 32.077 1.00 10.99 O ATOM 499 CB ILE A 253 21.932 17.877 31.914 1.00 14.06 C ATOM 500 CG1 ILE A 253 23.320 18.009 32.552 1.00 16.55 C ATOM 501 CG2 ILE A 253 21.703 18.930 30.818 1.00 13.33 C ATOM 502 CD1 ILE A 253 24.330 17.164 31.892 1.00 20.43 C ATOM 503 N SER A 254 18.731 18.826 32.215 1.00 11.87 N ATOM 504 CA SER A 254 17.414 18.726 31.589 1.00 11.81 C ATOM 505 C SER A 254 17.552 18.845 30.093 1.00 11.80 C ATOM 506 O SER A 254 17.968 19.888 29.595 1.00 11.91 O ATOM 507 CB SER A 254 16.496 19.827 32.115 1.00 12.83 C ATOM 508 OG SER A 254 15.256 19.803 31.435 1.00 13.10 O ATOM 509 N VAL A 255 17.206 17.762 29.397 1.00 11.42 N ATOM 510 CA VAL A 255 17.187 17.737 27.927 1.00 12.03 C ATOM 511 C VAL A 255 15.739 17.737 27.440 1.00 11.88 C ATOM 512 O VAL A 255 14.851 17.201 28.104 1.00 12.83 O ATOM 513 CB VAL A 255 17.960 16.504 27.354 1.00 11.45 C ATOM 514 CG1 VAL A 255 19.438 16.525 27.820 1.00 12.58 C ATOM 515 CG2 VAL A 255 17.273 15.170 27.711 1.00 12.78 C ATOM 516 N HIS A 256 15.495 18.324 26.278 1.00 12.17 N ATOM 517 CA HIS A 256 14.135 18.399 25.775 1.00 12.92 C ATOM 518 C HIS A 256 13.981 17.410 24.640 1.00 13.01 C ATOM 519 O HIS A 256 14.837 17.336 23.757 1.00 13.64 O ATOM 520 CB HIS A 256 13.779 19.812 25.280 1.00 13.77 C ATOM 521 CG HIS A 256 12.339 19.936 24.886 1.00 14.68 C ATOM 522 ND1 HIS A 256 11.929 20.079 23.577 1.00 19.86 N ATOM 523 CD2 HIS A 256 11.211 19.878 25.630 1.00 15.55 C ATOM 524 CE1 HIS A 256 10.610 20.133 23.539 1.00 17.15 C ATOM 525 NE2 HIS A 256 10.146 20.007 24.766 1.00 18.78 N ATOM 526 N ILE A 257 12.878 16.665 24.644 1.00 13.12 N ATOM 527 CA ILE A 257 12.628 15.667 23.610 1.00 13.33 C ATOM 528 C ILE A 257 11.611 16.189 22.596 1.00 14.19 C ATOM 529 O ILE A 257 10.537 16.664 22.974 1.00 14.77 O ATOM 530 CB ILE A 257 12.077 14.342 24.202 1.00 13.18 C ATOM 531 CG1 ILE A 257 12.873 13.892 25.443 1.00 12.52 C ATOM 532 CG2 ILE A 257 12.032 13.248 23.121 1.00 14.96 C ATOM 533 CD1 ILE A 257 14.387 13.718 25.202 1.00 15.53 C ATOM 534 N SER A 258 11.940 16.079 21.314 1.00 15.04 N ATOM 535 CA SER A 258 11.035 16.534 20.254 1.00 16.89 C ATOM 536 C SER A 258 11.052 15.548 19.092 1.00 17.37 C ATOM 537 O SER A 258 11.924 14.686 19.006 1.00 16.80 O ATOM 538 CB SER A 258 11.465 17.923 19.778 1.00 17.26 C ATOM 539 OG SER A 258 10.411 18.549 19.063 1.00 21.44 O ATOM 540 N ASN A 259 10.079 15.651 18.194 1.00 18.81 N ATOM 541 CA ASN A 259 10.119 14.809 17.014 1.00 20.86 C ATOM 542 C ASN A 259 11.313 15.145 16.143 1.00 21.51 C ATOM 543 O ASN A 259 11.679 16.315 16.014 1.00 21.44 O ATOM 544 CB ASN A 259 8.838 14.971 16.206 1.00 21.54 C ATOM 545 CG ASN A 259 7.692 14.225 16.816 1.00 24.00 C ATOM 546 OD1 ASN A 259 6.875 14.806 17.526 1.00 30.43 O ATOM 547 ND2 ASN A 259 7.633 12.916 16.567 1.00 28.48 N ATOM 548 N ALA A 260 11.926 14.110 15.574 1.00 23.17 N ATOM 549 CA ALA A 260 12.976 14.282 14.587 1.00 25.53 C ATOM 550 C ALA A 260 12.326 14.577 13.240 1.00 27.17 C ATOM 551 O ALA A 260 11.384 13.888 12.837 1.00 27.57 O ATOM 552 CB ALA A 260 13.829 13.035 14.493 1.00 25.41 C ATOM 553 N GLU A 261 12.809 15.613 12.568 1.00 29.04 N ATOM 554 CA GLU A 261 12.295 15.962 11.241 1.00 30.85 C ATOM 555 C GLU A 261 13.372 15.817 10.169 1.00 31.45 C ATOM 556 O GLU A 261 14.557 15.683 10.488 1.00 32.39 O ATOM 557 CB GLU A 261 11.667 17.364 11.233 1.00 31.57 C ATOM 558 CG GLU A 261 12.407 18.440 12.025 1.00 34.26 C ATOM 559 CD GLU A 261 13.477 19.156 11.218 1.00 36.75 C ATOM 560 OE1 GLU A 261 14.456 18.506 10.802 1.00 38.55 O ATOM 561 OE2 GLU A 261 13.350 20.386 11.016 1.00 39.45 O TER 562 GLU A 261 ATOM 563 P DT B 2 20.683 26.331 18.481 0.50 35.42 P ATOM 564 OP1 DT B 2 21.805 27.097 19.073 0.50 34.87 O ATOM 565 OP2 DT B 2 20.160 26.704 17.145 0.50 34.95 O ATOM 566 O5' DT B 2 21.062 24.776 18.434 0.50 32.54 O ATOM 567 C5' DT B 2 20.825 23.943 19.573 0.50 32.28 C ATOM 568 C4' DT B 2 19.670 22.987 19.317 0.50 30.94 C ATOM 569 O4' DT B 2 19.073 22.606 20.582 0.50 30.39 O ATOM 570 C3' DT B 2 18.548 23.568 18.456 0.50 31.16 C ATOM 571 O3' DT B 2 18.297 22.741 17.327 0.50 33.00 O ATOM 572 C2' DT B 2 17.331 23.654 19.365 0.50 30.04 C ATOM 573 C1' DT B 2 17.670 22.689 20.493 0.50 28.94 C ATOM 574 N1 DT B 2 17.121 23.167 21.782 0.50 28.14 N ATOM 575 C2 DT B 2 15.975 22.581 22.281 0.50 28.19 C ATOM 576 O2 DT B 2 15.383 21.669 21.724 0.50 28.49 O ATOM 577 N3 DT B 2 15.535 23.110 23.469 0.50 26.62 N ATOM 578 C4 DT B 2 16.120 24.133 24.184 0.50 26.60 C ATOM 579 O4 DT B 2 15.641 24.519 25.238 0.50 27.77 O ATOM 580 C5 DT B 2 17.319 24.707 23.607 0.50 26.91 C ATOM 581 C7 DT B 2 18.069 25.811 24.295 0.50 25.71 C ATOM 582 C6 DT B 2 17.753 24.205 22.446 0.50 27.28 C ATOM 583 P DT B 3 18.296 23.420 15.877 1.00 35.72 P ATOM 584 OP1 DT B 3 19.607 24.106 15.742 1.00 34.35 O ATOM 585 OP2 DT B 3 17.051 24.201 15.704 1.00 35.38 O ATOM 586 O5' DT B 3 18.247 22.175 14.852 1.00 32.30 O ATOM 587 C5' DT B 3 19.354 21.300 14.670 1.00 28.27 C ATOM 588 C4' DT B 3 19.042 20.109 13.767 1.00 24.88 C ATOM 589 O4' DT B 3 18.074 19.232 14.398 1.00 21.24 O ATOM 590 C3' DT B 3 18.458 20.450 12.398 1.00 25.54 C ATOM 591 O3' DT B 3 18.996 19.605 11.409 1.00 27.98 O ATOM 592 C2' DT B 3 16.960 20.187 12.551 1.00 23.06 C ATOM 593 C1' DT B 3 16.914 19.087 13.610 1.00 22.22 C ATOM 594 N1 DT B 3 15.772 19.197 14.562 1.00 21.40 N ATOM 595 C2 DT B 3 14.886 18.150 14.694 1.00 20.53 C ATOM 596 O2 DT B 3 14.970 17.110 14.066 1.00 20.40 O ATOM 597 N3 DT B 3 13.884 18.364 15.611 1.00 20.72 N ATOM 598 C4 DT B 3 13.690 19.490 16.392 1.00 22.61 C ATOM 599 O4 DT B 3 12.758 19.577 17.193 1.00 22.87 O ATOM 600 C5 DT B 3 14.660 20.541 16.217 1.00 22.53 C ATOM 601 C7 DT B 3 14.567 21.813 17.015 1.00 24.99 C ATOM 602 C6 DT B 3 15.641 20.348 15.322 1.00 22.33 C ATOM 603 P DG B 4 20.481 19.844 10.840 1.00 30.33 P ATOM 604 OP1 DG B 4 20.897 21.263 11.003 1.00 31.22 O ATOM 605 OP2 DG B 4 20.455 19.186 9.519 1.00 31.46 O ATOM 606 O5' DG B 4 21.403 18.997 11.829 1.00 29.59 O ATOM 607 C5' DG B 4 21.163 17.635 12.037 1.00 27.87 C ATOM 608 C4' DG B 4 22.444 16.828 11.944 1.00 26.03 C ATOM 609 O4' DG B 4 22.171 15.484 12.404 1.00 24.22 O ATOM 610 C3' DG B 4 23.008 16.594 10.549 1.00 25.92 C ATOM 611 O3' DG B 4 24.282 16.016 10.713 1.00 27.27 O ATOM 612 C2' DG B 4 22.053 15.528 10.045 1.00 25.09 C ATOM 613 C1' DG B 4 22.006 14.628 11.284 1.00 23.68 C ATOM 614 N9 DG B 4 20.771 13.867 11.456 1.00 23.48 N ATOM 615 C8 DG B 4 20.711 12.544 11.824 1.00 23.05 C ATOM 616 N7 DG B 4 19.493 12.086 11.909 1.00 23.39 N ATOM 617 C5 DG B 4 18.694 13.174 11.582 1.00 22.60 C ATOM 618 C6 DG B 4 17.281 13.282 11.516 1.00 22.84 C ATOM 619 O6 DG B 4 16.442 12.401 11.729 1.00 23.76 O ATOM 620 N1 DG B 4 16.842 14.551 11.148 1.00 23.72 N ATOM 621 C2 DG B 4 17.678 15.606 10.878 1.00 23.34 C ATOM 622 N2 DG B 4 17.072 16.755 10.548 1.00 23.47 N ATOM 623 N3 DG B 4 19.008 15.526 10.949 1.00 23.75 N ATOM 624 C4 DG B 4 19.458 14.289 11.295 1.00 22.53 C ATOM 625 P DA B 5 25.440 16.125 9.609 1.00 29.82 P ATOM 626 OP1 DA B 5 26.586 16.778 10.292 1.00 31.21 O ATOM 627 OP2 DA B 5 24.882 16.727 8.380 1.00 30.70 O ATOM 628 O5' DA B 5 25.866 14.615 9.360 1.00 28.82 O ATOM 629 C5' DA B 5 24.980 13.681 8.753 1.00 28.34 C ATOM 630 C4' DA B 5 25.824 12.626 8.063 1.00 27.76 C ATOM 631 O4' DA B 5 25.008 11.544 7.548 1.00 27.49 O ATOM 632 C3' DA B 5 26.633 13.125 6.876 1.00 28.90 C ATOM 633 O3' DA B 5 27.846 12.386 6.902 1.00 30.70 O ATOM 634 C2' DA B 5 25.709 12.806 5.700 1.00 28.16 C ATOM 635 C1' DA B 5 25.087 11.486 6.133 1.00 27.09 C ATOM 636 N9 DA B 5 23.710 11.232 5.721 1.00 25.82 N ATOM 637 C8 DA B 5 22.702 12.145 5.582 1.00 25.83 C ATOM 638 N7 DA B 5 21.556 11.606 5.235 1.00 26.24 N ATOM 639 C5 DA B 5 21.826 10.255 5.154 1.00 25.87 C ATOM 640 C6 DA B 5 21.021 9.136 4.831 1.00 26.68 C ATOM 641 N6 DA B 5 19.728 9.254 4.516 1.00 26.96 N ATOM 642 N1 DA B 5 21.603 7.909 4.832 1.00 26.59 N ATOM 643 C2 DA B 5 22.904 7.813 5.156 1.00 26.45 C ATOM 644 N3 DA B 5 23.759 8.795 5.485 1.00 26.64 N ATOM 645 C4 DA B 5 23.153 9.999 5.462 1.00 26.19 C ATOM 646 P DG B 6 29.021 12.590 5.832 1.00 31.71 P ATOM 647 OP1 DG B 6 30.272 12.119 6.476 1.00 32.27 O ATOM 648 OP2 DG B 6 28.917 13.953 5.271 1.00 32.09 O ATOM 649 O5' DG B 6 28.635 11.490 4.737 1.00 32.66 O ATOM 650 C5' DG B 6 28.691 10.105 5.091 1.00 32.70 C ATOM 651 C4' DG B 6 28.083 9.238 4.009 1.00 34.27 C ATOM 652 O4' DG B 6 26.693 9.602 3.828 1.00 33.98 O ATOM 653 C3' DG B 6 28.759 9.365 2.646 1.00 34.75 C ATOM 654 O3' DG B 6 29.246 8.074 2.249 1.00 37.00 O ATOM 655 C2' DG B 6 27.669 9.927 1.725 1.00 34.21 C ATOM 656 C1' DG B 6 26.370 9.582 2.453 1.00 31.89 C ATOM 657 N9 DG B 6 25.264 10.528 2.293 1.00 31.26 N ATOM 658 C8 DG B 6 25.347 11.897 2.362 1.00 30.29 C ATOM 659 N7 DG B 6 24.207 12.499 2.203 1.00 30.72 N ATOM 660 C5 DG B 6 23.293 11.466 2.026 1.00 30.08 C ATOM 661 C6 DG B 6 21.890 11.513 1.811 1.00 30.13 C ATOM 662 O6 DG B 6 21.154 12.505 1.732 1.00 30.33 O ATOM 663 N1 DG B 6 21.341 10.238 1.676 1.00 30.76 N ATOM 664 C2 DG B 6 22.048 9.062 1.748 1.00 30.80 C ATOM 665 N2 DG B 6 21.323 7.939 1.604 1.00 30.76 N ATOM 666 N3 DG B 6 23.367 9.002 1.955 1.00 30.36 N ATOM 667 C4 DG B 6 23.925 10.238 2.085 1.00 30.26 C ATOM 668 P DC B 7 30.010 7.821 0.855 1.00 38.08 P ATOM 669 OP1 DC B 7 30.924 6.675 1.077 1.00 38.70 O ATOM 670 OP2 DC B 7 30.527 9.099 0.312 1.00 36.56 O ATOM 671 O5' DC B 7 28.810 7.316 -0.067 1.00 35.80 O ATOM 672 C5' DC B 7 28.064 6.179 0.344 1.00 34.47 C ATOM 673 C4' DC B 7 26.864 6.008 -0.559 1.00 33.36 C ATOM 674 O4' DC B 7 25.951 7.108 -0.334 1.00 31.90 O ATOM 675 C3' DC B 7 27.188 6.016 -2.055 1.00 33.37 C ATOM 676 O3' DC B 7 26.506 4.930 -2.644 1.00 34.18 O ATOM 677 C2' DC B 7 26.659 7.367 -2.539 1.00 31.39 C ATOM 678 C1' DC B 7 25.466 7.507 -1.598 1.00 30.10 C ATOM 679 N1 DC B 7 24.863 8.868 -1.500 1.00 28.48 N ATOM 680 C2 DC B 7 23.465 8.983 -1.584 1.00 27.77 C ATOM 681 O2 DC B 7 22.779 7.958 -1.734 1.00 28.80 O ATOM 682 N3 DC B 7 22.914 10.222 -1.501 1.00 27.88 N ATOM 683 C4 DC B 7 23.696 11.297 -1.336 1.00 27.89 C ATOM 684 N4 DC B 7 23.120 12.499 -1.250 1.00 28.58 N ATOM 685 C5 DC B 7 25.118 11.196 -1.241 1.00 28.05 C ATOM 686 C6 DC B 7 25.652 9.974 -1.331 1.00 27.54 C ATOM 687 P DG B 8 26.830 4.464 -4.144 1.00 35.13 P ATOM 688 OP1 DG B 8 26.333 3.077 -4.261 1.00 35.57 O ATOM 689 OP2 DG B 8 28.235 4.806 -4.471 1.00 35.27 O ATOM 690 O5' DG B 8 25.875 5.421 -5.003 1.00 33.72 O ATOM 691 C5' DG B 8 24.463 5.382 -4.835 1.00 32.73 C ATOM 692 C4' DG B 8 23.830 6.541 -5.580 1.00 31.43 C ATOM 693 O4' DG B 8 24.144 7.780 -4.893 1.00 29.91 O ATOM 694 C3' DG B 8 24.325 6.730 -7.015 1.00 31.62 C ATOM 695 O3' DG B 8 23.238 7.143 -7.816 1.00 33.61 O ATOM 696 C2' DG B 8 25.322 7.869 -6.883 1.00 31.31 C ATOM 697 C1' DG B 8 24.555 8.709 -5.864 1.00 28.24 C ATOM 698 N9 DG B 8 25.314 9.822 -5.308 1.00 27.32 N ATOM 699 C8 DG B 8 26.672 9.900 -5.084 1.00 27.30 C ATOM 700 N7 DG B 8 27.054 11.052 -4.603 1.00 26.87 N ATOM 701 C5 DG B 8 25.875 11.790 -4.508 1.00 27.02 C ATOM 702 C6 DG B 8 25.645 13.113 -4.051 1.00 27.61 C ATOM 703 O6 DG B 8 26.467 13.933 -3.621 1.00 27.99 O ATOM 704 N1 DG B 8 24.291 13.470 -4.118 1.00 27.74 N ATOM 705 C2 DG B 8 23.290 12.637 -4.576 1.00 27.21 C ATOM 706 N2 DG B 8 22.040 13.129 -4.580 1.00 27.62 N ATOM 707 N3 DG B 8 23.490 11.400 -5.006 1.00 26.57 N ATOM 708 C4 DG B 8 24.800 11.042 -4.944 1.00 26.91 C ATOM 709 P DT B 9 23.122 6.741 -9.362 1.00 33.98 P ATOM 710 OP1 DT B 9 23.208 5.271 -9.479 1.00 33.68 O ATOM 711 OP2 DT B 9 24.040 7.627 -10.114 1.00 33.18 O ATOM 712 O5' DT B 9 21.608 7.172 -9.663 1.00 31.18 O ATOM 713 C5' DT B 9 20.566 6.712 -8.784 1.00 29.10 C ATOM 714 C4' DT B 9 19.452 7.742 -8.690 1.00 27.07 C ATOM 715 O4' DT B 9 19.930 8.939 -8.028 1.00 26.33 O ATOM 716 C3' DT B 9 18.912 8.200 -10.045 1.00 27.13 C ATOM 717 O3' DT B 9 17.520 8.420 -9.982 1.00 27.86 O ATOM 718 C2' DT B 9 19.649 9.514 -10.300 1.00 26.53 C ATOM 719 C1' DT B 9 19.747 10.059 -8.877 1.00 25.67 C ATOM 720 N1 DT B 9 20.844 11.046 -8.612 1.00 25.55 N ATOM 721 C2 DT B 9 20.497 12.358 -8.325 1.00 25.04 C ATOM 722 O2 DT B 9 19.353 12.784 -8.284 1.00 25.69 O ATOM 723 N3 DT B 9 21.543 13.197 -8.075 1.00 25.50 N ATOM 724 C4 DT B 9 22.888 12.869 -8.080 1.00 24.87 C ATOM 725 O4 DT B 9 23.746 13.714 -7.830 1.00 26.42 O ATOM 726 C5 DT B 9 23.190 11.489 -8.386 1.00 24.78 C ATOM 727 C7 DT B 9 24.614 11.087 -8.635 1.00 25.85 C ATOM 728 C6 DT B 9 22.173 10.641 -8.623 1.00 23.63 C ATOM 729 P DT B 10 16.468 7.216 -10.132 1.00 30.29 P ATOM 730 OP1 DT B 10 16.558 6.340 -8.927 1.00 32.53 O ATOM 731 OP2 DT B 10 16.633 6.620 -11.483 1.00 30.67 O ATOM 732 O5' DT B 10 15.083 8.013 -10.048 1.00 30.47 O ATOM 733 C5' DT B 10 14.731 8.771 -8.874 1.00 30.39 C ATOM 734 C4' DT B 10 13.406 9.492 -9.058 1.00 29.54 C ATOM 735 O4' DT B 10 13.599 10.539 -10.047 1.00 28.56 O ATOM 736 C3' DT B 10 12.253 8.627 -9.563 1.00 30.32 C ATOM 737 O3' DT B 10 11.445 8.154 -8.482 1.00 33.69 O ATOM 738 C2' DT B 10 11.459 9.563 -10.467 1.00 28.35 C ATOM 739 C1' DT B 10 12.505 10.569 -10.942 1.00 25.31 C ATOM 740 N1 DT B 10 13.020 10.332 -12.343 1.00 23.32 N ATOM 741 C2 DT B 10 13.020 11.399 -13.223 1.00 23.63 C ATOM 742 O2 DT B 10 12.640 12.526 -12.937 1.00 23.22 O ATOM 743 N3 DT B 10 13.516 11.100 -14.474 1.00 21.66 N ATOM 744 C4 DT B 10 13.979 9.867 -14.913 1.00 23.02 C ATOM 745 O4 DT B 10 14.394 9.700 -16.054 1.00 20.18 O ATOM 746 C5 DT B 10 13.946 8.795 -13.944 1.00 22.61 C ATOM 747 C7 DT B 10 14.529 7.454 -14.283 1.00 22.80 C ATOM 748 C6 DT B 10 13.473 9.076 -12.719 1.00 23.28 C TER 749 DT B 10 HETATM 750 P PO4 B 11 12.859 24.089 21.419 1.00 35.77 P HETATM 751 O1 PO4 B 11 11.397 23.986 21.072 1.00 36.40 O HETATM 752 O2 PO4 B 11 13.023 23.780 22.899 1.00 34.33 O HETATM 753 O3 PO4 B 11 13.590 23.048 20.604 1.00 36.23 O HETATM 754 O4 PO4 B 11 13.352 25.484 21.075 1.00 34.85 O HETATM 755 O HOH A 1 29.873 21.007 29.241 1.00 39.18 O HETATM 756 O HOH A 2 18.940 1.076 31.018 1.00 38.25 O HETATM 757 O HOH A 3 28.482 21.180 31.481 0.50 20.88 O HETATM 758 O HOH A 4 15.644 -5.590 17.289 1.00 24.95 O HETATM 759 O HOH A 5 29.338 14.912 22.247 1.00 29.34 O HETATM 760 O HOH A 6 30.577 6.605 27.603 1.00 33.06 O HETATM 761 O HOH A 7 4.162 12.856 24.339 1.00 28.44 O HETATM 762 O HOH A 8 20.437 7.927 13.394 1.00 29.76 O HETATM 763 O HOH A 9 23.832 21.947 26.516 1.00 27.70 O HETATM 764 O HOH A 10 28.518 24.176 19.063 1.00 25.96 O HETATM 765 O HOH A 11 23.154 7.038 30.912 1.00 28.00 O HETATM 766 O HOH A 12 30.292 18.531 29.525 1.00 41.65 O HETATM 767 O HOH A 13 30.565 12.010 22.373 1.00 39.33 O HETATM 768 O HOH A 14 26.447 22.572 27.285 1.00 32.23 O HETATM 769 O HOH A 16 11.876 3.832 32.703 1.00 37.16 O HETATM 770 O HOH A 17 28.012 15.289 12.449 1.00 28.92 O HETATM 771 O HOH A 18 7.845 18.670 16.689 1.00 33.69 O HETATM 772 O HOH A 19 23.843 24.001 18.129 1.00 37.14 O HETATM 773 O HOH A 20 28.510 19.010 13.554 1.00 33.52 O HETATM 774 O HOH A 21 12.055 22.480 27.660 1.00 22.05 O HETATM 775 O HOH A 23 31.190 0.519 28.830 1.00 35.67 O HETATM 776 O HOH A 24 28.821 20.777 26.899 1.00 23.54 O HETATM 777 O HOH A 25 23.066 7.252 13.607 1.00 25.21 O HETATM 778 O HOH A 26 22.017 19.797 37.617 1.00 25.69 O HETATM 779 O HOH A 27 10.321 21.823 31.336 0.25 25.31 O HETATM 780 O HOH A 28 29.119 11.790 35.311 1.00 49.51 O HETATM 781 O HOH A 29 11.036 -1.792 22.520 1.00 22.09 O HETATM 782 O HOH A 30 8.500 -1.433 23.350 1.00 33.70 O HETATM 783 O HOH A 32 30.488 15.685 19.061 1.00 35.91 O HETATM 784 O HOH A 33 19.831 22.110 29.975 1.00 11.86 O HETATM 785 O HOH A 34 7.258 18.639 29.529 1.00 18.01 O HETATM 786 O HOH A 35 26.750 17.274 19.054 1.00 17.51 O HETATM 787 O HOH A 36 12.927 21.689 31.514 0.50 21.05 O HETATM 788 O HOH A 37 19.398 8.103 15.778 1.00 21.15 O HETATM 789 O HOH A 38 11.544 0.778 21.059 1.00 18.11 O HETATM 790 O HOH A 39 25.505 16.574 21.310 1.00 14.20 O HETATM 791 O HOH A 40 6.067 9.249 29.156 1.00 19.14 O HETATM 792 O HOH A 41 22.256 21.467 28.829 1.00 12.49 O HETATM 793 O HOH A 42 3.705 10.832 27.083 1.00 23.23 O HETATM 794 O HOH A 43 23.884 21.720 31.643 0.50 14.96 O HETATM 795 O HOH A 44 11.411 9.322 32.459 1.00 19.14 O HETATM 796 O HOH A 45 12.715 7.401 34.227 1.00 24.52 O HETATM 797 O HOH A 46 29.767 5.880 23.035 1.00 24.06 O HETATM 798 O HOH A 47 29.732 9.280 21.502 1.00 25.27 O HETATM 799 O HOH A 48 11.679 -3.922 20.787 1.00 25.69 O HETATM 800 O HOH A 49 21.443 9.936 34.196 1.00 31.00 O HETATM 801 O HOH A 50 26.745 14.863 23.490 1.00 21.34 O HETATM 802 O HOH A 52 18.994 -2.467 19.763 1.00 40.80 O HETATM 803 O HOH A 54 20.589 12.517 36.878 1.00 29.52 O HETATM 804 O HOH A 57 27.136 16.079 33.112 1.00 48.43 O HETATM 805 O HOH A 58 10.875 9.852 13.401 1.00 43.34 O HETATM 806 O HOH A 59 9.680 11.858 15.498 1.00 43.19 O HETATM 807 O HOH A 60 31.448 10.948 29.486 1.00 41.59 O HETATM 808 O HOH A 61 8.023 3.295 26.742 1.00 42.03 O HETATM 809 O HOH A 62 29.520 9.049 18.858 1.00 44.95 O HETATM 810 O HOH A 63 8.468 6.065 26.181 1.00 31.19 O HETATM 811 O HOH A 64 28.755 4.906 29.922 1.00 51.58 O HETATM 812 O HOH A 65 2.832 6.610 22.474 1.00 40.13 O HETATM 813 O HOH A 66 26.202 18.670 12.357 1.00 40.20 O HETATM 814 O HOH A 67 17.482 6.991 34.301 1.00 44.58 O HETATM 815 O HOH A 68 9.773 1.849 13.809 1.00 41.74 O HETATM 816 O HOH A 69 28.192 14.742 35.191 1.00 44.27 O HETATM 817 O HOH A 70 27.531 7.833 17.651 1.00 41.93 O HETATM 818 O HOH A 71 8.861 -0.292 25.705 1.00 40.38 O HETATM 819 O HOH A 72 10.321 2.267 31.336 0.50 42.53 O HETATM 820 O HOH A 73 22.556 3.677 9.995 1.00 66.62 O HETATM 821 O HOH A 74 12.892 -0.400 31.507 1.00 40.69 O HETATM 822 O HOH A 75 24.011 4.847 31.989 1.00 40.38 O HETATM 823 O HOH A 76 4.075 -0.749 19.719 1.00 53.12 O HETATM 824 O HOH A 77 26.466 5.368 34.157 1.00 42.01 O HETATM 825 O HOH A 78 21.580 6.132 32.642 1.00 45.18 O HETATM 826 O HOH A 79 2.209 9.176 23.218 1.00 43.01 O HETATM 827 O HOH A 80 18.746 8.924 35.754 1.00 35.74 O HETATM 828 O HOH A 81 22.445 2.766 32.743 1.00 46.84 O HETATM 829 O HOH A 82 23.322 2.027 13.662 1.00 46.71 O HETATM 830 O HOH A 83 8.706 -2.643 27.845 1.00 48.18 O HETATM 831 O HOH A 84 18.362 11.288 37.484 1.00 37.93 O HETATM 832 O HOH A 86 30.542 22.130 25.364 0.50 23.64 O HETATM 833 O HOH A 87 12.743 1.661 14.129 1.00 38.28 O HETATM 834 O HOH A 88 10.907 6.870 11.986 1.00 45.58 O HETATM 835 O HOH A 89 18.268 5.934 12.835 1.00 37.37 O HETATM 836 O HOH A 92 23.547 17.601 38.862 1.00 59.66 O HETATM 837 O HOH A 95 27.604 25.035 30.473 1.00 58.64 O HETATM 838 O HOH A 96 26.308 22.643 30.379 1.00 34.18 O HETATM 839 O HOH A 97 15.357 -3.752 15.115 1.00 47.82 O HETATM 840 O HOH A 98 23.896 14.920 39.217 1.00 52.44 O HETATM 841 O HOH A 100 32.857 9.972 22.338 1.00 52.28 O HETATM 842 O HOH A 101 24.144 12.422 38.063 1.00 49.15 O HETATM 843 O HOH A 102 26.178 24.952 16.102 1.00 55.00 O HETATM 844 O HOH A 103 31.238 10.099 15.589 1.00 54.34 O HETATM 845 O HOH A 104 31.018 8.121 13.995 1.00 49.70 O HETATM 846 O HOH A 105 20.642 0.000 21.735 0.50 58.50 O HETATM 847 O HOH A 107 8.812 13.842 11.557 1.00 45.13 O HETATM 848 O HOH A 108 9.742 0.730 10.629 1.00 68.09 O HETATM 849 O HOH A 109 9.244 -3.081 16.193 1.00 53.94 O HETATM 850 O HOH A 110 7.898 -3.310 18.524 1.00 54.27 O HETATM 851 O HOH A 111 35.752 11.584 21.748 1.00 48.45 O HETATM 852 O HOH A 112 8.588 9.410 9.507 1.00 51.81 O HETATM 853 O HOH A 113 23.846 9.930 35.700 1.00 53.31 O HETATM 854 O HOH A 114 38.417 11.503 22.001 1.00 76.47 O HETATM 855 O HOH A 116 14.806 0.263 32.990 1.00 41.92 O HETATM 856 O HOH B 15 24.841 14.583 -0.762 1.00 44.54 O HETATM 857 O HOH B 22 30.256 11.581 -4.732 1.00 44.34 O HETATM 858 O HOH B 31 28.804 7.412 -5.919 1.00 46.99 O HETATM 859 O HOH B 51 22.402 16.821 -3.322 1.00 49.77 O HETATM 860 O HOH B 53 20.539 5.016 5.127 1.00 43.98 O HETATM 861 O HOH B 55 20.600 15.603 -6.972 1.00 37.03 O HETATM 862 O HOH B 56 30.339 12.991 9.119 1.00 44.07 O HETATM 863 O HOH B 85 26.732 7.383 -10.381 1.00 49.65 O HETATM 864 O HOH B 90 29.033 15.051 9.849 1.00 57.17 O HETATM 865 O HOH B 91 19.286 4.633 0.247 1.00 60.29 O HETATM 866 O HOH B 93 15.556 26.871 21.471 1.00 30.52 O HETATM 867 O HOH B 94 10.321 21.822 20.667 0.50 29.97 O HETATM 868 O HOH B 99 29.919 8.720 -3.576 1.00 49.17 O HETATM 869 O HOH B 106 13.953 11.076 10.771 1.00 39.61 O HETATM 870 O HOH B 115 27.467 14.758 3.222 1.00 43.73 O CONECT 750 751 752 753 754 CONECT 751 750 CONECT 752 750 CONECT 753 750 CONECT 754 750 MASTER 358 0 1 2 5 0 2 6 868 2 5 8 END
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10-mer
5zva
RCSB PDB
PDBbind
10-mer
6kbs
RCSB PDB
PDBbind
10-mer
6iir
RCSB PDB
PDBbind
10-mer
5zc9
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
3d2w
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
mouse TAR DNA-binding protein 43(TDP-43) RRM2 domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=137.5nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Nucleic Acids Res. Vol. 37: pp. 1799-1808
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):
Q921F2
Entrez Gene ID
NCBI Entrez Gene ID:
230908
ASD
Information of known allosteric effects of PDB entries
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