Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 15-DEC-09 3L2C TITLE CRYSTAL STRUCTURE OF THE DNA BINDING DOMAIN OF FOXO4 BOUND TO DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: FOXO CONSENSUS BINDING SEQUENCE, PLUS STRAND; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: FOXO CONSENSUS BINDING SEQUENCE, MINUS STRAND; COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: FORKHEAD BOX PROTEIN O4; COMPND 11 CHAIN: A; COMPND 12 FRAGMENT: DNA BINDING DOMAIN, UNP RESIDUES 86-187; COMPND 13 SYNONYM: FORKHEAD TRANSCRIPTION FACTOR FOXO4, FORK HEAD DOMAIN COMPND 14 TRANSCRIPTION FACTOR AFX1; COMPND 15 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC DNA; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: SYNTHETIC DNA; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_COMMON: HUMAN; SOURCE 10 ORGANISM_TAXID: 9606; SOURCE 11 GENE: AFX, AFX1, FOXO4, MLLT7; SOURCE 12 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 13 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 14 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 15 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 16 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS FORKHEAD, FORKHEAD BOX, WINGED HELIX, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.BOURA,J.SILHAN,M.SULC,J.BRYNDA,V.OBSILOVA,T.OBSIL REVDAT 2 22-DEC-10 3L2C 1 JRNL REVDAT 1 29-DEC-09 3L2C 0 SPRSDE 29-DEC-09 3L2C 3BPY JRNL AUTH E.BOURA,L.REZABKOVA,J.BRYNDA,V.OBSILOVA,T.OBSIL JRNL TITL STRUCTURE OF THE HUMAN FOXO4-DBD-DNA COMPLEX AT 1.9 A JRNL TITL 2 RESOLUTION REVEALS NEW DETAILS OF FOXO BINDING TO THE DNA JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 66 1351 2010 JRNL REFN ISSN 0907-4449 JRNL PMID 21123876 JRNL DOI 10.1107/S0907444910042228 REMARK 2 REMARK 2 RESOLUTION. 1.87 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2 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) : 1.87 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 3 NUMBER OF REFLECTIONS : 16083 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) : 0.195 REMARK 3 R VALUE (WORKING SET) : 0.193 REMARK 3 FREE R VALUE : 0.228 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 807 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) : 1.87 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.92 REMARK 3 REFLECTION IN BIN (WORKING SET) : 997 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 89.21 REMARK 3 BIN R VALUE (WORKING SET) : 0.2350 REMARK 3 BIN FREE R VALUE SET COUNT : 45 REMARK 3 BIN FREE R VALUE : 0.2510 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 697 REMARK 3 NUCLEIC ACID ATOMS : 527 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 163 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.88 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.41000 REMARK 3 B22 (A**2) : 0.17000 REMARK 3 B33 (A**2) : 0.24000 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): 0.140 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.131 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.078 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.524 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.941 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1306 ; 0.013 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1874 ; 1.924 ; 2.431 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 84 ; 1.592 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 35 ;22.784 ;23.429 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 126 ; 6.870 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 5 ; 8.219 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 200 ; 0.109 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 807 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 478 ; 0.185 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 820 ; 0.300 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 140 ; 0.138 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 2 ; 0.039 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 38 ; 0.164 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 11 ; 0.175 ; 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): 437 ; 1.234 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 675 ; 1.874 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1164 ; 2.009 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1199 ; 2.829 ; 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 3L2C COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-DEC-09. REMARK 100 THE RCSB ID CODE IS RCSB056744. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-NOV-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.3 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : MIRROR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16135 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.868 REMARK 200 RESOLUTION RANGE LOW (A) : 65.938 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : 0.04400 REMARK 200 R SYM (I) : 0.04400 REMARK 200
FOR THE DATA SET : 12.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.87 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.96 REMARK 200 COMPLETENESS FOR SHELL (%) : 81.6 REMARK 200 DATA REDUNDANCY IN SHELL : 6.50 REMARK 200 R MERGE FOR SHELL (I) : 0.25100 REMARK 200 R SYM FOR SHELL (I) : 0.25100 REMARK 200
FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2UZK REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 48.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, MGCL2, PEG MME, PH 7.3, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 292K, VAPOR DIFFUSION, REMARK 280 HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 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 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 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 65.93000 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 65.93000 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 20.40500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 35.85000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 20.40500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 35.85000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 65.93000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 20.40500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 35.85000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 65.93000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 20.40500 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 35.85000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2870 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8650 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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 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 GLY A 74 REMARK 465 SER A 75 REMARK 465 HIS A 76 REMARK 465 MET A 77 REMARK 465 LEU A 78 REMARK 465 GLU A 79 REMARK 465 ASP A 80 REMARK 465 PRO A 81 REMARK 465 GLY A 82 REMARK 465 ALA A 83 REMARK 465 VAL A 84 REMARK 465 THR A 85 REMARK 465 GLY A 86 REMARK 465 PRO A 87 REMARK 465 ARG A 88 REMARK 465 LYS A 89 REMARK 465 GLY A 90 REMARK 465 GLY A 91 REMARK 465 SER A 92 REMARK 465 PRO A 178 REMARK 465 GLU A 179 REMARK 465 GLY A 180 REMARK 465 GLY A 181 REMARK 465 LYS A 182 REMARK 465 SER A 183 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 DA B 11 O3' DA B 11 C3' -0.044 REMARK 500 DC C 33 O3' DC C 33 C3' -0.041 REMARK 500 DT C 35 O3' DT C 35 C3' -0.049 REMARK 500 REMARK 500 REMARK: NULL 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 DT B 2 O4' - C1' - N1 ANGL. DEV. = -4.5 DEGREES REMARK 500 DC B 10 C1' - O4' - C4' ANGL. DEV. = -6.1 DEGREES REMARK 500 DC B 10 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC B 13 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG C 25 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DG C 28 C1' - O4' - C4' ANGL. DEV. = -6.4 DEGREES REMARK 500 DT C 30 O4' - C4' - C3' ANGL. DEV. = -3.8 DEGREES REMARK 500 DT C 30 C1' - O4' - C4' ANGL. DEV. = -6.8 DEGREES REMARK 500 DC C 33 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 THR A 168 -54.43 -29.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 THR A 168 24.2 L L OUTSIDE RANGE 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 2 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH C 71 O REMARK 620 2 HOH C 73 O 88.6 REMARK 620 3 HOH C 74 O 93.5 94.6 REMARK 620 4 DT C 35 OP1 84.9 88.9 176.1 REMARK 620 5 HOH C 70 O 94.6 174.7 89.4 87.1 REMARK 620 6 HOH C 72 O 176.9 93.8 88.2 93.3 82.9 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 1 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 LEU A 154 O REMARK 620 2 PHE A 160 O 107.2 REMARK 620 3 HOH C 60 O 93.8 107.6 REMARK 620 4 HIS A 157 O 86.9 83.1 168.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 2 DBREF 3L2C A 82 183 UNP P98177 FOXO4_HUMAN 86 187 DBREF 3L2C B 1 13 PDB 3L2C 3L2C 1 13 DBREF 3L2C C 25 37 PDB 3L2C 3L2C 25 37 SEQADV 3L2C GLY A 74 UNP P98177 EXPRESSION TAG SEQADV 3L2C SER A 75 UNP P98177 EXPRESSION TAG SEQADV 3L2C HIS A 76 UNP P98177 EXPRESSION TAG SEQADV 3L2C MET A 77 UNP P98177 EXPRESSION TAG SEQADV 3L2C LEU A 78 UNP P98177 EXPRESSION TAG SEQADV 3L2C GLU A 79 UNP P98177 EXPRESSION TAG SEQADV 3L2C ASP A 80 UNP P98177 EXPRESSION TAG SEQADV 3L2C PRO A 81 UNP P98177 EXPRESSION TAG SEQRES 1 B 13 DC DT DA DT DG DT DA DA DA DC DA DA DC SEQRES 1 C 13 DG DT DT DG DT DT DT DA DC DA DT DA DG SEQRES 1 A 110 GLY SER HIS MET LEU GLU ASP PRO GLY ALA VAL THR GLY SEQRES 2 A 110 PRO ARG LYS GLY GLY SER ARG ARG ASN ALA TRP GLY ASN SEQRES 3 A 110 GLN SER TYR ALA GLU LEU ILE SER GLN ALA ILE GLU SER SEQRES 4 A 110 ALA PRO GLU LYS ARG LEU THR LEU ALA GLN ILE TYR GLU SEQRES 5 A 110 TRP MET VAL ARG THR VAL PRO TYR PHE LYS ASP LYS GLY SEQRES 6 A 110 ASP SER ASN SER SER ALA GLY TRP LYS ASN SER ILE ARG SEQRES 7 A 110 HIS ASN LEU SER LEU HIS SER LYS PHE ILE LYS VAL HIS SEQRES 8 A 110 ASN GLU ALA THR GLY LYS SER SER TRP TRP MET LEU ASN SEQRES 9 A 110 PRO GLU GLY GLY LYS SER HET MG C 2 1 HET MG A 1 1 HETNAM MG MAGNESIUM ION FORMUL 4 MG 2(MG 2+) FORMUL 6 HOH *163(H2 O) HELIX 1 1 SER A 101 ALA A 113 1 13 HELIX 2 2 THR A 119 VAL A 131 1 13 HELIX 3 3 PRO A 132 LYS A 135 5 4 HELIX 4 4 ALA A 144 HIS A 157 1 14 SHEET 1 A 2 PHE A 160 VAL A 163 0 SHEET 2 A 2 TRP A 173 LEU A 176 -1 O TRP A 173 N VAL A 163 LINK MG MG C 2 O HOH C 71 1555 1555 1.94 LINK MG MG C 2 O HOH C 73 1555 1555 1.99 LINK MG MG C 2 O HOH C 74 1555 1555 2.04 LINK OP1 DT C 35 MG MG C 2 1555 1555 2.07 LINK MG MG C 2 O HOH C 70 1555 1555 2.16 LINK MG MG C 2 O HOH C 72 1555 1555 2.23 LINK O LEU A 154 MG MG A 1 1555 1555 2.43 LINK O PHE A 160 MG MG A 1 1555 1555 2.56 LINK MG MG A 1 O HOH C 60 1555 1555 2.66 LINK O HIS A 157 MG MG A 1 1555 1555 2.80 SITE 1 AC1 5 LEU A 154 SER A 155 HIS A 157 PHE A 160 SITE 2 AC1 5 HOH C 60 SITE 1 AC2 6 DT C 35 HOH C 70 HOH C 71 HOH C 72 SITE 2 AC2 6 HOH C 73 HOH C 74 CRYST1 40.810 71.700 131.860 90.00 90.00 90.00 C 2 2 21 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 0.024504 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013947 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007584 0.00000 ATOM 1 O5' DC B 1 -3.463 -9.874 -11.232 1.00 29.06 O ATOM 2 C5' DC B 1 -2.694 -8.753 -11.611 1.00 24.17 C ATOM 3 C4' DC B 1 -3.474 -7.852 -12.558 1.00 20.85 C ATOM 4 O4' DC B 1 -4.727 -7.455 -11.949 1.00 17.67 O ATOM 5 C3' DC B 1 -2.740 -6.563 -12.843 1.00 19.40 C ATOM 6 O3' DC B 1 -2.988 -6.308 -14.190 1.00 22.74 O ATOM 7 C2' DC B 1 -3.387 -5.546 -11.897 1.00 19.37 C ATOM 8 C1' DC B 1 -4.818 -6.040 -11.832 1.00 17.96 C ATOM 9 N1 DC B 1 -5.540 -5.758 -10.511 1.00 18.01 N ATOM 10 C2 DC B 1 -6.815 -5.173 -10.545 1.00 18.39 C ATOM 11 O2 DC B 1 -7.336 -4.858 -11.630 1.00 18.10 O ATOM 12 N3 DC B 1 -7.451 -4.947 -9.373 1.00 17.75 N ATOM 13 C4 DC B 1 -6.890 -5.319 -8.224 1.00 17.15 C ATOM 14 N4 DC B 1 -7.575 -5.073 -7.108 1.00 16.73 N ATOM 15 C5 DC B 1 -5.588 -5.904 -8.162 1.00 19.10 C ATOM 16 C6 DC B 1 -4.955 -6.117 -9.327 1.00 16.38 C ATOM 17 P DT B 2 -2.328 -5.108 -15.017 1.00 25.01 P ATOM 18 OP1 DT B 2 -2.132 -5.678 -16.386 1.00 22.84 O ATOM 19 OP2 DT B 2 -1.303 -4.429 -14.193 1.00 24.43 O ATOM 20 O5' DT B 2 -3.534 -4.071 -15.091 1.00 21.64 O ATOM 21 C5' DT B 2 -4.668 -4.371 -15.890 1.00 21.69 C ATOM 22 C4' DT B 2 -5.697 -3.258 -15.755 1.00 20.36 C ATOM 23 O4' DT B 2 -6.173 -3.171 -14.383 1.00 19.33 O ATOM 24 C3' DT B 2 -5.168 -1.878 -16.108 1.00 21.03 C ATOM 25 O3' DT B 2 -6.054 -1.383 -17.100 1.00 22.11 O ATOM 26 C2' DT B 2 -5.207 -1.082 -14.800 1.00 20.95 C ATOM 27 C1' DT B 2 -6.354 -1.797 -14.068 1.00 21.17 C ATOM 28 N1 DT B 2 -6.362 -1.781 -12.588 1.00 19.25 N ATOM 29 C2 DT B 2 -7.486 -1.422 -11.878 1.00 19.46 C ATOM 30 O2 DT B 2 -8.514 -1.038 -12.393 1.00 19.06 O ATOM 31 N3 DT B 2 -7.351 -1.501 -10.509 1.00 19.07 N ATOM 32 C4 DT B 2 -6.229 -1.909 -9.819 1.00 19.35 C ATOM 33 O4 DT B 2 -6.200 -1.954 -8.603 1.00 19.62 O ATOM 34 C5 DT B 2 -5.084 -2.277 -10.624 1.00 19.91 C ATOM 35 C7 DT B 2 -3.744 -2.594 -10.014 1.00 19.04 C ATOM 36 C6 DT B 2 -5.219 -2.210 -11.950 1.00 18.89 C ATOM 37 P DA B 3 -5.832 -0.004 -17.867 1.00 26.05 P ATOM 38 OP1 DA B 3 -6.339 -0.229 -19.242 1.00 27.05 O ATOM 39 OP2 DA B 3 -4.466 0.504 -17.597 1.00 24.75 O ATOM 40 O5' DA B 3 -6.839 0.978 -17.147 1.00 22.86 O ATOM 41 C5' DA B 3 -8.243 0.764 -17.190 1.00 22.17 C ATOM 42 C4' DA B 3 -8.952 1.792 -16.331 1.00 22.18 C ATOM 43 O4' DA B 3 -8.630 1.536 -14.944 1.00 21.42 O ATOM 44 C3' DA B 3 -8.537 3.240 -16.591 1.00 21.84 C ATOM 45 O3' DA B 3 -9.752 3.950 -16.822 1.00 22.40 O ATOM 46 C2' DA B 3 -7.806 3.678 -15.314 1.00 18.86 C ATOM 47 C1' DA B 3 -8.394 2.748 -14.258 1.00 19.85 C ATOM 48 N9 DA B 3 -7.523 2.366 -13.131 1.00 19.87 N ATOM 49 C8 DA B 3 -6.242 1.898 -13.179 1.00 19.42 C ATOM 50 N7 DA B 3 -5.716 1.609 -11.997 1.00 18.77 N ATOM 51 C5 DA B 3 -6.744 1.889 -11.124 1.00 19.29 C ATOM 52 C6 DA B 3 -6.850 1.801 -9.713 1.00 18.63 C ATOM 53 N6 DA B 3 -5.855 1.386 -8.956 1.00 19.50 N ATOM 54 N1 DA B 3 -7.994 2.168 -9.120 1.00 18.91 N ATOM 55 C2 DA B 3 -8.998 2.590 -9.892 1.00 19.45 C ATOM 56 N3 DA B 3 -9.026 2.711 -11.225 1.00 18.38 N ATOM 57 C4 DA B 3 -7.866 2.340 -11.790 1.00 18.59 C ATOM 58 P DT B 4 -9.779 5.488 -17.250 1.00 23.69 P ATOM 59 OP1 DT B 4 -11.075 5.707 -17.897 1.00 25.01 O ATOM 60 OP2 DT B 4 -8.459 5.850 -17.785 1.00 23.17 O ATOM 61 O5' DT B 4 -9.865 6.219 -15.806 1.00 20.80 O ATOM 62 C5' DT B 4 -10.942 6.024 -14.912 1.00 20.38 C ATOM 63 C4' DT B 4 -10.533 6.561 -13.544 1.00 18.90 C ATOM 64 O4' DT B 4 -9.454 5.773 -13.002 1.00 17.64 O ATOM 65 C3' DT B 4 -9.981 7.991 -13.550 1.00 17.45 C ATOM 66 O3' DT B 4 -11.073 8.834 -13.197 1.00 17.67 O ATOM 67 C2' DT B 4 -8.845 7.956 -12.528 1.00 17.72 C ATOM 68 C1' DT B 4 -8.948 6.556 -11.941 1.00 16.89 C ATOM 69 N1 DT B 4 -7.680 5.957 -11.449 1.00 15.85 N ATOM 70 C2 DT B 4 -7.582 5.687 -10.091 1.00 16.23 C ATOM 71 O2 DT B 4 -8.474 5.937 -9.287 1.00 15.94 O ATOM 72 N3 DT B 4 -6.390 5.128 -9.709 1.00 14.67 N ATOM 73 C4 DT B 4 -5.313 4.808 -10.510 1.00 15.12 C ATOM 74 O4 DT B 4 -4.284 4.314 -10.073 1.00 16.79 O ATOM 75 C5 DT B 4 -5.471 5.108 -11.918 1.00 16.28 C ATOM 76 C7 DT B 4 -4.303 4.908 -12.844 1.00 19.32 C ATOM 77 C6 DT B 4 -6.636 5.648 -12.323 1.00 16.45 C ATOM 78 P DG B 5 -11.003 10.410 -13.056 1.00 17.16 P ATOM 79 OP1 DG B 5 -12.408 10.822 -13.230 1.00 18.83 O ATOM 80 OP2 DG B 5 -9.909 10.946 -13.883 1.00 17.21 O ATOM 81 O5' DG B 5 -10.561 10.592 -11.528 1.00 16.81 O ATOM 82 C5' DG B 5 -11.493 10.176 -10.493 1.00 18.10 C ATOM 83 C4' DG B 5 -10.903 10.457 -9.121 1.00 18.53 C ATOM 84 O4' DG B 5 -9.761 9.591 -8.960 1.00 17.87 O ATOM 85 C3' DG B 5 -10.428 11.883 -8.919 1.00 20.83 C ATOM 86 O3' DG B 5 -10.995 12.315 -7.676 1.00 23.71 O ATOM 87 C2' DG B 5 -8.895 11.771 -8.864 1.00 17.67 C ATOM 88 C1' DG B 5 -8.719 10.317 -8.393 1.00 17.47 C ATOM 89 N9 DG B 5 -7.496 9.625 -8.772 1.00 17.49 N ATOM 90 C8 DG B 5 -7.005 9.463 -10.046 1.00 18.04 C ATOM 91 N7 DG B 5 -5.891 8.801 -10.100 1.00 17.10 N ATOM 92 C5 DG B 5 -5.604 8.491 -8.773 1.00 17.28 C ATOM 93 C6 DG B 5 -4.509 7.765 -8.213 1.00 17.18 C ATOM 94 O6 DG B 5 -3.533 7.242 -8.785 1.00 17.61 O ATOM 95 N1 DG B 5 -4.592 7.679 -6.832 1.00 17.38 N ATOM 96 C2 DG B 5 -5.636 8.216 -6.084 1.00 17.10 C ATOM 97 N2 DG B 5 -5.559 8.042 -4.770 1.00 16.32 N ATOM 98 N3 DG B 5 -6.674 8.892 -6.593 1.00 16.57 N ATOM 99 C4 DG B 5 -6.592 8.996 -7.940 1.00 16.74 C ATOM 100 P DT B 6 -10.840 13.808 -7.131 1.00 25.51 P ATOM 101 OP1 DT B 6 -12.054 14.071 -6.314 1.00 28.14 O ATOM 102 OP2 DT B 6 -10.396 14.736 -8.179 1.00 27.05 O ATOM 103 O5' DT B 6 -9.587 13.654 -6.124 1.00 25.56 O ATOM 104 C5' DT B 6 -9.635 12.735 -5.043 1.00 21.84 C ATOM 105 C4' DT B 6 -8.286 12.723 -4.347 1.00 19.48 C ATOM 106 O4' DT B 6 -7.372 12.043 -5.223 1.00 18.27 O ATOM 107 C3' DT B 6 -7.649 14.082 -4.120 1.00 19.73 C ATOM 108 O3' DT B 6 -7.613 14.340 -2.715 1.00 22.69 O ATOM 109 C2' DT B 6 -6.236 13.975 -4.707 1.00 15.83 C ATOM 110 C1' DT B 6 -6.061 12.481 -4.894 1.00 18.23 C ATOM 111 N1 DT B 6 -5.185 12.021 -6.000 1.00 18.10 N ATOM 112 C2 DT B 6 -4.098 11.226 -5.695 1.00 16.51 C ATOM 113 O2 DT B 6 -3.804 10.888 -4.565 1.00 18.32 O ATOM 114 N3 DT B 6 -3.363 10.823 -6.762 1.00 16.14 N ATOM 115 C4 DT B 6 -3.592 11.147 -8.088 1.00 16.31 C ATOM 116 O4 DT B 6 -2.838 10.725 -8.941 1.00 18.22 O ATOM 117 C5 DT B 6 -4.737 11.986 -8.370 1.00 16.78 C ATOM 118 C7 DT B 6 -5.064 12.442 -9.777 1.00 11.44 C ATOM 119 C6 DT B 6 -5.490 12.378 -7.318 1.00 16.02 C ATOM 120 P DA B 7 -7.002 15.695 -2.142 1.00 23.21 P ATOM 121 OP1 DA B 7 -7.653 15.862 -0.811 1.00 25.20 O ATOM 122 OP2 DA B 7 -7.021 16.831 -3.094 1.00 24.10 O ATOM 123 O5' DA B 7 -5.479 15.337 -1.881 1.00 22.46 O ATOM 124 C5' DA B 7 -5.173 14.225 -1.058 1.00 21.65 C ATOM 125 C4' DA B 7 -3.669 14.084 -0.929 1.00 20.41 C ATOM 126 O4' DA B 7 -3.173 13.417 -2.120 1.00 22.29 O ATOM 127 C3' DA B 7 -2.881 15.381 -0.769 1.00 22.99 C ATOM 128 O3' DA B 7 -2.092 15.260 0.432 1.00 25.87 O ATOM 129 C2' DA B 7 -1.991 15.451 -2.027 1.00 20.38 C ATOM 130 C1' DA B 7 -1.922 13.989 -2.470 1.00 17.74 C ATOM 131 N9 DA B 7 -1.717 13.754 -3.906 1.00 16.51 N ATOM 132 C8 DA B 7 -2.504 14.232 -4.946 1.00 14.96 C ATOM 133 N7 DA B 7 -2.057 13.869 -6.139 1.00 15.72 N ATOM 134 C5 DA B 7 -0.947 13.064 -5.855 1.00 14.76 C ATOM 135 C6 DA B 7 -0.036 12.364 -6.678 1.00 16.15 C ATOM 136 N6 DA B 7 -0.108 12.337 -8.033 1.00 15.37 N ATOM 137 N1 DA B 7 0.968 11.683 -6.062 1.00 16.92 N ATOM 138 C2 DA B 7 1.062 11.700 -4.709 1.00 15.11 C ATOM 139 N3 DA B 7 0.270 12.340 -3.848 1.00 15.82 N ATOM 140 C4 DA B 7 -0.727 12.997 -4.482 1.00 15.73 C ATOM 141 P DA B 8 -1.251 16.496 0.975 1.00 26.37 P ATOM 142 OP1 DA B 8 -1.199 16.210 2.437 1.00 30.76 O ATOM 143 OP2 DA B 8 -1.706 17.800 0.534 1.00 27.16 O ATOM 144 O5' DA B 8 0.226 16.228 0.434 1.00 24.85 O ATOM 145 C5' DA B 8 0.836 14.964 0.660 1.00 23.36 C ATOM 146 C4' DA B 8 2.100 14.866 -0.180 1.00 23.53 C ATOM 147 O4' DA B 8 1.735 14.607 -1.564 1.00 20.21 O ATOM 148 C3' DA B 8 2.993 16.110 -0.202 1.00 23.64 C ATOM 149 O3' DA B 8 4.315 15.677 -0.066 1.00 27.25 O ATOM 150 C2' DA B 8 2.823 16.623 -1.637 1.00 21.51 C ATOM 151 C1' DA B 8 2.634 15.288 -2.364 1.00 16.88 C ATOM 152 N9 DA B 8 2.048 15.475 -3.696 1.00 16.58 N ATOM 153 C8 DA B 8 0.997 16.318 -4.039 1.00 15.88 C ATOM 154 N7 DA B 8 0.729 16.281 -5.328 1.00 16.12 N ATOM 155 C5 DA B 8 1.665 15.386 -5.829 1.00 15.11 C ATOM 156 C6 DA B 8 1.935 14.925 -7.137 1.00 15.05 C ATOM 157 N6 DA B 8 1.221 15.342 -8.211 1.00 13.73 N ATOM 158 N1 DA B 8 2.932 14.038 -7.309 1.00 14.23 N ATOM 159 C2 DA B 8 3.654 13.622 -6.248 1.00 15.45 C ATOM 160 N3 DA B 8 3.494 13.985 -4.975 1.00 14.74 N ATOM 161 C4 DA B 8 2.485 14.879 -4.828 1.00 16.24 C ATOM 162 P DA B 9 5.426 16.576 0.644 1.00 27.68 P ATOM 163 OP1 DA B 9 5.418 16.152 2.055 1.00 30.55 O ATOM 164 OP2 DA B 9 5.254 18.017 0.359 1.00 31.81 O ATOM 165 O5' DA B 9 6.726 15.982 -0.052 1.00 25.52 O ATOM 166 C5' DA B 9 6.914 14.562 -0.180 1.00 21.87 C ATOM 167 C4' DA B 9 7.932 14.244 -1.254 1.00 21.55 C ATOM 168 O4' DA B 9 7.304 14.324 -2.566 1.00 19.99 O ATOM 169 C3' DA B 9 9.134 15.193 -1.304 1.00 21.59 C ATOM 170 O3' DA B 9 10.305 14.435 -1.640 1.00 22.94 O ATOM 171 C2' DA B 9 8.719 16.232 -2.364 1.00 19.18 C ATOM 172 C1' DA B 9 7.932 15.342 -3.324 1.00 17.70 C ATOM 173 N9 DA B 9 6.876 15.989 -4.106 1.00 17.45 N ATOM 174 C8 DA B 9 5.884 16.820 -3.675 1.00 17.31 C ATOM 175 N7 DA B 9 5.092 17.219 -4.645 1.00 15.95 N ATOM 176 C5 DA B 9 5.596 16.610 -5.773 1.00 16.71 C ATOM 177 C6 DA B 9 5.184 16.641 -7.127 1.00 15.48 C ATOM 178 N6 DA B 9 4.138 17.347 -7.516 1.00 14.49 N ATOM 179 N1 DA B 9 5.900 15.925 -8.024 1.00 15.42 N ATOM 180 C2 DA B 9 6.962 15.220 -7.571 1.00 17.63 C ATOM 181 N3 DA B 9 7.443 15.115 -6.319 1.00 15.77 N ATOM 182 C4 DA B 9 6.698 15.842 -5.465 1.00 16.57 C ATOM 183 P DC B 10 11.757 15.098 -1.456 1.00 25.81 P ATOM 184 OP1 DC B 10 12.686 13.957 -1.454 1.00 25.61 O ATOM 185 OP2 DC B 10 11.757 16.138 -0.412 1.00 22.42 O ATOM 186 O5' DC B 10 11.977 15.884 -2.832 1.00 24.74 O ATOM 187 C5' DC B 10 12.187 15.079 -3.982 1.00 25.37 C ATOM 188 C4' DC B 10 12.048 15.984 -5.174 1.00 25.57 C ATOM 189 O4' DC B 10 10.681 16.424 -5.258 1.00 23.59 O ATOM 190 C3' DC B 10 12.843 17.271 -5.053 1.00 27.22 C ATOM 191 O3' DC B 10 14.075 16.975 -5.694 1.00 33.11 O ATOM 192 C2' DC B 10 11.961 18.319 -5.738 1.00 27.51 C ATOM 193 C1' DC B 10 10.726 17.505 -6.147 1.00 21.71 C ATOM 194 N1 DC B 10 9.388 18.213 -6.192 1.00 20.69 N ATOM 195 C2 DC B 10 8.748 18.248 -7.438 1.00 17.24 C ATOM 196 O2 DC B 10 9.334 17.721 -8.380 1.00 20.08 O ATOM 197 N3 DC B 10 7.547 18.872 -7.564 1.00 17.07 N ATOM 198 C4 DC B 10 6.969 19.433 -6.494 1.00 16.26 C ATOM 199 N4 DC B 10 5.784 20.057 -6.642 1.00 17.84 N ATOM 200 C5 DC B 10 7.609 19.395 -5.210 1.00 19.22 C ATOM 201 C6 DC B 10 8.794 18.776 -5.110 1.00 16.62 C ATOM 202 P DA B 11 15.216 18.046 -6.015 1.00 32.74 P ATOM 203 OP1 DA B 11 16.431 17.205 -6.024 1.00 35.17 O ATOM 204 OP2 DA B 11 15.084 19.323 -5.300 1.00 32.34 O ATOM 205 O5' DA B 11 14.891 18.478 -7.525 1.00 28.29 O ATOM 206 C5' DA B 11 14.863 17.563 -8.588 1.00 22.12 C ATOM 207 C4' DA B 11 14.474 18.328 -9.850 1.00 18.96 C ATOM 208 O4' DA B 11 13.116 18.792 -9.766 1.00 19.84 O ATOM 209 C3' DA B 11 15.281 19.600 -10.083 1.00 17.14 C ATOM 210 O3' DA B 11 15.771 19.526 -11.366 1.00 20.16 O ATOM 211 C2' DA B 11 14.299 20.775 -9.919 1.00 15.92 C ATOM 212 C1' DA B 11 12.957 20.119 -10.215 1.00 15.88 C ATOM 213 N9 DA B 11 11.782 20.661 -9.499 1.00 15.51 N ATOM 214 C8 DA B 11 11.625 20.783 -8.132 1.00 15.46 C ATOM 215 N7 DA B 11 10.453 21.282 -7.784 1.00 14.30 N ATOM 216 C5 DA B 11 9.773 21.461 -8.984 1.00 15.09 C ATOM 217 C6 DA B 11 8.485 21.932 -9.275 1.00 14.21 C ATOM 218 N6 DA B 11 7.623 22.327 -8.330 1.00 15.09 N ATOM 219 N1 DA B 11 8.110 22.008 -10.569 1.00 15.15 N ATOM 220 C2 DA B 11 8.991 21.603 -11.503 1.00 15.33 C ATOM 221 N3 DA B 11 10.234 21.135 -11.338 1.00 14.77 N ATOM 222 C4 DA B 11 10.572 21.081 -10.045 1.00 15.77 C ATOM 223 P DA B 12 16.903 20.562 -11.905 1.00 19.64 P ATOM 224 OP1 DA B 12 17.526 19.756 -12.965 1.00 18.89 O ATOM 225 OP2 DA B 12 17.619 21.193 -10.799 1.00 20.62 O ATOM 226 O5' DA B 12 16.042 21.723 -12.575 1.00 20.47 O ATOM 227 C5' DA B 12 15.156 21.403 -13.605 1.00 16.85 C ATOM 228 C4' DA B 12 14.239 22.577 -13.921 1.00 17.66 C ATOM 229 O4' DA B 12 13.222 22.673 -12.898 1.00 15.93 O ATOM 230 C3' DA B 12 14.920 23.940 -14.013 1.00 18.33 C ATOM 231 O3' DA B 12 14.782 24.387 -15.376 1.00 20.00 O ATOM 232 C2' DA B 12 14.200 24.803 -12.970 1.00 17.68 C ATOM 233 C1' DA B 12 12.884 24.022 -12.786 1.00 13.69 C ATOM 234 N9 DA B 12 12.249 24.222 -11.494 1.00 14.52 N ATOM 235 C8 DA B 12 12.821 24.122 -10.243 1.00 12.68 C ATOM 236 N7 DA B 12 11.959 24.402 -9.281 1.00 13.70 N ATOM 237 C5 DA B 12 10.762 24.669 -9.929 1.00 12.89 C ATOM 238 C6 DA B 12 9.490 25.044 -9.475 1.00 13.12 C ATOM 239 N6 DA B 12 9.218 25.190 -8.179 1.00 11.73 N ATOM 240 N1 DA B 12 8.521 25.269 -10.397 1.00 11.99 N ATOM 241 C2 DA B 12 8.812 25.140 -11.705 1.00 13.20 C ATOM 242 N3 DA B 12 9.983 24.807 -12.250 1.00 12.35 N ATOM 243 C4 DA B 12 10.921 24.583 -11.303 1.00 14.37 C ATOM 244 P DC B 13 15.550 25.642 -15.959 1.00 18.72 P ATOM 245 OP1 DC B 13 15.602 25.305 -17.386 1.00 22.25 O ATOM 246 OP2 DC B 13 16.777 25.971 -15.190 1.00 18.26 O ATOM 247 O5' DC B 13 14.591 26.903 -15.726 1.00 21.44 O ATOM 248 C5' DC B 13 13.428 27.026 -16.524 1.00 21.91 C ATOM 249 C4' DC B 13 12.334 27.829 -15.834 1.00 20.94 C ATOM 250 O4' DC B 13 11.986 27.229 -14.580 1.00 18.63 O ATOM 251 C3' DC B 13 12.700 29.253 -15.444 1.00 23.00 C ATOM 252 O3' DC B 13 12.352 30.143 -16.462 1.00 25.42 O ATOM 253 C2' DC B 13 11.730 29.545 -14.303 1.00 22.07 C ATOM 254 C1' DC B 13 11.212 28.174 -13.899 1.00 19.47 C ATOM 255 N1 DC B 13 11.329 28.048 -12.396 1.00 16.22 N ATOM 256 C2 DC B 13 10.185 28.331 -11.649 1.00 17.64 C ATOM 257 O2 DC B 13 9.156 28.617 -12.274 1.00 15.29 O ATOM 258 N3 DC B 13 10.231 28.259 -10.278 1.00 15.29 N ATOM 259 C4 DC B 13 11.383 27.952 -9.699 1.00 16.13 C ATOM 260 N4 DC B 13 11.404 27.904 -8.347 1.00 14.90 N ATOM 261 C5 DC B 13 12.582 27.690 -10.467 1.00 16.57 C ATOM 262 C6 DC B 13 12.518 27.756 -11.805 1.00 15.33 C TER 263 DC B 13 ATOM 264 O5' DG C 25 2.697 34.421 -5.423 1.00 24.60 O ATOM 265 C5' DG C 25 1.905 33.257 -5.308 1.00 22.20 C ATOM 266 C4' DG C 25 1.918 32.543 -6.656 1.00 20.45 C ATOM 267 O4' DG C 25 3.300 32.209 -6.994 1.00 18.95 O ATOM 268 C3' DG C 25 1.114 31.245 -6.693 1.00 19.51 C ATOM 269 O3' DG C 25 0.428 31.194 -7.966 1.00 19.95 O ATOM 270 C2' DG C 25 2.178 30.158 -6.548 1.00 19.68 C ATOM 271 C1' DG C 25 3.384 30.811 -7.260 1.00 17.04 C ATOM 272 N9 DG C 25 4.669 30.255 -6.845 1.00 16.09 N ATOM 273 C8 DG C 25 5.116 29.961 -5.569 1.00 17.29 C ATOM 274 N7 DG C 25 6.309 29.405 -5.548 1.00 17.08 N ATOM 275 C5 DG C 25 6.680 29.353 -6.885 1.00 15.87 C ATOM 276 C6 DG C 25 7.884 28.891 -7.493 1.00 16.73 C ATOM 277 O6 DG C 25 8.882 28.401 -6.941 1.00 15.61 O ATOM 278 N1 DG C 25 7.853 28.990 -8.888 1.00 15.17 N ATOM 279 C2 DG C 25 6.788 29.505 -9.601 1.00 15.74 C ATOM 280 N2 DG C 25 6.913 29.537 -10.931 1.00 14.87 N ATOM 281 N3 DG C 25 5.669 29.961 -9.039 1.00 14.63 N ATOM 282 C4 DG C 25 5.680 29.847 -7.687 1.00 16.58 C ATOM 283 P DT C 26 -0.323 29.903 -8.522 1.00 19.60 P ATOM 284 OP1 DT C 26 -1.513 30.445 -9.173 1.00 22.78 O ATOM 285 OP2 DT C 26 -0.428 28.795 -7.574 1.00 20.45 O ATOM 286 O5' DT C 26 0.723 29.450 -9.668 1.00 16.71 O ATOM 287 C5' DT C 26 1.000 30.421 -10.662 1.00 15.22 C ATOM 288 C4' DT C 26 1.788 29.756 -11.781 1.00 14.31 C ATOM 289 O4' DT C 26 3.059 29.282 -11.294 1.00 13.52 O ATOM 290 C3' DT C 26 1.121 28.569 -12.453 1.00 11.12 C ATOM 291 O3' DT C 26 1.300 28.794 -13.864 1.00 15.73 O ATOM 292 C2' DT C 26 1.894 27.344 -11.946 1.00 12.32 C ATOM 293 C1' DT C 26 3.264 27.920 -11.660 1.00 14.18 C ATOM 294 N1 DT C 26 4.073 27.280 -10.580 1.00 14.81 N ATOM 295 C2 DT C 26 5.298 26.711 -10.916 1.00 15.00 C ATOM 296 O2 DT C 26 5.766 26.650 -12.056 1.00 14.69 O ATOM 297 N3 DT C 26 5.980 26.199 -9.844 1.00 13.68 N ATOM 298 C4 DT C 26 5.577 26.205 -8.515 1.00 14.11 C ATOM 299 O4 DT C 26 6.299 25.708 -7.651 1.00 15.57 O ATOM 300 C5 DT C 26 4.291 26.794 -8.235 1.00 14.64 C ATOM 301 C7 DT C 26 3.707 26.752 -6.843 1.00 14.95 C ATOM 302 C6 DT C 26 3.606 27.324 -9.265 1.00 14.08 C ATOM 303 P DT C 27 0.579 27.885 -14.962 1.00 16.09 P ATOM 304 OP1 DT C 27 0.490 28.796 -16.144 1.00 16.81 O ATOM 305 OP2 DT C 27 -0.641 27.308 -14.384 1.00 13.52 O ATOM 306 O5' DT C 27 1.600 26.721 -15.322 1.00 13.83 O ATOM 307 C5' DT C 27 2.864 27.139 -15.934 1.00 13.96 C ATOM 308 C4' DT C 27 3.803 25.963 -16.057 1.00 13.61 C ATOM 309 O4' DT C 27 4.249 25.593 -14.723 1.00 14.54 O ATOM 310 C3' DT C 27 3.210 24.696 -16.658 1.00 13.95 C ATOM 311 O3' DT C 27 4.038 24.359 -17.799 1.00 13.70 O ATOM 312 C2' DT C 27 3.286 23.636 -15.550 1.00 10.62 C ATOM 313 C1' DT C 27 4.426 24.183 -14.717 1.00 13.46 C ATOM 314 N1 DT C 27 4.518 23.809 -13.269 1.00 12.69 N ATOM 315 C2 DT C 27 5.740 23.328 -12.802 1.00 14.58 C ATOM 316 O2 DT C 27 6.714 23.110 -13.509 1.00 13.56 O ATOM 317 N3 DT C 27 5.765 23.040 -11.453 1.00 12.05 N ATOM 318 C4 DT C 27 4.709 23.258 -10.560 1.00 12.93 C ATOM 319 O4 DT C 27 4.868 22.986 -9.364 1.00 11.59 O ATOM 320 C5 DT C 27 3.469 23.763 -11.109 1.00 12.94 C ATOM 321 C7 DT C 27 2.248 24.024 -10.246 1.00 11.41 C ATOM 322 C6 DT C 27 3.419 24.021 -12.428 1.00 12.96 C ATOM 323 P DG C 28 3.679 23.221 -18.834 1.00 13.01 P ATOM 324 OP1 DG C 28 4.527 23.506 -20.030 1.00 12.24 O ATOM 325 OP2 DG C 28 2.218 23.069 -18.962 1.00 12.50 O ATOM 326 O5' DG C 28 4.232 21.879 -18.194 1.00 13.26 O ATOM 327 C5' DG C 28 5.687 21.638 -18.116 1.00 14.53 C ATOM 328 C4' DG C 28 5.994 20.446 -17.219 1.00 15.64 C ATOM 329 O4' DG C 28 5.727 20.797 -15.828 1.00 14.37 O ATOM 330 C3' DG C 28 5.170 19.179 -17.499 1.00 14.46 C ATOM 331 O3' DG C 28 6.016 18.302 -18.262 1.00 18.47 O ATOM 332 C2' DG C 28 4.864 18.646 -16.091 1.00 14.35 C ATOM 333 C1' DG C 28 5.703 19.557 -15.172 1.00 14.24 C ATOM 334 N9 DG C 28 5.137 19.780 -13.831 1.00 14.00 N ATOM 335 C8 DG C 28 3.901 20.288 -13.504 1.00 13.60 C ATOM 336 N7 DG C 28 3.673 20.336 -12.223 1.00 13.79 N ATOM 337 C5 DG C 28 4.847 19.836 -11.653 1.00 14.52 C ATOM 338 C6 DG C 28 5.216 19.669 -10.285 1.00 13.96 C ATOM 339 O6 DG C 28 4.550 19.922 -9.267 1.00 14.40 O ATOM 340 N1 DG C 28 6.497 19.137 -10.167 1.00 13.60 N ATOM 341 C2 DG C 28 7.311 18.795 -11.234 1.00 14.84 C ATOM 342 N2 DG C 28 8.505 18.294 -10.938 1.00 14.82 N ATOM 343 N3 DG C 28 6.994 18.956 -12.526 1.00 14.06 N ATOM 344 C4 DG C 28 5.749 19.486 -12.645 1.00 14.05 C ATOM 345 P DT C 29 5.652 16.789 -18.638 1.00 20.88 P ATOM 346 OP1 DT C 29 6.513 16.473 -19.806 1.00 23.58 O ATOM 347 OP2 DT C 29 4.204 16.535 -18.606 1.00 22.04 O ATOM 348 O5' DT C 29 6.322 16.005 -17.407 1.00 18.75 O ATOM 349 C5' DT C 29 7.685 16.233 -17.052 1.00 17.32 C ATOM 350 C4' DT C 29 8.035 15.297 -15.896 1.00 18.41 C ATOM 351 O4' DT C 29 7.465 15.842 -14.688 1.00 17.53 O ATOM 352 C3' DT C 29 7.489 13.877 -16.014 1.00 19.79 C ATOM 353 O3' DT C 29 8.606 12.986 -15.912 1.00 23.00 O ATOM 354 C2' DT C 29 6.525 13.747 -14.834 1.00 17.65 C ATOM 355 C1' DT C 29 7.036 14.798 -13.858 1.00 15.52 C ATOM 356 N1 DT C 29 6.010 15.377 -12.927 1.00 14.32 N ATOM 357 C2 DT C 29 6.317 15.416 -11.567 1.00 14.09 C ATOM 358 O2 DT C 29 7.382 15.023 -11.100 1.00 15.55 O ATOM 359 N3 DT C 29 5.350 15.948 -10.773 1.00 12.94 N ATOM 360 C4 DT C 29 4.119 16.427 -11.173 1.00 13.46 C ATOM 361 O4 DT C 29 3.339 16.870 -10.335 1.00 16.07 O ATOM 362 C5 DT C 29 3.833 16.363 -12.589 1.00 13.35 C ATOM 363 C7 DT C 29 2.503 16.828 -13.151 1.00 10.03 C ATOM 364 C6 DT C 29 4.797 15.860 -13.406 1.00 14.07 C ATOM 365 P DT C 30 8.509 11.408 -16.143 1.00 27.26 P ATOM 366 OP1 DT C 30 9.839 11.041 -16.677 1.00 28.49 O ATOM 367 OP2 DT C 30 7.262 11.044 -16.829 1.00 25.19 O ATOM 368 O5' DT C 30 8.275 10.787 -14.681 1.00 27.36 O ATOM 369 C5' DT C 30 9.246 10.922 -13.637 1.00 27.16 C ATOM 370 C4' DT C 30 8.589 10.857 -12.260 1.00 25.21 C ATOM 371 O4' DT C 30 7.566 11.858 -12.129 1.00 22.09 O ATOM 372 C3' DT C 30 7.804 9.601 -11.904 1.00 25.69 C ATOM 373 O3' DT C 30 8.722 8.557 -11.608 1.00 29.92 O ATOM 374 C2' DT C 30 7.066 10.073 -10.654 1.00 22.42 C ATOM 375 C1' DT C 30 6.993 11.578 -10.852 1.00 19.09 C ATOM 376 N1 DT C 30 5.606 12.124 -10.861 1.00 16.73 N ATOM 377 C2 DT C 30 5.117 12.558 -9.657 1.00 17.06 C ATOM 378 O2 DT C 30 5.767 12.489 -8.618 1.00 16.17 O ATOM 379 N3 DT C 30 3.841 13.086 -9.722 1.00 13.40 N ATOM 380 C4 DT C 30 3.038 13.174 -10.842 1.00 13.73 C ATOM 381 O4 DT C 30 1.930 13.657 -10.797 1.00 15.33 O ATOM 382 C5 DT C 30 3.607 12.701 -12.081 1.00 15.23 C ATOM 383 C7 DT C 30 2.727 12.639 -13.297 1.00 16.62 C ATOM 384 C6 DT C 30 4.869 12.212 -12.044 1.00 16.62 C ATOM 385 P DT C 31 8.220 7.078 -11.207 1.00 34.02 P ATOM 386 OP1 DT C 31 9.386 6.212 -11.432 1.00 35.63 O ATOM 387 OP2 DT C 31 6.889 6.743 -11.770 1.00 33.11 O ATOM 388 O5' DT C 31 7.933 7.176 -9.629 1.00 31.38 O ATOM 389 C5' DT C 31 8.859 7.670 -8.678 1.00 30.63 C ATOM 390 C4' DT C 31 8.160 7.802 -7.331 1.00 29.61 C ATOM 391 O4' DT C 31 7.089 8.783 -7.403 1.00 27.71 O ATOM 392 C3' DT C 31 7.524 6.534 -6.773 1.00 29.05 C ATOM 393 O3' DT C 31 7.837 6.431 -5.374 1.00 33.03 O ATOM 394 C2' DT C 31 6.017 6.739 -6.963 1.00 28.15 C ATOM 395 C1' DT C 31 5.907 8.245 -6.834 1.00 23.96 C ATOM 396 N1 DT C 31 4.755 8.873 -7.546 1.00 22.40 N ATOM 397 C2 DT C 31 3.923 9.696 -6.815 1.00 20.46 C ATOM 398 O2 DT C 31 4.055 9.905 -5.617 1.00 19.43 O ATOM 399 N3 DT C 31 2.906 10.266 -7.538 1.00 17.26 N ATOM 400 C4 DT C 31 2.665 10.090 -8.895 1.00 19.16 C ATOM 401 O4 DT C 31 1.730 10.639 -9.458 1.00 19.73 O ATOM 402 C5 DT C 31 3.578 9.225 -9.600 1.00 20.26 C ATOM 403 C7 DT C 31 3.401 8.952 -11.068 1.00 20.97 C ATOM 404 C6 DT C 31 4.580 8.666 -8.902 1.00 20.49 C ATOM 405 P DA C 32 7.547 5.053 -4.589 1.00 35.51 P ATOM 406 OP1 DA C 32 8.574 4.956 -3.520 1.00 34.90 O ATOM 407 OP2 DA C 32 7.252 3.960 -5.549 1.00 33.98 O ATOM 408 O5' DA C 32 6.161 5.392 -3.870 1.00 32.14 O ATOM 409 C5' DA C 32 6.074 6.541 -3.051 1.00 29.71 C ATOM 410 C4' DA C 32 4.646 6.655 -2.559 1.00 29.26 C ATOM 411 O4' DA C 32 3.819 7.321 -3.543 1.00 27.03 O ATOM 412 C3' DA C 32 4.000 5.288 -2.330 1.00 28.59 C ATOM 413 O3' DA C 32 3.716 5.280 -0.959 1.00 29.84 O ATOM 414 C2' DA C 32 2.769 5.265 -3.251 1.00 26.88 C ATOM 415 C1' DA C 32 2.532 6.750 -3.528 1.00 23.43 C ATOM 416 N9 DA C 32 1.913 7.075 -4.821 1.00 21.07 N ATOM 417 C8 DA C 32 2.340 6.657 -6.063 1.00 20.09 C ATOM 418 N7 DA C 32 1.612 7.110 -7.058 1.00 21.81 N ATOM 419 C5 DA C 32 0.652 7.886 -6.428 1.00 19.40 C ATOM 420 C6 DA C 32 -0.430 8.625 -6.946 1.00 19.51 C ATOM 421 N6 DA C 32 -0.693 8.700 -8.255 1.00 17.48 N ATOM 422 N1 DA C 32 -1.212 9.274 -6.070 1.00 19.79 N ATOM 423 C2 DA C 32 -0.937 9.182 -4.756 1.00 20.85 C ATOM 424 N3 DA C 32 0.055 8.529 -4.149 1.00 18.46 N ATOM 425 C4 DA C 32 0.815 7.874 -5.048 1.00 20.96 C ATOM 426 P DC C 33 3.042 4.042 -0.216 1.00 31.33 P ATOM 427 OP1 DC C 33 3.439 4.247 1.195 1.00 33.26 O ATOM 428 OP2 DC C 33 3.277 2.786 -0.961 1.00 28.44 O ATOM 429 O5' DC C 33 1.483 4.360 -0.278 1.00 29.18 O ATOM 430 C5' DC C 33 0.981 5.492 0.383 1.00 28.29 C ATOM 431 C4' DC C 33 -0.444 5.641 -0.084 1.00 30.50 C ATOM 432 O4' DC C 33 -0.442 5.973 -1.494 1.00 29.90 O ATOM 433 C3' DC C 33 -1.242 4.341 0.015 1.00 30.06 C ATOM 434 O3' DC C 33 -2.264 4.646 0.887 1.00 34.08 O ATOM 435 C2' DC C 33 -1.778 4.088 -1.390 1.00 29.06 C ATOM 436 C1' DC C 33 -1.653 5.482 -2.014 1.00 25.48 C ATOM 437 N1 DC C 33 -1.622 5.474 -3.500 1.00 23.05 N ATOM 438 C2 DC C 33 -2.555 6.250 -4.202 1.00 20.22 C ATOM 439 O2 DC C 33 -3.362 6.952 -3.596 1.00 21.44 O ATOM 440 N3 DC C 33 -2.535 6.219 -5.545 1.00 20.32 N ATOM 441 C4 DC C 33 -1.664 5.461 -6.203 1.00 21.85 C ATOM 442 N4 DC C 33 -1.725 5.479 -7.532 1.00 21.50 N ATOM 443 C5 DC C 33 -0.711 4.635 -5.507 1.00 21.52 C ATOM 444 C6 DC C 33 -0.737 4.675 -4.169 1.00 21.81 C ATOM 445 P DA C 34 -3.289 3.557 1.446 1.00 34.13 P ATOM 446 OP1 DA C 34 -3.193 3.811 2.886 1.00 33.90 O ATOM 447 OP2 DA C 34 -3.094 2.212 0.825 1.00 35.52 O ATOM 448 O5' DA C 34 -4.692 4.065 0.893 1.00 31.52 O ATOM 449 C5' DA C 34 -5.142 5.391 1.069 1.00 25.60 C ATOM 450 C4' DA C 34 -6.377 5.536 0.213 1.00 23.73 C ATOM 451 O4' DA C 34 -5.990 5.664 -1.175 1.00 24.71 O ATOM 452 C3' DA C 34 -7.285 4.303 0.289 1.00 23.30 C ATOM 453 O3' DA C 34 -8.574 4.708 0.668 1.00 22.62 O ATOM 454 C2' DA C 34 -7.312 3.699 -1.113 1.00 22.95 C ATOM 455 C1' DA C 34 -6.844 4.860 -1.978 1.00 21.55 C ATOM 456 N9 DA C 34 -6.019 4.402 -3.072 1.00 22.03 N ATOM 457 C8 DA C 34 -4.850 3.711 -2.967 1.00 20.49 C ATOM 458 N7 DA C 34 -4.303 3.435 -4.118 1.00 21.26 N ATOM 459 C5 DA C 34 -5.188 3.990 -5.037 1.00 21.87 C ATOM 460 C6 DA C 34 -5.172 4.046 -6.444 1.00 20.95 C ATOM 461 N6 DA C 34 -4.187 3.491 -7.152 1.00 20.06 N ATOM 462 N1 DA C 34 -6.198 4.682 -7.066 1.00 19.41 N ATOM 463 C2 DA C 34 -7.175 5.216 -6.328 1.00 20.46 C ATOM 464 N3 DA C 34 -7.278 5.238 -4.989 1.00 20.77 N ATOM 465 C4 DA C 34 -6.251 4.596 -4.413 1.00 20.04 C ATOM 466 P DT C 35 -9.691 3.609 1.048 1.00 24.64 P ATOM 467 OP1 DT C 35 -10.638 4.359 1.931 1.00 21.45 O ATOM 468 OP2 DT C 35 -9.081 2.310 1.422 1.00 25.18 O ATOM 469 O5' DT C 35 -10.523 3.442 -0.299 1.00 25.46 O ATOM 470 C5' DT C 35 -11.119 4.592 -0.890 1.00 26.01 C ATOM 471 C4' DT C 35 -11.616 4.171 -2.263 1.00 31.64 C ATOM 472 O4' DT C 35 -10.520 3.912 -3.183 1.00 31.56 O ATOM 473 C3' DT C 35 -12.434 2.881 -2.252 1.00 33.17 C ATOM 474 O3' DT C 35 -13.539 3.199 -2.997 1.00 36.05 O ATOM 475 C2' DT C 35 -11.579 1.858 -2.993 1.00 33.21 C ATOM 476 C1' DT C 35 -10.857 2.790 -3.971 1.00 29.90 C ATOM 477 N1 DT C 35 -9.616 2.264 -4.557 1.00 28.01 N ATOM 478 C2 DT C 35 -9.388 2.466 -5.907 1.00 25.84 C ATOM 479 O2 DT C 35 -10.157 3.037 -6.637 1.00 26.61 O ATOM 480 N3 DT C 35 -8.208 1.952 -6.364 1.00 26.51 N ATOM 481 C4 DT C 35 -7.256 1.279 -5.644 1.00 25.30 C ATOM 482 O4 DT C 35 -6.229 0.857 -6.137 1.00 27.21 O ATOM 483 C5 DT C 35 -7.545 1.104 -4.242 1.00 27.19 C ATOM 484 C7 DT C 35 -6.468 0.583 -3.347 1.00 25.67 C ATOM 485 C6 DT C 35 -8.697 1.590 -3.776 1.00 26.17 C ATOM 486 P DA C 36 -14.945 2.456 -2.844 1.00 37.74 P ATOM 487 OP1 DA C 36 -15.845 3.512 -2.320 1.00 34.62 O ATOM 488 OP2 DA C 36 -14.746 1.096 -2.272 1.00 32.07 O ATOM 489 O5' DA C 36 -15.361 2.275 -4.380 1.00 31.39 O ATOM 490 C5' DA C 36 -15.467 3.395 -5.292 1.00 27.78 C ATOM 491 C4' DA C 36 -15.448 2.820 -6.705 1.00 24.13 C ATOM 492 O4' DA C 36 -14.123 2.331 -7.029 1.00 24.16 O ATOM 493 C3' DA C 36 -16.374 1.621 -6.866 1.00 23.68 C ATOM 494 O3' DA C 36 -17.159 1.863 -8.023 1.00 23.90 O ATOM 495 C2' DA C 36 -15.472 0.397 -6.999 1.00 20.82 C ATOM 496 C1' DA C 36 -14.196 1.013 -7.548 1.00 19.75 C ATOM 497 N9 DA C 36 -12.950 0.384 -7.132 1.00 18.94 N ATOM 498 C8 DA C 36 -12.576 0.060 -5.848 1.00 19.11 C ATOM 499 N7 DA C 36 -11.382 -0.476 -5.776 1.00 19.04 N ATOM 500 C5 DA C 36 -10.931 -0.486 -7.086 1.00 17.41 C ATOM 501 C6 DA C 36 -9.724 -0.921 -7.676 1.00 18.24 C ATOM 502 N6 DA C 36 -8.713 -1.464 -6.994 1.00 17.58 N ATOM 503 N1 DA C 36 -9.598 -0.800 -9.021 1.00 17.80 N ATOM 504 C2 DA C 36 -10.614 -0.280 -9.720 1.00 17.30 C ATOM 505 N3 DA C 36 -11.796 0.184 -9.284 1.00 17.25 N ATOM 506 C4 DA C 36 -11.883 0.057 -7.937 1.00 18.47 C ATOM 507 P DG C 37 -18.422 0.940 -8.327 1.00 24.86 P ATOM 508 OP1 DG C 37 -19.355 1.800 -9.087 1.00 23.94 O ATOM 509 OP2 DG C 37 -18.839 0.244 -7.087 1.00 25.06 O ATOM 510 O5' DG C 37 -17.828 -0.143 -9.331 1.00 22.34 O ATOM 511 C5' DG C 37 -17.269 0.269 -10.562 1.00 22.71 C ATOM 512 C4' DG C 37 -16.518 -0.906 -11.122 1.00 20.74 C ATOM 513 O4' DG C 37 -15.274 -0.993 -10.407 1.00 21.46 O ATOM 514 C3' DG C 37 -17.182 -2.250 -10.864 1.00 22.54 C ATOM 515 O3' DG C 37 -17.985 -2.612 -11.967 1.00 25.75 O ATOM 516 C2' DG C 37 -16.032 -3.212 -10.698 1.00 18.25 C ATOM 517 C1' DG C 37 -14.800 -2.288 -10.649 1.00 16.46 C ATOM 518 N9 DG C 37 -13.913 -2.688 -9.579 1.00 14.25 N ATOM 519 C8 DG C 37 -14.185 -2.736 -8.236 1.00 15.43 C ATOM 520 N7 DG C 37 -13.214 -3.200 -7.512 1.00 15.05 N ATOM 521 C5 DG C 37 -12.213 -3.454 -8.449 1.00 14.58 C ATOM 522 C6 DG C 37 -10.902 -3.967 -8.311 1.00 14.29 C ATOM 523 O6 DG C 37 -10.286 -4.295 -7.298 1.00 14.43 O ATOM 524 N1 DG C 37 -10.244 -4.064 -9.537 1.00 14.96 N ATOM 525 C2 DG C 37 -10.773 -3.749 -10.766 1.00 14.53 C ATOM 526 N2 DG C 37 -9.996 -3.929 -11.850 1.00 14.34 N ATOM 527 N3 DG C 37 -11.992 -3.267 -10.906 1.00 13.59 N ATOM 528 C4 DG C 37 -12.648 -3.163 -9.724 1.00 15.58 C TER 529 DG C 37 ATOM 530 N ARG A 93 -23.646 10.166 -10.258 1.00 33.36 N ATOM 531 CA ARG A 93 -22.360 10.843 -10.613 1.00 32.65 C ATOM 532 C ARG A 93 -21.124 10.223 -9.999 1.00 31.89 C ATOM 533 O ARG A 93 -20.987 10.148 -8.786 1.00 31.05 O ATOM 534 CB ARG A 93 -22.363 12.340 -10.306 1.00 33.26 C ATOM 535 CG ARG A 93 -23.245 13.142 -11.166 1.00 35.06 C ATOM 536 CD ARG A 93 -22.946 14.581 -10.899 1.00 36.83 C ATOM 537 NE ARG A 93 -23.613 15.381 -11.902 1.00 38.22 N ATOM 538 CZ ARG A 93 -23.393 16.672 -12.090 1.00 36.88 C ATOM 539 NH1 ARG A 93 -22.492 17.314 -11.353 1.00 34.81 N ATOM 540 NH2 ARG A 93 -24.051 17.300 -13.051 1.00 38.83 N ATOM 541 N ARG A 94 -20.192 9.859 -10.871 1.00 31.37 N ATOM 542 CA ARG A 94 -18.956 9.232 -10.460 1.00 31.03 C ATOM 543 C ARG A 94 -18.052 10.251 -9.760 1.00 30.29 C ATOM 544 O ARG A 94 -17.312 9.913 -8.836 1.00 30.72 O ATOM 545 CB ARG A 94 -18.316 8.618 -11.702 1.00 31.41 C ATOM 546 CG ARG A 94 -17.174 7.694 -11.434 1.00 33.71 C ATOM 547 CD ARG A 94 -16.689 7.031 -12.731 1.00 34.11 C ATOM 548 NE ARG A 94 -16.165 7.987 -13.691 1.00 34.95 N ATOM 549 CZ ARG A 94 -14.904 8.419 -13.687 1.00 35.69 C ATOM 550 NH1 ARG A 94 -14.051 8.012 -12.746 1.00 35.66 N ATOM 551 NH2 ARG A 94 -14.508 9.287 -14.598 1.00 34.78 N ATOM 552 N ASN A 95 -18.146 11.507 -10.189 1.00 28.65 N ATOM 553 CA ASN A 95 -17.366 12.624 -9.640 1.00 27.88 C ATOM 554 C ASN A 95 -18.317 13.771 -9.343 1.00 26.80 C ATOM 555 O ASN A 95 -19.424 13.792 -9.863 1.00 26.93 O ATOM 556 CB ASN A 95 -16.361 13.114 -10.684 1.00 27.27 C ATOM 557 CG ASN A 95 -15.321 12.068 -11.053 1.00 27.22 C ATOM 558 OD1 ASN A 95 -14.709 11.446 -10.048 1.00 23.07 O ATOM 559 ND2 ASN A 95 -15.117 11.785 -12.242 1.00 26.92 N ATOM 560 N ALA A 96 -17.872 14.735 -8.544 1.00 26.01 N ATOM 561 CA ALA A 96 -18.706 15.897 -8.183 1.00 25.79 C ATOM 562 C ALA A 96 -19.130 16.758 -9.382 1.00 25.51 C ATOM 563 O ALA A 96 -20.153 17.437 -9.341 1.00 25.75 O ATOM 564 CB ALA A 96 -17.983 16.755 -7.169 1.00 26.35 C ATOM 565 N TRP A 97 -18.360 16.707 -10.466 1.00 24.33 N ATOM 566 CA TRP A 97 -18.670 17.496 -11.648 1.00 23.23 C ATOM 567 C TRP A 97 -19.404 16.726 -12.742 1.00 23.41 C ATOM 568 O TRP A 97 -19.753 17.303 -13.783 1.00 24.47 O ATOM 569 CB TRP A 97 -17.356 18.033 -12.237 1.00 22.95 C ATOM 570 CG TRP A 97 -16.423 16.929 -12.633 1.00 21.19 C ATOM 571 CD1 TRP A 97 -16.422 16.238 -13.805 1.00 21.79 C ATOM 572 CD2 TRP A 97 -15.334 16.412 -11.861 1.00 23.04 C ATOM 573 NE1 TRP A 97 -15.421 15.299 -13.810 1.00 19.31 N ATOM 574 CE2 TRP A 97 -14.727 15.389 -12.632 1.00 21.01 C ATOM 575 CE3 TRP A 97 -14.817 16.702 -10.590 1.00 20.65 C ATOM 576 CZ2 TRP A 97 -13.633 14.656 -12.172 1.00 20.50 C ATOM 577 CZ3 TRP A 97 -13.724 15.965 -10.134 1.00 22.98 C ATOM 578 CH2 TRP A 97 -13.150 14.957 -10.920 1.00 22.35 C ATOM 579 N GLY A 98 -19.598 15.427 -12.543 1.00 22.95 N ATOM 580 CA GLY A 98 -20.269 14.579 -13.540 1.00 23.11 C ATOM 581 C GLY A 98 -19.555 13.247 -13.649 1.00 23.02 C ATOM 582 O GLY A 98 -18.772 12.899 -12.779 1.00 23.38 O ATOM 583 N ASN A 99 -19.802 12.511 -14.728 1.00 22.97 N ATOM 584 CA ASN A 99 -19.176 11.214 -14.938 1.00 23.91 C ATOM 585 C ASN A 99 -17.917 11.264 -15.789 1.00 23.12 C ATOM 586 O ASN A 99 -17.304 10.226 -16.013 1.00 23.05 O ATOM 587 CB ASN A 99 -20.135 10.269 -15.665 1.00 25.36 C ATOM 588 CG ASN A 99 -21.349 9.898 -14.837 1.00 28.10 C ATOM 589 OD1 ASN A 99 -22.453 9.817 -15.373 1.00 32.78 O ATOM 590 ND2 ASN A 99 -21.168 9.729 -13.528 1.00 27.97 N ATOM 591 N GLN A 100 -17.547 12.442 -16.285 1.00 21.61 N ATOM 592 CA GLN A 100 -16.360 12.517 -17.133 1.00 21.19 C ATOM 593 C GLN A 100 -15.082 12.333 -16.309 1.00 18.99 C ATOM 594 O GLN A 100 -15.022 12.749 -15.172 1.00 18.63 O ATOM 595 CB GLN A 100 -16.193 13.898 -17.804 1.00 21.40 C ATOM 596 CG GLN A 100 -17.354 14.571 -18.566 1.00 24.70 C ATOM 597 CD GLN A 100 -18.426 15.223 -17.664 1.00 29.32 C ATOM 598 OE1 GLN A 100 -18.549 14.936 -16.465 1.00 28.39 O ATOM 599 NE2 GLN A 100 -19.190 16.139 -18.260 1.00 30.42 N ATOM 600 N SER A 101 -14.074 11.703 -16.895 1.00 17.61 N ATOM 601 CA SER A 101 -12.807 11.548 -16.228 1.00 16.33 C ATOM 602 C SER A 101 -12.068 12.844 -16.563 1.00 15.72 C ATOM 603 O SER A 101 -12.496 13.598 -17.450 1.00 14.37 O ATOM 604 CB SER A 101 -12.007 10.387 -16.804 1.00 17.09 C ATOM 605 OG SER A 101 -11.736 10.615 -18.178 1.00 16.63 O ATOM 606 N TYR A 102 -10.985 13.122 -15.833 1.00 15.37 N ATOM 607 CA TYR A 102 -10.179 14.305 -16.094 1.00 15.29 C ATOM 608 C TYR A 102 -9.610 14.262 -17.520 1.00 15.44 C ATOM 609 O TYR A 102 -9.575 15.283 -18.211 1.00 14.60 O ATOM 610 CB TYR A 102 -9.030 14.492 -15.092 1.00 15.27 C ATOM 611 CG TYR A 102 -9.409 15.056 -13.743 1.00 15.10 C ATOM 612 CD1 TYR A 102 -9.409 14.273 -12.578 1.00 14.88 C ATOM 613 CD2 TYR A 102 -9.790 16.409 -13.642 1.00 16.14 C ATOM 614 CE1 TYR A 102 -9.764 14.847 -11.322 1.00 13.97 C ATOM 615 CE2 TYR A 102 -10.145 16.976 -12.409 1.00 14.95 C ATOM 616 CZ TYR A 102 -10.135 16.203 -11.272 1.00 15.48 C ATOM 617 OH TYR A 102 -10.484 16.828 -10.077 1.00 15.58 O ATOM 618 N ALA A 103 -9.182 13.081 -17.951 1.00 15.88 N ATOM 619 CA ALA A 103 -8.639 12.935 -19.308 1.00 16.56 C ATOM 620 C ALA A 103 -9.714 13.317 -20.336 1.00 17.12 C ATOM 621 O ALA A 103 -9.415 13.951 -21.344 1.00 16.32 O ATOM 622 CB ALA A 103 -8.120 11.507 -19.537 1.00 17.65 C ATOM 623 N GLU A 104 -10.961 12.919 -20.096 1.00 16.86 N ATOM 624 CA GLU A 104 -12.056 13.269 -20.999 1.00 18.56 C ATOM 625 C GLU A 104 -12.298 14.774 -20.993 1.00 17.09 C ATOM 626 O GLU A 104 -12.555 15.362 -22.042 1.00 16.35 O ATOM 627 CB GLU A 104 -13.339 12.490 -20.655 1.00 18.66 C ATOM 628 CG GLU A 104 -13.242 11.026 -20.969 1.00 21.99 C ATOM 629 CD GLU A 104 -14.414 10.191 -20.431 1.00 23.18 C ATOM 630 OE1 GLU A 104 -15.049 10.566 -19.402 1.00 24.21 O ATOM 631 OE2 GLU A 104 -14.648 9.100 -21.013 1.00 30.33 O ATOM 632 N LEU A 105 -12.255 15.408 -19.824 1.00 15.39 N ATOM 633 CA LEU A 105 -12.443 16.856 -19.773 1.00 15.00 C ATOM 634 C LEU A 105 -11.340 17.621 -20.529 1.00 15.08 C ATOM 635 O LEU A 105 -11.615 18.595 -21.252 1.00 14.07 O ATOM 636 CB LEU A 105 -12.507 17.370 -18.325 1.00 14.76 C ATOM 637 CG LEU A 105 -13.751 16.927 -17.538 1.00 16.36 C ATOM 638 CD1 LEU A 105 -13.674 17.507 -16.142 1.00 18.99 C ATOM 639 CD2 LEU A 105 -15.017 17.402 -18.260 1.00 18.06 C ATOM 640 N ILE A 106 -10.099 17.197 -20.312 1.00 15.36 N ATOM 641 CA ILE A 106 -8.936 17.825 -20.955 1.00 15.72 C ATOM 642 C ILE A 106 -9.090 17.618 -22.459 1.00 16.10 C ATOM 643 O ILE A 106 -8.861 18.544 -23.222 1.00 16.34 O ATOM 644 CB ILE A 106 -7.628 17.202 -20.451 1.00 15.79 C ATOM 645 CG1 ILE A 106 -7.460 17.476 -18.941 1.00 14.53 C ATOM 646 CG2 ILE A 106 -6.428 17.791 -21.240 1.00 16.62 C ATOM 647 CD1 ILE A 106 -6.344 16.641 -18.297 1.00 14.54 C ATOM 648 N SER A 107 -9.456 16.400 -22.870 1.00 16.63 N ATOM 649 CA SER A 107 -9.660 16.116 -24.308 1.00 17.74 C ATOM 650 C SER A 107 -10.705 17.062 -24.920 1.00 18.08 C ATOM 651 O SER A 107 -10.462 17.639 -26.002 1.00 17.52 O ATOM 652 CB SER A 107 -9.988 14.640 -24.550 1.00 17.54 C ATOM 653 OG SER A 107 -8.899 13.837 -24.139 1.00 18.47 O ATOM 654 N GLN A 108 -11.851 17.245 -24.237 1.00 18.09 N ATOM 655 CA GLN A 108 -12.913 18.161 -24.721 1.00 19.50 C ATOM 656 C GLN A 108 -12.416 19.594 -24.792 1.00 18.15 C ATOM 657 O GLN A 108 -12.767 20.333 -25.728 1.00 17.14 O ATOM 658 CB GLN A 108 -14.181 18.136 -23.844 1.00 19.84 C ATOM 659 CG GLN A 108 -14.838 16.798 -23.793 1.00 23.44 C ATOM 660 CD GLN A 108 -16.090 16.768 -22.914 1.00 23.28 C ATOM 661 OE1 GLN A 108 -16.456 15.701 -22.410 1.00 32.31 O ATOM 662 NE2 GLN A 108 -16.693 17.924 -22.662 1.00 24.05 N ATOM 663 N ALA A 109 -11.611 20.006 -23.807 1.00 16.74 N ATOM 664 CA ALA A 109 -11.069 21.364 -23.803 1.00 16.08 C ATOM 665 C ALA A 109 -10.176 21.580 -25.037 1.00 16.83 C ATOM 666 O ALA A 109 -10.348 22.557 -25.758 1.00 17.92 O ATOM 667 CB ALA A 109 -10.232 21.634 -22.514 1.00 16.17 C ATOM 668 N ILE A 110 -9.198 20.692 -25.224 1.00 16.66 N ATOM 669 CA ILE A 110 -8.267 20.780 -26.366 1.00 17.72 C ATOM 670 C ILE A 110 -9.055 20.777 -27.697 1.00 18.88 C ATOM 671 O ILE A 110 -8.838 21.632 -28.557 1.00 18.04 O ATOM 672 CB ILE A 110 -7.207 19.653 -26.300 1.00 17.24 C ATOM 673 CG1 ILE A 110 -6.329 19.869 -25.056 1.00 17.14 C ATOM 674 CG2 ILE A 110 -6.333 19.650 -27.580 1.00 17.47 C ATOM 675 CD1 ILE A 110 -5.299 18.780 -24.783 1.00 17.12 C ATOM 676 N GLU A 111 -9.967 19.829 -27.845 1.00 20.77 N ATOM 677 CA GLU A 111 -10.791 19.739 -29.076 1.00 24.01 C ATOM 678 C GLU A 111 -11.614 20.996 -29.355 1.00 24.07 C ATOM 679 O GLU A 111 -11.913 21.293 -30.532 1.00 25.00 O ATOM 680 CB GLU A 111 -11.730 18.542 -29.006 1.00 23.90 C ATOM 681 CG GLU A 111 -11.072 17.191 -28.972 1.00 26.40 C ATOM 682 CD GLU A 111 -12.070 16.055 -28.677 1.00 29.06 C ATOM 683 OE1 GLU A 111 -13.234 16.345 -28.271 1.00 36.78 O ATOM 684 OE2 GLU A 111 -11.672 14.866 -28.781 1.00 35.38 O ATOM 685 N SER A 112 -11.965 21.755 -28.311 1.00 24.13 N ATOM 686 CA SER A 112 -12.765 22.969 -28.487 1.00 23.87 C ATOM 687 C SER A 112 -11.939 24.147 -29.029 1.00 23.56 C ATOM 688 O SER A 112 -12.513 25.141 -29.496 1.00 24.45 O ATOM 689 CB SER A 112 -13.445 23.442 -27.185 1.00 24.16 C ATOM 690 OG SER A 112 -12.515 24.050 -26.291 1.00 24.19 O ATOM 691 N ALA A 113 -10.614 24.073 -28.906 1.00 22.46 N ATOM 692 CA ALA A 113 -9.744 25.132 -29.391 1.00 22.17 C ATOM 693 C ALA A 113 -9.699 25.071 -30.925 1.00 22.17 C ATOM 694 O ALA A 113 -9.650 23.987 -31.493 1.00 20.95 O ATOM 695 CB ALA A 113 -8.347 25.001 -28.801 1.00 21.55 C ATOM 696 N PRO A 114 -9.789 26.233 -31.586 1.00 23.26 N ATOM 697 CA PRO A 114 -9.743 26.283 -33.054 1.00 23.71 C ATOM 698 C PRO A 114 -8.477 25.592 -33.611 1.00 22.71 C ATOM 699 O PRO A 114 -8.582 24.810 -34.554 1.00 23.69 O ATOM 700 CB PRO A 114 -9.749 27.786 -33.342 1.00 24.47 C ATOM 701 CG PRO A 114 -10.537 28.347 -32.216 1.00 25.75 C ATOM 702 CD PRO A 114 -9.982 27.579 -31.023 1.00 24.05 C ATOM 703 N GLU A 115 -7.318 25.837 -32.993 1.00 20.78 N ATOM 704 CA GLU A 115 -6.061 25.205 -33.435 1.00 19.21 C ATOM 705 C GLU A 115 -5.720 23.911 -32.686 1.00 18.12 C ATOM 706 O GLU A 115 -4.600 23.419 -32.737 1.00 17.49 O ATOM 707 CB GLU A 115 -4.913 26.202 -33.469 1.00 19.08 C ATOM 708 CG GLU A 115 -5.224 27.292 -34.456 1.00 18.42 C ATOM 709 CD GLU A 115 -4.113 28.281 -34.672 1.00 17.53 C ATOM 710 OE1 GLU A 115 -3.255 28.476 -33.775 1.00 18.28 O ATOM 711 OE2 GLU A 115 -4.146 28.933 -35.748 1.00 16.96 O ATOM 712 N LYS A 116 -6.711 23.371 -31.973 1.00 17.02 N ATOM 713 CA LYS A 116 -6.549 22.104 -31.254 1.00 16.81 C ATOM 714 C LYS A 116 -5.358 22.058 -30.292 1.00 15.16 C ATOM 715 O LYS A 116 -4.651 21.041 -30.199 1.00 15.46 O ATOM 716 CB LYS A 116 -6.420 20.952 -32.260 1.00 17.84 C ATOM 717 CG LYS A 116 -7.594 20.854 -33.252 1.00 19.54 C ATOM 718 CD LYS A 116 -8.948 20.642 -32.582 1.00 21.07 C ATOM 719 CE LYS A 116 -10.038 20.515 -33.681 1.00 22.66 C ATOM 720 NZ LYS A 116 -11.368 20.406 -33.061 1.00 24.82 N ATOM 721 N ARG A 117 -5.092 23.187 -29.650 1.00 14.97 N ATOM 722 CA ARG A 117 -3.995 23.253 -28.668 1.00 14.06 C ATOM 723 C ARG A 117 -4.354 24.317 -27.649 1.00 13.82 C ATOM 724 O ARG A 117 -5.018 25.305 -27.967 1.00 12.95 O ATOM 725 CB ARG A 117 -2.652 23.587 -29.315 1.00 13.64 C ATOM 726 CG ARG A 117 -2.538 24.980 -29.858 1.00 15.43 C ATOM 727 CD ARG A 117 -1.193 25.160 -30.558 1.00 15.37 C ATOM 728 NE ARG A 117 -0.988 26.576 -30.845 1.00 13.51 N ATOM 729 CZ ARG A 117 0.152 27.086 -31.320 1.00 14.20 C ATOM 730 NH1 ARG A 117 1.176 26.295 -31.588 1.00 16.43 N ATOM 731 NH2 ARG A 117 0.262 28.385 -31.501 1.00 17.90 N ATOM 732 N LEU A 118 -3.936 24.085 -26.406 1.00 14.10 N ATOM 733 CA LEU A 118 -4.175 25.024 -25.320 1.00 13.36 C ATOM 734 C LEU A 118 -3.048 24.916 -24.320 1.00 12.63 C ATOM 735 O LEU A 118 -2.441 23.849 -24.169 1.00 13.09 O ATOM 736 CB LEU A 118 -5.456 24.642 -24.536 1.00 14.00 C ATOM 737 CG LEU A 118 -6.843 24.707 -25.170 1.00 14.13 C ATOM 738 CD1 LEU A 118 -7.847 24.185 -24.114 1.00 15.09 C ATOM 739 CD2 LEU A 118 -7.107 26.147 -25.566 1.00 13.04 C ATOM 740 N THR A 119 -2.771 26.014 -23.633 1.00 13.01 N ATOM 741 CA THR A 119 -1.761 25.999 -22.574 1.00 12.26 C ATOM 742 C THR A 119 -2.494 25.467 -21.321 1.00 12.50 C ATOM 743 O THR A 119 -3.708 25.365 -21.307 1.00 10.93 O ATOM 744 CB THR A 119 -1.254 27.408 -22.183 1.00 13.18 C ATOM 745 OG1 THR A 119 -2.350 28.221 -21.696 1.00 14.73 O ATOM 746 CG2 THR A 119 -0.530 28.113 -23.385 1.00 13.79 C ATOM 747 N LEU A 120 -1.723 25.127 -20.287 1.00 12.56 N ATOM 748 CA LEU A 120 -2.265 24.640 -19.022 1.00 12.94 C ATOM 749 C LEU A 120 -3.280 25.651 -18.448 1.00 12.74 C ATOM 750 O LEU A 120 -4.369 25.242 -18.072 1.00 13.41 O ATOM 751 CB LEU A 120 -1.129 24.428 -18.017 1.00 12.46 C ATOM 752 CG LEU A 120 -1.575 23.922 -16.632 1.00 13.17 C ATOM 753 CD1 LEU A 120 -2.361 22.589 -16.676 1.00 14.34 C ATOM 754 CD2 LEU A 120 -0.339 23.776 -15.741 1.00 13.24 C ATOM 755 N ALA A 121 -2.927 26.944 -18.376 1.00 13.24 N ATOM 756 CA ALA A 121 -3.842 27.974 -17.849 1.00 13.74 C ATOM 757 C ALA A 121 -5.145 28.014 -18.651 1.00 13.89 C ATOM 758 O ALA A 121 -6.212 28.235 -18.089 1.00 12.37 O ATOM 759 CB ALA A 121 -3.200 29.347 -17.778 1.00 14.01 C ATOM 760 N GLN A 122 -5.049 27.802 -19.970 1.00 13.51 N ATOM 761 CA GLN A 122 -6.228 27.771 -20.834 1.00 12.74 C ATOM 762 C GLN A 122 -7.125 26.554 -20.581 1.00 13.13 C ATOM 763 O GLN A 122 -8.370 26.646 -20.714 1.00 13.18 O ATOM 764 CB GLN A 122 -5.839 27.885 -22.312 1.00 13.58 C ATOM 765 CG GLN A 122 -5.335 29.277 -22.645 1.00 15.16 C ATOM 766 CD GLN A 122 -4.847 29.342 -24.079 1.00 19.56 C ATOM 767 OE1 GLN A 122 -4.289 28.384 -24.594 1.00 16.20 O ATOM 768 NE2 GLN A 122 -5.011 30.493 -24.702 1.00 24.95 N ATOM 769 N ILE A 123 -6.514 25.424 -20.216 1.00 12.46 N ATOM 770 CA ILE A 123 -7.274 24.224 -19.909 1.00 11.53 C ATOM 771 C ILE A 123 -8.036 24.561 -18.623 1.00 12.30 C ATOM 772 O ILE A 123 -9.240 24.276 -18.543 1.00 11.12 O ATOM 773 CB ILE A 123 -6.363 23.009 -19.753 1.00 11.84 C ATOM 774 CG1 ILE A 123 -5.793 22.629 -21.152 1.00 9.84 C ATOM 775 CG2 ILE A 123 -7.140 21.782 -19.192 1.00 11.09 C ATOM 776 CD1 ILE A 123 -4.748 21.512 -21.075 1.00 12.11 C ATOM 777 N TYR A 124 -7.354 25.173 -17.637 1.00 12.39 N ATOM 778 CA TYR A 124 -8.075 25.523 -16.393 1.00 13.37 C ATOM 779 C TYR A 124 -9.240 26.484 -16.722 1.00 14.59 C ATOM 780 O TYR A 124 -10.357 26.321 -16.200 1.00 13.89 O ATOM 781 CB TYR A 124 -7.221 26.188 -15.324 1.00 12.87 C ATOM 782 CG TYR A 124 -5.972 25.470 -14.869 1.00 12.97 C ATOM 783 CD1 TYR A 124 -5.975 24.094 -14.640 1.00 12.17 C ATOM 784 CD2 TYR A 124 -4.894 26.210 -14.420 1.00 11.04 C ATOM 785 CE1 TYR A 124 -4.841 23.450 -14.136 1.00 13.37 C ATOM 786 CE2 TYR A 124 -3.735 25.581 -13.912 1.00 11.81 C ATOM 787 CZ TYR A 124 -3.724 24.219 -13.779 1.00 12.40 C ATOM 788 OH TYR A 124 -2.607 23.620 -13.254 1.00 14.81 O ATOM 789 N GLU A 125 -8.967 27.483 -17.568 1.00 15.31 N ATOM 790 CA GLU A 125 -9.987 28.469 -17.978 1.00 17.77 C ATOM 791 C GLU A 125 -11.176 27.781 -18.597 1.00 15.84 C ATOM 792 O GLU A 125 -12.317 28.146 -18.287 1.00 15.73 O ATOM 793 CB GLU A 125 -9.442 29.522 -18.969 1.00 17.03 C ATOM 794 CG GLU A 125 -8.307 30.337 -18.411 1.00 23.52 C ATOM 795 CD GLU A 125 -7.570 31.185 -19.457 1.00 24.72 C ATOM 796 OE1 GLU A 125 -8.046 31.301 -20.631 1.00 32.87 O ATOM 797 OE2 GLU A 125 -6.487 31.713 -19.078 1.00 32.03 O ATOM 798 N TRP A 126 -10.923 26.795 -19.463 1.00 15.49 N ATOM 799 CA TRP A 126 -12.014 26.061 -20.118 1.00 15.70 C ATOM 800 C TRP A 126 -12.908 25.355 -19.059 1.00 15.52 C ATOM 801 O TRP A 126 -14.139 25.373 -19.138 1.00 14.91 O ATOM 802 CB TRP A 126 -11.472 25.038 -21.123 1.00 15.56 C ATOM 803 CG TRP A 126 -12.588 24.278 -21.857 1.00 16.45 C ATOM 804 CD1 TRP A 126 -13.195 24.640 -23.050 1.00 18.45 C ATOM 805 CD2 TRP A 126 -13.240 23.074 -21.435 1.00 16.44 C ATOM 806 NE1 TRP A 126 -14.169 23.723 -23.388 1.00 17.61 N ATOM 807 CE2 TRP A 126 -14.227 22.759 -22.417 1.00 16.89 C ATOM 808 CE3 TRP A 126 -13.096 22.225 -20.326 1.00 16.26 C ATOM 809 CZ2 TRP A 126 -15.042 21.627 -22.325 1.00 18.19 C ATOM 810 CZ3 TRP A 126 -13.920 21.090 -20.239 1.00 17.30 C ATOM 811 CH2 TRP A 126 -14.881 20.814 -21.225 1.00 18.95 C ATOM 812 N MET A 127 -12.273 24.744 -18.066 1.00 14.87 N ATOM 813 CA MET A 127 -13.008 24.039 -16.989 1.00 15.58 C ATOM 814 C MET A 127 -13.891 25.036 -16.251 1.00 14.73 C ATOM 815 O MET A 127 -15.089 24.786 -16.079 1.00 14.76 O ATOM 816 CB MET A 127 -12.010 23.409 -15.965 1.00 15.22 C ATOM 817 CG MET A 127 -10.999 22.434 -16.576 1.00 19.48 C ATOM 818 SD MET A 127 -11.738 20.907 -17.129 1.00 25.73 S ATOM 819 CE MET A 127 -10.480 20.341 -18.340 1.00 21.13 C ATOM 820 N VAL A 128 -13.302 26.161 -15.831 1.00 14.93 N ATOM 821 CA VAL A 128 -14.011 27.205 -15.082 1.00 15.49 C ATOM 822 C VAL A 128 -15.169 27.829 -15.875 1.00 17.24 C ATOM 823 O VAL A 128 -16.194 28.173 -15.314 1.00 16.34 O ATOM 824 CB VAL A 128 -13.017 28.266 -14.520 1.00 15.45 C ATOM 825 CG1 VAL A 128 -13.747 29.398 -13.794 1.00 16.03 C ATOM 826 CG2 VAL A 128 -12.038 27.580 -13.558 1.00 15.17 C ATOM 827 N ARG A 129 -14.982 27.955 -17.182 1.00 17.87 N ATOM 828 CA ARG A 129 -15.981 28.517 -18.059 1.00 20.29 C ATOM 829 C ARG A 129 -17.092 27.545 -18.489 1.00 19.00 C ATOM 830 O ARG A 129 -18.245 27.942 -18.608 1.00 20.44 O ATOM 831 CB ARG A 129 -15.248 29.016 -19.342 1.00 20.23 C ATOM 832 CG ARG A 129 -16.144 29.614 -20.424 1.00 24.97 C ATOM 833 CD ARG A 129 -15.393 30.194 -21.646 1.00 24.50 C ATOM 834 NE ARG A 129 -14.472 29.267 -22.306 1.00 32.90 N ATOM 835 CZ ARG A 129 -13.142 29.270 -22.138 1.00 35.51 C ATOM 836 NH1 ARG A 129 -12.547 30.190 -21.388 1.00 38.86 N ATOM 837 NH2 ARG A 129 -12.390 28.390 -22.770 1.00 35.89 N ATOM 838 N THR A 130 -16.760 26.266 -18.623 1.00 18.48 N ATOM 839 CA THR A 130 -17.683 25.275 -19.140 1.00 18.32 C ATOM 840 C THR A 130 -18.317 24.207 -18.252 1.00 18.09 C ATOM 841 O THR A 130 -19.451 23.776 -18.518 1.00 17.55 O ATOM 842 CB THR A 130 -16.893 24.511 -20.258 1.00 18.49 C ATOM 843 OG1 THR A 130 -16.129 25.461 -21.017 1.00 21.29 O ATOM 844 CG2 THR A 130 -17.799 23.703 -21.143 1.00 21.05 C ATOM 845 N VAL A 131 -17.593 23.773 -17.225 1.00 16.38 N ATOM 846 CA VAL A 131 -18.082 22.712 -16.344 1.00 16.08 C ATOM 847 C VAL A 131 -18.716 23.372 -15.125 1.00 15.56 C ATOM 848 O VAL A 131 -18.005 23.984 -14.315 1.00 15.57 O ATOM 849 CB VAL A 131 -16.928 21.758 -15.967 1.00 15.16 C ATOM 850 CG1 VAL A 131 -17.448 20.610 -15.123 1.00 15.42 C ATOM 851 CG2 VAL A 131 -16.236 21.206 -17.229 1.00 17.67 C ATOM 852 N PRO A 132 -20.046 23.222 -14.965 1.00 15.64 N ATOM 853 CA PRO A 132 -20.729 23.881 -13.833 1.00 14.97 C ATOM 854 C PRO A 132 -20.011 23.793 -12.484 1.00 14.65 C ATOM 855 O PRO A 132 -19.811 24.829 -11.832 1.00 15.31 O ATOM 856 CB PRO A 132 -22.109 23.209 -13.819 1.00 15.56 C ATOM 857 CG PRO A 132 -22.360 22.901 -15.263 1.00 14.81 C ATOM 858 CD PRO A 132 -20.992 22.416 -15.774 1.00 16.00 C ATOM 859 N TYR A 133 -19.584 22.598 -12.099 1.00 14.88 N ATOM 860 CA TYR A 133 -18.884 22.383 -10.809 1.00 15.08 C ATOM 861 C TYR A 133 -17.658 23.281 -10.582 1.00 15.44 C ATOM 862 O TYR A 133 -17.365 23.738 -9.460 1.00 13.99 O ATOM 863 CB TYR A 133 -18.505 20.894 -10.653 1.00 15.64 C ATOM 864 CG TYR A 133 -17.661 20.607 -9.417 1.00 19.01 C ATOM 865 CD1 TYR A 133 -18.255 20.472 -8.147 1.00 20.96 C ATOM 866 CD2 TYR A 133 -16.265 20.475 -9.514 1.00 18.10 C ATOM 867 CE1 TYR A 133 -17.464 20.238 -6.999 1.00 21.11 C ATOM 868 CE2 TYR A 133 -15.468 20.217 -8.382 1.00 19.96 C ATOM 869 CZ TYR A 133 -16.074 20.079 -7.138 1.00 20.66 C ATOM 870 OH TYR A 133 -15.271 19.852 -6.044 1.00 21.45 O ATOM 871 N PHE A 134 -16.947 23.566 -11.675 1.00 14.78 N ATOM 872 CA PHE A 134 -15.747 24.403 -11.614 1.00 14.30 C ATOM 873 C PHE A 134 -15.976 25.894 -11.784 1.00 14.83 C ATOM 874 O PHE A 134 -15.050 26.686 -11.587 1.00 14.43 O ATOM 875 CB PHE A 134 -14.688 23.910 -12.624 1.00 13.55 C ATOM 876 CG PHE A 134 -14.177 22.546 -12.320 1.00 12.62 C ATOM 877 CD1 PHE A 134 -14.648 21.437 -13.000 1.00 14.98 C ATOM 878 CD2 PHE A 134 -13.281 22.361 -11.258 1.00 14.95 C ATOM 879 CE1 PHE A 134 -14.194 20.147 -12.682 1.00 15.68 C ATOM 880 CE2 PHE A 134 -12.839 21.078 -10.916 1.00 15.61 C ATOM 881 CZ PHE A 134 -13.284 19.973 -11.627 1.00 16.15 C ATOM 882 N LYS A 135 -17.209 26.281 -12.091 1.00 17.16 N ATOM 883 CA LYS A 135 -17.526 27.687 -12.309 1.00 19.61 C ATOM 884 C LYS A 135 -17.201 28.634 -11.167 1.00 21.23 C ATOM 885 O LYS A 135 -16.875 29.786 -11.418 1.00 22.24 O ATOM 886 CB LYS A 135 -18.945 27.904 -12.870 1.00 19.49 C ATOM 887 CG LYS A 135 -19.143 27.297 -14.253 1.00 19.21 C ATOM 888 CD LYS A 135 -20.520 27.601 -14.813 1.00 19.57 C ATOM 889 CE LYS A 135 -20.733 26.961 -16.169 1.00 19.72 C ATOM 890 NZ LYS A 135 -22.076 27.373 -16.713 1.00 20.87 N ATOM 891 N ASP A 136 -17.275 28.156 -9.935 1.00 23.34 N ATOM 892 CA ASP A 136 -16.963 29.012 -8.802 1.00 26.26 C ATOM 893 C ASP A 136 -15.564 28.684 -8.239 1.00 26.50 C ATOM 894 O ASP A 136 -15.253 28.991 -7.085 1.00 27.71 O ATOM 895 CB ASP A 136 -18.040 28.862 -7.715 1.00 26.75 C ATOM 896 CG ASP A 136 -18.131 27.439 -7.146 1.00 31.17 C ATOM 897 OD1 ASP A 136 -17.606 26.462 -7.741 1.00 32.60 O ATOM 898 OD2 ASP A 136 -18.760 27.291 -6.073 1.00 36.73 O ATOM 899 N LYS A 137 -14.703 28.089 -9.061 1.00 26.73 N ATOM 900 CA LYS A 137 -13.354 27.712 -8.604 1.00 26.32 C ATOM 901 C LYS A 137 -12.186 28.360 -9.328 1.00 26.98 C ATOM 902 O LYS A 137 -11.050 27.930 -9.181 1.00 27.78 O ATOM 903 CB LYS A 137 -13.217 26.185 -8.608 1.00 26.56 C ATOM 904 CG LYS A 137 -14.195 25.528 -7.663 1.00 26.37 C ATOM 905 CD LYS A 137 -14.063 24.053 -7.589 1.00 29.34 C ATOM 906 CE LYS A 137 -15.045 23.517 -6.552 1.00 28.99 C ATOM 907 NZ LYS A 137 -16.452 23.809 -6.882 1.00 25.87 N ATOM 908 N GLY A 138 -12.444 29.415 -10.085 1.00 28.10 N ATOM 909 CA GLY A 138 -11.379 30.092 -10.814 1.00 28.91 C ATOM 910 C GLY A 138 -10.399 30.842 -9.926 1.00 30.53 C ATOM 911 O GLY A 138 -9.253 31.085 -10.315 1.00 29.81 O ATOM 912 N ASP A 139 -10.836 31.169 -8.713 1.00 31.48 N ATOM 913 CA ASP A 139 -10.015 31.911 -7.765 1.00 33.35 C ATOM 914 C ASP A 139 -8.896 31.131 -7.040 1.00 33.01 C ATOM 915 O ASP A 139 -8.051 31.714 -6.351 1.00 34.80 O ATOM 916 CB ASP A 139 -10.942 32.684 -6.804 1.00 34.71 C ATOM 917 CG ASP A 139 -11.999 31.786 -6.120 1.00 38.91 C ATOM 918 OD1 ASP A 139 -11.924 30.529 -6.195 1.00 42.93 O ATOM 919 OD2 ASP A 139 -12.931 32.362 -5.498 1.00 44.62 O ATOM 920 N SER A 140 -8.857 29.827 -7.257 1.00 31.81 N ATOM 921 CA SER A 140 -7.888 28.944 -6.644 1.00 30.03 C ATOM 922 C SER A 140 -6.468 29.013 -7.226 1.00 29.04 C ATOM 923 O SER A 140 -6.268 29.424 -8.377 1.00 28.11 O ATOM 924 CB SER A 140 -8.387 27.518 -6.812 1.00 30.87 C ATOM 925 OG SER A 140 -8.522 27.228 -8.197 1.00 30.84 O ATOM 926 N ASN A 141 -5.484 28.613 -6.424 1.00 26.97 N ATOM 927 CA ASN A 141 -4.103 28.606 -6.912 1.00 25.35 C ATOM 928 C ASN A 141 -3.793 27.182 -7.410 1.00 23.77 C ATOM 929 O ASN A 141 -4.666 26.298 -7.369 1.00 22.29 O ATOM 930 CB ASN A 141 -3.108 29.130 -5.873 1.00 25.56 C ATOM 931 CG ASN A 141 -2.986 28.242 -4.664 1.00 27.39 C ATOM 932 OD1 ASN A 141 -3.324 27.049 -4.691 1.00 26.74 O ATOM 933 ND2 ASN A 141 -2.437 28.811 -3.585 1.00 31.85 N ATOM 934 N SER A 142 -2.569 26.954 -7.892 1.00 22.90 N ATOM 935 CA SER A 142 -2.158 25.632 -8.426 1.00 21.68 C ATOM 936 C SER A 142 -2.195 24.447 -7.492 1.00 21.92 C ATOM 937 O SER A 142 -2.207 23.294 -7.941 1.00 20.52 O ATOM 938 CB SER A 142 -0.805 25.721 -9.168 1.00 21.92 C ATOM 939 OG SER A 142 -0.981 26.524 -10.314 1.00 21.80 O ATOM 940 N SER A 143 -2.242 24.716 -6.183 1.00 21.88 N ATOM 941 CA SER A 143 -2.307 23.616 -5.219 1.00 22.07 C ATOM 942 C SER A 143 -3.739 23.059 -5.157 1.00 21.05 C ATOM 943 O SER A 143 -3.966 22.029 -4.535 1.00 21.69 O ATOM 944 CB SER A 143 -1.838 24.075 -3.827 1.00 22.80 C ATOM 945 OG SER A 143 -2.712 25.074 -3.326 1.00 25.85 O ATOM 946 N ALA A 144 -4.712 23.744 -5.781 1.00 20.10 N ATOM 947 CA ALA A 144 -6.092 23.247 -5.786 1.00 18.67 C ATOM 948 C ALA A 144 -6.005 21.814 -6.290 1.00 18.78 C ATOM 949 O ALA A 144 -5.310 21.541 -7.297 1.00 17.85 O ATOM 950 CB ALA A 144 -6.978 24.085 -6.701 1.00 19.19 C ATOM 951 N GLY A 145 -6.675 20.900 -5.587 1.00 17.18 N ATOM 952 CA GLY A 145 -6.680 19.478 -5.927 1.00 16.52 C ATOM 953 C GLY A 145 -6.964 19.199 -7.401 1.00 16.18 C ATOM 954 O GLY A 145 -6.238 18.450 -8.052 1.00 15.27 O ATOM 955 N TRP A 146 -8.001 19.827 -7.932 1.00 14.73 N ATOM 956 CA TRP A 146 -8.373 19.605 -9.326 1.00 14.07 C ATOM 957 C TRP A 146 -7.312 20.094 -10.315 1.00 13.55 C ATOM 958 O TRP A 146 -7.188 19.505 -11.406 1.00 13.68 O ATOM 959 CB TRP A 146 -9.751 20.190 -9.636 1.00 14.16 C ATOM 960 CG TRP A 146 -9.867 21.679 -9.545 1.00 14.62 C ATOM 961 CD1 TRP A 146 -10.154 22.429 -8.427 1.00 16.45 C ATOM 962 CD2 TRP A 146 -9.764 22.605 -10.633 1.00 15.98 C ATOM 963 NE1 TRP A 146 -10.216 23.761 -8.757 1.00 17.37 N ATOM 964 CE2 TRP A 146 -9.994 23.898 -10.106 1.00 16.33 C ATOM 965 CE3 TRP A 146 -9.497 22.466 -12.010 1.00 16.69 C ATOM 966 CZ2 TRP A 146 -9.966 25.050 -10.900 1.00 16.86 C ATOM 967 CZ3 TRP A 146 -9.471 23.619 -12.805 1.00 16.90 C ATOM 968 CH2 TRP A 146 -9.692 24.899 -12.239 1.00 15.80 C ATOM 969 N LYS A 147 -6.595 21.171 -9.977 1.00 12.03 N ATOM 970 CA LYS A 147 -5.527 21.658 -10.898 1.00 12.30 C ATOM 971 C LYS A 147 -4.370 20.664 -10.901 1.00 12.70 C ATOM 972 O LYS A 147 -3.800 20.376 -11.944 1.00 12.26 O ATOM 973 CB LYS A 147 -5.054 23.079 -10.587 1.00 12.40 C ATOM 974 CG LYS A 147 -6.129 24.130 -10.856 1.00 11.76 C ATOM 975 CD LYS A 147 -5.585 25.530 -10.601 1.00 10.44 C ATOM 976 CE LYS A 147 -6.606 26.572 -11.002 1.00 14.13 C ATOM 977 NZ LYS A 147 -6.092 27.944 -10.743 1.00 16.89 N ATOM 978 N ASN A 148 -4.029 20.154 -9.703 1.00 11.96 N ATOM 979 CA ASN A 148 -2.964 19.170 -9.524 1.00 11.62 C ATOM 980 C ASN A 148 -3.358 17.895 -10.327 1.00 11.82 C ATOM 981 O ASN A 148 -2.532 17.311 -11.050 1.00 10.71 O ATOM 982 CB ASN A 148 -2.836 18.909 -8.011 1.00 12.09 C ATOM 983 CG ASN A 148 -1.653 18.028 -7.646 1.00 14.81 C ATOM 984 OD1 ASN A 148 -1.062 17.310 -8.481 1.00 15.14 O ATOM 985 ND2 ASN A 148 -1.291 18.081 -6.356 1.00 15.14 N ATOM 986 N SER A 149 -4.624 17.498 -10.236 1.00 9.87 N ATOM 987 CA SER A 149 -5.112 16.322 -10.958 1.00 10.32 C ATOM 988 C SER A 149 -4.976 16.525 -12.478 1.00 10.12 C ATOM 989 O SER A 149 -4.627 15.592 -13.176 1.00 10.26 O ATOM 990 CB SER A 149 -6.551 15.965 -10.577 1.00 11.17 C ATOM 991 OG SER A 149 -6.631 15.511 -9.220 1.00 12.82 O ATOM 992 N ILE A 150 -5.256 17.731 -12.957 1.00 9.77 N ATOM 993 CA ILE A 150 -5.103 18.046 -14.400 1.00 10.83 C ATOM 994 C ILE A 150 -3.639 17.891 -14.830 1.00 11.29 C ATOM 995 O ILE A 150 -3.348 17.202 -15.817 1.00 10.61 O ATOM 996 CB ILE A 150 -5.658 19.417 -14.743 1.00 10.25 C ATOM 997 CG1 ILE A 150 -7.186 19.324 -14.622 1.00 12.58 C ATOM 998 CG2 ILE A 150 -5.261 19.833 -16.209 1.00 10.00 C ATOM 999 CD1 ILE A 150 -7.917 20.634 -14.810 1.00 19.35 C ATOM 1000 N ARG A 151 -2.725 18.522 -14.096 1.00 11.10 N ATOM 1001 CA ARG A 151 -1.292 18.423 -14.414 1.00 11.75 C ATOM 1002 C ARG A 151 -0.856 16.959 -14.405 1.00 12.34 C ATOM 1003 O ARG A 151 -0.150 16.529 -15.315 1.00 11.35 O ATOM 1004 CB ARG A 151 -0.409 19.267 -13.463 1.00 11.74 C ATOM 1005 CG ARG A 151 -0.721 20.769 -13.479 1.00 10.83 C ATOM 1006 CD ARG A 151 0.305 21.575 -12.627 1.00 12.00 C ATOM 1007 NE ARG A 151 0.335 21.168 -11.215 1.00 13.64 N ATOM 1008 CZ ARG A 151 -0.479 21.647 -10.279 1.00 13.81 C ATOM 1009 NH1 ARG A 151 -0.335 21.243 -9.024 1.00 14.32 N ATOM 1010 NH2 ARG A 151 -1.425 22.545 -10.582 1.00 12.03 N ATOM 1011 N HIS A 152 -1.300 16.193 -13.397 1.00 11.51 N ATOM 1012 CA HIS A 152 -0.977 14.762 -13.266 1.00 12.55 C ATOM 1013 C HIS A 152 -1.413 13.974 -14.530 1.00 12.86 C ATOM 1014 O HIS A 152 -0.637 13.132 -15.065 1.00 12.67 O ATOM 1015 CB HIS A 152 -1.645 14.199 -11.988 1.00 12.84 C ATOM 1016 CG HIS A 152 -1.412 12.732 -11.763 1.00 13.59 C ATOM 1017 ND1 HIS A 152 -0.337 12.069 -11.286 1.00 9.94 N ATOM 1018 CD2 HIS A 152 -2.341 11.767 -12.089 1.00 15.58 C ATOM 1019 CE1 HIS A 152 -0.643 10.729 -11.309 1.00 15.60 C ATOM 1020 NE2 HIS A 152 -1.853 10.574 -11.807 1.00 11.06 N ATOM 1021 N ASN A 153 -2.651 14.214 -14.964 1.00 12.67 N ATOM 1022 CA ASN A 153 -3.198 13.557 -16.164 1.00 13.48 C ATOM 1023 C ASN A 153 -2.431 13.904 -17.432 1.00 13.50 C ATOM 1024 O ASN A 153 -2.203 13.023 -18.272 1.00 14.03 O ATOM 1025 CB ASN A 153 -4.703 13.791 -16.412 1.00 12.72 C ATOM 1026 CG ASN A 153 -5.611 12.886 -15.578 1.00 15.00 C ATOM 1027 OD1 ASN A 153 -6.117 11.897 -16.124 1.00 15.08 O ATOM 1028 ND2 ASN A 153 -5.747 13.142 -14.274 1.00 13.97 N ATOM 1029 N LEU A 154 -2.119 15.189 -17.591 1.00 13.21 N ATOM 1030 CA LEU A 154 -1.354 15.639 -18.774 1.00 14.90 C ATOM 1031 C LEU A 154 -0.029 14.891 -18.915 1.00 16.42 C ATOM 1032 O LEU A 154 0.356 14.490 -20.027 1.00 16.37 O ATOM 1033 CB LEU A 154 -1.149 17.157 -18.733 1.00 13.52 C ATOM 1034 CG LEU A 154 -2.387 18.031 -19.023 1.00 14.09 C ATOM 1035 CD1 LEU A 154 -2.140 19.471 -18.687 1.00 12.85 C ATOM 1036 CD2 LEU A 154 -2.838 17.871 -20.490 1.00 16.71 C ATOM 1037 N SER A 155 0.667 14.692 -17.793 1.00 16.56 N ATOM 1038 CA SER A 155 1.949 13.971 -17.809 1.00 18.57 C ATOM 1039 C SER A 155 1.843 12.471 -17.889 1.00 19.68 C ATOM 1040 O SER A 155 2.667 11.813 -18.531 1.00 20.14 O ATOM 1041 CB SER A 155 2.759 14.261 -16.529 1.00 17.42 C ATOM 1042 OG SER A 155 3.103 15.606 -16.449 1.00 19.82 O ATOM 1043 N LEU A 156 0.843 11.920 -17.205 1.00 22.02 N ATOM 1044 CA LEU A 156 0.644 10.482 -17.138 1.00 23.13 C ATOM 1045 C LEU A 156 0.250 9.829 -18.443 1.00 24.14 C ATOM 1046 O LEU A 156 0.815 8.780 -18.812 1.00 24.50 O ATOM 1047 CB LEU A 156 -0.447 10.152 -16.091 1.00 23.68 C ATOM 1048 CG LEU A 156 -0.648 8.666 -15.758 1.00 24.44 C ATOM 1049 CD1 LEU A 156 0.625 8.187 -15.046 1.00 28.22 C ATOM 1050 CD2 LEU A 156 -1.843 8.453 -14.840 1.00 23.99 C ATOM 1051 N HIS A 157 -0.702 10.439 -19.145 1.00 23.88 N ATOM 1052 CA HIS A 157 -1.187 9.869 -20.386 1.00 25.23 C ATOM 1053 C HIS A 157 -0.418 10.292 -21.624 1.00 25.50 C ATOM 1054 O HIS A 157 -0.275 11.466 -21.883 1.00 23.64 O ATOM 1055 CB HIS A 157 -2.686 10.166 -20.542 1.00 24.73 C ATOM 1056 CG HIS A 157 -3.466 9.794 -19.324 1.00 27.67 C ATOM 1057 ND1 HIS A 157 -3.661 8.484 -18.946 1.00 30.21 N ATOM 1058 CD2 HIS A 157 -4.076 10.555 -18.381 1.00 26.99 C ATOM 1059 CE1 HIS A 157 -4.346 8.454 -17.813 1.00 29.07 C ATOM 1060 NE2 HIS A 157 -4.615 9.694 -17.454 1.00 27.63 N ATOM 1061 N SER A 158 0.066 9.297 -22.374 1.00 26.96 N ATOM 1062 CA SER A 158 0.819 9.537 -23.606 1.00 27.83 C ATOM 1063 C SER A 158 -0.051 10.257 -24.646 1.00 28.26 C ATOM 1064 O SER A 158 0.496 10.938 -25.530 1.00 28.41 O ATOM 1065 CB SER A 158 1.323 8.226 -24.198 1.00 27.88 C ATOM 1066 OG SER A 158 0.214 7.407 -24.529 1.00 30.15 O ATOM 1067 N LYS A 159 -1.381 10.124 -24.530 1.00 28.48 N ATOM 1068 CA LYS A 159 -2.319 10.788 -25.463 1.00 28.80 C ATOM 1069 C LYS A 159 -2.210 12.316 -25.419 1.00 27.02 C ATOM 1070 O LYS A 159 -2.658 12.996 -26.342 1.00 27.89 O ATOM 1071 CB LYS A 159 -3.779 10.330 -25.278 1.00 29.28 C ATOM 1072 CG LYS A 159 -4.425 10.594 -23.921 1.00 31.49 C ATOM 1073 CD LYS A 159 -5.930 10.178 -23.887 1.00 31.56 C ATOM 1074 CE LYS A 159 -6.799 11.011 -24.876 1.00 35.93 C ATOM 1075 NZ LYS A 159 -8.283 10.680 -24.903 1.00 34.80 N ATOM 1076 N PHE A 160 -1.622 12.869 -24.357 1.00 24.55 N ATOM 1077 CA PHE A 160 -1.466 14.323 -24.289 1.00 22.18 C ATOM 1078 C PHE A 160 -0.029 14.626 -24.624 1.00 22.32 C ATOM 1079 O PHE A 160 0.876 14.095 -23.984 1.00 22.43 O ATOM 1080 CB PHE A 160 -1.851 14.924 -22.914 1.00 20.65 C ATOM 1081 CG PHE A 160 -3.265 14.626 -22.513 1.00 18.58 C ATOM 1082 CD1 PHE A 160 -3.548 13.804 -21.427 1.00 16.01 C ATOM 1083 CD2 PHE A 160 -4.318 15.096 -23.296 1.00 18.14 C ATOM 1084 CE1 PHE A 160 -4.864 13.508 -21.079 1.00 17.33 C ATOM 1085 CE2 PHE A 160 -5.636 14.797 -22.975 1.00 18.17 C ATOM 1086 CZ PHE A 160 -5.915 13.996 -21.876 1.00 17.97 C ATOM 1087 N ILE A 161 0.178 15.460 -25.639 1.00 21.23 N ATOM 1088 CA ILE A 161 1.533 15.830 -26.057 1.00 22.80 C ATOM 1089 C ILE A 161 1.853 17.300 -25.816 1.00 20.16 C ATOM 1090 O ILE A 161 1.077 18.192 -26.147 1.00 19.50 O ATOM 1091 CB ILE A 161 1.838 15.442 -27.531 1.00 22.78 C ATOM 1092 CG1 ILE A 161 0.888 16.162 -28.489 1.00 25.33 C ATOM 1093 CG2 ILE A 161 1.724 13.926 -27.707 1.00 25.63 C ATOM 1094 CD1 ILE A 161 1.116 15.838 -29.969 1.00 26.60 C ATOM 1095 N LYS A 162 3.039 17.520 -25.276 1.00 19.12 N ATOM 1096 CA LYS A 162 3.535 18.846 -24.938 1.00 19.29 C ATOM 1097 C LYS A 162 4.362 19.412 -26.097 1.00 19.30 C ATOM 1098 O LYS A 162 5.260 18.726 -26.599 1.00 18.90 O ATOM 1099 CB LYS A 162 4.406 18.675 -23.687 1.00 19.87 C ATOM 1100 CG LYS A 162 4.916 19.940 -23.050 1.00 21.61 C ATOM 1101 CD LYS A 162 5.770 19.624 -21.831 1.00 20.21 C ATOM 1102 CE LYS A 162 6.979 18.786 -22.223 1.00 26.15 C ATOM 1103 NZ LYS A 162 7.835 18.462 -21.078 1.00 28.45 N ATOM 1104 N VAL A 163 4.052 20.641 -26.511 1.00 17.98 N ATOM 1105 CA VAL A 163 4.769 21.310 -27.610 1.00 19.31 C ATOM 1106 C VAL A 163 5.264 22.691 -27.173 1.00 19.36 C ATOM 1107 O VAL A 163 4.535 23.452 -26.516 1.00 18.53 O ATOM 1108 CB VAL A 163 3.837 21.489 -28.854 1.00 19.07 C ATOM 1109 CG1 VAL A 163 4.603 22.095 -30.042 1.00 20.44 C ATOM 1110 CG2 VAL A 163 3.130 20.148 -29.216 1.00 19.73 C ATOM 1111 N HIS A 164 6.503 23.025 -27.554 1.00 20.34 N ATOM 1112 CA HIS A 164 7.081 24.320 -27.218 1.00 22.04 C ATOM 1113 C HIS A 164 6.201 25.475 -27.682 1.00 22.88 C ATOM 1114 O HIS A 164 5.620 25.424 -28.776 1.00 22.74 O ATOM 1115 CB HIS A 164 8.480 24.465 -27.834 1.00 23.48 C ATOM 1116 CG HIS A 164 9.088 25.809 -27.614 1.00 24.31 C ATOM 1117 ND1 HIS A 164 9.021 26.817 -28.554 1.00 26.41 N ATOM 1118 CD2 HIS A 164 9.709 26.341 -26.534 1.00 24.70 C ATOM 1119 CE1 HIS A 164 9.616 27.899 -28.081 1.00 26.35 C ATOM 1120 NE2 HIS A 164 10.045 27.635 -26.858 1.00 27.81 N ATOM 1121 N ASN A 165 6.094 26.500 -26.835 1.00 23.69 N ATOM 1122 CA ASN A 165 5.313 27.700 -27.103 1.00 25.32 C ATOM 1123 C ASN A 165 6.255 28.904 -27.267 1.00 27.40 C ATOM 1124 O ASN A 165 6.982 29.247 -26.333 1.00 26.52 O ATOM 1125 CB ASN A 165 4.343 27.941 -25.946 1.00 25.24 C ATOM 1126 CG ASN A 165 3.427 29.120 -26.163 1.00 25.02 C ATOM 1127 OD1 ASN A 165 3.633 29.959 -27.060 1.00 25.91 O ATOM 1128 ND2 ASN A 165 2.390 29.202 -25.334 1.00 21.35 N ATOM 1129 N GLU A 166 6.228 29.531 -28.448 1.00 29.50 N ATOM 1130 CA GLU A 166 7.070 30.712 -28.783 1.00 32.93 C ATOM 1131 C GLU A 166 6.817 31.961 -27.922 1.00 33.64 C ATOM 1132 O GLU A 166 7.727 32.779 -27.740 1.00 33.81 O ATOM 1133 CB GLU A 166 6.897 31.117 -30.272 1.00 32.40 C ATOM 1134 CG GLU A 166 7.364 30.089 -31.307 1.00 34.90 C ATOM 1135 CD GLU A 166 7.045 30.460 -32.798 1.00 35.93 C ATOM 1136 OE1 GLU A 166 6.083 31.216 -33.101 1.00 37.88 O ATOM 1137 OE2 GLU A 166 7.741 29.937 -33.689 1.00 40.63 O ATOM 1138 N ALA A 167 5.588 32.130 -27.438 1.00 34.74 N ATOM 1139 CA ALA A 167 5.216 33.293 -26.603 1.00 36.09 C ATOM 1140 C ALA A 167 6.052 33.365 -25.313 1.00 37.01 C ATOM 1141 O ALA A 167 5.879 32.568 -24.395 1.00 37.46 O ATOM 1142 CB ALA A 167 3.717 33.285 -26.308 1.00 35.67 C ATOM 1143 N THR A 168 6.956 34.345 -25.272 1.00 38.53 N ATOM 1144 CA THR A 168 7.906 34.588 -24.149 1.00 39.05 C ATOM 1145 C THR A 168 7.550 34.223 -22.708 1.00 38.84 C ATOM 1146 O THR A 168 8.324 33.498 -22.044 1.00 39.24 O ATOM 1147 CB THR A 168 8.505 36.032 -24.171 1.00 39.52 C ATOM 1148 OG1 THR A 168 7.433 36.982 -24.193 1.00 41.00 O ATOM 1149 CG2 THR A 168 9.404 36.241 -25.399 1.00 38.90 C ATOM 1150 N GLY A 169 6.418 34.722 -22.215 1.00 37.95 N ATOM 1151 CA GLY A 169 6.024 34.422 -20.837 1.00 37.04 C ATOM 1152 C GLY A 169 4.914 33.404 -20.680 1.00 36.32 C ATOM 1153 O GLY A 169 4.182 33.442 -19.683 1.00 36.65 O ATOM 1154 N LYS A 170 4.781 32.492 -21.651 1.00 34.17 N ATOM 1155 CA LYS A 170 3.735 31.473 -21.591 1.00 32.20 C ATOM 1156 C LYS A 170 4.326 30.069 -21.607 1.00 29.60 C ATOM 1157 O LYS A 170 5.414 29.850 -22.141 1.00 30.18 O ATOM 1158 CB LYS A 170 2.695 31.683 -22.699 1.00 33.18 C ATOM 1159 CG LYS A 170 1.994 33.050 -22.600 1.00 36.01 C ATOM 1160 CD LYS A 170 1.022 33.254 -23.736 1.00 41.42 C ATOM 1161 CE LYS A 170 0.330 34.618 -23.685 1.00 44.18 C ATOM 1162 NZ LYS A 170 -0.600 34.786 -24.856 1.00 45.31 N ATOM 1163 N SER A 171 3.599 29.118 -21.021 1.00 25.61 N ATOM 1164 CA SER A 171 4.055 27.730 -20.938 1.00 22.33 C ATOM 1165 C SER A 171 3.768 26.930 -22.219 1.00 19.84 C ATOM 1166 O SER A 171 3.282 27.497 -23.204 1.00 19.59 O ATOM 1167 CB SER A 171 3.457 27.065 -19.698 1.00 21.87 C ATOM 1168 OG SER A 171 2.037 27.061 -19.749 1.00 23.09 O ATOM 1169 N SER A 172 3.996 25.621 -22.171 1.00 17.53 N ATOM 1170 CA SER A 172 3.813 24.746 -23.337 1.00 16.86 C ATOM 1171 C SER A 172 2.394 24.582 -23.864 1.00 15.99 C ATOM 1172 O SER A 172 1.396 24.751 -23.146 1.00 14.02 O ATOM 1173 CB SER A 172 4.310 23.332 -23.006 1.00 16.99 C ATOM 1174 OG SER A 172 5.642 23.347 -22.538 1.00 20.64 O ATOM 1175 N TRP A 173 2.302 24.263 -25.156 1.00 15.33 N ATOM 1176 CA TRP A 173 1.011 24.000 -25.737 1.00 14.54 C ATOM 1177 C TRP A 173 0.733 22.537 -25.491 1.00 14.54 C ATOM 1178 O TRP A 173 1.635 21.728 -25.607 1.00 15.37 O ATOM 1179 CB TRP A 173 0.987 24.209 -27.265 1.00 14.60 C ATOM 1180 CG TRP A 173 1.143 25.606 -27.664 1.00 14.74 C ATOM 1181 CD1 TRP A 173 2.267 26.202 -28.188 1.00 15.04 C ATOM 1182 CD2 TRP A 173 0.153 26.636 -27.547 1.00 15.61 C ATOM 1183 NE1 TRP A 173 2.017 27.536 -28.428 1.00 14.98 N ATOM 1184 CE2 TRP A 173 0.734 27.830 -28.045 1.00 15.42 C ATOM 1185 CE3 TRP A 173 -1.176 26.666 -27.084 1.00 14.80 C ATOM 1186 CZ2 TRP A 173 0.037 29.037 -28.086 1.00 15.03 C ATOM 1187 CZ3 TRP A 173 -1.870 27.860 -27.133 1.00 15.41 C ATOM 1188 CH2 TRP A 173 -1.270 29.032 -27.617 1.00 15.91 C ATOM 1189 N TRP A 174 -0.511 22.186 -25.158 1.00 13.65 N ATOM 1190 CA TRP A 174 -0.881 20.789 -24.955 1.00 14.32 C ATOM 1191 C TRP A 174 -1.807 20.373 -26.103 1.00 15.30 C ATOM 1192 O TRP A 174 -2.744 21.087 -26.431 1.00 14.87 O ATOM 1193 CB TRP A 174 -1.558 20.549 -23.601 1.00 13.34 C ATOM 1194 CG TRP A 174 -0.568 20.640 -22.477 1.00 12.67 C ATOM 1195 CD1 TRP A 174 -0.269 21.714 -21.706 1.00 12.31 C ATOM 1196 CD2 TRP A 174 0.265 19.572 -22.046 1.00 12.05 C ATOM 1197 NE1 TRP A 174 0.715 21.371 -20.789 1.00 10.98 N ATOM 1198 CE2 TRP A 174 1.059 20.060 -20.983 1.00 12.04 C ATOM 1199 CE3 TRP A 174 0.426 18.237 -22.465 1.00 10.38 C ATOM 1200 CZ2 TRP A 174 2.006 19.258 -20.316 1.00 11.16 C ATOM 1201 CZ3 TRP A 174 1.361 17.432 -21.799 1.00 11.43 C ATOM 1202 CH2 TRP A 174 2.135 17.951 -20.731 1.00 11.66 C ATOM 1203 N MET A 175 -1.541 19.214 -26.690 1.00 16.83 N ATOM 1204 CA MET A 175 -2.367 18.741 -27.791 1.00 20.38 C ATOM 1205 C MET A 175 -2.667 17.268 -27.588 1.00 21.26 C ATOM 1206 O MET A 175 -2.080 16.622 -26.711 1.00 20.60 O ATOM 1207 CB MET A 175 -1.614 18.910 -29.124 1.00 19.38 C ATOM 1208 CG MET A 175 -1.106 20.295 -29.336 1.00 22.90 C ATOM 1209 SD MET A 175 -0.321 20.518 -30.968 1.00 24.27 S ATOM 1210 CE MET A 175 -1.747 20.432 -32.072 1.00 25.58 C ATOM 1211 N LEU A 176 -3.590 16.746 -28.393 1.00 23.09 N ATOM 1212 CA LEU A 176 -3.968 15.340 -28.321 1.00 26.92 C ATOM 1213 C LEU A 176 -3.151 14.491 -29.285 1.00 29.49 C ATOM 1214 O LEU A 176 -2.831 14.935 -30.394 1.00 30.45 O ATOM 1215 CB LEU A 176 -5.438 15.158 -28.653 1.00 27.12 C ATOM 1216 CG LEU A 176 -6.461 15.765 -27.703 1.00 28.07 C ATOM 1217 CD1 LEU A 176 -7.840 15.655 -28.265 1.00 31.74 C ATOM 1218 CD2 LEU A 176 -6.366 15.039 -26.397 1.00 30.60 C ATOM 1219 N ASN A 177 -2.885 13.263 -28.837 1.00 32.24 N ATOM 1220 CA ASN A 177 -2.127 12.192 -29.517 1.00 35.01 C ATOM 1221 C ASN A 177 -0.656 12.151 -29.156 1.00 36.09 C ATOM 1222 O ASN A 177 -0.220 11.245 -28.423 1.00 38.29 O ATOM 1223 CB ASN A 177 -2.334 12.174 -31.026 1.00 35.64 C ATOM 1224 CG ASN A 177 -3.762 11.881 -31.411 1.00 37.90 C ATOM 1225 OD1 ASN A 177 -4.620 11.621 -30.553 1.00 38.27 O ATOM 1226 ND2 ASN A 177 -4.029 11.901 -32.718 1.00 39.37 N TER 1227 ASN A 177 HETATM 1228 MG MG C 2 -11.999 3.761 3.375 1.00 20.97 MG HETATM 1229 MG MG A 1 1.745 13.393 -21.686 1.00 29.99 MG HETATM 1230 O HOH B 14 -9.004 8.847 -5.092 1.00 30.59 O HETATM 1231 O HOH B 15 -4.229 8.798 -12.308 1.00 29.68 O HETATM 1232 O HOH B 16 20.406 20.070 -13.372 1.00 16.50 O HETATM 1233 O HOH B 17 -2.496 14.693 -8.784 1.00 13.51 O HETATM 1234 O HOH B 18 7.726 22.921 -5.340 1.00 26.21 O HETATM 1235 O HOH B 19 -7.363 11.003 -12.927 1.00 20.53 O HETATM 1236 O HOH B 20 -4.553 -2.486 -6.621 1.00 22.15 O HETATM 1237 O HOH B 21 1.003 11.662 -1.341 1.00 25.41 O HETATM 1238 O HOH B 22 -3.474 10.557 -2.004 1.00 25.60 O HETATM 1239 O HOH B 23 5.019 12.706 -3.137 1.00 24.26 O HETATM 1240 O HOH B 24 -4.557 17.108 -4.574 1.00 15.78 O HETATM 1241 O HOH B 25 11.258 20.370 -13.824 1.00 23.80 O HETATM 1242 O HOH B 26 13.657 27.115 -6.860 1.00 26.51 O HETATM 1243 O HOH B 27 9.994 24.635 -15.059 1.00 25.27 O HETATM 1244 O HOH B 28 3.102 18.863 -4.192 1.00 26.63 O HETATM 1245 O HOH B 29 -0.711 18.625 -2.297 1.00 22.99 O HETATM 1246 O HOH B 30 -7.972 8.468 -17.791 1.00 26.74 O HETATM 1247 O HOH B 31 -1.842 3.644 -10.839 1.00 20.25 O HETATM 1248 O HOH B 32 0.018 16.631 4.727 1.00 37.49 O HETATM 1249 O HOH B 33 12.722 24.196 -6.698 1.00 32.78 O HETATM 1250 O HOH B 34 -7.624 9.414 -2.610 1.00 39.11 O HETATM 1251 O HOH B 35 -6.611 4.629 -19.316 1.00 37.13 O HETATM 1252 O HOH B 36 17.268 19.184 -15.454 1.00 30.15 O HETATM 1253 O HOH B 37 -4.354 4.877 -16.661 1.00 27.98 O HETATM 1254 O HOH B 38 9.715 13.237 -6.325 1.00 34.40 O HETATM 1255 O HOH B 39 -8.928 17.314 -4.963 1.00 29.26 O HETATM 1256 O HOH B 40 -8.553 16.358 -7.659 1.00 27.60 O HETATM 1257 O HOH B 41 -10.793 6.584 -8.279 1.00 41.58 O HETATM 1258 O HOH B 42 -8.555 13.275 0.285 1.00 39.46 O HETATM 1259 O HOH B 43 1.983 17.869 3.606 1.00 39.99 O HETATM 1260 O HOH B 44 0.143 -4.699 -11.254 1.00 39.76 O HETATM 1261 O HOH B 45 3.795 11.863 -0.765 1.00 33.56 O HETATM 1262 O HOH B 46 16.346 27.489 -19.249 1.00 41.86 O HETATM 1263 O HOH B 47 -1.167 11.687 0.520 1.00 44.98 O HETATM 1264 O HOH B 48 -5.699 -3.838 -4.327 1.00 30.70 O HETATM 1265 O HOH B 49 17.104 23.347 -18.619 1.00 31.77 O HETATM 1266 O HOH B 50 -10.229 -1.363 -14.378 1.00 37.90 O HETATM 1267 O HOH B 51 -4.092 2.448 -15.707 1.00 28.91 O HETATM 1268 O HOH B 52 -13.830 16.699 -6.479 1.00 42.54 O HETATM 1269 O HOH B 53 -11.622 3.216 -12.388 1.00 31.18 O HETATM 1270 O HOH B 54 -11.613 16.469 -4.345 1.00 47.91 O HETATM 1271 O HOH B 55 13.669 18.555 -1.234 1.00 35.01 O HETATM 1272 O HOH B 56 -0.493 -6.757 -9.817 1.00 38.18 O HETATM 1273 O HOH B 57 -11.825 15.043 -2.111 1.00 41.58 O HETATM 1274 O HOH B 58 -2.366 7.631 -11.194 1.00 31.51 O HETATM 1275 O HOH B 59 13.244 16.324 2.396 1.00 39.04 O HETATM 1276 O HOH B 60 -3.239 0.865 -11.855 1.00 33.66 O HETATM 1277 O HOH B 61 -6.536 -6.404 -4.484 1.00 34.38 O HETATM 1278 O HOH B 62 2.235 19.360 -6.322 1.00 33.02 O HETATM 1279 O HOH B 63 11.440 16.321 -9.144 1.00 44.35 O HETATM 1280 O HOH B 64 4.921 21.829 -4.521 1.00 39.65 O HETATM 1281 O HOH B 250 -6.268 6.695 -15.650 1.00 25.37 O HETATM 1282 O HOH C 38 2.083 20.301 -8.490 1.00 25.08 O HETATM 1283 O HOH C 39 1.704 20.812 -16.306 1.00 15.04 O HETATM 1284 O HOH C 40 -2.512 28.922 -13.632 1.00 20.64 O HETATM 1285 O HOH C 41 -8.344 -2.449 -4.130 1.00 20.04 O HETATM 1286 O HOH C 42 9.474 27.468 -4.678 1.00 26.48 O HETATM 1287 O HOH C 43 8.336 22.285 -15.503 1.00 22.57 O HETATM 1288 O HOH C 44 1.854 5.863 -9.344 1.00 26.46 O HETATM 1289 O HOH C 45 9.096 18.481 -14.354 1.00 28.95 O HETATM 1290 O HOH C 46 0.047 8.890 -1.501 1.00 28.20 O HETATM 1291 O HOH C 47 6.848 24.986 -19.741 1.00 33.48 O HETATM 1292 O HOH C 48 -13.192 -3.600 -13.656 1.00 32.03 O HETATM 1293 O HOH C 49 6.892 27.348 -14.282 1.00 29.05 O HETATM 1294 O HOH C 50 0.153 27.140 -5.605 1.00 28.46 O HETATM 1295 O HOH C 51 10.984 29.318 -3.107 1.00 27.11 O HETATM 1296 O HOH C 52 0.294 3.650 -9.042 1.00 29.95 O HETATM 1297 O HOH C 53 -2.225 1.576 -3.828 1.00 33.64 O HETATM 1298 O HOH C 54 -2.110 1.577 -6.779 1.00 41.74 O HETATM 1299 O HOH C 55 -13.229 1.298 -11.152 1.00 26.50 O HETATM 1300 O HOH C 56 -1.533 31.554 -13.460 1.00 41.73 O HETATM 1301 O HOH C 57 5.288 30.601 -13.489 1.00 24.38 O HETATM 1302 O HOH C 58 10.632 16.160 -13.795 1.00 38.41 O HETATM 1303 O HOH C 59 -0.239 31.424 -15.607 1.00 36.46 O HETATM 1304 O HOH C 60 3.883 14.885 -21.143 1.00 36.25 O HETATM 1305 O HOH C 61 11.984 13.486 -15.268 1.00 47.99 O HETATM 1306 O HOH C 62 4.614 10.352 -15.003 1.00 38.76 O HETATM 1307 O HOH C 63 -4.154 -0.406 -5.588 1.00 29.20 O HETATM 1308 O HOH C 64 -7.937 -0.410 0.038 0.50 16.32 O HETATM 1309 O HOH C 65 -3.856 8.046 -1.405 1.00 44.99 O HETATM 1310 O HOH C 66 4.790 5.522 -10.516 1.00 37.87 O HETATM 1311 O HOH C 67 -18.069 4.214 -10.109 1.00 53.31 O HETATM 1312 O HOH C 68 0.992 18.205 -10.339 1.00 19.80 O HETATM 1313 O HOH C 69 6.524 25.498 -5.049 1.00 28.22 O HETATM 1314 O HOH C 70 -13.256 3.091 1.756 1.00 21.34 O HETATM 1315 O HOH C 71 -12.617 5.593 3.302 1.00 24.26 O HETATM 1316 O HOH C 72 -11.299 1.641 3.339 1.00 27.76 O HETATM 1317 O HOH C 73 -10.697 4.307 4.775 1.00 22.19 O HETATM 1318 O HOH C 74 -13.437 3.196 4.699 1.00 16.01 O HETATM 1319 O HOH C 75 -15.624 1.837 4.184 1.00 24.41 O HETATM 1320 O HOH C 251 3.546 22.921 -7.058 1.00 13.74 O HETATM 1321 O HOH A 184 -14.238 12.597 -7.580 1.00 34.32 O HETATM 1322 O HOH A 185 1.614 17.961 -16.758 1.00 16.50 O HETATM 1323 O HOH A 186 -9.607 28.290 -22.619 1.00 20.45 O HETATM 1324 O HOH A 187 -2.619 31.249 -36.500 1.00 33.24 O HETATM 1325 O HOH A 188 -9.900 20.288 -5.847 1.00 21.99 O HETATM 1326 O HOH A 189 7.727 22.493 -23.911 1.00 26.23 O HETATM 1327 O HOH A 190 -5.092 27.467 -29.460 1.00 25.58 O HETATM 1328 O HOH A 191 8.328 20.998 -28.576 1.00 21.45 O HETATM 1329 O HOH A 192 -4.651 15.957 -7.027 1.00 20.40 O HETATM 1330 O HOH A 193 -4.911 18.303 -30.462 1.00 19.75 O HETATM 1331 O HOH A 194 -17.252 30.653 -14.741 1.00 27.45 O HETATM 1332 O HOH A 195 -2.630 7.830 -23.191 1.00 30.91 O HETATM 1333 O HOH A 196 -6.705 27.300 -3.936 1.00 44.90 O HETATM 1334 O HOH A 197 1.624 23.559 -32.060 1.00 24.42 O HETATM 1335 O HOH A 198 4.754 15.227 -24.412 1.00 32.35 O HETATM 1336 O HOH A 199 -10.787 8.534 -19.399 1.00 25.83 O HETATM 1337 O HOH A 200 1.048 24.112 -6.424 1.00 23.64 O HETATM 1338 O HOH A 201 -1.756 30.866 -21.726 1.00 26.13 O HETATM 1339 O HOH A 202 -8.268 21.649 -3.383 1.00 32.43 O HETATM 1340 O HOH A 203 -14.719 19.889 -27.231 1.00 30.82 O HETATM 1341 O HOH A 204 -20.960 17.577 -16.097 1.00 34.65 O HETATM 1342 O HOH A 205 -8.886 29.219 -14.557 1.00 32.77 O HETATM 1343 O HOH A 206 -16.397 23.747 -25.379 1.00 32.00 O HETATM 1344 O HOH A 207 0.559 30.073 -20.320 1.00 27.68 O HETATM 1345 O HOH A 208 8.692 21.638 -20.250 1.00 35.17 O HETATM 1346 O HOH A 209 -10.805 24.966 -6.078 1.00 31.80 O HETATM 1347 O HOH A 210 -21.578 25.094 -19.387 1.00 37.43 O HETATM 1348 O HOH A 211 -11.015 23.979 -35.639 1.00 37.27 O HETATM 1349 O HOH A 212 -10.885 31.200 -15.456 1.00 33.70 O HETATM 1350 O HOH A 213 -19.187 30.608 -17.882 1.00 40.33 O HETATM 1351 O HOH A 214 -7.988 29.405 -12.023 1.00 29.99 O HETATM 1352 O HOH A 215 0.397 31.203 -25.329 1.00 33.68 O HETATM 1353 O HOH A 216 -11.854 23.485 -32.970 1.00 33.05 O HETATM 1354 O HOH A 217 -14.605 31.194 -10.474 1.00 27.53 O HETATM 1355 O HOH A 218 -15.266 31.948 -16.887 1.00 33.27 O HETATM 1356 O HOH A 219 -3.046 19.150 -4.044 1.00 34.30 O HETATM 1357 O HOH A 220 -9.861 10.652 -22.859 1.00 35.32 O HETATM 1358 O HOH A 221 -5.513 32.582 -5.261 1.00 50.08 O HETATM 1359 O HOH A 222 -12.806 30.754 -16.990 1.00 36.54 O HETATM 1360 O HOH A 223 -21.550 7.834 -7.363 1.00 46.72 O HETATM 1361 O HOH A 224 -1.602 30.991 -30.929 1.00 38.96 O HETATM 1362 O HOH A 225 7.945 19.990 -25.769 1.00 34.48 O HETATM 1363 O HOH A 226 7.220 29.645 -23.848 1.00 33.20 O HETATM 1364 O HOH A 227 -16.545 26.485 -23.329 1.00 35.59 O HETATM 1365 O HOH A 228 -20.102 25.926 -9.293 1.00 29.06 O HETATM 1366 O HOH A 229 -6.408 29.805 -15.890 1.00 22.93 O HETATM 1367 O HOH A 230 2.910 11.888 -25.050 1.00 51.64 O HETATM 1368 O HOH A 231 -3.168 32.012 -26.854 1.00 34.57 O HETATM 1369 O HOH A 232 -0.621 6.572 -22.104 1.00 42.32 O HETATM 1370 O HOH A 233 -17.025 20.624 -25.562 1.00 50.59 O HETATM 1371 O HOH A 234 -12.301 18.260 -8.164 1.00 34.83 O HETATM 1372 O HOH A 235 5.341 12.357 -18.619 1.00 38.08 O HETATM 1373 O HOH A 236 7.856 18.642 -29.496 1.00 38.49 O HETATM 1374 O HOH A 237 -1.399 31.853 -3.675 1.00 44.63 O HETATM 1375 O HOH A 238 -6.784 8.240 -20.342 1.00 52.17 O HETATM 1376 O HOH A 239 -11.837 27.646 -5.391 1.00 39.98 O HETATM 1377 O HOH A 240 -5.718 9.002 -14.550 1.00 27.20 O HETATM 1378 O HOH A 241 -4.764 8.605 -30.519 1.00 49.24 O HETATM 1379 O HOH A 242 -15.131 7.912 -17.479 1.00 48.08 O HETATM 1380 O HOH A 243 -14.179 22.540 -32.163 1.00 43.88 O HETATM 1381 O HOH A 244 -6.971 27.812 -31.173 1.00 31.03 O HETATM 1382 O HOH A 245 -15.574 14.625 -7.060 1.00 38.35 O HETATM 1383 O HOH A 246 -11.917 26.882 -26.219 1.00 44.97 O HETATM 1384 O HOH A 247 7.349 36.471 -27.706 1.00 45.79 O HETATM 1385 O HOH A 248 -13.756 13.705 -24.195 1.00 41.02 O HETATM 1386 O HOH A 249 8.831 35.660 -29.640 1.00 52.05 O HETATM 1387 O HOH A 250 7.026 26.137 -23.904 1.00 28.02 O HETATM 1388 O HOH A 251 -0.156 28.077 -18.668 1.00 12.32 O HETATM 1389 O HOH A 252 1.158 24.936 -20.483 1.00 11.28 O HETATM 1390 O HOH A 253 -0.509 25.206 -12.665 1.00 14.60 O HETATM 1391 O HOH A 254 -2.987 28.370 -10.905 1.00 23.45 O HETATM 1392 O HOH A 255 -8.503 10.745 -16.189 1.00 16.37 O CONECT 467 1228 CONECT 1032 1229 CONECT 1054 1229 CONECT 1079 1229 CONECT 1228 467 1314 1315 1316 CONECT 1228 1317 1318 CONECT 1229 1032 1054 1079 1304 CONECT 1304 1229 CONECT 1314 1228 CONECT 1315 1228 CONECT 1316 1228 CONECT 1317 1228 CONECT 1318 1228 MASTER 399 0 2 4 2 0 4 6 1389 3 13 11 END
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Entry Information
PDB ID
3l2c
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA Binding Domain of FOXO4
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.87(Å)
Affinity (Kd/Ki/IC50)
Kd=360nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Acta Crystallogr.,Sect.D Vol. 66: pp. 1351-1357
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):
P98177
Entrez Gene ID
NCBI Entrez Gene ID:
4303
ASD
Information of known allosteric effects of PDB entries
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