Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 08-SEP-09 3JR9 TITLE CRYSTAL STRUCTURE OF FIS BOUND TO 27 BP OPTIMAL BINDING SEQUENCE F2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA-BINDING PROTEIN FIS; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (27-MER); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: DNA (27-MER); COMPND 11 CHAIN: D; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K-12; SOURCE 5 GENE: FIS, B3261, JW3229; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11A; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 MOL_ID: 3; SOURCE 14 SYNTHETIC: YES KEYWDS HTH DOMAIN, PROTEIN-DNA COMPLEX, MINOR GROOVE COMPRESSION, DNA KEYWDS 2 BENDING, INDIRECT RECOGNITION, ACTIVATOR, DNA-BINDING, KEYWDS 3 TRANSCRIPTION, TRANSCRIPTION REGULATION, DNA BINDING PROTEIN-DNA KEYWDS 4 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.STELLA,D.CASCIO,R.C.JOHNSON REVDAT 3 01-NOV-17 3JR9 1 REMARK REVDAT 2 13-JUL-11 3JR9 1 VERSN REVDAT 1 28-APR-10 3JR9 0 JRNL AUTH S.STELLA,D.CASCIO,R.C.JOHNSON JRNL TITL THE SHAPE OF THE DNA MINOR GROOVE DIRECTS BINDING BY THE JRNL TITL 2 DNA-BENDING PROTEIN FIS. JRNL REF GENES DEV. V. 24 814 2010 JRNL REFN ISSN 0890-9369 JRNL PMID 20395367 JRNL DOI 10.1101/GAD.1900610 REMARK 2 REMARK 2 RESOLUTION. 2.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.41 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 89.4 REMARK 3 NUMBER OF REFLECTIONS : 12621 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) : 0.224 REMARK 3 R VALUE (WORKING SET) : 0.222 REMARK 3 FREE R VALUE : 0.263 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 629 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.98 REMARK 3 REFLECTION IN BIN (WORKING SET) : 318 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 33.33 REMARK 3 BIN R VALUE (WORKING SET) : 0.3740 REMARK 3 BIN FREE R VALUE SET COUNT : 21 REMARK 3 BIN FREE R VALUE : 0.4970 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1502 REMARK 3 NUCLEIC ACID ATOMS : 1101 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 22 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 40.85 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.929 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.378 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.271 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.931 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.905 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2771 ; 0.009 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 1531 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3974 ; 1.503 ; 2.464 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3809 ; 1.044 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 193 ; 4.666 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 78 ;38.526 ;25.769 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 304 ;16.598 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;14.990 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2249 ; 0.004 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 278 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 580 ; 0.192 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1682 ; 0.206 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1224 ; 0.201 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1135 ; 0.085 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 59 ; 0.139 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 23 ; 0.218 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 48 ; 0.211 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 9 ; 0.147 ; 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): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 4 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 8 A 98 REMARK 3 ORIGIN FOR THE GROUP (A): 12.7418 10.2872 8.9660 REMARK 3 T TENSOR REMARK 3 T11: 0.0870 T22: 0.0783 REMARK 3 T33: -0.0006 T12: 0.0493 REMARK 3 T13: -0.0097 T23: -0.0214 REMARK 3 L TENSOR REMARK 3 L11: 0.4067 L22: 1.2594 REMARK 3 L33: 1.3875 L12: -0.1764 REMARK 3 L13: 0.3032 L23: 0.6739 REMARK 3 S TENSOR REMARK 3 S11: -0.0194 S12: -0.0094 S13: 0.1323 REMARK 3 S21: 0.1891 S22: 0.1456 S23: -0.0407 REMARK 3 S31: 0.2373 S32: 0.1070 S33: -0.1263 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 1 B 98 REMARK 3 ORIGIN FOR THE GROUP (A): 9.7235 10.6798 2.2911 REMARK 3 T TENSOR REMARK 3 T11: 0.0462 T22: 0.0577 REMARK 3 T33: 0.0137 T12: -0.0092 REMARK 3 T13: 0.0294 T23: -0.0270 REMARK 3 L TENSOR REMARK 3 L11: 0.7389 L22: 1.2238 REMARK 3 L33: 0.8074 L12: -0.1237 REMARK 3 L13: -0.2402 L23: -0.3507 REMARK 3 S TENSOR REMARK 3 S11: -0.0418 S12: -0.0864 S13: 0.0862 REMARK 3 S21: 0.0427 S22: 0.1242 S23: 0.0870 REMARK 3 S31: 0.1218 S32: 0.0956 S33: -0.0824 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 1 C 27 REMARK 3 ORIGIN FOR THE GROUP (A): 11.4267 -10.4430 5.4747 REMARK 3 T TENSOR REMARK 3 T11: 0.2521 T22: -0.0888 REMARK 3 T33: -0.0850 T12: 0.0722 REMARK 3 T13: -0.1415 T23: 0.0053 REMARK 3 L TENSOR REMARK 3 L11: 0.7449 L22: 0.4823 REMARK 3 L33: 4.8065 L12: 0.0159 REMARK 3 L13: 1.4052 L23: 0.0381 REMARK 3 S TENSOR REMARK 3 S11: 0.4073 S12: 0.1039 S13: -0.4333 REMARK 3 S21: 0.0127 S22: 0.3323 S23: 0.0425 REMARK 3 S31: 0.8205 S32: 0.2790 S33: -0.7396 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : D 1 D 27 REMARK 3 ORIGIN FOR THE GROUP (A): 10.4746 -10.4420 6.1111 REMARK 3 T TENSOR REMARK 3 T11: 0.2269 T22: -0.1680 REMARK 3 T33: -0.0859 T12: -0.0128 REMARK 3 T13: -0.1558 T23: -0.0420 REMARK 3 L TENSOR REMARK 3 L11: 0.8332 L22: 0.3616 REMARK 3 L33: 4.8382 L12: 0.0647 REMARK 3 L13: 1.2258 L23: 0.3149 REMARK 3 S TENSOR REMARK 3 S11: 0.3269 S12: -0.0087 S13: -0.4170 REMARK 3 S21: 0.0837 S22: 0.3066 S23: 0.0531 REMARK 3 S31: 0.6336 S32: -0.0310 S33: -0.6335 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 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 3JR9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-09. REMARK 100 THE DEPOSITION ID IS D_1000055058. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-FEB-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 24-ID-C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14353 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.900 REMARK 200 RESOLUTION RANGE LOW (A) : 90.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : 0.16500 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 6.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.00 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.20 REMARK 200 R MERGE FOR SHELL (I) : 0.66800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 1ETO REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 68.33 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.88 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM CITRATE, 0.1 M TRIS-HCL REMARK 280 PH 8.5, 36% PEG 400, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 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 21.48000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 77.08500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 45.84500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 77.08500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.48000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 45.84500 REMARK 290 SMTRY3 4 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 8880 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18910 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -64.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D 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 MET A 1 REMARK 465 PHE A 2 REMARK 465 GLU A 3 REMARK 465 GLN A 4 REMARK 465 ARG A 5 REMARK 465 VAL A 6 REMARK 465 ASN A 7 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 MET B 1 CG SD CE 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 C 8 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT C 9 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DT C 10 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DT C 17 C5 - C4 - O4 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA C 19 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA C 19 C3' - O3' - P ANGL. DEV. = 9.0 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DA C 22 C3' - O3' - P ANGL. DEV. = 8.1 DEGREES REMARK 500 DT C 26 O4' - C1' - N1 ANGL. DEV. = -4.6 DEGREES REMARK 500 DA D 1 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA D 1 C3' - O3' - P ANGL. DEV. = 9.7 DEGREES REMARK 500 DC D 8 O4' - C4' - C3' ANGL. DEV. = -3.3 DEGREES REMARK 500 DC D 8 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT D 9 O4' - C4' - C3' ANGL. DEV. = -2.4 DEGREES REMARK 500 DA D 11 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA D 11 C3' - O3' - P ANGL. DEV. = 7.5 DEGREES REMARK 500 DA D 12 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA D 12 C3' - O3' - P ANGL. DEV. = 7.7 DEGREES REMARK 500 DA D 18 C3' - O3' - P ANGL. DEV. = 8.0 DEGREES REMARK 500 DA D 19 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA D 19 C3' - O3' - P ANGL. DEV. = 7.6 DEGREES REMARK 500 DA D 20 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC D 21 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT D 25 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT D 25 C5 - C4 - O4 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT D 25 C3' - O3' - P ANGL. DEV. = 7.5 DEGREES REMARK 500 DT D 26 O4' - C1' - N1 ANGL. DEV. = -6.9 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 ASN B 48 29.42 -155.22 REMARK 500 ASP B 49 22.88 -154.45 REMARK 500 ASP B 49 15.92 -151.37 REMARK 500 MET B 97 53.89 -109.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3IV5 RELATED DB: PDB REMARK 900 RELATED ID: 3JRA RELATED DB: PDB REMARK 900 RELATED ID: 3JRB RELATED DB: PDB REMARK 900 RELATED ID: 3JRC RELATED DB: PDB REMARK 900 RELATED ID: 3JRD RELATED DB: PDB REMARK 900 RELATED ID: 3JRE RELATED DB: PDB REMARK 900 RELATED ID: 3JRF RELATED DB: PDB REMARK 900 RELATED ID: 3JRG RELATED DB: PDB REMARK 900 RELATED ID: 3JRH RELATED DB: PDB REMARK 900 RELATED ID: 3JRI RELATED DB: PDB DBREF 3JR9 A 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JR9 B 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JR9 C 1 27 PDB 3JR9 3JR9 1 27 DBREF 3JR9 D 1 27 PDB 3JR9 3JR9 1 27 SEQRES 1 A 98 MET PHE GLU GLN ARG VAL ASN SER ASP VAL LEU THR VAL SEQRES 2 A 98 SER THR VAL ASN SER GLN ASP GLN VAL THR GLN LYS PRO SEQRES 3 A 98 LEU ARG ASP SER VAL LYS GLN ALA LEU LYS ASN TYR PHE SEQRES 4 A 98 ALA GLN LEU ASN GLY GLN ASP VAL ASN ASP LEU TYR GLU SEQRES 5 A 98 LEU VAL LEU ALA GLU VAL GLU GLN PRO LEU LEU ASP MET SEQRES 6 A 98 VAL MET GLN TYR THR ARG GLY ASN GLN THR ARG ALA ALA SEQRES 7 A 98 LEU MET MET GLY ILE ASN ARG GLY THR LEU ARG LYS LYS SEQRES 8 A 98 LEU LYS LYS TYR GLY MET ASN SEQRES 1 B 98 MET PHE GLU GLN ARG VAL ASN SER ASP VAL LEU THR VAL SEQRES 2 B 98 SER THR VAL ASN SER GLN ASP GLN VAL THR GLN LYS PRO SEQRES 3 B 98 LEU ARG ASP SER VAL LYS GLN ALA LEU LYS ASN TYR PHE SEQRES 4 B 98 ALA GLN LEU ASN GLY GLN ASP VAL ASN ASP LEU TYR GLU SEQRES 5 B 98 LEU VAL LEU ALA GLU VAL GLU GLN PRO LEU LEU ASP MET SEQRES 6 B 98 VAL MET GLN TYR THR ARG GLY ASN GLN THR ARG ALA ALA SEQRES 7 B 98 LEU MET MET GLY ILE ASN ARG GLY THR LEU ARG LYS LYS SEQRES 8 B 98 LEU LYS LYS TYR GLY MET ASN SEQRES 1 C 27 DA DA DA DT DT DT DG DT DT DT DA DA DA SEQRES 2 C 27 DT DT DT DT DG DA DG DC DA DA DA DT DT SEQRES 3 C 27 DT SEQRES 1 D 27 DA DA DA DT DT DT DG DC DT DC DA DA DA SEQRES 2 D 27 DA DT DT DT DA DA DA DC DA DA DA DT DT SEQRES 3 D 27 DT FORMUL 5 HOH *22(H2 O) HELIX 1 1 LEU A 27 LEU A 42 1 16 HELIX 2 2 ASP A 49 THR A 70 1 22 HELIX 3 3 ASN A 73 GLY A 82 1 10 HELIX 4 4 ASN A 84 TYR A 95 1 12 HELIX 5 5 VAL B 6 VAL B 10 5 5 HELIX 6 6 LEU B 27 GLN B 41 1 15 HELIX 7 7 ASP B 49 THR B 70 1 22 HELIX 8 8 ASN B 73 GLY B 82 1 10 HELIX 9 9 ASN B 84 TYR B 95 1 12 SHEET 1 A 2 THR A 12 VAL A 16 0 SHEET 2 A 2 VAL A 22 PRO A 26 -1 O THR A 23 N THR A 15 SHEET 1 B 2 THR B 12 VAL B 16 0 SHEET 2 B 2 VAL B 22 PRO B 26 -1 O THR B 23 N THR B 15 CISPEP 1 ASN B 43 GLY B 44 0 0.14 CISPEP 2 ASN B 43 GLY B 44 0 0.70 CRYST1 42.960 91.690 154.170 90.00 90.00 90.00 P 21 21 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 0.023277 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010906 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006486 0.00000 ATOM 1 N SER A 8 -5.128 16.993 14.777 1.00 62.64 N ATOM 2 CA SER A 8 -5.869 16.114 13.823 1.00 62.07 C ATOM 3 C SER A 8 -4.934 15.427 12.806 1.00 61.59 C ATOM 4 O SER A 8 -5.364 14.569 12.023 1.00 60.62 O ATOM 5 CB SER A 8 -6.929 16.939 13.096 1.00 63.47 C ATOM 6 OG SER A 8 -7.920 16.100 12.532 1.00 65.59 O ATOM 7 N ASP A 9 -3.658 15.818 12.836 1.00 60.27 N ATOM 8 CA ASP A 9 -2.620 15.275 11.957 1.00 57.16 C ATOM 9 C ASP A 9 -1.263 15.405 12.672 1.00 53.78 C ATOM 10 O ASP A 9 -0.673 16.486 12.725 1.00 53.83 O ATOM 11 CB ASP A 9 -2.622 16.034 10.621 1.00 59.28 C ATOM 12 CG ASP A 9 -1.808 15.343 9.554 1.00 61.14 C ATOM 13 OD1 ASP A 9 -1.734 14.094 9.565 1.00 63.99 O ATOM 14 OD2 ASP A 9 -1.242 16.047 8.696 1.00 63.19 O ATOM 15 N VAL A 10 -0.771 14.293 13.208 1.00 49.23 N ATOM 16 CA VAL A 10 0.260 14.323 14.258 1.00 45.95 C ATOM 17 C VAL A 10 1.695 14.735 13.862 1.00 41.61 C ATOM 18 O VAL A 10 2.391 15.330 14.677 1.00 40.53 O ATOM 19 CB VAL A 10 0.307 12.969 15.019 1.00 47.42 C ATOM 20 CG1 VAL A 10 -1.029 12.713 15.753 1.00 47.98 C ATOM 21 CG2 VAL A 10 0.631 11.813 14.065 1.00 49.29 C ATOM 22 N LEU A 11 2.144 14.435 12.642 1.00 37.42 N ATOM 23 CA LEU A 11 3.523 14.760 12.233 1.00 34.02 C ATOM 24 C LEU A 11 3.567 15.972 11.305 1.00 31.16 C ATOM 25 O LEU A 11 3.256 15.870 10.109 1.00 29.53 O ATOM 26 CB LEU A 11 4.181 13.557 11.557 1.00 33.00 C ATOM 27 CG LEU A 11 4.396 12.287 12.398 1.00 31.58 C ATOM 28 CD1 LEU A 11 4.824 11.118 11.521 1.00 31.10 C ATOM 29 CD2 LEU A 11 5.413 12.514 13.496 1.00 30.21 C ATOM 30 N THR A 12 3.952 17.120 11.861 1.00 29.76 N ATOM 31 CA THR A 12 3.918 18.390 11.125 1.00 28.82 C ATOM 32 C THR A 12 5.095 19.319 11.435 1.00 26.96 C ATOM 33 O THR A 12 5.625 19.354 12.547 1.00 25.63 O ATOM 34 CB THR A 12 2.634 19.193 11.427 1.00 28.96 C ATOM 35 OG1 THR A 12 2.648 19.609 12.798 1.00 30.92 O ATOM 36 CG2 THR A 12 1.372 18.364 11.156 1.00 28.82 C ATOM 37 N VAL A 13 5.451 20.104 10.429 1.00 26.17 N ATOM 38 CA VAL A 13 6.575 21.029 10.482 1.00 24.42 C ATOM 39 C VAL A 13 6.067 22.475 10.452 1.00 24.37 C ATOM 40 O VAL A 13 4.943 22.738 10.043 1.00 26.39 O ATOM 41 CB VAL A 13 7.511 20.796 9.283 1.00 20.60 C ATOM 42 CG1 VAL A 13 8.003 19.360 9.281 1.00 18.58 C ATOM 43 CG2 VAL A 13 6.792 21.127 7.980 1.00 18.18 C ATOM 44 N SER A 14 6.909 23.412 10.864 1.00 22.42 N ATOM 45 CA SER A 14 6.511 24.805 10.926 1.00 21.75 C ATOM 46 C SER A 14 6.928 25.550 9.666 1.00 21.20 C ATOM 47 O SER A 14 8.088 25.454 9.236 1.00 23.47 O ATOM 48 CB SER A 14 7.141 25.463 12.156 1.00 20.76 C ATOM 49 OG SER A 14 6.746 24.770 13.323 1.00 19.05 O ATOM 50 N THR A 15 5.995 26.302 9.087 1.00 18.06 N ATOM 51 CA THR A 15 6.313 27.146 7.949 1.00 20.17 C ATOM 52 C THR A 15 6.113 28.607 8.323 1.00 18.75 C ATOM 53 O THR A 15 5.403 28.891 9.272 1.00 16.17 O ATOM 54 CB THR A 15 5.409 26.836 6.754 1.00 21.37 C ATOM 55 OG1 THR A 15 4.070 27.206 7.083 1.00 26.55 O ATOM 56 CG2 THR A 15 5.430 25.375 6.398 1.00 20.61 C ATOM 57 N VAL A 16 6.758 29.520 7.589 1.00 20.56 N ATOM 58 CA VAL A 16 6.448 30.960 7.680 1.00 23.18 C ATOM 59 C VAL A 16 6.053 31.484 6.332 1.00 22.58 C ATOM 60 O VAL A 16 6.701 31.157 5.342 1.00 20.06 O ATOM 61 CB VAL A 16 7.619 31.885 8.177 1.00 23.38 C ATOM 62 CG1 VAL A 16 7.482 32.186 9.674 1.00 23.33 C ATOM 63 CG2 VAL A 16 8.985 31.327 7.806 1.00 22.12 C ATOM 64 N ASN A 17 5.002 32.309 6.318 1.00 25.00 N ATOM 65 CA ASN A 17 4.553 33.007 5.114 1.00 28.06 C ATOM 66 C ASN A 17 5.001 34.465 5.102 1.00 30.06 C ATOM 67 O ASN A 17 5.521 34.983 6.101 1.00 29.08 O ATOM 68 CB ASN A 17 3.028 32.917 4.956 1.00 27.96 C ATOM 69 CG ASN A 17 2.268 33.590 6.091 1.00 27.62 C ATOM 70 OD1 ASN A 17 2.774 34.494 6.764 1.00 23.56 O ATOM 71 ND2 ASN A 17 1.030 33.149 6.298 1.00 28.34 N ATOM 72 N SER A 18 4.780 35.113 3.961 1.00 32.90 N ATOM 73 CA SER A 18 5.248 36.472 3.715 1.00 34.27 C ATOM 74 C SER A 18 4.850 37.457 4.804 1.00 36.68 C ATOM 75 O SER A 18 5.559 38.430 5.019 1.00 37.81 O ATOM 76 CB SER A 18 4.722 36.963 2.375 1.00 34.36 C ATOM 77 OG SER A 18 3.330 36.732 2.291 1.00 36.22 O ATOM 78 N GLN A 19 3.733 37.203 5.488 1.00 40.77 N ATOM 79 CA GLN A 19 3.264 38.068 6.578 1.00 40.84 C ATOM 80 C GLN A 19 3.716 37.573 7.961 1.00 38.93 C ATOM 81 O GLN A 19 3.047 37.829 8.960 1.00 38.69 O ATOM 82 CB GLN A 19 1.731 38.200 6.526 1.00 44.44 C ATOM 83 CG GLN A 19 1.152 39.401 7.315 1.00 46.99 C ATOM 84 CD GLN A 19 -0.336 39.636 7.034 1.00 49.08 C ATOM 85 OE1 GLN A 19 -1.135 38.687 6.958 1.00 51.71 O ATOM 86 NE2 GLN A 19 -0.710 40.905 6.876 1.00 51.04 N ATOM 87 N ASP A 20 4.854 36.880 8.019 1.00 37.80 N ATOM 88 CA ASP A 20 5.457 36.446 9.291 1.00 37.46 C ATOM 89 C ASP A 20 4.494 35.634 10.173 1.00 35.38 C ATOM 90 O ASP A 20 4.572 35.669 11.394 1.00 35.76 O ATOM 91 CB ASP A 20 6.027 37.655 10.064 1.00 40.40 C ATOM 92 CG ASP A 20 7.404 38.108 9.539 1.00 44.32 C ATOM 93 OD1 ASP A 20 8.401 37.375 9.761 1.00 46.39 O ATOM 94 OD2 ASP A 20 7.497 39.208 8.928 1.00 46.13 O ATOM 95 N GLN A 21 3.593 34.891 9.547 1.00 32.81 N ATOM 96 CA GLN A 21 2.703 34.012 10.273 1.00 31.26 C ATOM 97 C GLN A 21 3.270 32.586 10.230 1.00 29.51 C ATOM 98 O GLN A 21 3.545 32.044 9.163 1.00 28.07 O ATOM 99 CB GLN A 21 1.306 34.057 9.659 1.00 31.46 C ATOM 100 CG GLN A 21 0.673 35.453 9.616 1.00 31.35 C ATOM 101 CD GLN A 21 -0.656 35.486 8.864 1.00 31.59 C ATOM 102 OE1 GLN A 21 -1.556 36.260 9.201 1.00 33.29 O ATOM 103 NE2 GLN A 21 -0.781 34.652 7.841 1.00 30.40 N ATOM 104 N VAL A 22 3.473 31.998 11.403 1.00 29.65 N ATOM 105 CA VAL A 22 3.887 30.601 11.512 1.00 27.87 C ATOM 106 C VAL A 22 2.629 29.746 11.450 1.00 27.22 C ATOM 107 O VAL A 22 1.550 30.164 11.861 1.00 28.18 O ATOM 108 CB VAL A 22 4.671 30.321 12.820 1.00 26.73 C ATOM 109 CG1 VAL A 22 5.008 28.840 12.955 1.00 24.70 C ATOM 110 CG2 VAL A 22 5.933 31.156 12.859 1.00 26.13 C ATOM 111 N THR A 23 2.773 28.545 10.919 1.00 27.13 N ATOM 112 CA THR A 23 1.629 27.751 10.527 1.00 25.88 C ATOM 113 C THR A 23 2.123 26.344 10.223 1.00 24.73 C ATOM 114 O THR A 23 3.193 26.192 9.643 1.00 28.16 O ATOM 115 CB THR A 23 0.928 28.400 9.297 1.00 26.14 C ATOM 116 OG1 THR A 23 0.130 27.425 8.632 1.00 28.27 O ATOM 117 CG2 THR A 23 1.949 29.011 8.277 1.00 25.51 C ATOM 118 N GLN A 24 1.378 25.320 10.639 1.00 23.63 N ATOM 119 CA GLN A 24 1.801 23.928 10.415 1.00 24.59 C ATOM 120 C GLN A 24 1.550 23.422 8.994 1.00 25.39 C ATOM 121 O GLN A 24 0.631 23.879 8.310 1.00 29.62 O ATOM 122 CB GLN A 24 1.110 22.974 11.396 1.00 24.30 C ATOM 123 CG GLN A 24 1.472 23.192 12.866 1.00 23.98 C ATOM 124 CD GLN A 24 2.966 23.291 13.090 1.00 23.80 C ATOM 125 OE1 GLN A 24 3.494 24.378 13.367 1.00 22.08 O ATOM 126 NE2 GLN A 24 3.668 22.164 12.931 1.00 24.37 N ATOM 127 N LYS A 25 2.380 22.479 8.555 1.00 24.44 N ATOM 128 CA LYS A 25 2.084 21.689 7.360 1.00 24.05 C ATOM 129 C LYS A 25 2.561 20.259 7.575 1.00 21.79 C ATOM 130 O LYS A 25 3.587 20.043 8.209 1.00 19.75 O ATOM 131 CB LYS A 25 2.715 22.294 6.098 1.00 24.26 C ATOM 132 CG LYS A 25 3.997 21.644 5.668 1.00 25.16 C ATOM 133 CD LYS A 25 4.677 22.361 4.525 1.00 24.85 C ATOM 134 CE LYS A 25 6.148 21.967 4.506 1.00 25.77 C ATOM 135 NZ LYS A 25 6.896 22.544 3.365 1.00 27.64 N ATOM 136 N PRO A 26 1.823 19.278 7.037 1.00 22.67 N ATOM 137 CA PRO A 26 2.213 17.891 7.217 1.00 23.39 C ATOM 138 C PRO A 26 3.632 17.642 6.737 1.00 23.65 C ATOM 139 O PRO A 26 4.062 18.200 5.730 1.00 22.60 O ATOM 140 CB PRO A 26 1.226 17.130 6.332 1.00 23.32 C ATOM 141 CG PRO A 26 0.075 18.001 6.214 1.00 24.00 C ATOM 142 CD PRO A 26 0.598 19.391 6.232 1.00 24.00 C ATOM 143 N LEU A 27 4.351 16.798 7.464 1.00 23.76 N ATOM 144 CA LEU A 27 5.700 16.416 7.062 1.00 23.10 C ATOM 145 C LEU A 27 5.678 15.830 5.664 1.00 23.37 C ATOM 146 O LEU A 27 6.645 15.977 4.919 1.00 25.87 O ATOM 147 CB LEU A 27 6.280 15.383 8.040 1.00 22.80 C ATOM 148 CG LEU A 27 7.609 14.729 7.676 1.00 20.50 C ATOM 149 CD1 LEU A 27 8.679 15.784 7.542 1.00 20.50 C ATOM 150 CD2 LEU A 27 7.956 13.727 8.725 1.00 19.20 C ATOM 151 N ARG A 28 4.580 15.162 5.317 1.00 20.84 N ATOM 152 CA ARG A 28 4.484 14.503 4.047 1.00 23.01 C ATOM 153 C ARG A 28 4.546 15.484 2.876 1.00 23.05 C ATOM 154 O ARG A 28 4.942 15.099 1.785 1.00 22.51 O ATOM 155 CB ARG A 28 3.218 13.671 4.004 1.00 24.81 C ATOM 156 CG ARG A 28 1.952 14.427 3.687 1.00 27.68 C ATOM 157 CD ARG A 28 0.759 13.468 3.690 1.00 29.79 C ATOM 158 NE ARG A 28 0.191 13.390 5.029 1.00 30.93 N ATOM 159 CZ ARG A 28 -0.877 14.072 5.442 1.00 33.57 C ATOM 160 NH1 ARG A 28 -1.557 14.862 4.617 1.00 34.86 N ATOM 161 NH2 ARG A 28 -1.288 13.954 6.697 1.00 34.85 N ATOM 162 N ASP A 29 4.161 16.745 3.108 1.00 25.52 N ATOM 163 CA ASP A 29 4.313 17.826 2.108 1.00 24.54 C ATOM 164 C ASP A 29 5.785 18.179 1.887 1.00 23.25 C ATOM 165 O ASP A 29 6.183 18.498 0.759 1.00 25.47 O ATOM 166 CB ASP A 29 3.556 19.100 2.521 1.00 28.12 C ATOM 167 CG ASP A 29 2.029 18.999 2.324 1.00 31.77 C ATOM 168 OD1 ASP A 29 1.343 20.052 2.396 1.00 34.18 O ATOM 169 OD2 ASP A 29 1.497 17.887 2.108 1.00 35.62 O ATOM 170 N SER A 30 6.588 18.136 2.952 1.00 20.17 N ATOM 171 CA SER A 30 8.044 18.306 2.815 1.00 21.20 C ATOM 172 C SER A 30 8.647 17.229 1.936 1.00 20.81 C ATOM 173 O SER A 30 9.400 17.526 1.007 1.00 20.23 O ATOM 174 CB SER A 30 8.756 18.251 4.168 1.00 20.85 C ATOM 175 OG SER A 30 8.186 19.165 5.071 1.00 22.61 O ATOM 176 N VAL A 31 8.319 15.977 2.255 1.00 19.61 N ATOM 177 CA VAL A 31 8.854 14.838 1.536 1.00 19.35 C ATOM 178 C VAL A 31 8.511 15.024 0.065 1.00 19.56 C ATOM 179 O VAL A 31 9.358 14.826 -0.818 1.00 18.82 O ATOM 180 CB VAL A 31 8.305 13.485 2.099 1.00 17.19 C ATOM 181 CG1 VAL A 31 8.822 12.296 1.311 1.00 13.29 C ATOM 182 CG2 VAL A 31 8.692 13.328 3.560 1.00 16.54 C ATOM 183 N LYS A 32 7.281 15.454 -0.192 1.00 21.54 N ATOM 184 CA LYS A 32 6.820 15.641 -1.558 1.00 23.59 C ATOM 185 C LYS A 32 7.678 16.691 -2.217 1.00 24.03 C ATOM 186 O LYS A 32 8.231 16.456 -3.284 1.00 24.33 O ATOM 187 CB LYS A 32 5.356 16.051 -1.573 1.00 26.25 C ATOM 188 CG LYS A 32 4.620 15.779 -2.860 1.00 27.67 C ATOM 189 CD LYS A 32 3.099 15.658 -2.575 1.00 30.61 C ATOM 190 CE LYS A 32 2.232 15.563 -3.864 1.00 32.57 C ATOM 191 NZ LYS A 32 0.971 14.717 -3.679 1.00 32.50 N ATOM 192 N GLN A 33 7.831 17.833 -1.551 1.00 26.10 N ATOM 193 CA GLN A 33 8.637 18.931 -2.092 1.00 26.47 C ATOM 194 C GLN A 33 10.050 18.507 -2.465 1.00 22.82 C ATOM 195 O GLN A 33 10.506 18.777 -3.564 1.00 19.90 O ATOM 196 CB GLN A 33 8.720 20.082 -1.090 1.00 28.92 C ATOM 197 CG GLN A 33 9.395 21.341 -1.656 1.00 30.71 C ATOM 198 CD GLN A 33 9.586 22.418 -0.600 1.00 33.42 C ATOM 199 OE1 GLN A 33 9.015 22.343 0.501 1.00 36.85 O ATOM 200 NE2 GLN A 33 10.404 23.423 -0.921 1.00 35.99 N ATOM 201 N ALA A 34 10.722 17.859 -1.515 1.00 23.20 N ATOM 202 CA ALA A 34 12.103 17.397 -1.654 1.00 22.44 C ATOM 203 C ALA A 34 12.265 16.541 -2.901 1.00 23.49 C ATOM 204 O ALA A 34 13.162 16.769 -3.715 1.00 25.59 O ATOM 205 CB ALA A 34 12.497 16.610 -0.428 1.00 19.85 C ATOM 206 N LEU A 35 11.380 15.565 -3.049 1.00 22.24 N ATOM 207 CA LEU A 35 11.351 14.732 -4.238 1.00 22.31 C ATOM 208 C LEU A 35 11.015 15.546 -5.496 1.00 21.70 C ATOM 209 O LEU A 35 11.612 15.356 -6.542 1.00 20.11 O ATOM 210 CB LEU A 35 10.330 13.600 -4.052 1.00 21.06 C ATOM 211 CG LEU A 35 10.662 12.542 -2.999 1.00 17.83 C ATOM 212 CD1 LEU A 35 9.422 11.773 -2.607 1.00 15.82 C ATOM 213 CD2 LEU A 35 11.724 11.620 -3.529 1.00 14.47 C ATOM 214 N LYS A 36 10.055 16.451 -5.398 1.00 25.22 N ATOM 215 CA LYS A 36 9.716 17.296 -6.532 1.00 28.55 C ATOM 216 C LYS A 36 10.985 18.014 -7.002 1.00 27.96 C ATOM 217 O LYS A 36 11.236 18.178 -8.203 1.00 25.96 O ATOM 218 CB LYS A 36 8.627 18.294 -6.137 1.00 30.68 C ATOM 219 CG LYS A 36 7.634 18.592 -7.252 1.00 35.87 C ATOM 220 CD LYS A 36 6.179 18.707 -6.750 1.00 37.41 C ATOM 221 CE LYS A 36 5.934 19.992 -5.932 1.00 41.36 C ATOM 222 NZ LYS A 36 4.565 20.012 -5.310 1.00 41.58 N ATOM 223 N ASN A 37 11.799 18.399 -6.026 1.00 30.57 N ATOM 224 CA ASN A 37 13.070 19.057 -6.267 1.00 30.14 C ATOM 225 C ASN A 37 14.105 18.094 -6.831 1.00 29.13 C ATOM 226 O ASN A 37 14.708 18.374 -7.859 1.00 31.06 O ATOM 227 CB ASN A 37 13.593 19.668 -4.964 1.00 34.07 C ATOM 228 CG ASN A 37 14.798 20.563 -5.180 1.00 36.23 C ATOM 229 OD1 ASN A 37 14.722 21.547 -5.916 1.00 40.24 O ATOM 230 ND2 ASN A 37 15.917 20.233 -4.531 1.00 37.38 N ATOM 231 N TYR A 38 14.313 16.975 -6.141 1.00 25.95 N ATOM 232 CA TYR A 38 15.241 15.917 -6.582 1.00 24.15 C ATOM 233 C TYR A 38 15.048 15.604 -8.067 1.00 21.95 C ATOM 234 O TYR A 38 16.000 15.683 -8.855 1.00 20.28 O ATOM 235 CB TYR A 38 15.045 14.661 -5.710 1.00 21.70 C ATOM 236 CG TYR A 38 15.970 13.496 -5.990 1.00 21.57 C ATOM 237 CD1 TYR A 38 17.343 13.662 -6.081 1.00 22.93 C ATOM 238 CD2 TYR A 38 15.471 12.222 -6.138 1.00 21.03 C ATOM 239 CE1 TYR A 38 18.193 12.575 -6.337 1.00 22.13 C ATOM 240 CE2 TYR A 38 16.301 11.138 -6.386 1.00 21.77 C ATOM 241 CZ TYR A 38 17.659 11.311 -6.485 1.00 21.42 C ATOM 242 OH TYR A 38 18.461 10.210 -6.744 1.00 21.15 O ATOM 243 N PHE A 39 13.806 15.305 -8.445 1.00 22.01 N ATOM 244 CA PHE A 39 13.482 14.909 -9.819 1.00 23.58 C ATOM 245 C PHE A 39 13.731 16.008 -10.794 1.00 22.74 C ATOM 246 O PHE A 39 14.083 15.743 -11.929 1.00 22.25 O ATOM 247 CB PHE A 39 12.013 14.523 -9.969 1.00 24.86 C ATOM 248 CG PHE A 39 11.618 13.280 -9.222 1.00 25.36 C ATOM 249 CD1 PHE A 39 10.411 13.220 -8.556 1.00 25.55 C ATOM 250 CD2 PHE A 39 12.443 12.170 -9.186 1.00 26.68 C ATOM 251 CE1 PHE A 39 10.037 12.079 -7.884 1.00 26.16 C ATOM 252 CE2 PHE A 39 12.067 11.031 -8.511 1.00 26.14 C ATOM 253 CZ PHE A 39 10.866 10.990 -7.860 1.00 26.21 C ATOM 254 N ALA A 40 13.490 17.240 -10.358 1.00 25.82 N ATOM 255 CA ALA A 40 13.686 18.420 -11.198 1.00 27.18 C ATOM 256 C ALA A 40 15.146 18.548 -11.603 1.00 27.67 C ATOM 257 O ALA A 40 15.458 18.723 -12.778 1.00 25.12 O ATOM 258 CB ALA A 40 13.226 19.672 -10.465 1.00 25.41 C ATOM 259 N GLN A 41 16.033 18.431 -10.619 1.00 32.30 N ATOM 260 CA GLN A 41 17.476 18.523 -10.843 1.00 35.83 C ATOM 261 C GLN A 41 18.004 17.403 -11.739 1.00 37.11 C ATOM 262 O GLN A 41 18.887 17.653 -12.551 1.00 39.42 O ATOM 263 CB GLN A 41 18.228 18.539 -9.514 1.00 37.68 C ATOM 264 CG GLN A 41 18.084 19.851 -8.743 1.00 40.00 C ATOM 265 CD GLN A 41 18.386 19.692 -7.246 1.00 42.06 C ATOM 266 OE1 GLN A 41 19.147 18.805 -6.844 1.00 45.08 O ATOM 267 NE2 GLN A 41 17.783 20.554 -6.416 1.00 45.07 N ATOM 268 N LEU A 42 17.474 16.183 -11.593 1.00 37.28 N ATOM 269 CA LEU A 42 17.763 15.098 -12.548 1.00 37.02 C ATOM 270 C LEU A 42 17.256 15.459 -13.941 1.00 37.12 C ATOM 271 O LEU A 42 16.203 16.074 -14.091 1.00 38.45 O ATOM 272 CB LEU A 42 17.079 13.789 -12.138 1.00 36.58 C ATOM 273 CG LEU A 42 17.478 13.065 -10.853 1.00 36.68 C ATOM 274 CD1 LEU A 42 16.698 11.734 -10.764 1.00 34.97 C ATOM 275 CD2 LEU A 42 18.990 12.842 -10.763 1.00 35.25 C ATOM 276 N ASN A 43 17.992 15.076 -14.966 1.00 36.89 N ATOM 277 CA ASN A 43 17.498 15.253 -16.313 1.00 38.77 C ATOM 278 C ASN A 43 17.426 13.918 -16.970 1.00 39.98 C ATOM 279 O ASN A 43 18.271 13.567 -17.801 1.00 42.82 O ATOM 280 CB ASN A 43 18.385 16.205 -17.100 1.00 40.95 C ATOM 281 CG ASN A 43 17.964 17.637 -16.937 1.00 42.34 C ATOM 282 OD1 ASN A 43 18.089 18.439 -17.869 1.00 43.81 O ATOM 283 ND2 ASN A 43 17.442 17.975 -15.752 1.00 40.89 N ATOM 284 N GLY A 44 16.421 13.152 -16.561 1.00 40.40 N ATOM 285 CA GLY A 44 16.222 11.806 -17.081 1.00 41.01 C ATOM 286 C GLY A 44 17.411 10.905 -16.809 1.00 42.13 C ATOM 287 O GLY A 44 17.562 9.853 -17.454 1.00 43.45 O ATOM 288 N GLN A 45 18.265 11.327 -15.870 1.00 40.11 N ATOM 289 CA GLN A 45 19.316 10.469 -15.359 1.00 39.07 C ATOM 290 C GLN A 45 18.564 9.446 -14.562 1.00 39.68 C ATOM 291 O GLN A 45 17.555 9.782 -13.929 1.00 39.31 O ATOM 292 CB GLN A 45 20.277 11.225 -14.447 1.00 38.01 C ATOM 293 CG GLN A 45 20.937 12.417 -15.093 1.00 36.48 C ATOM 294 CD GLN A 45 21.908 13.076 -14.166 1.00 34.97 C ATOM 295 OE1 GLN A 45 21.704 14.208 -13.758 1.00 34.15 O ATOM 296 NE2 GLN A 45 22.961 12.362 -13.804 1.00 32.25 N ATOM 297 N ASP A 46 19.009 8.199 -14.605 1.00 40.40 N ATOM 298 CA ASP A 46 18.220 7.161 -13.972 1.00 41.21 C ATOM 299 C ASP A 46 18.408 7.234 -12.462 1.00 38.56 C ATOM 300 O ASP A 46 19.485 7.602 -11.993 1.00 36.45 O ATOM 301 CB ASP A 46 18.483 5.752 -14.579 1.00 45.77 C ATOM 302 CG ASP A 46 19.929 5.280 -14.437 1.00 48.12 C ATOM 303 OD1 ASP A 46 20.800 6.103 -14.082 1.00 53.39 O ATOM 304 OD2 ASP A 46 20.186 4.079 -14.690 1.00 46.05 O ATOM 305 N VAL A 47 17.321 6.983 -11.729 1.00 37.12 N ATOM 306 CA VAL A 47 17.372 6.737 -10.284 1.00 37.26 C ATOM 307 C VAL A 47 17.414 5.208 -10.103 1.00 35.97 C ATOM 308 O VAL A 47 16.888 4.481 -10.932 1.00 36.87 O ATOM 309 CB VAL A 47 16.149 7.341 -9.543 1.00 35.96 C ATOM 310 CG1 VAL A 47 16.388 7.353 -8.024 1.00 35.98 C ATOM 311 CG2 VAL A 47 15.855 8.745 -10.040 1.00 34.17 C ATOM 312 N ASN A 48 18.057 4.713 -9.054 1.00 36.65 N ATOM 313 CA ASN A 48 18.233 3.269 -8.919 1.00 37.70 C ATOM 314 C ASN A 48 17.784 2.698 -7.561 1.00 37.55 C ATOM 315 O ASN A 48 17.207 1.603 -7.523 1.00 38.58 O ATOM 316 CB ASN A 48 19.692 2.873 -9.234 1.00 40.89 C ATOM 317 CG ASN A 48 19.890 1.348 -9.364 1.00 41.83 C ATOM 318 OD1 ASN A 48 20.733 0.743 -8.667 1.00 42.25 O ATOM 319 ND2 ASN A 48 19.106 0.727 -10.249 1.00 43.53 N ATOM 320 N ASP A 49 18.038 3.414 -6.463 1.00 34.84 N ATOM 321 CA ASP A 49 17.670 2.923 -5.124 1.00 34.28 C ATOM 322 C ASP A 49 16.999 4.011 -4.278 1.00 29.91 C ATOM 323 O ASP A 49 17.474 4.368 -3.193 1.00 23.88 O ATOM 324 CB ASP A 49 18.896 2.352 -4.402 1.00 39.76 C ATOM 325 CG ASP A 49 19.562 1.221 -5.179 1.00 44.81 C ATOM 326 OD1 ASP A 49 20.800 1.285 -5.380 1.00 48.38 O ATOM 327 OD2 ASP A 49 18.849 0.275 -5.600 1.00 48.87 O ATOM 328 N LEU A 50 15.862 4.499 -4.774 1.00 26.12 N ATOM 329 CA LEU A 50 15.215 5.663 -4.191 1.00 25.37 C ATOM 330 C LEU A 50 14.498 5.351 -2.883 1.00 25.50 C ATOM 331 O LEU A 50 14.376 6.234 -2.018 1.00 28.20 O ATOM 332 CB LEU A 50 14.253 6.323 -5.188 1.00 22.21 C ATOM 333 CG LEU A 50 13.658 7.653 -4.704 1.00 22.09 C ATOM 334 CD1 LEU A 50 14.736 8.669 -4.286 1.00 20.56 C ATOM 335 CD2 LEU A 50 12.777 8.225 -5.757 1.00 21.05 C ATOM 336 N TYR A 51 14.034 4.112 -2.728 1.00 25.08 N ATOM 337 CA TYR A 51 13.347 3.714 -1.504 1.00 25.30 C ATOM 338 C TYR A 51 14.304 3.719 -0.330 1.00 26.64 C ATOM 339 O TYR A 51 14.030 4.345 0.683 1.00 27.70 O ATOM 340 CB TYR A 51 12.690 2.339 -1.623 1.00 23.24 C ATOM 341 CG TYR A 51 11.947 1.979 -0.363 1.00 23.12 C ATOM 342 CD1 TYR A 51 10.702 2.529 -0.095 1.00 23.65 C ATOM 343 CD2 TYR A 51 12.508 1.127 0.587 1.00 23.61 C ATOM 344 CE1 TYR A 51 10.023 2.229 1.078 1.00 23.44 C ATOM 345 CE2 TYR A 51 11.843 0.823 1.759 1.00 23.24 C ATOM 346 CZ TYR A 51 10.597 1.375 1.996 1.00 22.89 C ATOM 347 OH TYR A 51 9.914 1.082 3.148 1.00 22.55 O ATOM 348 N GLU A 52 15.431 3.027 -0.470 1.00 31.68 N ATOM 349 CA GLU A 52 16.416 2.935 0.614 1.00 30.96 C ATOM 350 C GLU A 52 17.112 4.297 0.814 1.00 29.78 C ATOM 351 O GLU A 52 17.657 4.572 1.885 1.00 28.73 O ATOM 352 CB GLU A 52 17.401 1.782 0.330 1.00 34.68 C ATOM 353 CG GLU A 52 18.591 1.667 1.271 1.00 39.45 C ATOM 354 CD GLU A 52 18.195 1.424 2.727 1.00 46.47 C ATOM 355 OE1 GLU A 52 18.795 2.071 3.625 1.00 50.45 O ATOM 356 OE2 GLU A 52 17.290 0.585 2.969 1.00 51.14 O ATOM 357 N LEU A 53 17.051 5.155 -0.207 1.00 28.86 N ATOM 358 CA LEU A 53 17.608 6.511 -0.137 1.00 27.20 C ATOM 359 C LEU A 53 16.797 7.345 0.810 1.00 24.55 C ATOM 360 O LEU A 53 17.331 7.921 1.751 1.00 25.14 O ATOM 361 CB LEU A 53 17.627 7.170 -1.523 1.00 28.84 C ATOM 362 CG LEU A 53 18.246 8.566 -1.716 1.00 30.39 C ATOM 363 CD1 LEU A 53 17.205 9.677 -1.667 1.00 31.53 C ATOM 364 CD2 LEU A 53 19.343 8.845 -0.698 1.00 31.86 C ATOM 365 N VAL A 54 15.497 7.395 0.569 1.00 23.51 N ATOM 366 CA VAL A 54 14.612 8.182 1.409 1.00 24.34 C ATOM 367 C VAL A 54 14.463 7.539 2.772 1.00 22.60 C ATOM 368 O VAL A 54 14.337 8.220 3.774 1.00 23.43 O ATOM 369 CB VAL A 54 13.220 8.307 0.806 1.00 25.77 C ATOM 370 CG1 VAL A 54 12.384 9.234 1.655 1.00 27.97 C ATOM 371 CG2 VAL A 54 13.297 8.815 -0.620 1.00 26.58 C ATOM 372 N LEU A 55 14.457 6.218 2.810 1.00 23.70 N ATOM 373 CA LEU A 55 14.358 5.509 4.078 1.00 24.33 C ATOM 374 C LEU A 55 15.500 5.930 4.991 1.00 23.56 C ATOM 375 O LEU A 55 15.273 6.185 6.168 1.00 22.48 O ATOM 376 CB LEU A 55 14.394 3.985 3.867 1.00 26.88 C ATOM 377 CG LEU A 55 13.984 3.102 5.060 1.00 26.49 C ATOM 378 CD1 LEU A 55 12.481 3.240 5.320 1.00 25.22 C ATOM 379 CD2 LEU A 55 14.374 1.633 4.834 1.00 25.58 C ATOM 380 N ALA A 56 16.718 5.993 4.437 1.00 23.71 N ATOM 381 CA ALA A 56 17.924 6.369 5.189 1.00 22.66 C ATOM 382 C ALA A 56 17.773 7.782 5.692 1.00 23.80 C ATOM 383 O ALA A 56 18.140 8.107 6.822 1.00 25.28 O ATOM 384 CB ALA A 56 19.164 6.265 4.319 1.00 20.24 C ATOM 385 N GLU A 57 17.200 8.622 4.850 1.00 23.42 N ATOM 386 CA GLU A 57 16.989 9.998 5.215 1.00 24.94 C ATOM 387 C GLU A 57 15.986 10.145 6.369 1.00 22.28 C ATOM 388 O GLU A 57 16.035 11.116 7.105 1.00 23.10 O ATOM 389 CB GLU A 57 16.529 10.776 3.981 1.00 29.79 C ATOM 390 CG GLU A 57 16.848 12.255 4.022 1.00 34.66 C ATOM 391 CD GLU A 57 18.348 12.574 3.896 1.00 38.65 C ATOM 392 OE1 GLU A 57 19.161 11.640 3.615 1.00 36.57 O ATOM 393 OE2 GLU A 57 18.688 13.782 4.077 1.00 41.41 O ATOM 394 N VAL A 58 15.093 9.179 6.536 1.00 21.83 N ATOM 395 CA VAL A 58 14.048 9.251 7.570 1.00 23.66 C ATOM 396 C VAL A 58 14.341 8.428 8.832 1.00 23.32 C ATOM 397 O VAL A 58 14.014 8.848 9.945 1.00 24.31 O ATOM 398 CB VAL A 58 12.688 8.828 6.993 1.00 22.52 C ATOM 399 CG1 VAL A 58 11.595 8.874 8.063 1.00 19.91 C ATOM 400 CG2 VAL A 58 12.346 9.735 5.826 1.00 23.47 C ATOM 401 N GLU A 59 14.952 7.266 8.673 1.00 23.22 N ATOM 402 CA GLU A 59 15.304 6.448 9.826 1.00 26.47 C ATOM 403 C GLU A 59 16.357 7.064 10.760 1.00 28.00 C ATOM 404 O GLU A 59 16.239 6.963 11.983 1.00 28.40 O ATOM 405 CB GLU A 59 15.797 5.085 9.363 1.00 28.51 C ATOM 406 CG GLU A 59 14.700 4.225 8.789 1.00 29.02 C ATOM 407 CD GLU A 59 15.110 2.786 8.655 1.00 27.88 C ATOM 408 OE1 GLU A 59 16.326 2.491 8.674 1.00 25.45 O ATOM 409 OE2 GLU A 59 14.196 1.953 8.536 1.00 30.76 O ATOM 410 N GLN A 60 17.393 7.675 10.190 1.00 28.00 N ATOM 411 CA GLN A 60 18.435 8.298 11.000 1.00 28.47 C ATOM 412 C GLN A 60 17.861 9.294 12.028 1.00 27.90 C ATOM 413 O GLN A 60 18.056 9.100 13.229 1.00 29.40 O ATOM 414 CB GLN A 60 19.516 8.937 10.110 1.00 30.91 C ATOM 415 CG GLN A 60 20.653 7.973 9.778 1.00 33.01 C ATOM 416 CD GLN A 60 21.427 8.303 8.492 1.00 33.37 C ATOM 417 OE1 GLN A 60 20.847 8.459 7.406 1.00 34.50 O ATOM 418 NE2 GLN A 60 22.753 8.361 8.608 1.00 34.92 N ATOM 419 N PRO A 61 17.123 10.331 11.574 1.00 26.54 N ATOM 420 CA PRO A 61 16.557 11.315 12.513 1.00 25.50 C ATOM 421 C PRO A 61 15.482 10.745 13.435 1.00 23.25 C ATOM 422 O PRO A 61 15.238 11.299 14.496 1.00 20.02 O ATOM 423 CB PRO A 61 15.927 12.377 11.603 1.00 25.82 C ATOM 424 CG PRO A 61 16.373 12.077 10.247 1.00 27.06 C ATOM 425 CD PRO A 61 16.750 10.640 10.187 1.00 27.40 C ATOM 426 N LEU A 62 14.834 9.661 13.019 1.00 22.54 N ATOM 427 CA LEU A 62 13.851 8.988 13.868 1.00 22.36 C ATOM 428 C LEU A 62 14.551 8.245 14.998 1.00 21.07 C ATOM 429 O LEU A 62 14.110 8.282 16.144 1.00 20.65 O ATOM 430 CB LEU A 62 12.995 8.016 13.044 1.00 21.49 C ATOM 431 CG LEU A 62 12.042 7.109 13.825 1.00 20.56 C ATOM 432 CD1 LEU A 62 11.214 7.916 14.810 1.00 18.41 C ATOM 433 CD2 LEU A 62 11.154 6.342 12.859 1.00 20.00 C ATOM 434 N LEU A 63 15.641 7.566 14.664 1.00 20.35 N ATOM 435 CA LEU A 63 16.411 6.830 15.655 1.00 21.93 C ATOM 436 C LEU A 63 17.060 7.840 16.582 1.00 23.17 C ATOM 437 O LEU A 63 17.002 7.726 17.811 1.00 22.85 O ATOM 438 CB LEU A 63 17.465 5.947 14.966 1.00 19.40 C ATOM 439 CG LEU A 63 16.932 4.798 14.079 1.00 15.49 C ATOM 440 CD1 LEU A 63 17.933 4.456 12.992 1.00 10.79 C ATOM 441 CD2 LEU A 63 16.552 3.572 14.924 1.00 12.73 C ATOM 442 N ASP A 64 17.647 8.860 15.977 1.00 27.05 N ATOM 443 CA ASP A 64 18.276 9.922 16.733 1.00 29.15 C ATOM 444 C ASP A 64 17.332 10.444 17.817 1.00 28.63 C ATOM 445 O ASP A 64 17.695 10.478 18.984 1.00 29.47 O ATOM 446 CB ASP A 64 18.706 11.048 15.796 1.00 33.60 C ATOM 447 CG ASP A 64 19.821 11.891 16.373 1.00 38.36 C ATOM 448 OD1 ASP A 64 19.881 12.068 17.614 1.00 41.21 O ATOM 449 OD2 ASP A 64 20.648 12.383 15.575 1.00 42.94 O ATOM 450 N MET A 65 16.117 10.807 17.431 1.00 28.26 N ATOM 451 CA MET A 65 15.175 11.428 18.355 1.00 29.96 C ATOM 452 C MET A 65 14.605 10.490 19.419 1.00 31.10 C ATOM 453 O MET A 65 14.436 10.916 20.565 1.00 31.94 O ATOM 454 CB MET A 65 14.001 12.035 17.598 1.00 31.72 C ATOM 455 CG MET A 65 14.337 13.198 16.700 1.00 33.59 C ATOM 456 SD MET A 65 14.679 14.713 17.592 1.00 36.70 S ATOM 457 CE MET A 65 16.460 14.538 17.823 1.00 38.33 C ATOM 458 N VAL A 66 14.277 9.243 19.069 1.00 30.22 N ATOM 459 CA VAL A 66 13.635 8.364 20.062 1.00 30.85 C ATOM 460 C VAL A 66 14.636 7.893 21.095 1.00 30.17 C ATOM 461 O VAL A 66 14.291 7.724 22.261 1.00 30.21 O ATOM 462 CB VAL A 66 12.931 7.142 19.465 1.00 30.38 C ATOM 463 CG1 VAL A 66 12.031 7.554 18.311 1.00 30.10 C ATOM 464 CG2 VAL A 66 13.939 6.111 19.038 1.00 32.15 C ATOM 465 N MET A 67 15.875 7.696 20.662 1.00 31.40 N ATOM 466 CA MET A 67 16.951 7.349 21.571 1.00 33.29 C ATOM 467 C MET A 67 17.223 8.500 22.521 1.00 34.99 C ATOM 468 O MET A 67 17.492 8.284 23.696 1.00 38.20 O ATOM 469 CB MET A 67 18.212 7.002 20.790 1.00 34.47 C ATOM 470 CG MET A 67 18.127 5.669 20.049 1.00 35.75 C ATOM 471 SD MET A 67 17.634 4.300 21.114 1.00 36.60 S ATOM 472 CE MET A 67 19.031 4.214 22.243 1.00 37.07 C ATOM 473 N GLN A 68 17.130 9.724 22.013 1.00 35.89 N ATOM 474 CA GLN A 68 17.270 10.922 22.833 1.00 35.45 C ATOM 475 C GLN A 68 16.113 11.030 23.829 1.00 33.86 C ATOM 476 O GLN A 68 16.332 11.273 25.020 1.00 32.41 O ATOM 477 CB GLN A 68 17.318 12.155 21.935 1.00 37.61 C ATOM 478 CG GLN A 68 18.235 13.265 22.427 1.00 40.85 C ATOM 479 CD GLN A 68 18.791 14.101 21.280 1.00 42.03 C ATOM 480 OE1 GLN A 68 19.419 13.569 20.355 1.00 45.71 O ATOM 481 NE2 GLN A 68 18.559 15.412 21.332 1.00 42.57 N ATOM 482 N TYR A 69 14.892 10.824 23.336 1.00 33.80 N ATOM 483 CA TYR A 69 13.693 10.819 24.179 1.00 33.76 C ATOM 484 C TYR A 69 13.665 9.700 25.220 1.00 33.58 C ATOM 485 O TYR A 69 13.262 9.940 26.347 1.00 33.72 O ATOM 486 CB TYR A 69 12.438 10.711 23.324 1.00 35.95 C ATOM 487 CG TYR A 69 11.155 10.892 24.107 1.00 36.30 C ATOM 488 CD1 TYR A 69 10.659 12.165 24.382 1.00 36.48 C ATOM 489 CD2 TYR A 69 10.432 9.793 24.568 1.00 37.06 C ATOM 490 CE1 TYR A 69 9.478 12.342 25.096 1.00 36.91 C ATOM 491 CE2 TYR A 69 9.244 9.960 25.284 1.00 37.14 C ATOM 492 CZ TYR A 69 8.776 11.238 25.544 1.00 37.28 C ATOM 493 OH TYR A 69 7.611 11.415 26.253 1.00 38.00 O ATOM 494 N THR A 70 14.070 8.484 24.846 1.00 33.10 N ATOM 495 CA THR A 70 14.135 7.369 25.796 1.00 32.44 C ATOM 496 C THR A 70 15.479 7.312 26.526 1.00 34.06 C ATOM 497 O THR A 70 15.813 6.300 27.144 1.00 35.87 O ATOM 498 CB THR A 70 13.906 6.023 25.107 1.00 29.91 C ATOM 499 OG1 THR A 70 15.041 5.709 24.297 1.00 29.26 O ATOM 500 CG2 THR A 70 12.650 6.058 24.255 1.00 28.87 C ATOM 501 N ARG A 71 16.260 8.386 26.434 1.00 35.76 N ATOM 502 CA ARG A 71 17.486 8.534 27.219 1.00 36.64 C ATOM 503 C ARG A 71 18.495 7.400 27.007 1.00 33.17 C ATOM 504 O ARG A 71 19.243 7.057 27.906 1.00 32.95 O ATOM 505 CB ARG A 71 17.126 8.655 28.707 1.00 43.05 C ATOM 506 CG ARG A 71 18.058 9.551 29.510 1.00 48.38 C ATOM 507 CD ARG A 71 17.804 11.017 29.212 1.00 53.90 C ATOM 508 NE ARG A 71 16.478 11.455 29.663 1.00 56.82 N ATOM 509 CZ ARG A 71 16.239 12.268 30.696 1.00 58.83 C ATOM 510 NH1 ARG A 71 17.231 12.766 31.433 1.00 60.64 N ATOM 511 NH2 ARG A 71 14.984 12.594 30.999 1.00 58.90 N ATOM 512 N GLY A 72 18.507 6.831 25.810 1.00 31.74 N ATOM 513 CA GLY A 72 19.439 5.756 25.455 1.00 31.65 C ATOM 514 C GLY A 72 18.880 4.357 25.649 1.00 29.86 C ATOM 515 O GLY A 72 19.513 3.373 25.251 1.00 26.05 O ATOM 516 N ASN A 73 17.700 4.279 26.266 1.00 28.50 N ATOM 517 CA ASN A 73 17.055 3.013 26.568 1.00 28.05 C ATOM 518 C ASN A 73 16.540 2.324 25.293 1.00 27.70 C ATOM 519 O ASN A 73 15.436 2.599 24.822 1.00 28.46 O ATOM 520 CB ASN A 73 15.908 3.251 27.557 1.00 28.34 C ATOM 521 CG ASN A 73 15.343 1.961 28.137 1.00 29.34 C ATOM 522 OD1 ASN A 73 15.435 0.892 27.528 1.00 31.75 O ATOM 523 ND2 ASN A 73 14.748 2.060 29.322 1.00 28.93 N ATOM 524 N GLN A 74 17.346 1.425 24.743 1.00 25.55 N ATOM 525 CA GLN A 74 16.953 0.659 23.571 1.00 25.73 C ATOM 526 C GLN A 74 15.613 -0.068 23.736 1.00 25.86 C ATOM 527 O GLN A 74 14.872 -0.228 22.765 1.00 26.73 O ATOM 528 CB GLN A 74 18.039 -0.353 23.204 1.00 24.72 C ATOM 529 CG GLN A 74 19.267 0.266 22.578 1.00 25.72 C ATOM 530 CD GLN A 74 20.357 -0.750 22.347 1.00 27.27 C ATOM 531 OE1 GLN A 74 20.413 -1.420 21.304 1.00 27.46 O ATOM 532 NE2 GLN A 74 21.231 -0.893 23.341 1.00 30.65 N ATOM 533 N THR A 75 15.298 -0.512 24.948 1.00 26.63 N ATOM 534 CA THR A 75 14.092 -1.313 25.167 1.00 28.41 C ATOM 535 C THR A 75 12.831 -0.460 25.010 1.00 30.68 C ATOM 536 O THR A 75 11.940 -0.807 24.230 1.00 30.89 O ATOM 537 CB THR A 75 14.108 -2.002 26.549 1.00 26.40 C ATOM 538 OG1 THR A 75 15.285 -2.809 26.658 1.00 25.70 O ATOM 539 CG2 THR A 75 12.866 -2.868 26.744 1.00 24.96 C ATOM 540 N ARG A 76 12.770 0.652 25.743 1.00 32.93 N ATOM 541 CA ARG A 76 11.639 1.583 25.657 1.00 34.91 C ATOM 542 C ARG A 76 11.565 2.237 24.280 1.00 33.28 C ATOM 543 O ARG A 76 10.477 2.491 23.779 1.00 34.22 O ATOM 544 CB ARG A 76 11.724 2.667 26.743 1.00 39.77 C ATOM 545 CG ARG A 76 11.344 2.173 28.157 1.00 43.86 C ATOM 546 CD ARG A 76 11.727 3.183 29.257 1.00 46.13 C ATOM 547 NE ARG A 76 11.505 4.567 28.829 1.00 49.84 N ATOM 548 CZ ARG A 76 10.315 5.168 28.767 1.00 51.33 C ATOM 549 NH1 ARG A 76 9.205 4.516 29.116 1.00 51.92 N ATOM 550 NH2 ARG A 76 10.233 6.436 28.356 1.00 51.02 N ATOM 551 N ALA A 77 12.721 2.505 23.674 1.00 29.88 N ATOM 552 CA ALA A 77 12.772 3.028 22.314 1.00 26.72 C ATOM 553 C ALA A 77 12.086 2.078 21.338 1.00 23.17 C ATOM 554 O ALA A 77 11.216 2.495 20.583 1.00 19.67 O ATOM 555 CB ALA A 77 14.202 3.282 21.900 1.00 24.42 C ATOM 556 N ALA A 78 12.464 0.804 21.363 1.00 23.79 N ATOM 557 CA ALA A 78 11.860 -0.190 20.462 1.00 25.91 C ATOM 558 C ALA A 78 10.355 -0.327 20.686 1.00 26.06 C ATOM 559 O ALA A 78 9.593 -0.490 19.732 1.00 24.37 O ATOM 560 CB ALA A 78 12.537 -1.553 20.610 1.00 24.15 C ATOM 561 N LEU A 79 9.939 -0.262 21.951 1.00 29.05 N ATOM 562 CA LEU A 79 8.520 -0.394 22.327 1.00 30.63 C ATOM 563 C LEU A 79 7.713 0.783 21.812 1.00 32.84 C ATOM 564 O LEU A 79 6.572 0.620 21.370 1.00 32.72 O ATOM 565 CB LEU A 79 8.361 -0.492 23.851 1.00 29.99 C ATOM 566 CG LEU A 79 8.789 -1.823 24.480 1.00 30.10 C ATOM 567 CD1 LEU A 79 8.983 -1.675 25.980 1.00 30.24 C ATOM 568 CD2 LEU A 79 7.775 -2.908 24.173 1.00 28.99 C ATOM 569 N MET A 80 8.332 1.963 21.879 1.00 35.38 N ATOM 570 CA MET A 80 7.749 3.214 21.404 1.00 35.13 C ATOM 571 C MET A 80 7.499 3.145 19.903 1.00 33.91 C ATOM 572 O MET A 80 6.403 3.453 19.434 1.00 34.87 O ATOM 573 CB MET A 80 8.698 4.372 21.715 1.00 38.29 C ATOM 574 CG MET A 80 8.019 5.702 21.947 1.00 41.18 C ATOM 575 SD MET A 80 9.046 6.865 22.897 1.00 43.34 S ATOM 576 CE MET A 80 8.125 8.382 22.565 1.00 40.89 C ATOM 577 N MET A 81 8.518 2.714 19.162 1.00 31.58 N ATOM 578 CA MET A 81 8.446 2.621 17.708 1.00 29.97 C ATOM 579 C MET A 81 7.607 1.450 17.232 1.00 29.11 C ATOM 580 O MET A 81 7.228 1.389 16.058 1.00 29.99 O ATOM 581 CB MET A 81 9.848 2.491 17.125 1.00 29.13 C ATOM 582 CG MET A 81 10.678 3.739 17.247 1.00 29.32 C ATOM 583 SD MET A 81 12.411 3.492 16.810 1.00 32.48 S ATOM 584 CE MET A 81 12.343 3.236 15.032 1.00 28.87 C ATOM 585 N GLY A 82 7.340 0.509 18.130 1.00 28.17 N ATOM 586 CA GLY A 82 6.589 -0.688 17.779 1.00 27.72 C ATOM 587 C GLY A 82 7.353 -1.663 16.899 1.00 26.64 C ATOM 588 O GLY A 82 6.754 -2.309 16.034 1.00 27.30 O ATOM 589 N ILE A 83 8.668 -1.775 17.110 1.00 25.43 N ATOM 590 CA ILE A 83 9.481 -2.794 16.423 1.00 25.15 C ATOM 591 C ILE A 83 10.291 -3.600 17.426 1.00 25.22 C ATOM 592 O ILE A 83 10.447 -3.190 18.578 1.00 27.12 O ATOM 593 CB ILE A 83 10.422 -2.175 15.381 1.00 23.02 C ATOM 594 CG1 ILE A 83 11.393 -1.194 16.040 1.00 21.36 C ATOM 595 CG2 ILE A 83 9.611 -1.487 14.304 1.00 22.00 C ATOM 596 CD1 ILE A 83 12.422 -0.660 15.096 1.00 21.48 C ATOM 597 N ASN A 84 10.818 -4.735 16.990 1.00 25.42 N ATOM 598 CA ASN A 84 11.562 -5.604 17.896 1.00 27.95 C ATOM 599 C ASN A 84 12.858 -4.956 18.365 1.00 27.80 C ATOM 600 O ASN A 84 13.474 -4.199 17.620 1.00 27.03 O ATOM 601 CB ASN A 84 11.868 -6.946 17.223 1.00 30.03 C ATOM 602 CG ASN A 84 12.163 -8.048 18.226 1.00 29.93 C ATOM 603 OD1 ASN A 84 13.274 -8.580 18.276 1.00 32.70 O ATOM 604 ND2 ASN A 84 11.159 -8.408 19.019 1.00 30.28 N ATOM 605 N ARG A 85 13.269 -5.260 19.596 1.00 28.83 N ATOM 606 CA ARG A 85 14.531 -4.739 20.126 1.00 29.33 C ATOM 607 C ARG A 85 15.697 -5.124 19.208 1.00 28.82 C ATOM 608 O ARG A 85 16.624 -4.346 19.019 1.00 28.24 O ATOM 609 CB ARG A 85 14.795 -5.234 21.560 1.00 30.61 C ATOM 610 CG ARG A 85 16.080 -4.640 22.174 1.00 32.53 C ATOM 611 CD ARG A 85 16.276 -4.899 23.701 1.00 33.95 C ATOM 612 NE ARG A 85 16.952 -6.169 24.001 1.00 34.40 N ATOM 613 CZ ARG A 85 16.327 -7.320 24.245 1.00 35.82 C ATOM 614 NH1 ARG A 85 15.001 -7.387 24.229 1.00 38.24 N ATOM 615 NH2 ARG A 85 17.021 -8.414 24.512 1.00 34.48 N ATOM 616 N GLY A 86 15.636 -6.320 18.630 1.00 27.74 N ATOM 617 CA GLY A 86 16.668 -6.783 17.713 1.00 26.68 C ATOM 618 C GLY A 86 16.727 -5.939 16.467 1.00 24.91 C ATOM 619 O GLY A 86 17.800 -5.528 16.039 1.00 24.30 O ATOM 620 N THR A 87 15.560 -5.679 15.891 1.00 24.85 N ATOM 621 CA THR A 87 15.467 -4.842 14.714 1.00 26.23 C ATOM 622 C THR A 87 16.097 -3.490 14.999 1.00 26.99 C ATOM 623 O THR A 87 16.891 -2.999 14.197 1.00 27.15 O ATOM 624 CB THR A 87 13.999 -4.651 14.265 1.00 27.90 C ATOM 625 OG1 THR A 87 13.423 -5.929 13.966 1.00 29.72 O ATOM 626 CG2 THR A 87 13.903 -3.747 13.015 1.00 26.54 C ATOM 627 N LEU A 88 15.753 -2.904 16.149 1.00 26.86 N ATOM 628 CA LEU A 88 16.269 -1.594 16.537 1.00 26.21 C ATOM 629 C LEU A 88 17.788 -1.605 16.584 1.00 27.36 C ATOM 630 O LEU A 88 18.440 -0.707 16.049 1.00 29.06 O ATOM 631 CB LEU A 88 15.705 -1.156 17.891 1.00 25.04 C ATOM 632 CG LEU A 88 16.325 0.105 18.517 1.00 25.46 C ATOM 633 CD1 LEU A 88 16.303 1.280 17.537 1.00 25.46 C ATOM 634 CD2 LEU A 88 15.622 0.473 19.810 1.00 23.65 C ATOM 635 N ARG A 89 18.346 -2.637 17.198 1.00 27.99 N ATOM 636 CA ARG A 89 19.794 -2.746 17.322 1.00 30.78 C ATOM 637 C ARG A 89 20.439 -2.736 15.947 1.00 29.12 C ATOM 638 O ARG A 89 21.388 -1.990 15.707 1.00 27.81 O ATOM 639 CB ARG A 89 20.181 -4.030 18.051 1.00 34.50 C ATOM 640 CG ARG A 89 19.270 -4.364 19.213 1.00 37.50 C ATOM 641 CD ARG A 89 19.828 -5.427 20.132 1.00 39.05 C ATOM 642 NE ARG A 89 20.576 -4.853 21.251 1.00 40.89 N ATOM 643 CZ ARG A 89 21.902 -4.760 21.323 1.00 41.18 C ATOM 644 NH1 ARG A 89 22.691 -5.190 20.336 1.00 40.03 N ATOM 645 NH2 ARG A 89 22.448 -4.228 22.407 1.00 41.43 N ATOM 646 N LYS A 90 19.899 -3.570 15.061 1.00 27.72 N ATOM 647 CA LYS A 90 20.363 -3.686 13.687 1.00 28.65 C ATOM 648 C LYS A 90 20.386 -2.328 12.981 1.00 27.91 C ATOM 649 O LYS A 90 21.377 -1.968 12.339 1.00 25.03 O ATOM 650 CB LYS A 90 19.457 -4.661 12.916 1.00 29.72 C ATOM 651 CG LYS A 90 19.985 -5.105 11.548 1.00 29.64 C ATOM 652 CD LYS A 90 18.909 -5.896 10.790 1.00 30.80 C ATOM 653 CE LYS A 90 19.415 -6.531 9.471 1.00 31.50 C ATOM 654 NZ LYS A 90 18.313 -7.208 8.735 1.00 30.08 N ATOM 655 N LYS A 91 19.286 -1.585 13.101 1.00 28.82 N ATOM 656 CA LYS A 91 19.153 -0.266 12.469 1.00 28.22 C ATOM 657 C LYS A 91 20.121 0.735 13.076 1.00 27.41 C ATOM 658 O LYS A 91 20.639 1.599 12.367 1.00 27.13 O ATOM 659 CB LYS A 91 17.718 0.263 12.581 1.00 28.33 C ATOM 660 CG LYS A 91 16.768 -0.294 11.520 1.00 29.82 C ATOM 661 CD LYS A 91 15.296 0.050 11.820 1.00 29.61 C ATOM 662 CE LYS A 91 14.348 -0.322 10.659 1.00 29.27 C ATOM 663 NZ LYS A 91 14.497 -1.725 10.138 1.00 28.96 N ATOM 664 N LEU A 92 20.365 0.626 14.378 1.00 25.66 N ATOM 665 CA LEU A 92 21.328 1.504 15.015 1.00 28.21 C ATOM 666 C LEU A 92 22.721 1.271 14.431 1.00 30.20 C ATOM 667 O LEU A 92 23.417 2.221 14.055 1.00 29.30 O ATOM 668 CB LEU A 92 21.340 1.316 16.536 1.00 26.01 C ATOM 669 CG LEU A 92 20.068 1.733 17.278 1.00 24.18 C ATOM 670 CD1 LEU A 92 20.140 1.240 18.715 1.00 22.25 C ATOM 671 CD2 LEU A 92 19.847 3.232 17.205 1.00 21.30 C ATOM 672 N LYS A 93 23.127 0.008 14.342 1.00 34.42 N ATOM 673 CA LYS A 93 24.461 -0.310 13.820 1.00 35.34 C ATOM 674 C LYS A 93 24.554 0.063 12.335 1.00 34.10 C ATOM 675 O LYS A 93 25.600 0.521 11.878 1.00 34.02 O ATOM 676 CB LYS A 93 24.858 -1.782 14.099 1.00 39.83 C ATOM 677 CG LYS A 93 24.214 -2.825 13.198 1.00 43.03 C ATOM 678 CD LYS A 93 24.959 -2.990 11.857 1.00 45.09 C ATOM 679 CE LYS A 93 24.020 -3.163 10.653 1.00 43.85 C ATOM 680 NZ LYS A 93 24.789 -2.961 9.394 1.00 43.93 N ATOM 681 N LYS A 94 23.456 -0.098 11.599 1.00 32.18 N ATOM 682 CA LYS A 94 23.415 0.280 10.175 1.00 32.22 C ATOM 683 C LYS A 94 23.835 1.709 9.928 1.00 29.72 C ATOM 684 O LYS A 94 24.492 1.996 8.944 1.00 29.49 O ATOM 685 CB LYS A 94 22.016 0.104 9.592 1.00 30.65 C ATOM 686 CG LYS A 94 21.864 0.613 8.176 1.00 29.86 C ATOM 687 CD LYS A 94 20.465 0.329 7.707 1.00 30.83 C ATOM 688 CE LYS A 94 20.232 0.675 6.258 1.00 30.67 C ATOM 689 NZ LYS A 94 18.813 0.339 5.922 1.00 30.31 N ATOM 690 N TYR A 95 23.418 2.607 10.800 1.00 30.22 N ATOM 691 CA TYR A 95 23.763 4.016 10.658 1.00 33.17 C ATOM 692 C TYR A 95 24.892 4.389 11.614 1.00 34.42 C ATOM 693 O TYR A 95 25.233 5.562 11.780 1.00 33.11 O ATOM 694 CB TYR A 95 22.520 4.887 10.887 1.00 31.15 C ATOM 695 CG TYR A 95 21.389 4.572 9.928 1.00 30.26 C ATOM 696 CD1 TYR A 95 21.536 4.774 8.564 1.00 29.55 C ATOM 697 CD2 TYR A 95 20.180 4.065 10.385 1.00 30.77 C ATOM 698 CE1 TYR A 95 20.515 4.475 7.676 1.00 29.89 C ATOM 699 CE2 TYR A 95 19.147 3.776 9.504 1.00 30.44 C ATOM 700 CZ TYR A 95 19.326 3.985 8.152 1.00 29.98 C ATOM 701 OH TYR A 95 18.320 3.699 7.271 1.00 30.91 O ATOM 702 N GLY A 96 25.460 3.372 12.246 1.00 37.31 N ATOM 703 CA GLY A 96 26.603 3.549 13.119 1.00 39.17 C ATOM 704 C GLY A 96 26.351 4.448 14.308 1.00 39.88 C ATOM 705 O GLY A 96 27.169 5.311 14.604 1.00 40.13 O ATOM 706 N MET A 97 25.236 4.244 15.003 1.00 41.63 N ATOM 707 CA MET A 97 24.958 5.015 16.221 1.00 44.37 C ATOM 708 C MET A 97 24.810 4.108 17.445 1.00 46.62 C ATOM 709 O MET A 97 23.710 3.742 17.846 1.00 48.28 O ATOM 710 CB MET A 97 23.748 5.956 16.042 1.00 43.81 C ATOM 711 CG MET A 97 22.574 5.397 15.253 1.00 43.30 C ATOM 712 SD MET A 97 21.325 6.647 14.890 1.00 42.81 S ATOM 713 CE MET A 97 22.116 7.591 13.582 1.00 41.70 C ATOM 714 N ASN A 98 25.951 3.749 18.023 1.00 49.44 N ATOM 715 CA ASN A 98 26.016 2.882 19.205 1.00 51.31 C ATOM 716 C ASN A 98 27.474 2.759 19.699 1.00 53.41 C ATOM 717 O ASN A 98 27.796 1.971 20.598 1.00 54.27 O ATOM 718 CB ASN A 98 25.416 1.494 18.907 1.00 52.04 C ATOM 719 CG ASN A 98 25.901 0.910 17.584 1.00 52.16 C ATOM 720 OD1 ASN A 98 25.188 0.145 16.941 1.00 53.52 O ATOM 721 ND2 ASN A 98 27.114 1.266 17.177 1.00 51.70 N TER 722 ASN A 98 ATOM 723 N MET B 1 35.003 19.971 -13.016 1.00 42.04 N ATOM 724 CA MET B 1 35.030 20.091 -11.526 1.00 41.58 C ATOM 725 C MET B 1 33.651 19.754 -10.939 1.00 41.70 C ATOM 726 O MET B 1 32.655 20.418 -11.259 1.00 42.58 O ATOM 727 CB MET B 1 35.465 21.514 -11.108 1.00 42.52 C ATOM 728 N PHE B 2 33.591 18.727 -10.089 1.00 38.89 N ATOM 729 CA PHE B 2 32.323 18.304 -9.481 1.00 35.66 C ATOM 730 C PHE B 2 32.355 18.532 -7.985 1.00 31.12 C ATOM 731 O PHE B 2 33.200 17.987 -7.282 1.00 28.04 O ATOM 732 CB PHE B 2 32.041 16.833 -9.784 1.00 36.69 C ATOM 733 CG PHE B 2 31.894 16.547 -11.239 1.00 36.64 C ATOM 734 CD1 PHE B 2 32.993 16.203 -11.999 1.00 37.49 C ATOM 735 CD2 PHE B 2 30.662 16.662 -11.862 1.00 37.39 C ATOM 736 CE1 PHE B 2 32.865 15.963 -13.357 1.00 37.95 C ATOM 737 CE2 PHE B 2 30.525 16.415 -13.223 1.00 36.89 C ATOM 738 CZ PHE B 2 31.624 16.065 -13.968 1.00 36.97 C ATOM 739 N GLU B 3 31.436 19.343 -7.493 1.00 28.06 N ATOM 740 CA GLU B 3 31.424 19.630 -6.074 1.00 29.92 C ATOM 741 C GLU B 3 30.700 18.518 -5.318 1.00 27.95 C ATOM 742 O GLU B 3 29.737 17.935 -5.814 1.00 26.24 O ATOM 743 CB GLU B 3 30.819 21.012 -5.799 1.00 30.34 C ATOM 744 CG GLU B 3 31.752 22.166 -6.177 1.00 31.21 C ATOM 745 CD GLU B 3 31.148 23.557 -5.947 1.00 32.41 C ATOM 746 OE1 GLU B 3 30.605 23.835 -4.842 1.00 32.03 O ATOM 747 OE2 GLU B 3 31.246 24.385 -6.882 1.00 32.86 O ATOM 748 N GLN B 4 31.192 18.203 -4.124 1.00 27.47 N ATOM 749 CA GLN B 4 30.587 17.156 -3.315 1.00 27.31 C ATOM 750 C GLN B 4 29.207 17.583 -2.916 1.00 26.35 C ATOM 751 O GLN B 4 29.030 18.678 -2.395 1.00 27.31 O ATOM 752 CB GLN B 4 31.390 16.898 -2.042 1.00 27.77 C ATOM 753 CG GLN B 4 30.836 15.757 -1.191 1.00 26.75 C ATOM 754 CD GLN B 4 31.562 15.622 0.125 1.00 27.61 C ATOM 755 OE1 GLN B 4 31.920 16.624 0.765 1.00 27.74 O ATOM 756 NE2 GLN B 4 31.779 14.378 0.549 1.00 27.57 N ATOM 757 N ARG B 5 28.231 16.723 -3.174 1.00 26.38 N ATOM 758 CA ARG B 5 26.881 16.901 -2.647 1.00 26.30 C ATOM 759 C ARG B 5 26.631 15.761 -1.690 1.00 26.03 C ATOM 760 O ARG B 5 26.459 14.612 -2.113 1.00 27.01 O ATOM 761 CB ARG B 5 25.841 16.896 -3.767 1.00 24.93 C ATOM 762 CG ARG B 5 24.409 16.870 -3.284 1.00 24.99 C ATOM 763 CD ARG B 5 23.479 17.454 -4.317 1.00 26.48 C ATOM 764 NE ARG B 5 23.251 18.891 -4.140 1.00 26.38 N ATOM 765 CZ ARG B 5 22.941 19.741 -5.122 1.00 28.82 C ATOM 766 NH1 ARG B 5 22.833 19.339 -6.381 1.00 30.68 N ATOM 767 NH2 ARG B 5 22.739 21.019 -4.856 1.00 29.95 N ATOM 768 N VAL B 6 26.635 16.072 -0.401 1.00 24.75 N ATOM 769 CA VAL B 6 26.472 15.035 0.604 1.00 25.88 C ATOM 770 C VAL B 6 25.046 14.479 0.536 1.00 28.20 C ATOM 771 O VAL B 6 24.153 15.111 -0.025 1.00 28.35 O ATOM 772 CB VAL B 6 26.849 15.525 2.037 1.00 22.62 C ATOM 773 CG1 VAL B 6 28.358 15.671 2.165 1.00 19.33 C ATOM 774 CG2 VAL B 6 26.146 16.823 2.392 1.00 19.83 C ATOM 775 N ASN B 7 24.852 13.283 1.089 1.00 31.34 N ATOM 776 CA ASN B 7 23.549 12.600 1.073 1.00 32.46 C ATOM 777 C ASN B 7 22.420 13.365 1.747 1.00 33.03 C ATOM 778 O ASN B 7 21.268 13.334 1.295 1.00 33.42 O ATOM 779 CB ASN B 7 23.679 11.251 1.762 1.00 35.71 C ATOM 780 CG ASN B 7 24.691 10.361 1.094 1.00 37.48 C ATOM 781 OD1 ASN B 7 25.375 9.589 1.761 1.00 39.68 O ATOM 782 ND2 ASN B 7 24.807 10.474 -0.228 1.00 37.45 N ATOM 783 N SER B 8 22.760 14.044 2.836 1.00 33.18 N ATOM 784 CA SER B 8 21.808 14.878 3.550 1.00 32.92 C ATOM 785 C SER B 8 21.308 16.039 2.708 1.00 32.55 C ATOM 786 O SER B 8 20.283 16.622 3.028 1.00 35.86 O ATOM 787 CB SER B 8 22.438 15.413 4.834 1.00 33.71 C ATOM 788 OG SER B 8 23.624 16.128 4.542 1.00 34.94 O ATOM 789 N ASP B 9 22.020 16.362 1.633 1.00 31.64 N ATOM 790 CA ASP B 9 21.700 17.513 0.789 1.00 31.07 C ATOM 791 C ASP B 9 21.127 17.115 -0.588 1.00 28.06 C ATOM 792 O ASP B 9 20.900 17.975 -1.435 1.00 27.42 O ATOM 793 CB ASP B 9 22.974 18.352 0.622 1.00 35.95 C ATOM 794 CG ASP B 9 22.706 19.838 0.556 1.00 40.43 C ATOM 795 OD1 ASP B 9 21.924 20.363 1.397 1.00 45.49 O ATOM 796 OD2 ASP B 9 23.311 20.482 -0.335 1.00 43.50 O ATOM 797 N VAL B 10 20.901 15.818 -0.805 1.00 25.05 N ATOM 798 CA VAL B 10 20.189 15.333 -1.991 1.00 24.08 C ATOM 799 C VAL B 10 18.675 15.607 -1.930 1.00 24.00 C ATOM 800 O VAL B 10 18.067 16.021 -2.920 1.00 24.45 O ATOM 801 CB VAL B 10 20.429 13.833 -2.213 1.00 19.72 C ATOM 802 CG1 VAL B 10 19.517 13.308 -3.286 1.00 17.16 C ATOM 803 CG2 VAL B 10 21.857 13.608 -2.617 1.00 19.15 C ATOM 804 N LEU B 11 18.068 15.355 -0.777 1.00 24.96 N ATOM 805 CA LEU B 11 16.661 15.698 -0.558 1.00 25.04 C ATOM 806 C LEU B 11 16.586 16.920 0.369 1.00 24.32 C ATOM 807 O LEU B 11 16.832 16.817 1.568 1.00 23.11 O ATOM 808 CB LEU B 11 15.901 14.489 0.020 1.00 24.64 C ATOM 809 CG LEU B 11 16.012 13.200 -0.816 1.00 24.60 C ATOM 810 CD1 LEU B 11 15.512 11.947 -0.094 1.00 24.76 C ATOM 811 CD2 LEU B 11 15.267 13.378 -2.104 1.00 25.88 C ATOM 812 N THR B 12 16.271 18.080 -0.196 1.00 25.16 N ATOM 813 CA THR B 12 16.285 19.330 0.565 1.00 26.07 C ATOM 814 C THR B 12 14.990 20.101 0.411 1.00 25.94 C ATOM 815 O THR B 12 14.292 19.965 -0.584 1.00 26.76 O ATOM 816 CB THR B 12 17.425 20.274 0.118 1.00 27.94 C ATOM 817 OG1 THR B 12 17.256 20.611 -1.268 1.00 28.52 O ATOM 818 CG2 THR B 12 18.798 19.635 0.332 1.00 28.44 C ATOM 819 N VAL B 13 14.717 20.947 1.400 1.00 26.10 N ATOM 820 CA VAL B 13 13.472 21.701 1.510 1.00 25.21 C ATOM 821 C VAL B 13 13.781 23.199 1.719 1.00 24.65 C ATOM 822 O VAL B 13 14.665 23.545 2.474 1.00 27.15 O ATOM 823 CB VAL B 13 12.658 21.162 2.688 1.00 24.61 C ATOM 824 CG1 VAL B 13 11.344 21.887 2.819 1.00 26.83 C ATOM 825 CG2 VAL B 13 12.413 19.682 2.494 1.00 26.41 C ATOM 826 N SER B 14 13.061 24.079 1.036 1.00 23.07 N ATOM 827 CA SER B 14 13.269 25.509 1.174 1.00 23.82 C ATOM 828 C SER B 14 12.855 26.024 2.543 1.00 23.83 C ATOM 829 O SER B 14 11.747 25.798 2.988 1.00 26.46 O ATOM 830 CB SER B 14 12.474 26.245 0.111 1.00 22.91 C ATOM 831 OG SER B 14 12.905 25.816 -1.159 1.00 23.74 O ATOM 832 N THR B 15 13.756 26.734 3.200 1.00 25.06 N ATOM 833 CA THR B 15 13.486 27.293 4.506 1.00 27.66 C ATOM 834 C THR B 15 13.860 28.773 4.501 1.00 28.83 C ATOM 835 O THR B 15 14.506 29.253 3.568 1.00 28.53 O ATOM 836 CB THR B 15 14.290 26.548 5.598 1.00 28.75 C ATOM 837 OG1 THR B 15 15.675 26.889 5.501 1.00 28.69 O ATOM 838 CG2 THR B 15 14.156 25.047 5.440 1.00 29.42 C ATOM 839 N VAL B 16 13.439 29.482 5.545 1.00 30.57 N ATOM 840 CA VAL B 16 13.782 30.888 5.741 1.00 31.19 C ATOM 841 C VAL B 16 14.654 30.995 6.986 1.00 32.70 C ATOM 842 O VAL B 16 14.283 30.498 8.057 1.00 32.31 O ATOM 843 CB VAL B 16 12.519 31.755 5.917 1.00 30.28 C ATOM 844 CG1 VAL B 16 12.893 33.216 6.220 1.00 29.53 C ATOM 845 CG2 VAL B 16 11.647 31.665 4.674 1.00 28.19 C ATOM 846 N ASN B 17 15.814 31.638 6.842 1.00 35.53 N ATOM 847 CA ASN B 17 16.783 31.748 7.948 1.00 37.21 C ATOM 848 C ASN B 17 16.651 33.041 8.754 1.00 38.25 C ATOM 849 O ASN B 17 15.873 33.931 8.397 1.00 39.16 O ATOM 850 CB ASN B 17 18.225 31.560 7.441 1.00 36.91 C ATOM 851 CG ASN B 17 18.736 32.736 6.640 1.00 36.25 C ATOM 852 OD1 ASN B 17 18.001 33.685 6.350 1.00 36.33 O ATOM 853 ND2 ASN B 17 20.013 32.675 6.270 1.00 36.30 N ATOM 854 N SER B 18 17.429 33.139 9.831 1.00 39.59 N ATOM 855 CA SER B 18 17.369 34.296 10.728 1.00 41.15 C ATOM 856 C SER B 18 17.613 35.660 10.041 1.00 41.87 C ATOM 857 O SER B 18 17.359 36.693 10.653 1.00 42.48 O ATOM 858 CB SER B 18 18.311 34.104 11.936 1.00 42.09 C ATOM 859 OG SER B 18 19.633 33.749 11.551 1.00 43.30 O ATOM 860 N GLN B 19 18.081 35.667 8.786 1.00 42.83 N ATOM 861 CA GLN B 19 18.177 36.907 7.986 1.00 43.57 C ATOM 862 C GLN B 19 17.088 37.023 6.921 1.00 42.09 C ATOM 863 O GLN B 19 17.240 37.784 5.972 1.00 40.08 O ATOM 864 CB GLN B 19 19.545 37.015 7.292 1.00 45.86 C ATOM 865 CG GLN B 19 20.685 37.384 8.214 1.00 48.28 C ATOM 866 CD GLN B 19 21.009 36.282 9.195 1.00 50.25 C ATOM 867 OE1 GLN B 19 21.019 35.101 8.837 1.00 51.64 O ATOM 868 NE2 GLN B 19 21.272 36.658 10.446 1.00 52.20 N ATOM 869 N ASP B 20 15.999 36.275 7.070 1.00 42.87 N ATOM 870 CA ASP B 20 14.918 36.269 6.076 1.00 44.30 C ATOM 871 C ASP B 20 15.425 35.942 4.667 1.00 42.57 C ATOM 872 O ASP B 20 14.997 36.553 3.679 1.00 41.71 O ATOM 873 CB ASP B 20 14.155 37.616 6.078 1.00 48.27 C ATOM 874 CG ASP B 20 12.992 37.641 7.076 1.00 51.01 C ATOM 875 OD1 ASP B 20 12.108 36.750 6.991 1.00 52.21 O ATOM 876 OD2 ASP B 20 12.955 38.565 7.927 1.00 52.61 O ATOM 877 N GLN B 21 16.337 34.977 4.586 1.00 40.40 N ATOM 878 CA GLN B 21 16.909 34.556 3.312 1.00 39.58 C ATOM 879 C GLN B 21 16.512 33.102 3.055 1.00 38.76 C ATOM 880 O GLN B 21 16.398 32.306 3.996 1.00 39.63 O ATOM 881 CB GLN B 21 18.432 34.711 3.345 1.00 39.53 C ATOM 882 CG GLN B 21 19.003 35.526 2.194 1.00 41.09 C ATOM 883 CD GLN B 21 18.556 36.988 2.201 1.00 43.19 C ATOM 884 OE1 GLN B 21 18.072 37.507 3.211 1.00 45.00 O ATOM 885 NE2 GLN B 21 18.729 37.660 1.071 1.00 43.96 N ATOM 886 N VAL B 22 16.294 32.755 1.791 1.00 36.06 N ATOM 887 CA VAL B 22 15.807 31.422 1.456 1.00 35.30 C ATOM 888 C VAL B 22 16.975 30.458 1.263 1.00 35.48 C ATOM 889 O VAL B 22 17.866 30.715 0.451 1.00 35.59 O ATOM 890 CB VAL B 22 14.937 31.425 0.187 1.00 32.90 C ATOM 891 CG1 VAL B 22 14.274 30.067 0.012 1.00 30.72 C ATOM 892 CG2 VAL B 22 13.889 32.544 0.245 1.00 31.15 C ATOM 893 N THR B 23 16.972 29.355 2.012 1.00 35.14 N ATOM 894 CA THR B 23 18.009 28.334 1.868 1.00 35.16 C ATOM 895 C THR B 23 17.437 26.935 1.903 1.00 33.90 C ATOM 896 O THR B 23 16.333 26.727 2.385 1.00 32.76 O ATOM 897 CB THR B 23 19.096 28.447 2.951 1.00 35.73 C ATOM 898 OG1 THR B 23 18.489 28.579 4.242 1.00 34.85 O ATOM 899 CG2 THR B 23 19.987 29.645 2.671 1.00 37.64 C ATOM 900 N GLN B 24 18.220 25.992 1.387 1.00 34.16 N ATOM 901 CA GLN B 24 17.829 24.593 1.282 1.00 34.96 C ATOM 902 C GLN B 24 18.391 23.802 2.452 1.00 34.07 C ATOM 903 O GLN B 24 19.606 23.666 2.569 1.00 37.64 O ATOM 904 CB GLN B 24 18.371 23.991 -0.026 1.00 36.20 C ATOM 905 CG GLN B 24 17.724 24.512 -1.300 1.00 36.01 C ATOM 906 CD GLN B 24 16.260 24.118 -1.434 1.00 37.08 C ATOM 907 OE1 GLN B 24 15.400 24.976 -1.607 1.00 39.12 O ATOM 908 NE2 GLN B 24 15.971 22.818 -1.349 1.00 36.55 N ATOM 909 N LYS B 25 17.522 23.270 3.303 1.00 32.19 N ATOM 910 CA LYS B 25 17.963 22.413 4.400 1.00 33.72 C ATOM 911 C LYS B 25 17.490 20.968 4.201 1.00 31.28 C ATOM 912 O LYS B 25 16.465 20.738 3.570 1.00 30.95 O ATOM 913 CB LYS B 25 17.536 23.002 5.751 1.00 36.46 C ATOM 914 CG LYS B 25 18.514 24.118 6.233 1.00 38.66 C ATOM 915 CD LYS B 25 17.868 25.191 7.152 1.00 39.03 C ATOM 916 CE LYS B 25 18.696 26.522 7.171 1.00 39.45 C ATOM 917 NZ LYS B 25 17.978 27.709 7.795 1.00 38.82 N ATOM 918 N PRO B 26 18.273 19.985 4.689 1.00 29.46 N ATOM 919 CA PRO B 26 17.981 18.556 4.578 1.00 28.99 C ATOM 920 C PRO B 26 16.569 18.138 4.963 1.00 28.52 C ATOM 921 O PRO B 26 15.953 18.724 5.851 1.00 30.77 O ATOM 922 CB PRO B 26 18.964 17.937 5.571 1.00 28.32 C ATOM 923 CG PRO B 26 20.119 18.803 5.491 1.00 29.41 C ATOM 924 CD PRO B 26 19.557 20.193 5.376 1.00 29.68 C ATOM 925 N LEU B 27 16.071 17.100 4.311 1.00 27.07 N ATOM 926 CA LEU B 27 14.791 16.537 4.696 1.00 26.04 C ATOM 927 C LEU B 27 14.910 15.964 6.099 1.00 25.36 C ATOM 928 O LEU B 27 13.944 16.002 6.845 1.00 25.12 O ATOM 929 CB LEU B 27 14.354 15.451 3.711 1.00 24.68 C ATOM 930 CG LEU B 27 12.947 14.893 3.896 1.00 23.08 C ATOM 931 CD1 LEU B 27 11.912 16.006 3.870 1.00 21.57 C ATOM 932 CD2 LEU B 27 12.689 13.873 2.808 1.00 22.01 C ATOM 933 N ARG B 28 16.085 15.419 6.435 1.00 26.41 N ATOM 934 CA ARG B 28 16.400 14.979 7.800 1.00 28.70 C ATOM 935 C ARG B 28 15.840 15.933 8.835 1.00 28.20 C ATOM 936 O ARG B 28 15.167 15.515 9.786 1.00 26.38 O ATOM 937 CB ARG B 28 17.908 14.981 8.031 1.00 30.78 C ATOM 938 CG ARG B 28 18.687 13.800 7.506 1.00 33.27 C ATOM 939 CD ARG B 28 20.166 14.180 7.524 1.00 35.75 C ATOM 940 NE ARG B 28 21.060 13.055 7.772 1.00 37.86 N ATOM 941 CZ ARG B 28 21.507 12.217 6.842 1.00 39.99 C ATOM 942 NH1 ARG B 28 21.138 12.346 5.572 1.00 40.18 N ATOM 943 NH2 ARG B 28 22.330 11.231 7.188 1.00 41.65 N ATOM 944 N ASP B 29 16.162 17.216 8.649 1.00 28.41 N ATOM 945 CA ASP B 29 15.862 18.246 9.635 1.00 27.63 C ATOM 946 C ASP B 29 14.357 18.442 9.765 1.00 26.03 C ATOM 947 O ASP B 29 13.859 18.674 10.869 1.00 27.24 O ATOM 948 CB ASP B 29 16.595 19.556 9.300 1.00 29.96 C ATOM 949 CG ASP B 29 18.128 19.437 9.459 1.00 33.50 C ATOM 950 OD1 ASP B 29 18.595 18.462 10.097 1.00 36.67 O ATOM 951 OD2 ASP B 29 18.880 20.314 8.955 1.00 34.96 O ATOM 952 N SER B 30 13.635 18.311 8.654 1.00 23.30 N ATOM 953 CA SER B 30 12.177 18.362 8.675 1.00 23.97 C ATOM 954 C SER B 30 11.595 17.218 9.475 1.00 24.16 C ATOM 955 O SER B 30 10.619 17.399 10.204 1.00 24.53 O ATOM 956 CB SER B 30 11.613 18.312 7.260 1.00 24.64 C ATOM 957 OG SER B 30 12.078 19.415 6.500 1.00 26.39 O ATOM 958 N VAL B 31 12.193 16.037 9.325 1.00 25.92 N ATOM 959 CA VAL B 31 11.790 14.858 10.087 1.00 25.77 C ATOM 960 C VAL B 31 12.114 15.057 11.556 1.00 25.68 C ATOM 961 O VAL B 31 11.300 14.722 12.398 1.00 25.27 O ATOM 962 CB VAL B 31 12.444 13.557 9.553 1.00 24.40 C ATOM 963 CG1 VAL B 31 12.006 12.353 10.367 1.00 22.32 C ATOM 964 CG2 VAL B 31 12.082 13.351 8.091 1.00 23.71 C ATOM 965 N LYS B 32 13.279 15.625 11.868 1.00 29.63 N ATOM 966 CA LYS B 32 13.614 15.945 13.269 1.00 34.04 C ATOM 967 C LYS B 32 12.583 16.876 13.878 1.00 34.99 C ATOM 968 O LYS B 32 12.057 16.613 14.960 1.00 37.07 O ATOM 969 CB LYS B 32 14.996 16.599 13.416 1.00 36.81 C ATOM 970 CG LYS B 32 16.152 15.628 13.401 1.00 39.22 C ATOM 971 CD LYS B 32 17.357 16.118 14.216 1.00 40.32 C ATOM 972 CE LYS B 32 18.501 15.054 14.214 1.00 42.06 C ATOM 973 NZ LYS B 32 19.341 15.027 15.476 1.00 41.88 N ATOM 974 N GLN B 33 12.292 17.962 13.175 1.00 34.67 N ATOM 975 CA GLN B 33 11.429 18.986 13.726 1.00 35.76 C ATOM 976 C GLN B 33 10.038 18.427 13.981 1.00 31.37 C ATOM 977 O GLN B 33 9.493 18.613 15.066 1.00 29.54 O ATOM 978 CB GLN B 33 11.371 20.207 12.808 1.00 39.47 C ATOM 979 CG GLN B 33 11.223 21.534 13.562 1.00 42.36 C ATOM 980 CD GLN B 33 10.310 22.511 12.831 1.00 44.96 C ATOM 981 OE1 GLN B 33 9.373 23.059 13.434 1.00 50.53 O ATOM 982 NE2 GLN B 33 10.554 22.713 11.522 1.00 45.88 N ATOM 983 N ALA B 34 9.486 17.726 12.991 1.00 29.48 N ATOM 984 CA ALA B 34 8.176 17.060 13.128 1.00 29.61 C ATOM 985 C ALA B 34 8.094 16.193 14.386 1.00 28.88 C ATOM 986 O ALA B 34 7.059 16.167 15.052 1.00 28.29 O ATOM 987 CB ALA B 34 7.862 16.209 11.893 1.00 28.63 C ATOM 988 N LEU B 35 9.191 15.496 14.697 1.00 27.83 N ATOM 989 CA LEU B 35 9.280 14.631 15.871 1.00 26.96 C ATOM 990 C LEU B 35 9.473 15.418 17.180 1.00 26.67 C ATOM 991 O LEU B 35 8.856 15.099 18.190 1.00 24.95 O ATOM 992 CB LEU B 35 10.408 13.613 15.683 1.00 24.63 C ATOM 993 CG LEU B 35 10.154 12.470 14.696 1.00 23.68 C ATOM 994 CD1 LEU B 35 11.440 11.713 14.375 1.00 23.07 C ATOM 995 CD2 LEU B 35 9.120 11.517 15.239 1.00 23.01 C ATOM 996 N LYS B 36 10.324 16.439 17.171 1.00 29.16 N ATOM 997 CA LYS B 36 10.443 17.323 18.336 1.00 33.20 C ATOM 998 C LYS B 36 9.067 17.853 18.744 1.00 33.60 C ATOM 999 O LYS B 36 8.723 17.889 19.930 1.00 31.67 O ATOM 1000 CB LYS B 36 11.409 18.490 18.057 1.00 35.29 C ATOM 1001 CG LYS B 36 12.879 18.129 18.313 1.00 37.81 C ATOM 1002 CD LYS B 36 13.865 19.265 17.966 1.00 38.56 C ATOM 1003 CE LYS B 36 15.344 18.847 18.180 1.00 38.46 C ATOM 1004 NZ LYS B 36 16.280 19.573 17.258 1.00 38.31 N ATOM 1005 N ASN B 37 8.293 18.246 17.736 1.00 35.76 N ATOM 1006 CA ASN B 37 6.953 18.771 17.919 1.00 35.42 C ATOM 1007 C ASN B 37 5.976 17.697 18.393 1.00 35.44 C ATOM 1008 O ASN B 37 5.155 17.934 19.277 1.00 34.82 O ATOM 1009 CB ASN B 37 6.466 19.368 16.600 1.00 38.50 C ATOM 1010 CG ASN B 37 5.162 20.136 16.748 1.00 41.79 C ATOM 1011 OD1 ASN B 37 5.083 21.123 17.488 1.00 47.84 O ATOM 1012 ND2 ASN B 37 4.132 19.694 16.035 1.00 44.92 N ATOM 1013 N TYR B 38 6.064 16.518 17.787 1.00 35.46 N ATOM 1014 CA TYR B 38 5.237 15.378 18.173 1.00 34.16 C ATOM 1015 C TYR B 38 5.457 15.006 19.632 1.00 34.15 C ATOM 1016 O TYR B 38 4.514 14.629 20.307 1.00 35.78 O ATOM 1017 CB TYR B 38 5.537 14.181 17.273 1.00 32.73 C ATOM 1018 CG TYR B 38 4.836 12.903 17.666 1.00 33.20 C ATOM 1019 CD1 TYR B 38 5.528 11.866 18.287 1.00 33.28 C ATOM 1020 CD2 TYR B 38 3.481 12.721 17.415 1.00 32.97 C ATOM 1021 CE1 TYR B 38 4.887 10.687 18.651 1.00 32.78 C ATOM 1022 CE2 TYR B 38 2.833 11.541 17.776 1.00 32.34 C ATOM 1023 CZ TYR B 38 3.543 10.533 18.391 1.00 32.04 C ATOM 1024 OH TYR B 38 2.917 9.369 18.754 1.00 32.37 O ATOM 1025 N PHE B 39 6.690 15.116 20.122 1.00 35.04 N ATOM 1026 CA PHE B 39 6.967 14.826 21.531 1.00 37.18 C ATOM 1027 C PHE B 39 6.445 15.922 22.468 1.00 40.11 C ATOM 1028 O PHE B 39 5.996 15.623 23.572 1.00 41.35 O ATOM 1029 CB PHE B 39 8.463 14.594 21.777 1.00 34.45 C ATOM 1030 CG PHE B 39 9.018 13.375 21.090 1.00 34.04 C ATOM 1031 CD1 PHE B 39 8.353 12.155 21.136 1.00 34.79 C ATOM 1032 CD2 PHE B 39 10.224 13.438 20.412 1.00 34.24 C ATOM 1033 CE1 PHE B 39 8.879 11.022 20.500 1.00 33.99 C ATOM 1034 CE2 PHE B 39 10.748 12.310 19.778 1.00 34.01 C ATOM 1035 CZ PHE B 39 10.073 11.105 19.825 1.00 33.69 C ATOM 1036 N ALA B 40 6.490 17.181 22.035 1.00 43.38 N ATOM 1037 CA ALA B 40 5.930 18.286 22.823 1.00 45.96 C ATOM 1038 C ALA B 40 4.462 18.050 23.197 1.00 48.93 C ATOM 1039 O ALA B 40 4.088 18.216 24.360 1.00 48.72 O ATOM 1040 CB ALA B 40 6.071 19.590 22.073 1.00 45.44 C ATOM 1041 N GLN B 41 3.648 17.655 22.213 1.00 53.00 N ATOM 1042 CA GLN B 41 2.227 17.309 22.439 1.00 57.00 C ATOM 1043 C GLN B 41 2.034 15.996 23.213 1.00 59.51 C ATOM 1044 O GLN B 41 0.929 15.677 23.657 1.00 59.15 O ATOM 1045 CB GLN B 41 1.458 17.222 21.107 1.00 59.38 C ATOM 1046 CG GLN B 41 0.772 18.517 20.684 1.00 61.67 C ATOM 1047 CD GLN B 41 1.754 19.637 20.374 1.00 63.99 C ATOM 1048 OE1 GLN B 41 2.770 19.425 19.702 1.00 65.63 O ATOM 1049 NE2 GLN B 41 1.444 20.846 20.852 1.00 64.85 N ATOM 1050 N LEU B 42 3.112 15.235 23.351 1.00 62.47 N ATOM 1051 CA LEU B 42 3.089 13.964 24.038 1.00 64.35 C ATOM 1052 C LEU B 42 3.598 14.176 25.468 1.00 66.92 C ATOM 1053 O LEU B 42 4.698 13.739 25.817 1.00 69.24 O ATOM 1054 CB LEU B 42 3.978 12.981 23.277 1.00 64.23 C ATOM 1055 CG LEU B 42 3.711 11.499 23.491 1.00 63.89 C ATOM 1056 CD1 LEU B 42 2.455 11.073 22.733 1.00 63.71 C ATOM 1057 CD2 LEU B 42 4.922 10.704 23.044 1.00 63.92 C ATOM 1058 N AASN B 43 2.812 14.868 26.290 0.50 67.24 N ATOM 1059 N BASN B 43 2.775 14.836 26.278 0.50 67.31 N ATOM 1060 CA AASN B 43 3.186 15.117 27.686 0.50 67.65 C ATOM 1061 CA BASN B 43 3.113 15.152 27.664 0.50 67.57 C ATOM 1062 C AASN B 43 2.121 14.541 28.632 0.50 69.15 C ATOM 1063 C BASN B 43 2.090 14.540 28.634 0.50 69.13 C ATOM 1064 O AASN B 43 1.205 15.253 29.047 0.50 70.11 O ATOM 1065 O BASN B 43 1.170 15.230 29.078 0.50 70.04 O ATOM 1066 CB AASN B 43 3.401 16.621 27.933 0.50 67.55 C ATOM 1067 CB BASN B 43 3.236 16.679 27.866 0.50 67.63 C ATOM 1068 CG AASN B 43 4.078 16.917 29.276 0.50 66.70 C ATOM 1069 CG BASN B 43 2.050 17.466 27.298 0.50 66.76 C ATOM 1070 OD1AASN B 43 3.755 17.902 29.935 0.50 65.72 O ATOM 1071 OD1BASN B 43 1.205 16.926 26.585 0.50 65.80 O ATOM 1072 ND2AASN B 43 5.023 16.071 29.674 0.50 65.62 N ATOM 1073 ND2BASN B 43 1.995 18.752 27.619 0.50 66.61 N ATOM 1074 N GLY B 44 2.226 13.254 28.970 1.00 69.65 N ATOM 1075 CA GLY B 44 3.302 12.365 28.490 1.00 69.76 C ATOM 1076 C GLY B 44 2.754 10.986 28.187 1.00 70.24 C ATOM 1077 O GLY B 44 3.223 9.985 28.732 1.00 70.26 O ATOM 1078 N GLN B 45 1.751 10.958 27.309 1.00 70.25 N ATOM 1079 CA GLN B 45 1.085 9.732 26.849 1.00 68.64 C ATOM 1080 C GLN B 45 2.088 8.739 26.239 1.00 67.37 C ATOM 1081 O GLN B 45 3.150 9.147 25.757 1.00 67.54 O ATOM 1082 CB GLN B 45 -0.005 10.124 25.831 1.00 70.26 C ATOM 1083 CG GLN B 45 -0.642 8.994 25.030 1.00 72.06 C ATOM 1084 CD GLN B 45 -1.311 7.929 25.887 1.00 74.42 C ATOM 1085 OE1 GLN B 45 -1.431 6.773 25.467 1.00 76.12 O ATOM 1086 NE2 GLN B 45 -1.750 8.308 27.087 1.00 74.94 N ATOM 1087 N ASP B 46 1.765 7.442 26.284 1.00 64.50 N ATOM 1088 CA ASP B 46 2.623 6.414 25.675 1.00 62.71 C ATOM 1089 C ASP B 46 2.312 6.185 24.186 1.00 61.12 C ATOM 1090 O ASP B 46 1.187 6.409 23.725 1.00 61.59 O ATOM 1091 CB ASP B 46 2.583 5.086 26.472 1.00 63.27 C ATOM 1092 CG ASP B 46 1.354 4.236 26.170 1.00 62.81 C ATOM 1093 OD1 ASP B 46 0.254 4.603 26.625 1.00 63.33 O ATOM 1094 OD2 ASP B 46 1.495 3.184 25.506 1.00 61.11 O ATOM 1095 N VAL B 47 3.333 5.734 23.456 1.00 57.80 N ATOM 1096 CA VAL B 47 3.256 5.465 22.020 1.00 54.19 C ATOM 1097 C VAL B 47 3.625 4.009 21.758 1.00 50.01 C ATOM 1098 O VAL B 47 4.335 3.399 22.550 1.00 50.08 O ATOM 1099 CB VAL B 47 4.246 6.365 21.251 1.00 55.14 C ATOM 1100 CG1 VAL B 47 3.893 6.419 19.759 1.00 55.92 C ATOM 1101 CG2 VAL B 47 4.266 7.760 21.851 1.00 54.57 C ATOM 1102 N ASN B 48 3.145 3.449 20.654 1.00 47.16 N ATOM 1103 CA ASN B 48 3.524 2.078 20.267 1.00 45.30 C ATOM 1104 C ASN B 48 3.401 1.807 18.764 1.00 42.95 C ATOM 1105 O ASN B 48 3.153 0.668 18.359 1.00 43.92 O ATOM 1106 CB ASN B 48 2.680 1.053 21.041 1.00 47.02 C ATOM 1107 CG ASN B 48 1.229 1.016 20.573 1.00 48.63 C ATOM 1108 OD1 ASN B 48 0.694 2.009 20.074 1.00 50.43 O ATOM 1109 ND2 ASN B 48 0.593 -0.133 20.724 1.00 50.12 N ATOM 1110 N ASP B 49 3.580 2.855 17.958 1.00 38.70 N ATOM 1111 CA AASP B 49 3.447 2.737 16.500 0.50 36.77 C ATOM 1112 CA BASP B 49 3.378 2.797 16.517 0.50 36.82 C ATOM 1113 C ASP B 49 4.267 3.804 15.781 1.00 34.31 C ATOM 1114 O ASP B 49 4.024 4.114 14.618 1.00 33.71 O ATOM 1115 CB AASP B 49 1.965 2.835 16.084 0.50 36.79 C ATOM 1116 CB BASP B 49 1.903 3.106 16.214 0.50 36.94 C ATOM 1117 CG AASP B 49 1.306 1.471 15.909 0.50 36.64 C ATOM 1118 CG BASP B 49 1.441 4.441 16.817 0.50 36.89 C ATOM 1119 OD1AASP B 49 1.822 0.651 15.111 0.50 35.81 O ATOM 1120 OD1BASP B 49 1.666 4.668 18.028 0.50 35.03 O ATOM 1121 OD2AASP B 49 0.261 1.231 16.553 0.50 35.66 O ATOM 1122 OD2BASP B 49 0.851 5.265 16.081 0.50 37.33 O ATOM 1123 N LEU B 50 5.283 4.325 16.456 1.00 30.86 N ATOM 1124 CA LEU B 50 5.991 5.486 15.949 1.00 29.99 C ATOM 1125 C LEU B 50 6.703 5.222 14.626 1.00 28.56 C ATOM 1126 O LEU B 50 6.799 6.121 13.774 1.00 29.88 O ATOM 1127 CB LEU B 50 6.955 6.037 17.005 1.00 28.31 C ATOM 1128 CG LEU B 50 7.538 7.422 16.716 1.00 28.91 C ATOM 1129 CD1 LEU B 50 6.453 8.427 16.345 1.00 29.39 C ATOM 1130 CD2 LEU B 50 8.342 7.907 17.895 1.00 28.36 C ATOM 1131 N TYR B 51 7.184 3.998 14.434 1.00 26.36 N ATOM 1132 CA TYR B 51 7.838 3.658 13.178 1.00 26.23 C ATOM 1133 C TYR B 51 6.802 3.640 12.066 1.00 26.54 C ATOM 1134 O TYR B 51 6.972 4.291 11.049 1.00 28.05 O ATOM 1135 CB TYR B 51 8.588 2.328 13.259 1.00 22.25 C ATOM 1136 CG TYR B 51 9.426 2.056 12.027 1.00 22.23 C ATOM 1137 CD1 TYR B 51 10.730 2.533 11.920 1.00 22.34 C ATOM 1138 CD2 TYR B 51 8.910 1.332 10.958 1.00 22.10 C ATOM 1139 CE1 TYR B 51 11.504 2.285 10.772 1.00 22.00 C ATOM 1140 CE2 TYR B 51 9.658 1.091 9.820 1.00 22.09 C ATOM 1141 CZ TYR B 51 10.955 1.564 9.733 1.00 21.24 C ATOM 1142 OH TYR B 51 11.685 1.311 8.601 1.00 20.69 O ATOM 1143 N GLU B 52 5.711 2.917 12.274 1.00 30.31 N ATOM 1144 CA GLU B 52 4.682 2.791 11.250 1.00 30.17 C ATOM 1145 C GLU B 52 4.053 4.150 10.937 1.00 29.79 C ATOM 1146 O GLU B 52 3.742 4.448 9.786 1.00 26.84 O ATOM 1147 CB GLU B 52 3.615 1.784 11.691 1.00 33.95 C ATOM 1148 CG GLU B 52 2.444 1.602 10.704 1.00 37.77 C ATOM 1149 CD GLU B 52 2.879 1.176 9.283 1.00 42.52 C ATOM 1150 OE1 GLU B 52 2.176 1.560 8.305 1.00 43.27 O ATOM 1151 OE2 GLU B 52 3.915 0.466 9.152 1.00 43.61 O ATOM 1152 N LEU B 53 3.871 4.964 11.973 1.00 31.29 N ATOM 1153 CA LEU B 53 3.311 6.310 11.838 1.00 29.87 C ATOM 1154 C LEU B 53 4.161 7.152 10.895 1.00 28.94 C ATOM 1155 O LEU B 53 3.632 7.778 9.969 1.00 29.47 O ATOM 1156 CB LEU B 53 3.265 6.984 13.202 1.00 31.70 C ATOM 1157 CG LEU B 53 2.561 8.334 13.265 1.00 32.85 C ATOM 1158 CD1 LEU B 53 1.073 8.114 13.501 1.00 34.58 C ATOM 1159 CD2 LEU B 53 3.167 9.203 14.367 1.00 33.02 C ATOM 1160 N VAL B 54 5.474 7.153 11.144 1.00 25.85 N ATOM 1161 CA VAL B 54 6.431 7.895 10.335 1.00 24.64 C ATOM 1162 C VAL B 54 6.524 7.292 8.949 1.00 23.98 C ATOM 1163 O VAL B 54 6.421 7.999 7.958 1.00 27.08 O ATOM 1164 CB VAL B 54 7.823 7.864 10.963 1.00 24.66 C ATOM 1165 CG1 VAL B 54 8.854 8.445 10.014 1.00 24.46 C ATOM 1166 CG2 VAL B 54 7.823 8.600 12.290 1.00 25.06 C ATOM 1167 N LEU B 55 6.711 5.978 8.890 1.00 23.90 N ATOM 1168 CA LEU B 55 6.823 5.251 7.624 1.00 23.15 C ATOM 1169 C LEU B 55 5.701 5.627 6.655 1.00 20.71 C ATOM 1170 O LEU B 55 5.951 5.894 5.485 1.00 18.26 O ATOM 1171 CB LEU B 55 6.826 3.731 7.876 1.00 24.82 C ATOM 1172 CG LEU B 55 7.216 2.788 6.712 1.00 25.76 C ATOM 1173 CD1 LEU B 55 8.731 2.796 6.478 1.00 23.76 C ATOM 1174 CD2 LEU B 55 6.706 1.355 6.945 1.00 24.15 C ATOM 1175 N ALA B 56 4.472 5.663 7.156 1.00 22.60 N ATOM 1176 CA ALA B 56 3.302 5.970 6.326 1.00 23.90 C ATOM 1177 C ALA B 56 3.386 7.375 5.816 1.00 24.55 C ATOM 1178 O ALA B 56 3.097 7.619 4.648 1.00 26.28 O ATOM 1179 CB ALA B 56 1.996 5.787 7.102 1.00 22.67 C ATOM 1180 N GLU B 57 3.794 8.292 6.692 1.00 25.65 N ATOM 1181 CA GLU B 57 3.894 9.710 6.338 1.00 25.90 C ATOM 1182 C GLU B 57 4.903 9.931 5.217 1.00 25.20 C ATOM 1183 O GLU B 57 4.773 10.858 4.436 1.00 27.00 O ATOM 1184 CB GLU B 57 4.277 10.546 7.564 1.00 28.01 C ATOM 1185 CG GLU B 57 4.033 12.059 7.427 1.00 29.06 C ATOM 1186 CD GLU B 57 2.558 12.465 7.513 1.00 29.99 C ATOM 1187 OE1 GLU B 57 1.682 11.590 7.721 1.00 28.20 O ATOM 1188 OE2 GLU B 57 2.281 13.679 7.378 1.00 31.39 O ATOM 1189 N VAL B 58 5.882 9.045 5.125 1.00 24.95 N ATOM 1190 CA VAL B 58 6.957 9.155 4.151 1.00 25.54 C ATOM 1191 C VAL B 58 6.724 8.303 2.892 1.00 25.90 C ATOM 1192 O VAL B 58 7.079 8.720 1.785 1.00 26.95 O ATOM 1193 CB VAL B 58 8.294 8.757 4.825 1.00 26.64 C ATOM 1194 CG1 VAL B 58 9.394 8.488 3.795 1.00 25.03 C ATOM 1195 CG2 VAL B 58 8.704 9.841 5.826 1.00 26.34 C ATOM 1196 N GLU B 59 6.147 7.117 3.047 1.00 24.30 N ATOM 1197 CA GLU B 59 5.865 6.266 1.886 1.00 23.44 C ATOM 1198 C GLU B 59 4.806 6.830 0.928 1.00 21.59 C ATOM 1199 O GLU B 59 4.992 6.757 -0.293 1.00 20.64 O ATOM 1200 CB GLU B 59 5.408 4.875 2.324 1.00 25.29 C ATOM 1201 CG GLU B 59 6.490 4.013 2.877 1.00 26.52 C ATOM 1202 CD GLU B 59 6.091 2.563 2.919 1.00 27.68 C ATOM 1203 OE1 GLU B 59 6.991 1.706 2.763 1.00 30.52 O ATOM 1204 OE2 GLU B 59 4.884 2.281 3.102 1.00 29.10 O ATOM 1205 N GLN B 60 3.697 7.344 1.475 1.00 18.97 N ATOM 1206 CA AGLN B 60 2.608 7.866 0.647 0.50 19.16 C ATOM 1207 CA BGLN B 60 2.600 7.885 0.666 0.50 20.68 C ATOM 1208 C GLN B 60 3.107 8.904 -0.369 1.00 20.00 C ATOM 1209 O GLN B 60 2.886 8.748 -1.559 1.00 20.89 O ATOM 1210 CB AGLN B 60 1.481 8.471 1.490 0.50 18.21 C ATOM 1211 CB BGLN B 60 1.500 8.462 1.588 0.50 21.97 C ATOM 1212 CG AGLN B 60 0.787 7.519 2.434 0.50 17.54 C ATOM 1213 CG BGLN B 60 0.957 9.889 1.290 0.50 23.80 C ATOM 1214 CD AGLN B 60 -0.175 8.233 3.383 0.50 16.71 C ATOM 1215 CD BGLN B 60 -0.156 9.915 0.267 0.50 24.11 C ATOM 1216 OE1AGLN B 60 -1.179 8.798 2.945 0.50 15.63 O ATOM 1217 OE1BGLN B 60 -0.096 10.660 -0.714 0.50 23.64 O ATOM 1218 NE2AGLN B 60 0.130 8.205 4.686 0.50 12.60 N ATOM 1219 NE2BGLN B 60 -1.187 9.112 0.499 0.50 23.18 N ATOM 1220 N PRO B 61 3.811 9.956 0.086 1.00 20.92 N ATOM 1221 CA PRO B 61 4.263 10.974 -0.880 1.00 20.99 C ATOM 1222 C PRO B 61 5.342 10.505 -1.859 1.00 20.42 C ATOM 1223 O PRO B 61 5.405 10.980 -2.992 1.00 20.86 O ATOM 1224 CB PRO B 61 4.851 12.076 0.018 1.00 22.47 C ATOM 1225 CG PRO B 61 4.344 11.770 1.389 1.00 23.22 C ATOM 1226 CD PRO B 61 4.258 10.295 1.449 1.00 22.69 C ATOM 1227 N LEU B 62 6.209 9.616 -1.397 1.00 19.49 N ATOM 1228 CA LEU B 62 7.223 9.001 -2.247 1.00 18.14 C ATOM 1229 C LEU B 62 6.536 8.207 -3.340 1.00 16.46 C ATOM 1230 O LEU B 62 6.895 8.305 -4.505 1.00 15.01 O ATOM 1231 CB LEU B 62 8.119 8.079 -1.404 1.00 18.17 C ATOM 1232 CG LEU B 62 9.090 7.171 -2.147 1.00 16.83 C ATOM 1233 CD1 LEU B 62 9.946 8.026 -3.064 1.00 14.23 C ATOM 1234 CD2 LEU B 62 9.927 6.359 -1.160 1.00 15.31 C ATOM 1235 N LEU B 63 5.552 7.407 -2.949 1.00 17.27 N ATOM 1236 CA LEU B 63 4.788 6.617 -3.904 1.00 18.29 C ATOM 1237 C LEU B 63 4.061 7.557 -4.837 1.00 18.89 C ATOM 1238 O LEU B 63 4.128 7.428 -6.054 1.00 19.17 O ATOM 1239 CB LEU B 63 3.782 5.717 -3.180 1.00 16.72 C ATOM 1240 CG LEU B 63 4.391 4.516 -2.456 1.00 14.17 C ATOM 1241 CD1 LEU B 63 3.382 3.953 -1.467 1.00 10.63 C ATOM 1242 CD2 LEU B 63 4.850 3.473 -3.470 1.00 12.18 C ATOM 1243 N ASP B 64 3.374 8.520 -4.236 1.00 22.41 N ATOM 1244 CA ASP B 64 2.626 9.534 -4.967 1.00 21.58 C ATOM 1245 C ASP B 64 3.523 10.125 -6.031 1.00 19.12 C ATOM 1246 O ASP B 64 3.190 10.104 -7.209 1.00 19.22 O ATOM 1247 CB ASP B 64 2.141 10.608 -3.993 1.00 25.10 C ATOM 1248 CG ASP B 64 1.012 11.426 -4.538 1.00 30.14 C ATOM 1249 OD1 ASP B 64 0.996 11.703 -5.763 1.00 33.45 O ATOM 1250 OD2 ASP B 64 0.142 11.812 -3.721 1.00 34.80 O ATOM 1251 N MET B 65 4.691 10.589 -5.618 1.00 18.42 N ATOM 1252 CA MET B 65 5.569 11.323 -6.511 1.00 21.20 C ATOM 1253 C MET B 65 6.173 10.437 -7.607 1.00 21.95 C ATOM 1254 O MET B 65 6.187 10.814 -8.778 1.00 24.44 O ATOM 1255 CB MET B 65 6.674 12.007 -5.713 1.00 24.48 C ATOM 1256 CG MET B 65 6.948 13.395 -6.167 1.00 26.46 C ATOM 1257 SD MET B 65 5.491 14.390 -5.914 1.00 30.93 S ATOM 1258 CE MET B 65 5.516 15.366 -7.436 1.00 31.88 C ATOM 1259 N VAL B 66 6.648 9.255 -7.232 1.00 20.73 N ATOM 1260 CA VAL B 66 7.269 8.336 -8.184 1.00 19.15 C ATOM 1261 C VAL B 66 6.315 7.864 -9.295 1.00 17.33 C ATOM 1262 O VAL B 66 6.728 7.673 -10.446 1.00 13.42 O ATOM 1263 CB VAL B 66 7.866 7.130 -7.450 1.00 17.93 C ATOM 1264 CG1 VAL B 66 8.246 6.035 -8.440 1.00 18.47 C ATOM 1265 CG2 VAL B 66 9.072 7.573 -6.638 1.00 16.02 C ATOM 1266 N MET B 67 5.046 7.677 -8.953 1.00 19.19 N ATOM 1267 CA MET B 67 4.059 7.239 -9.938 1.00 23.12 C ATOM 1268 C MET B 67 3.804 8.343 -10.951 1.00 24.89 C ATOM 1269 O MET B 67 3.734 8.085 -12.151 1.00 25.35 O ATOM 1270 CB MET B 67 2.743 6.847 -9.261 1.00 25.15 C ATOM 1271 CG MET B 67 2.804 5.577 -8.396 1.00 26.46 C ATOM 1272 SD MET B 67 3.555 4.125 -9.185 1.00 28.55 S ATOM 1273 CE MET B 67 2.614 3.978 -10.704 1.00 27.96 C ATOM 1274 N GLN B 68 3.672 9.575 -10.461 1.00 26.52 N ATOM 1275 CA GLN B 68 3.578 10.749 -11.330 1.00 26.70 C ATOM 1276 C GLN B 68 4.746 10.841 -12.303 1.00 25.44 C ATOM 1277 O GLN B 68 4.538 11.031 -13.507 1.00 23.46 O ATOM 1278 CB GLN B 68 3.490 12.025 -10.500 1.00 28.65 C ATOM 1279 CG GLN B 68 2.118 12.214 -9.878 1.00 30.95 C ATOM 1280 CD GLN B 68 1.926 13.564 -9.223 1.00 31.97 C ATOM 1281 OE1 GLN B 68 1.235 13.664 -8.202 1.00 35.62 O ATOM 1282 NE2 GLN B 68 2.540 14.612 -9.792 1.00 32.66 N ATOM 1283 N TYR B 69 5.963 10.697 -11.780 1.00 26.45 N ATOM 1284 CA TYR B 69 7.160 10.599 -12.621 1.00 26.50 C ATOM 1285 C TYR B 69 7.053 9.494 -13.690 1.00 25.70 C ATOM 1286 O TYR B 69 7.200 9.776 -14.872 1.00 24.63 O ATOM 1287 CB TYR B 69 8.395 10.360 -11.764 1.00 31.64 C ATOM 1288 CG TYR B 69 9.708 10.733 -12.427 1.00 32.77 C ATOM 1289 CD1 TYR B 69 10.106 12.072 -12.520 1.00 35.46 C ATOM 1290 CD2 TYR B 69 10.580 9.757 -12.926 1.00 34.19 C ATOM 1291 CE1 TYR B 69 11.337 12.442 -13.111 1.00 34.77 C ATOM 1292 CE2 TYR B 69 11.818 10.117 -13.522 1.00 34.03 C ATOM 1293 CZ TYR B 69 12.186 11.464 -13.606 1.00 34.28 C ATOM 1294 OH TYR B 69 13.386 11.848 -14.176 1.00 34.18 O ATOM 1295 N THR B 70 6.772 8.255 -13.285 1.00 22.46 N ATOM 1296 CA THR B 70 6.716 7.150 -14.229 1.00 22.51 C ATOM 1297 C THR B 70 5.409 7.134 -15.023 1.00 21.75 C ATOM 1298 O THR B 70 5.125 6.183 -15.757 1.00 19.99 O ATOM 1299 CB THR B 70 6.896 5.801 -13.514 1.00 23.80 C ATOM 1300 OG1 THR B 70 5.828 5.587 -12.581 1.00 25.12 O ATOM 1301 CG2 THR B 70 8.214 5.769 -12.781 1.00 24.41 C ATOM 1302 N ARG B 71 4.618 8.191 -14.872 1.00 23.77 N ATOM 1303 CA ARG B 71 3.306 8.331 -15.526 1.00 25.59 C ATOM 1304 C ARG B 71 2.474 7.072 -15.359 1.00 22.68 C ATOM 1305 O ARG B 71 1.919 6.568 -16.311 1.00 23.30 O ATOM 1306 CB ARG B 71 3.464 8.771 -16.995 1.00 25.90 C ATOM 1307 CG ARG B 71 4.136 10.141 -17.078 1.00 29.78 C ATOM 1308 CD ARG B 71 4.407 10.687 -18.481 1.00 33.93 C ATOM 1309 NE ARG B 71 4.983 9.702 -19.404 1.00 38.78 N ATOM 1310 CZ ARG B 71 6.230 9.207 -19.367 1.00 40.03 C ATOM 1311 NH1 ARG B 71 7.112 9.565 -18.423 1.00 38.79 N ATOM 1312 NH2 ARG B 71 6.598 8.320 -20.298 1.00 40.50 N ATOM 1313 N GLY B 72 2.412 6.580 -14.122 1.00 23.69 N ATOM 1314 CA GLY B 72 1.673 5.363 -13.764 1.00 23.65 C ATOM 1315 C GLY B 72 2.335 4.017 -14.069 1.00 24.85 C ATOM 1316 O GLY B 72 1.705 2.956 -13.874 1.00 24.39 O ATOM 1317 N ASN B 73 3.584 4.035 -14.553 1.00 23.45 N ATOM 1318 CA ASN B 73 4.287 2.795 -14.888 1.00 22.30 C ATOM 1319 C ASN B 73 4.822 2.174 -13.615 1.00 22.12 C ATOM 1320 O ASN B 73 5.772 2.688 -13.021 1.00 24.37 O ATOM 1321 CB ASN B 73 5.422 3.047 -15.885 1.00 21.81 C ATOM 1322 CG ASN B 73 5.968 1.762 -16.500 1.00 21.34 C ATOM 1323 OD1 ASN B 73 6.090 0.739 -15.829 1.00 22.65 O ATOM 1324 ND2 ASN B 73 6.308 1.818 -17.781 1.00 19.94 N ATOM 1325 N GLN B 74 4.190 1.083 -13.195 1.00 21.88 N ATOM 1326 CA GLN B 74 4.560 0.374 -11.972 1.00 23.00 C ATOM 1327 C GLN B 74 5.891 -0.359 -12.082 1.00 23.96 C ATOM 1328 O GLN B 74 6.564 -0.559 -11.073 1.00 25.05 O ATOM 1329 CB GLN B 74 3.499 -0.656 -11.609 1.00 22.76 C ATOM 1330 CG GLN B 74 2.135 -0.083 -11.378 1.00 24.31 C ATOM 1331 CD GLN B 74 1.209 -1.081 -10.749 1.00 24.75 C ATOM 1332 OE1 GLN B 74 1.354 -2.277 -10.945 1.00 29.44 O ATOM 1333 NE2 GLN B 74 0.255 -0.596 -9.977 1.00 26.81 N ATOM 1334 N THR B 75 6.252 -0.786 -13.292 1.00 24.58 N ATOM 1335 CA THR B 75 7.487 -1.531 -13.504 1.00 24.85 C ATOM 1336 C THR B 75 8.667 -0.590 -13.325 1.00 24.65 C ATOM 1337 O THR B 75 9.573 -0.886 -12.561 1.00 25.85 O ATOM 1338 CB THR B 75 7.501 -2.211 -14.889 1.00 25.09 C ATOM 1339 OG1 THR B 75 6.356 -3.057 -14.999 1.00 26.70 O ATOM 1340 CG2 THR B 75 8.737 -3.057 -15.086 1.00 24.76 C ATOM 1341 N ARG B 76 8.634 0.552 -14.001 1.00 25.96 N ATOM 1342 CA ARG B 76 9.699 1.550 -13.878 1.00 29.18 C ATOM 1343 C ARG B 76 9.747 2.150 -12.474 1.00 24.37 C ATOM 1344 O ARG B 76 10.818 2.446 -11.946 1.00 20.94 O ATOM 1345 CB ARG B 76 9.529 2.673 -14.923 1.00 34.65 C ATOM 1346 CG ARG B 76 9.684 2.203 -16.387 1.00 40.47 C ATOM 1347 CD ARG B 76 10.201 3.304 -17.343 1.00 44.44 C ATOM 1348 NE ARG B 76 9.244 4.414 -17.482 1.00 49.33 N ATOM 1349 CZ ARG B 76 9.441 5.680 -17.085 1.00 51.57 C ATOM 1350 NH1 ARG B 76 10.590 6.067 -16.519 1.00 52.06 N ATOM 1351 NH2 ARG B 76 8.473 6.585 -17.273 1.00 51.78 N ATOM 1352 N ALA B 77 8.582 2.339 -11.875 1.00 20.54 N ATOM 1353 CA ALA B 77 8.524 2.881 -10.547 1.00 20.78 C ATOM 1354 C ALA B 77 9.265 1.949 -9.593 1.00 20.66 C ATOM 1355 O ALA B 77 10.158 2.387 -8.875 1.00 21.33 O ATOM 1356 CB ALA B 77 7.097 3.071 -10.124 1.00 18.63 C ATOM 1357 N ALA B 78 8.921 0.660 -9.606 1.00 21.73 N ATOM 1358 CA ALA B 78 9.567 -0.330 -8.714 1.00 21.11 C ATOM 1359 C ALA B 78 11.056 -0.459 -9.007 1.00 20.17 C ATOM 1360 O ALA B 78 11.866 -0.652 -8.095 1.00 17.57 O ATOM 1361 CB ALA B 78 8.892 -1.693 -8.811 1.00 16.86 C ATOM 1362 N LEU B 79 11.408 -0.354 -10.284 1.00 22.67 N ATOM 1363 CA LEU B 79 12.811 -0.399 -10.693 1.00 25.53 C ATOM 1364 C LEU B 79 13.593 0.780 -10.125 1.00 29.45 C ATOM 1365 O LEU B 79 14.742 0.608 -9.698 1.00 30.92 O ATOM 1366 CB LEU B 79 12.950 -0.426 -12.219 1.00 25.17 C ATOM 1367 CG LEU B 79 12.914 -1.811 -12.868 1.00 25.25 C ATOM 1368 CD1 LEU B 79 12.782 -1.698 -14.392 1.00 23.84 C ATOM 1369 CD2 LEU B 79 14.158 -2.594 -12.469 1.00 23.78 C ATOM 1370 N MET B 80 12.973 1.967 -10.107 1.00 31.57 N ATOM 1371 CA MET B 80 13.675 3.175 -9.665 1.00 29.89 C ATOM 1372 C MET B 80 13.663 3.356 -8.157 1.00 26.76 C ATOM 1373 O MET B 80 14.586 3.940 -7.606 1.00 29.46 O ATOM 1374 CB MET B 80 13.216 4.430 -10.429 1.00 32.57 C ATOM 1375 CG MET B 80 11.944 5.140 -10.010 1.00 34.75 C ATOM 1376 SD MET B 80 11.672 6.600 -11.103 1.00 37.99 S ATOM 1377 CE MET B 80 12.577 7.893 -10.211 1.00 38.30 C ATOM 1378 N MET B 81 12.662 2.817 -7.481 1.00 23.57 N ATOM 1379 CA MET B 81 12.705 2.752 -6.030 1.00 24.16 C ATOM 1380 C MET B 81 13.614 1.625 -5.552 1.00 24.18 C ATOM 1381 O MET B 81 14.015 1.587 -4.388 1.00 25.90 O ATOM 1382 CB MET B 81 11.315 2.513 -5.483 1.00 23.61 C ATOM 1383 CG MET B 81 10.350 3.638 -5.709 1.00 23.16 C ATOM 1384 SD MET B 81 8.781 3.182 -4.970 1.00 27.23 S ATOM 1385 CE MET B 81 9.109 3.376 -3.220 1.00 22.06 C ATOM 1386 N GLY B 82 13.898 0.680 -6.441 1.00 25.28 N ATOM 1387 CA GLY B 82 14.726 -0.472 -6.110 1.00 24.20 C ATOM 1388 C GLY B 82 14.032 -1.505 -5.242 1.00 23.22 C ATOM 1389 O GLY B 82 14.677 -2.134 -4.401 1.00 25.14 O ATOM 1390 N ILE B 83 12.727 -1.694 -5.442 1.00 22.07 N ATOM 1391 CA ILE B 83 11.973 -2.730 -4.706 1.00 21.99 C ATOM 1392 C ILE B 83 11.242 -3.654 -5.682 1.00 20.88 C ATOM 1393 O ILE B 83 10.913 -3.245 -6.794 1.00 22.33 O ATOM 1394 CB ILE B 83 10.976 -2.105 -3.677 1.00 20.00 C ATOM 1395 CG1 ILE B 83 9.858 -1.319 -4.387 1.00 18.20 C ATOM 1396 CG2 ILE B 83 11.723 -1.214 -2.689 1.00 17.23 C ATOM 1397 CD1 ILE B 83 8.942 -0.598 -3.441 1.00 17.72 C ATOM 1398 N ASN B 84 10.996 -4.891 -5.276 1.00 21.38 N ATOM 1399 CA ASN B 84 10.228 -5.815 -6.120 1.00 23.98 C ATOM 1400 C ASN B 84 8.909 -5.180 -6.551 1.00 23.11 C ATOM 1401 O ASN B 84 8.283 -4.439 -5.781 1.00 23.08 O ATOM 1402 CB ASN B 84 9.945 -7.145 -5.388 1.00 26.93 C ATOM 1403 CG ASN B 84 9.426 -8.250 -6.326 1.00 27.54 C ATOM 1404 OD1 ASN B 84 8.208 -8.731 -6.069 1.00 30.14 O ATOM 1405 ND2 ASN B 84 10.129 -8.680 -7.245 1.00 29.89 N ATOM 1406 N ARG B 85 8.488 -5.481 -7.773 1.00 21.42 N ATOM 1407 CA ARG B 85 7.261 -4.908 -8.335 1.00 22.27 C ATOM 1408 C ARG B 85 6.024 -5.301 -7.508 1.00 22.07 C ATOM 1409 O ARG B 85 5.064 -4.541 -7.390 1.00 21.21 O ATOM 1410 CB ARG B 85 7.114 -5.343 -9.803 1.00 21.72 C ATOM 1411 CG ARG B 85 5.858 -4.836 -10.517 1.00 22.45 C ATOM 1412 CD ARG B 85 5.945 -5.058 -12.043 1.00 23.34 C ATOM 1413 NE ARG B 85 6.165 -6.461 -12.387 1.00 22.75 N ATOM 1414 CZ ARG B 85 5.203 -7.357 -12.598 1.00 23.89 C ATOM 1415 NH1 ARG B 85 3.923 -7.012 -12.524 1.00 24.87 N ATOM 1416 NH2 ARG B 85 5.525 -8.614 -12.895 1.00 24.47 N ATOM 1417 N GLY B 86 6.071 -6.491 -6.924 1.00 22.60 N ATOM 1418 CA GLY B 86 4.983 -6.996 -6.118 1.00 21.97 C ATOM 1419 C GLY B 86 4.815 -6.253 -4.819 1.00 22.27 C ATOM 1420 O GLY B 86 3.693 -6.102 -4.340 1.00 23.70 O ATOM 1421 N THR B 87 5.914 -5.781 -4.236 1.00 22.03 N ATOM 1422 CA THR B 87 5.790 -5.061 -2.974 1.00 22.38 C ATOM 1423 C THR B 87 5.365 -3.621 -3.251 1.00 21.64 C ATOM 1424 O THR B 87 4.715 -3.004 -2.415 1.00 19.21 O ATOM 1425 CB THR B 87 7.054 -5.148 -2.055 1.00 23.68 C ATOM 1426 OG1 THR B 87 7.704 -3.875 -1.969 1.00 24.08 O ATOM 1427 CG2 THR B 87 8.020 -6.227 -2.516 1.00 24.27 C ATOM 1428 N LEU B 88 5.710 -3.098 -4.431 1.00 21.96 N ATOM 1429 CA LEU B 88 5.211 -1.794 -4.857 1.00 21.59 C ATOM 1430 C LEU B 88 3.699 -1.843 -4.980 1.00 23.65 C ATOM 1431 O LEU B 88 2.990 -0.946 -4.506 1.00 26.77 O ATOM 1432 CB LEU B 88 5.803 -1.371 -6.194 1.00 19.94 C ATOM 1433 CG LEU B 88 5.245 -0.053 -6.753 1.00 19.76 C ATOM 1434 CD1 LEU B 88 5.600 1.110 -5.841 1.00 18.89 C ATOM 1435 CD2 LEU B 88 5.762 0.202 -8.151 1.00 18.97 C ATOM 1436 N ARG B 89 3.194 -2.891 -5.611 1.00 23.68 N ATOM 1437 CA ARG B 89 1.756 -3.006 -5.773 1.00 25.68 C ATOM 1438 C ARG B 89 1.063 -3.134 -4.419 1.00 24.80 C ATOM 1439 O ARG B 89 -0.024 -2.579 -4.209 1.00 22.92 O ATOM 1440 CB ARG B 89 1.422 -4.191 -6.661 1.00 27.77 C ATOM 1441 CG ARG B 89 1.862 -4.025 -8.117 1.00 29.65 C ATOM 1442 CD ARG B 89 1.641 -5.330 -8.864 1.00 31.76 C ATOM 1443 NE ARG B 89 0.226 -5.701 -8.835 1.00 32.80 N ATOM 1444 CZ ARG B 89 -0.667 -5.353 -9.759 1.00 34.10 C ATOM 1445 NH1 ARG B 89 -1.932 -5.736 -9.628 1.00 34.68 N ATOM 1446 NH2 ARG B 89 -0.301 -4.636 -10.820 1.00 34.46 N ATOM 1447 N LYS B 90 1.711 -3.852 -3.506 1.00 24.26 N ATOM 1448 CA LYS B 90 1.203 -4.017 -2.155 1.00 25.43 C ATOM 1449 C LYS B 90 1.112 -2.676 -1.428 1.00 24.34 C ATOM 1450 O LYS B 90 0.091 -2.372 -0.809 1.00 21.45 O ATOM 1451 CB LYS B 90 2.105 -4.970 -1.368 1.00 26.97 C ATOM 1452 CG LYS B 90 1.679 -5.208 0.076 1.00 27.28 C ATOM 1453 CD LYS B 90 2.773 -5.958 0.828 1.00 29.11 C ATOM 1454 CE LYS B 90 2.292 -6.505 2.188 1.00 30.52 C ATOM 1455 NZ LYS B 90 3.231 -7.538 2.749 1.00 30.31 N ATOM 1456 N LYS B 91 2.193 -1.899 -1.494 1.00 24.33 N ATOM 1457 CA LYS B 91 2.263 -0.589 -0.845 1.00 24.59 C ATOM 1458 C LYS B 91 1.243 0.362 -1.445 1.00 25.46 C ATOM 1459 O LYS B 91 0.562 1.085 -0.713 1.00 24.19 O ATOM 1460 CB LYS B 91 3.656 0.027 -0.994 1.00 24.60 C ATOM 1461 CG LYS B 91 4.704 -0.588 -0.087 1.00 25.90 C ATOM 1462 CD LYS B 91 6.072 0.096 -0.235 1.00 26.14 C ATOM 1463 CE LYS B 91 7.222 -0.792 0.297 1.00 26.65 C ATOM 1464 NZ LYS B 91 7.067 -1.173 1.741 1.00 26.36 N ATOM 1465 N LEU B 92 1.152 0.368 -2.775 1.00 24.26 N ATOM 1466 CA LEU B 92 0.187 1.212 -3.455 1.00 25.05 C ATOM 1467 C LEU B 92 -1.206 0.924 -2.933 1.00 26.14 C ATOM 1468 O LEU B 92 -1.945 1.846 -2.575 1.00 24.41 O ATOM 1469 CB LEU B 92 0.227 0.976 -4.961 1.00 23.71 C ATOM 1470 CG LEU B 92 1.399 1.581 -5.725 1.00 22.52 C ATOM 1471 CD1 LEU B 92 1.280 1.182 -7.201 1.00 19.08 C ATOM 1472 CD2 LEU B 92 1.470 3.103 -5.516 1.00 18.43 C ATOM 1473 N LYS B 93 -1.543 -0.365 -2.891 1.00 30.16 N ATOM 1474 CA LYS B 93 -2.829 -0.840 -2.372 1.00 30.85 C ATOM 1475 C LYS B 93 -3.069 -0.330 -0.949 1.00 29.26 C ATOM 1476 O LYS B 93 -4.117 0.236 -0.667 1.00 28.82 O ATOM 1477 CB LYS B 93 -2.891 -2.378 -2.428 1.00 34.45 C ATOM 1478 CG LYS B 93 -4.235 -3.003 -1.994 1.00 35.21 C ATOM 1479 CD LYS B 93 -4.395 -4.441 -2.525 1.00 36.33 C ATOM 1480 CE LYS B 93 -5.694 -5.118 -2.033 1.00 37.95 C ATOM 1481 NZ LYS B 93 -5.503 -6.036 -0.864 1.00 39.12 N ATOM 1482 N LYS B 94 -2.084 -0.506 -0.073 1.00 28.47 N ATOM 1483 CA LYS B 94 -2.119 0.044 1.293 1.00 29.19 C ATOM 1484 C LYS B 94 -2.584 1.492 1.373 1.00 28.03 C ATOM 1485 O LYS B 94 -3.287 1.867 2.295 1.00 30.57 O ATOM 1486 CB LYS B 94 -0.729 -0.050 1.933 1.00 29.11 C ATOM 1487 CG LYS B 94 -0.609 0.518 3.339 1.00 28.45 C ATOM 1488 CD LYS B 94 0.588 -0.100 4.041 1.00 29.48 C ATOM 1489 CE LYS B 94 0.777 0.407 5.461 1.00 30.06 C ATOM 1490 NZ LYS B 94 1.908 1.369 5.559 1.00 31.50 N ATOM 1491 N TYR B 95 -2.189 2.309 0.415 1.00 28.01 N ATOM 1492 CA TYR B 95 -2.486 3.730 0.475 1.00 29.27 C ATOM 1493 C TYR B 95 -3.569 4.166 -0.515 1.00 30.76 C ATOM 1494 O TYR B 95 -3.825 5.361 -0.674 1.00 30.99 O ATOM 1495 CB TYR B 95 -1.194 4.514 0.234 1.00 26.87 C ATOM 1496 CG TYR B 95 -0.113 4.219 1.262 1.00 26.39 C ATOM 1497 CD1 TYR B 95 -0.261 4.612 2.580 1.00 24.89 C ATOM 1498 CD2 TYR B 95 1.045 3.538 0.915 1.00 26.35 C ATOM 1499 CE1 TYR B 95 0.712 4.349 3.516 1.00 25.07 C ATOM 1500 CE2 TYR B 95 2.021 3.268 1.855 1.00 25.99 C ATOM 1501 CZ TYR B 95 1.846 3.682 3.151 1.00 24.63 C ATOM 1502 OH TYR B 95 2.807 3.427 4.091 1.00 25.42 O ATOM 1503 N GLY B 96 -4.202 3.206 -1.180 1.00 32.32 N ATOM 1504 CA GLY B 96 -5.278 3.507 -2.118 1.00 34.30 C ATOM 1505 C GLY B 96 -4.824 4.174 -3.408 1.00 36.22 C ATOM 1506 O GLY B 96 -5.525 5.032 -3.952 1.00 36.74 O ATOM 1507 N MET B 97 -3.669 3.769 -3.923 1.00 37.91 N ATOM 1508 CA MET B 97 -3.127 4.393 -5.116 1.00 41.04 C ATOM 1509 C MET B 97 -3.204 3.451 -6.316 1.00 44.79 C ATOM 1510 O MET B 97 -2.211 3.203 -6.991 1.00 47.93 O ATOM 1511 CB MET B 97 -1.685 4.837 -4.858 1.00 40.94 C ATOM 1512 CG MET B 97 -1.497 5.631 -3.565 1.00 40.39 C ATOM 1513 SD MET B 97 0.073 6.512 -3.471 1.00 38.56 S ATOM 1514 CE MET B 97 0.118 7.194 -5.124 1.00 38.07 C ATOM 1515 N ASN B 98 -4.397 2.941 -6.591 1.00 49.49 N ATOM 1516 CA ASN B 98 -4.604 1.995 -7.704 1.00 51.15 C ATOM 1517 C ASN B 98 -6.086 1.872 -8.123 1.00 53.52 C ATOM 1518 O ASN B 98 -6.674 2.796 -8.703 1.00 54.12 O ATOM 1519 CB ASN B 98 -4.057 0.609 -7.325 1.00 52.31 C ATOM 1520 CG ASN B 98 -4.735 0.033 -6.090 1.00 53.20 C ATOM 1521 OD1 ASN B 98 -5.103 0.765 -5.172 1.00 53.81 O ATOM 1522 ND2 ASN B 98 -4.913 -1.282 -6.069 1.00 54.46 N TER 1523 ASN B 98 ATOM 1524 O5' DA C 1 0.320 -5.868 -38.947 1.00 46.87 O ATOM 1525 C5' DA C 1 0.667 -6.966 -38.113 1.00 47.95 C ATOM 1526 C4' DA C 1 2.044 -6.780 -37.486 1.00 48.01 C ATOM 1527 O4' DA C 1 2.052 -5.687 -36.520 1.00 48.61 O ATOM 1528 C3' DA C 1 2.574 -7.951 -36.667 1.00 46.96 C ATOM 1529 O3' DA C 1 4.010 -7.842 -36.643 1.00 46.49 O ATOM 1530 C2' DA C 1 1.876 -7.683 -35.333 1.00 46.98 C ATOM 1531 C1' DA C 1 2.099 -6.177 -35.180 1.00 46.21 C ATOM 1532 N9 DA C 1 1.134 -5.380 -34.398 1.00 45.12 N ATOM 1533 C8 DA C 1 -0.223 -5.535 -34.292 1.00 44.30 C ATOM 1534 N7 DA C 1 -0.819 -4.638 -33.543 1.00 42.37 N ATOM 1535 C5 DA C 1 0.218 -3.827 -33.136 1.00 43.32 C ATOM 1536 C6 DA C 1 0.272 -2.682 -32.317 1.00 44.03 C ATOM 1537 N6 DA C 1 -0.787 -2.132 -31.735 1.00 44.33 N ATOM 1538 N1 DA C 1 1.472 -2.114 -32.097 1.00 44.90 N ATOM 1539 C2 DA C 1 2.558 -2.646 -32.663 1.00 45.04 C ATOM 1540 N3 DA C 1 2.633 -3.715 -33.458 1.00 45.56 N ATOM 1541 C4 DA C 1 1.422 -4.264 -33.655 1.00 44.37 C ATOM 1542 P DA C 2 4.949 -8.761 -35.736 1.00 46.16 P ATOM 1543 OP1 DA C 2 6.219 -9.014 -36.452 1.00 45.15 O ATOM 1544 OP2 DA C 2 4.121 -9.913 -35.317 1.00 46.79 O ATOM 1545 O5' DA C 2 5.270 -7.786 -34.490 1.00 45.58 O ATOM 1546 C5' DA C 2 5.863 -6.499 -34.759 1.00 45.51 C ATOM 1547 C4' DA C 2 6.784 -5.988 -33.659 1.00 45.88 C ATOM 1548 O4' DA C 2 6.041 -5.119 -32.758 1.00 46.08 O ATOM 1549 C3' DA C 2 7.458 -7.018 -32.751 1.00 45.76 C ATOM 1550 O3' DA C 2 8.754 -6.522 -32.398 1.00 45.35 O ATOM 1551 C2' DA C 2 6.475 -7.138 -31.584 1.00 45.70 C ATOM 1552 C1' DA C 2 5.846 -5.748 -31.504 1.00 44.74 C ATOM 1553 N9 DA C 2 4.409 -5.755 -31.236 1.00 44.77 N ATOM 1554 C8 DA C 2 3.481 -6.653 -31.691 1.00 44.05 C ATOM 1555 N7 DA C 2 2.267 -6.390 -31.280 1.00 44.32 N ATOM 1556 C5 DA C 2 2.409 -5.247 -30.513 1.00 43.36 C ATOM 1557 C6 DA C 2 1.496 -4.463 -29.797 1.00 42.79 C ATOM 1558 N6 DA C 2 0.193 -4.725 -29.736 1.00 42.98 N ATOM 1559 N1 DA C 2 1.968 -3.389 -29.144 1.00 43.71 N ATOM 1560 C2 DA C 2 3.268 -3.106 -29.189 1.00 44.13 C ATOM 1561 N3 DA C 2 4.219 -3.773 -29.829 1.00 44.98 N ATOM 1562 C4 DA C 2 3.720 -4.839 -30.478 1.00 44.08 C ATOM 1563 P DA C 3 9.592 -6.975 -31.106 1.00 47.69 P ATOM 1564 OP1 DA C 3 10.998 -6.650 -31.447 1.00 47.00 O ATOM 1565 OP2 DA C 3 9.217 -8.337 -30.648 1.00 47.55 O ATOM 1566 O5' DA C 3 9.066 -5.984 -29.979 1.00 45.64 O ATOM 1567 C5' DA C 3 9.135 -4.603 -30.209 1.00 45.00 C ATOM 1568 C4' DA C 3 8.865 -3.894 -28.914 1.00 44.71 C ATOM 1569 O4' DA C 3 7.445 -3.954 -28.617 1.00 43.50 O ATOM 1570 C3' DA C 3 9.566 -4.511 -27.712 1.00 45.13 C ATOM 1571 O3' DA C 3 9.981 -3.454 -26.878 1.00 48.81 O ATOM 1572 C2' DA C 3 8.490 -5.391 -27.076 1.00 43.07 C ATOM 1573 C1' DA C 3 7.253 -4.559 -27.350 1.00 40.81 C ATOM 1574 N9 DA C 3 6.023 -5.308 -27.452 1.00 39.21 N ATOM 1575 C8 DA C 3 5.826 -6.495 -28.086 1.00 39.51 C ATOM 1576 N7 DA C 3 4.591 -6.919 -28.036 1.00 39.46 N ATOM 1577 C5 DA C 3 3.944 -5.935 -27.329 1.00 38.77 C ATOM 1578 C6 DA C 3 2.611 -5.794 -26.931 1.00 39.02 C ATOM 1579 N6 DA C 3 1.679 -6.695 -27.213 1.00 38.25 N ATOM 1580 N1 DA C 3 2.281 -4.685 -26.232 1.00 40.14 N ATOM 1581 C2 DA C 3 3.229 -3.776 -25.951 1.00 40.35 C ATOM 1582 N3 DA C 3 4.526 -3.806 -26.269 1.00 40.29 N ATOM 1583 C4 DA C 3 4.812 -4.926 -26.962 1.00 39.47 C ATOM 1584 P DT C 4 10.544 -3.773 -25.421 1.00 52.51 P ATOM 1585 OP1 DT C 4 11.538 -2.706 -25.135 1.00 50.51 O ATOM 1586 OP2 DT C 4 10.867 -5.236 -25.333 1.00 50.11 O ATOM 1587 O5' DT C 4 9.266 -3.498 -24.498 1.00 52.18 O ATOM 1588 C5' DT C 4 8.743 -2.177 -24.434 1.00 51.09 C ATOM 1589 C4' DT C 4 7.557 -2.139 -23.497 1.00 49.57 C ATOM 1590 O4' DT C 4 6.545 -3.075 -23.949 1.00 50.03 O ATOM 1591 C3' DT C 4 7.893 -2.525 -22.065 1.00 47.84 C ATOM 1592 O3' DT C 4 7.478 -1.467 -21.252 1.00 45.34 O ATOM 1593 C2' DT C 4 7.116 -3.820 -21.822 1.00 48.51 C ATOM 1594 C1' DT C 4 5.974 -3.694 -22.819 1.00 48.74 C ATOM 1595 N1 DT C 4 5.337 -4.967 -23.292 1.00 48.56 N ATOM 1596 C2 DT C 4 3.971 -5.132 -23.172 1.00 48.76 C ATOM 1597 O2 DT C 4 3.220 -4.306 -22.693 1.00 48.77 O ATOM 1598 N3 DT C 4 3.484 -6.316 -23.657 1.00 49.46 N ATOM 1599 C4 DT C 4 4.215 -7.346 -24.217 1.00 48.38 C ATOM 1600 O4 DT C 4 3.666 -8.368 -24.608 1.00 47.42 O ATOM 1601 C5 DT C 4 5.636 -7.121 -24.323 1.00 48.03 C ATOM 1602 C7 DT C 4 6.513 -8.130 -25.002 1.00 45.68 C ATOM 1603 C6 DT C 4 6.122 -5.956 -23.860 1.00 48.76 C ATOM 1604 P DT C 5 7.795 -1.393 -19.689 1.00 43.99 P ATOM 1605 OP1 DT C 5 8.164 0.026 -19.440 1.00 44.57 O ATOM 1606 OP2 DT C 5 8.641 -2.534 -19.259 1.00 43.92 O ATOM 1607 O5' DT C 5 6.373 -1.658 -19.037 1.00 41.52 O ATOM 1608 C5' DT C 5 5.250 -1.054 -19.623 1.00 39.44 C ATOM 1609 C4' DT C 5 4.002 -1.649 -19.031 1.00 38.94 C ATOM 1610 O4' DT C 5 3.727 -2.915 -19.676 1.00 38.99 O ATOM 1611 C3' DT C 5 4.074 -1.947 -17.532 1.00 37.76 C ATOM 1612 O3' DT C 5 2.896 -1.444 -16.983 1.00 35.24 O ATOM 1613 C2' DT C 5 4.163 -3.468 -17.444 1.00 37.50 C ATOM 1614 C1' DT C 5 3.348 -3.833 -18.669 1.00 38.38 C ATOM 1615 N1 DT C 5 3.598 -5.161 -19.240 1.00 39.23 N ATOM 1616 C2 DT C 5 2.512 -5.948 -19.564 1.00 38.78 C ATOM 1617 O2 DT C 5 1.345 -5.616 -19.382 1.00 38.11 O ATOM 1618 N3 DT C 5 2.856 -7.155 -20.113 1.00 38.32 N ATOM 1619 C4 DT C 5 4.136 -7.623 -20.357 1.00 37.96 C ATOM 1620 O4 DT C 5 4.295 -8.725 -20.854 1.00 39.64 O ATOM 1621 C5 DT C 5 5.239 -6.755 -20.010 1.00 37.51 C ATOM 1622 C7 DT C 5 6.674 -7.150 -20.254 1.00 32.49 C ATOM 1623 C6 DT C 5 4.910 -5.568 -19.474 1.00 39.52 C ATOM 1624 P DT C 6 2.640 -1.481 -15.430 1.00 33.62 P ATOM 1625 OP1 DT C 6 2.068 -0.147 -15.096 1.00 33.49 O ATOM 1626 OP2 DT C 6 3.853 -2.019 -14.761 1.00 32.64 O ATOM 1627 O5' DT C 6 1.480 -2.584 -15.342 1.00 36.63 O ATOM 1628 C5' DT C 6 0.311 -2.424 -16.152 1.00 37.25 C ATOM 1629 C4' DT C 6 -0.657 -3.577 -16.018 1.00 38.71 C ATOM 1630 O4' DT C 6 -0.075 -4.767 -16.608 1.00 41.22 O ATOM 1631 C3' DT C 6 -1.005 -3.951 -14.590 1.00 41.57 C ATOM 1632 O3' DT C 6 -2.427 -4.096 -14.496 1.00 45.23 O ATOM 1633 C2' DT C 6 -0.215 -5.244 -14.337 1.00 41.83 C ATOM 1634 C1' DT C 6 -0.133 -5.872 -15.720 1.00 41.41 C ATOM 1635 N1 DT C 6 1.052 -6.745 -16.043 1.00 40.65 N ATOM 1636 C2 DT C 6 0.850 -7.980 -16.623 1.00 41.39 C ATOM 1637 O2 DT C 6 -0.252 -8.425 -16.862 1.00 41.81 O ATOM 1638 N3 DT C 6 1.978 -8.712 -16.907 1.00 41.93 N ATOM 1639 C4 DT C 6 3.285 -8.311 -16.702 1.00 42.63 C ATOM 1640 O4 DT C 6 4.245 -9.029 -16.997 1.00 42.01 O ATOM 1641 C5 DT C 6 3.444 -7.000 -16.106 1.00 42.25 C ATOM 1642 C7 DT C 6 4.829 -6.442 -15.899 1.00 41.89 C ATOM 1643 C6 DT C 6 2.334 -6.290 -15.817 1.00 41.11 C ATOM 1644 P DG C 7 -3.195 -4.052 -13.081 1.00 48.60 P ATOM 1645 OP1 DG C 7 -4.553 -3.509 -13.318 1.00 49.77 O ATOM 1646 OP2 DG C 7 -2.315 -3.464 -12.044 1.00 46.52 O ATOM 1647 O5' DG C 7 -3.355 -5.594 -12.742 1.00 50.38 O ATOM 1648 C5' DG C 7 -4.060 -6.425 -13.657 1.00 51.49 C ATOM 1649 C4' DG C 7 -3.848 -7.874 -13.281 1.00 51.91 C ATOM 1650 O4' DG C 7 -2.536 -8.284 -13.719 1.00 50.76 O ATOM 1651 C3' DG C 7 -3.912 -8.155 -11.779 1.00 52.41 C ATOM 1652 O3' DG C 7 -4.939 -9.105 -11.597 1.00 54.88 O ATOM 1653 C2' DG C 7 -2.512 -8.662 -11.423 1.00 51.50 C ATOM 1654 C1' DG C 7 -2.028 -9.181 -12.767 1.00 51.68 C ATOM 1655 N9 DG C 7 -0.592 -9.211 -12.985 1.00 52.32 N ATOM 1656 C8 DG C 7 0.339 -8.262 -12.640 1.00 52.57 C ATOM 1657 N7 DG C 7 1.555 -8.579 -12.992 1.00 52.56 N ATOM 1658 C5 DG C 7 1.423 -9.804 -13.619 1.00 52.64 C ATOM 1659 C6 DG C 7 2.398 -10.636 -14.206 1.00 52.48 C ATOM 1660 O6 DG C 7 3.618 -10.450 -14.288 1.00 52.19 O ATOM 1661 N1 DG C 7 1.837 -11.803 -14.723 1.00 52.54 N ATOM 1662 C2 DG C 7 0.494 -12.102 -14.693 1.00 52.03 C ATOM 1663 N2 DG C 7 0.131 -13.261 -15.247 1.00 52.26 N ATOM 1664 N3 DG C 7 -0.432 -11.337 -14.146 1.00 51.74 N ATOM 1665 C4 DG C 7 0.105 -10.207 -13.629 1.00 52.67 C ATOM 1666 P DT C 8 -5.516 -9.488 -10.163 1.00 58.04 P ATOM 1667 OP1 DT C 8 -6.935 -9.858 -10.387 1.00 57.69 O ATOM 1668 OP2 DT C 8 -5.146 -8.432 -9.192 1.00 59.27 O ATOM 1669 O5' DT C 8 -4.664 -10.792 -9.773 1.00 57.10 O ATOM 1670 C5' DT C 8 -4.781 -11.946 -10.589 1.00 57.19 C ATOM 1671 C4' DT C 8 -3.595 -12.881 -10.433 1.00 56.85 C ATOM 1672 O4' DT C 8 -2.437 -12.330 -11.101 1.00 55.77 O ATOM 1673 C3' DT C 8 -3.081 -13.156 -9.026 1.00 56.54 C ATOM 1674 O3' DT C 8 -3.937 -14.089 -8.321 1.00 58.57 O ATOM 1675 C2' DT C 8 -1.672 -13.668 -9.344 1.00 55.97 C ATOM 1676 C1' DT C 8 -1.348 -13.154 -10.740 1.00 54.61 C ATOM 1677 N1 DT C 8 -0.079 -12.379 -10.777 1.00 54.05 N ATOM 1678 C2 DT C 8 1.066 -12.922 -11.332 1.00 52.87 C ATOM 1679 O2 DT C 8 1.129 -14.031 -11.814 1.00 52.74 O ATOM 1680 N3 DT C 8 2.170 -12.110 -11.287 1.00 53.12 N ATOM 1681 C4 DT C 8 2.217 -10.831 -10.766 1.00 53.72 C ATOM 1682 O4 DT C 8 3.253 -10.181 -10.780 1.00 54.08 O ATOM 1683 C5 DT C 8 0.994 -10.319 -10.187 1.00 53.88 C ATOM 1684 C7 DT C 8 0.979 -9.011 -9.452 1.00 54.38 C ATOM 1685 C6 DT C 8 -0.086 -11.108 -10.224 1.00 54.13 C ATOM 1686 P DT C 9 -3.401 -15.344 -7.462 1.00 61.09 P ATOM 1687 OP1 DT C 9 -4.552 -15.973 -6.777 1.00 60.78 O ATOM 1688 OP2 DT C 9 -2.234 -14.925 -6.649 1.00 60.14 O ATOM 1689 O5' DT C 9 -2.892 -16.288 -8.659 1.00 60.86 O ATOM 1690 C5' DT C 9 -2.843 -17.705 -8.616 1.00 60.00 C ATOM 1691 C4' DT C 9 -1.415 -18.229 -8.585 1.00 59.41 C ATOM 1692 O4' DT C 9 -0.475 -17.334 -9.226 1.00 58.40 O ATOM 1693 C3' DT C 9 -0.891 -18.407 -7.171 1.00 59.87 C ATOM 1694 O3' DT C 9 -1.246 -19.728 -6.722 1.00 62.22 O ATOM 1695 C2' DT C 9 0.605 -18.102 -7.278 1.00 58.84 C ATOM 1696 C1' DT C 9 0.814 -17.544 -8.676 1.00 58.01 C ATOM 1697 N1 DT C 9 1.619 -16.258 -8.618 1.00 58.41 N ATOM 1698 C2 DT C 9 2.906 -16.187 -9.136 1.00 57.54 C ATOM 1699 O2 DT C 9 3.494 -17.098 -9.686 1.00 57.22 O ATOM 1700 N3 DT C 9 3.512 -14.965 -9.005 1.00 57.75 N ATOM 1701 C4 DT C 9 2.989 -13.837 -8.400 1.00 57.17 C ATOM 1702 O4 DT C 9 3.616 -12.791 -8.338 1.00 57.25 O ATOM 1703 C5 DT C 9 1.660 -13.959 -7.874 1.00 56.98 C ATOM 1704 C7 DT C 9 1.015 -12.780 -7.204 1.00 55.85 C ATOM 1705 C6 DT C 9 1.050 -15.148 -8.001 1.00 58.10 C ATOM 1706 P DT C 10 -0.209 -20.921 -6.476 1.00 63.02 P ATOM 1707 OP1 DT C 10 -0.999 -22.168 -6.526 1.00 63.31 O ATOM 1708 OP2 DT C 10 0.561 -20.554 -5.263 1.00 62.80 O ATOM 1709 O5' DT C 10 0.789 -20.895 -7.739 1.00 64.90 O ATOM 1710 C5' DT C 10 1.666 -21.989 -8.053 1.00 66.06 C ATOM 1711 C4' DT C 10 3.111 -21.824 -7.574 1.00 66.10 C ATOM 1712 O4' DT C 10 3.551 -20.441 -7.638 1.00 66.40 O ATOM 1713 C3' DT C 10 3.379 -22.291 -6.142 1.00 66.25 C ATOM 1714 O3' DT C 10 4.321 -23.364 -6.159 1.00 66.65 O ATOM 1715 C2' DT C 10 3.907 -21.053 -5.416 1.00 66.65 C ATOM 1716 C1' DT C 10 4.430 -20.187 -6.554 1.00 66.76 C ATOM 1717 N1 DT C 10 4.498 -18.688 -6.264 1.00 67.00 N ATOM 1718 C2 DT C 10 5.599 -17.974 -6.703 1.00 66.83 C ATOM 1719 O2 DT C 10 6.530 -18.467 -7.315 1.00 66.60 O ATOM 1720 N3 DT C 10 5.580 -16.631 -6.416 1.00 67.09 N ATOM 1721 C4 DT C 10 4.595 -15.940 -5.733 1.00 66.94 C ATOM 1722 O4 DT C 10 4.691 -14.730 -5.535 1.00 66.34 O ATOM 1723 C5 DT C 10 3.462 -16.729 -5.297 1.00 66.75 C ATOM 1724 C7 DT C 10 2.263 -16.087 -4.654 1.00 66.32 C ATOM 1725 C6 DT C 10 3.473 -18.045 -5.574 1.00 66.65 C ATOM 1726 P DA C 11 4.850 -24.060 -4.814 1.00 66.84 P ATOM 1727 OP1 DA C 11 4.999 -25.500 -5.118 1.00 66.48 O ATOM 1728 OP2 DA C 11 4.038 -23.599 -3.661 1.00 66.78 O ATOM 1729 O5' DA C 11 6.301 -23.418 -4.627 1.00 66.35 O ATOM 1730 C5' DA C 11 7.273 -23.565 -5.653 1.00 66.22 C ATOM 1731 C4' DA C 11 8.563 -22.875 -5.257 1.00 65.87 C ATOM 1732 O4' DA C 11 8.358 -21.436 -5.156 1.00 66.48 O ATOM 1733 C3' DA C 11 9.103 -23.310 -3.904 1.00 65.43 C ATOM 1734 O3' DA C 11 10.498 -23.414 -3.998 1.00 64.49 O ATOM 1735 C2' DA C 11 8.658 -22.199 -2.957 1.00 66.02 C ATOM 1736 C1' DA C 11 8.711 -20.975 -3.860 1.00 66.20 C ATOM 1737 N9 DA C 11 7.806 -19.902 -3.452 1.00 66.10 N ATOM 1738 C8 DA C 11 6.572 -20.012 -2.866 1.00 66.29 C ATOM 1739 N7 DA C 11 5.991 -18.861 -2.623 1.00 66.29 N ATOM 1740 C5 DA C 11 6.904 -17.933 -3.083 1.00 66.07 C ATOM 1741 C6 DA C 11 6.894 -16.528 -3.115 1.00 65.70 C ATOM 1742 N6 DA C 11 5.891 -15.780 -2.656 1.00 65.79 N ATOM 1743 N1 DA C 11 7.969 -15.915 -3.639 1.00 65.95 N ATOM 1744 C2 DA C 11 8.984 -16.650 -4.105 1.00 65.79 C ATOM 1745 N3 DA C 11 9.107 -17.974 -4.127 1.00 65.83 N ATOM 1746 C4 DA C 11 8.026 -18.559 -3.595 1.00 66.06 C ATOM 1747 P DA C 12 11.345 -23.979 -2.766 1.00 65.03 P ATOM 1748 OP1 DA C 12 11.843 -25.323 -3.145 1.00 66.19 O ATOM 1749 OP2 DA C 12 10.584 -23.806 -1.505 1.00 64.07 O ATOM 1750 O5' DA C 12 12.582 -22.979 -2.733 1.00 61.42 O ATOM 1751 C5' DA C 12 13.152 -22.469 -3.927 1.00 58.23 C ATOM 1752 C4' DA C 12 13.772 -21.121 -3.615 1.00 56.00 C ATOM 1753 O4' DA C 12 12.744 -20.137 -3.316 1.00 53.83 O ATOM 1754 C3' DA C 12 14.694 -21.128 -2.404 1.00 54.13 C ATOM 1755 O3' DA C 12 15.822 -20.345 -2.716 1.00 53.94 O ATOM 1756 C2' DA C 12 13.829 -20.536 -1.290 1.00 53.34 C ATOM 1757 C1' DA C 12 13.031 -19.515 -2.079 1.00 51.69 C ATOM 1758 N9 DA C 12 11.760 -19.086 -1.502 1.00 51.21 N ATOM 1759 C8 DA C 12 10.711 -19.858 -1.086 1.00 50.92 C ATOM 1760 N7 DA C 12 9.690 -19.163 -0.637 1.00 51.26 N ATOM 1761 C5 DA C 12 10.096 -17.838 -0.768 1.00 51.40 C ATOM 1762 C6 DA C 12 9.490 -16.593 -0.474 1.00 49.75 C ATOM 1763 N6 DA C 12 8.275 -16.413 0.044 1.00 49.34 N ATOM 1764 N1 DA C 12 10.203 -15.492 -0.743 1.00 50.94 N ATOM 1765 C2 DA C 12 11.427 -15.584 -1.266 1.00 50.99 C ATOM 1766 N3 DA C 12 12.100 -16.680 -1.581 1.00 50.80 N ATOM 1767 C4 DA C 12 11.373 -17.781 -1.306 1.00 51.71 C ATOM 1768 P DA C 13 17.082 -20.298 -1.732 1.00 56.39 P ATOM 1769 OP1 DA C 13 18.272 -20.574 -2.578 1.00 56.91 O ATOM 1770 OP2 DA C 13 16.798 -21.090 -0.509 1.00 55.10 O ATOM 1771 O5' DA C 13 17.115 -18.765 -1.272 1.00 54.28 O ATOM 1772 C5' DA C 13 17.130 -17.739 -2.263 1.00 51.83 C ATOM 1773 C4' DA C 13 16.943 -16.390 -1.610 1.00 49.70 C ATOM 1774 O4' DA C 13 15.592 -16.277 -1.089 1.00 48.51 O ATOM 1775 C3' DA C 13 17.885 -16.155 -0.440 1.00 48.41 C ATOM 1776 O3' DA C 13 18.481 -14.886 -0.624 1.00 47.63 O ATOM 1777 C2' DA C 13 16.978 -16.285 0.791 1.00 48.40 C ATOM 1778 C1' DA C 13 15.615 -15.858 0.265 1.00 48.39 C ATOM 1779 N9 DA C 13 14.430 -16.426 0.926 1.00 48.67 N ATOM 1780 C8 DA C 13 14.172 -17.745 1.200 1.00 48.95 C ATOM 1781 N7 DA C 13 13.013 -17.960 1.785 1.00 49.31 N ATOM 1782 C5 DA C 13 12.461 -16.695 1.895 1.00 48.58 C ATOM 1783 C6 DA C 13 11.241 -16.235 2.428 1.00 47.99 C ATOM 1784 N6 DA C 13 10.311 -17.024 2.976 1.00 47.34 N ATOM 1785 N1 DA C 13 11.017 -14.904 2.377 1.00 48.86 N ATOM 1786 C2 DA C 13 11.932 -14.086 1.844 1.00 48.53 C ATOM 1787 N3 DA C 13 13.111 -14.404 1.319 1.00 48.82 N ATOM 1788 C4 DA C 13 13.320 -15.737 1.373 1.00 48.76 C ATOM 1789 P DT C 14 19.476 -14.289 0.469 1.00 49.29 P ATOM 1790 OP1 DT C 14 20.512 -13.471 -0.197 1.00 49.10 O ATOM 1791 OP2 DT C 14 19.874 -15.395 1.377 1.00 50.25 O ATOM 1792 O5' DT C 14 18.527 -13.325 1.302 1.00 46.69 O ATOM 1793 C5' DT C 14 17.564 -12.520 0.686 1.00 44.22 C ATOM 1794 C4' DT C 14 16.770 -11.849 1.778 1.00 43.66 C ATOM 1795 O4' DT C 14 15.717 -12.733 2.235 1.00 43.86 O ATOM 1796 C3' DT C 14 17.580 -11.470 3.020 1.00 42.55 C ATOM 1797 O3' DT C 14 17.427 -10.077 3.145 1.00 43.69 O ATOM 1798 C2' DT C 14 16.961 -12.297 4.149 1.00 42.10 C ATOM 1799 C1' DT C 14 15.550 -12.539 3.627 1.00 43.91 C ATOM 1800 N1 DT C 14 14.799 -13.732 4.145 1.00 44.81 N ATOM 1801 C2 DT C 14 13.519 -13.586 4.655 1.00 44.79 C ATOM 1802 O2 DT C 14 12.916 -12.537 4.745 1.00 45.55 O ATOM 1803 N3 DT C 14 12.917 -14.739 5.069 1.00 45.08 N ATOM 1804 C4 DT C 14 13.466 -16.005 5.047 1.00 45.82 C ATOM 1805 O4 DT C 14 12.833 -16.975 5.450 1.00 46.29 O ATOM 1806 C5 DT C 14 14.799 -16.116 4.499 1.00 46.31 C ATOM 1807 C7 DT C 14 15.474 -17.461 4.454 1.00 45.82 C ATOM 1808 C6 DT C 14 15.392 -14.985 4.075 1.00 46.30 C ATOM 1809 P DT C 15 18.191 -9.131 4.188 1.00 46.29 P ATOM 1810 OP1 DT C 15 18.462 -7.877 3.454 1.00 48.57 O ATOM 1811 OP2 DT C 15 19.263 -9.846 4.915 1.00 45.79 O ATOM 1812 O5' DT C 15 17.047 -8.783 5.234 1.00 45.31 O ATOM 1813 C5' DT C 15 15.799 -8.340 4.739 1.00 44.96 C ATOM 1814 C4' DT C 15 14.782 -8.508 5.833 1.00 44.76 C ATOM 1815 O4' DT C 15 14.483 -9.911 6.036 1.00 45.40 O ATOM 1816 C3' DT C 15 15.267 -7.991 7.183 1.00 44.91 C ATOM 1817 O3' DT C 15 14.309 -7.051 7.596 1.00 46.07 O ATOM 1818 C2' DT C 15 15.330 -9.244 8.055 1.00 45.54 C ATOM 1819 C1' DT C 15 14.250 -10.093 7.416 1.00 44.96 C ATOM 1820 N1 DT C 15 14.252 -11.558 7.707 1.00 44.85 N ATOM 1821 C2 DT C 15 13.093 -12.149 8.176 1.00 45.74 C ATOM 1822 O2 DT C 15 12.057 -11.539 8.375 1.00 46.23 O ATOM 1823 N3 DT C 15 13.164 -13.505 8.390 1.00 45.76 N ATOM 1824 C4 DT C 15 14.283 -14.309 8.209 1.00 45.08 C ATOM 1825 O4 DT C 15 14.245 -15.513 8.425 1.00 44.24 O ATOM 1826 C5 DT C 15 15.470 -13.652 7.706 1.00 45.69 C ATOM 1827 C7 DT C 15 16.660 -14.461 7.279 1.00 42.83 C ATOM 1828 C6 DT C 15 15.394 -12.315 7.493 1.00 46.22 C ATOM 1829 P DT C 16 14.429 -6.161 8.910 1.00 46.36 P ATOM 1830 OP1 DT C 16 13.965 -4.800 8.532 1.00 45.17 O ATOM 1831 OP2 DT C 16 15.761 -6.416 9.533 1.00 46.43 O ATOM 1832 O5' DT C 16 13.289 -6.829 9.813 1.00 43.65 O ATOM 1833 C5' DT C 16 11.960 -6.815 9.324 1.00 40.78 C ATOM 1834 C4' DT C 16 11.045 -7.515 10.294 1.00 39.76 C ATOM 1835 O4' DT C 16 11.328 -8.942 10.274 1.00 40.13 O ATOM 1836 C3' DT C 16 11.206 -7.035 11.732 1.00 39.16 C ATOM 1837 O3' DT C 16 9.931 -6.712 12.233 1.00 37.94 O ATOM 1838 C2' DT C 16 11.873 -8.220 12.433 1.00 40.11 C ATOM 1839 C1' DT C 16 11.434 -9.417 11.596 1.00 39.72 C ATOM 1840 N1 DT C 16 12.408 -10.534 11.621 1.00 39.70 N ATOM 1841 C2 DT C 16 12.000 -11.808 11.974 1.00 40.96 C ATOM 1842 O2 DT C 16 10.858 -12.118 12.268 1.00 42.11 O ATOM 1843 N3 DT C 16 12.986 -12.754 11.950 1.00 40.81 N ATOM 1844 C4 DT C 16 14.321 -12.547 11.651 1.00 40.36 C ATOM 1845 O4 DT C 16 15.135 -13.475 11.669 1.00 41.07 O ATOM 1846 C5 DT C 16 14.683 -11.199 11.287 1.00 39.08 C ATOM 1847 C7 DT C 16 16.096 -10.856 10.916 1.00 36.83 C ATOM 1848 C6 DT C 16 13.721 -10.270 11.291 1.00 38.52 C ATOM 1849 P DT C 17 9.743 -6.257 13.736 1.00 38.55 P ATOM 1850 OP1 DT C 17 8.494 -5.486 13.793 1.00 43.28 O ATOM 1851 OP2 DT C 17 11.004 -5.619 14.163 1.00 39.46 O ATOM 1852 O5' DT C 17 9.471 -7.622 14.533 1.00 42.26 O ATOM 1853 C5' DT C 17 8.404 -8.493 14.101 1.00 44.39 C ATOM 1854 C4' DT C 17 8.279 -9.783 14.897 1.00 46.43 C ATOM 1855 O4' DT C 17 9.304 -10.712 14.473 1.00 47.10 O ATOM 1856 C3' DT C 17 8.428 -9.653 16.413 1.00 48.48 C ATOM 1857 O3' DT C 17 7.207 -9.992 17.042 1.00 53.62 O ATOM 1858 C2' DT C 17 9.498 -10.650 16.829 1.00 47.15 C ATOM 1859 C1' DT C 17 9.771 -11.461 15.575 1.00 45.84 C ATOM 1860 N1 DT C 17 11.217 -11.681 15.398 1.00 45.02 N ATOM 1861 C2 DT C 17 11.743 -12.946 15.464 1.00 44.99 C ATOM 1862 O2 DT C 17 11.076 -13.952 15.643 1.00 45.97 O ATOM 1863 N3 DT C 17 13.098 -12.995 15.282 1.00 44.93 N ATOM 1864 C4 DT C 17 13.938 -11.918 15.080 1.00 45.22 C ATOM 1865 O4 DT C 17 15.138 -12.042 14.936 1.00 45.53 O ATOM 1866 C5 DT C 17 13.335 -10.620 15.037 1.00 46.09 C ATOM 1867 C7 DT C 17 14.204 -9.394 14.965 1.00 44.98 C ATOM 1868 C6 DT C 17 12.012 -10.572 15.188 1.00 45.76 C ATOM 1869 P DG C 18 6.931 -9.626 18.582 1.00 58.47 P ATOM 1870 OP1 DG C 18 5.474 -9.357 18.643 1.00 57.47 O ATOM 1871 OP2 DG C 18 7.953 -8.655 19.067 1.00 55.49 O ATOM 1872 O5' DG C 18 7.200 -10.995 19.365 1.00 58.88 O ATOM 1873 C5' DG C 18 6.571 -12.203 18.972 1.00 58.64 C ATOM 1874 C4' DG C 18 7.278 -13.336 19.674 1.00 58.86 C ATOM 1875 O4' DG C 18 8.603 -13.506 19.106 1.00 57.93 O ATOM 1876 C3' DG C 18 7.491 -13.106 21.164 1.00 59.10 C ATOM 1877 O3' DG C 18 7.292 -14.337 21.825 1.00 61.77 O ATOM 1878 C2' DG C 18 8.936 -12.635 21.240 1.00 58.11 C ATOM 1879 C1' DG C 18 9.539 -13.512 20.154 1.00 57.96 C ATOM 1880 N9 DG C 18 10.830 -13.068 19.647 1.00 57.92 N ATOM 1881 C8 DG C 18 11.256 -11.792 19.357 1.00 58.32 C ATOM 1882 N7 DG C 18 12.489 -11.736 18.926 1.00 58.24 N ATOM 1883 C5 DG C 18 12.904 -13.069 18.940 1.00 58.59 C ATOM 1884 C6 DG C 18 14.144 -13.675 18.587 1.00 58.52 C ATOM 1885 O6 DG C 18 15.189 -13.159 18.167 1.00 58.64 O ATOM 1886 N1 DG C 18 14.136 -15.051 18.769 1.00 57.78 N ATOM 1887 C2 DG C 18 13.050 -15.753 19.216 1.00 57.85 C ATOM 1888 N2 DG C 18 13.225 -17.073 19.317 1.00 58.65 N ATOM 1889 N3 DG C 18 11.887 -15.220 19.547 1.00 57.69 N ATOM 1890 C4 DG C 18 11.889 -13.885 19.382 1.00 57.41 C ATOM 1891 P DA C 19 6.879 -14.388 23.364 1.00 62.60 P ATOM 1892 OP1 DA C 19 5.406 -14.220 23.432 1.00 61.33 O ATOM 1893 OP2 DA C 19 7.774 -13.484 24.131 1.00 61.93 O ATOM 1894 O5' DA C 19 7.230 -15.904 23.739 1.00 61.99 O ATOM 1895 C5' DA C 19 8.138 -16.726 23.010 1.00 60.87 C ATOM 1896 C4' DA C 19 9.466 -16.846 23.735 1.00 60.64 C ATOM 1897 O4' DA C 19 10.451 -16.126 22.957 1.00 59.30 O ATOM 1898 C3' DA C 19 9.563 -16.260 25.157 1.00 61.08 C ATOM 1899 O3' DA C 19 9.246 -17.263 26.194 1.00 63.24 O ATOM 1900 C2' DA C 19 10.968 -15.638 25.199 1.00 60.11 C ATOM 1901 C1' DA C 19 11.556 -15.931 23.817 1.00 58.69 C ATOM 1902 N9 DA C 19 12.424 -14.873 23.292 1.00 58.11 N ATOM 1903 C8 DA C 19 12.173 -13.527 23.230 1.00 57.37 C ATOM 1904 N7 DA C 19 13.153 -12.828 22.704 1.00 57.01 N ATOM 1905 C5 DA C 19 14.114 -13.777 22.400 1.00 57.67 C ATOM 1906 C6 DA C 19 15.401 -13.700 21.818 1.00 57.72 C ATOM 1907 N6 DA C 19 15.965 -12.559 21.426 1.00 56.92 N ATOM 1908 N1 DA C 19 16.102 -14.853 21.666 1.00 57.95 N ATOM 1909 C2 DA C 19 15.557 -16.010 22.057 1.00 57.09 C ATOM 1910 N3 DA C 19 14.360 -16.201 22.614 1.00 57.35 N ATOM 1911 C4 DA C 19 13.682 -15.044 22.759 1.00 57.87 C ATOM 1912 P DG C 20 10.262 -18.101 27.134 1.00 63.59 P ATOM 1913 OP1 DG C 20 9.539 -19.327 27.520 1.00 63.49 O ATOM 1914 OP2 DG C 20 10.827 -17.222 28.183 1.00 62.39 O ATOM 1915 O5' DG C 20 11.447 -18.490 26.127 1.00 65.85 O ATOM 1916 C5' DG C 20 12.391 -19.516 26.395 1.00 66.51 C ATOM 1917 C4' DG C 20 13.778 -18.965 26.686 1.00 66.92 C ATOM 1918 O4' DG C 20 14.072 -17.735 25.964 1.00 67.74 O ATOM 1919 C3' DG C 20 14.020 -18.632 28.151 1.00 67.39 C ATOM 1920 O3' DG C 20 15.181 -19.323 28.547 1.00 69.00 O ATOM 1921 C2' DG C 20 14.250 -17.128 28.175 1.00 67.23 C ATOM 1922 C1' DG C 20 14.886 -16.933 26.805 1.00 67.21 C ATOM 1923 N9 DG C 20 14.957 -15.530 26.367 1.00 67.42 N ATOM 1924 C8 DG C 20 14.022 -14.543 26.597 1.00 67.09 C ATOM 1925 N7 DG C 20 14.353 -13.382 26.105 1.00 67.10 N ATOM 1926 C5 DG C 20 15.589 -13.599 25.512 1.00 66.98 C ATOM 1927 C6 DG C 20 16.438 -12.697 24.823 1.00 67.21 C ATOM 1928 O6 DG C 20 16.260 -11.495 24.575 1.00 67.42 O ATOM 1929 N1 DG C 20 17.603 -13.310 24.379 1.00 66.72 N ATOM 1930 C2 DG C 20 17.911 -14.630 24.583 1.00 66.04 C ATOM 1931 N2 DG C 20 19.082 -15.019 24.079 1.00 66.37 N ATOM 1932 N3 DG C 20 17.133 -15.494 25.225 1.00 65.64 N ATOM 1933 C4 DG C 20 15.982 -14.915 25.665 1.00 66.86 C ATOM 1934 P DC C 21 15.411 -19.886 30.027 1.00 68.69 P ATOM 1935 OP1 DC C 21 15.587 -21.350 29.875 1.00 67.68 O ATOM 1936 OP2 DC C 21 14.394 -19.321 30.951 1.00 67.85 O ATOM 1937 O5' DC C 21 16.832 -19.235 30.384 1.00 68.73 O ATOM 1938 C5' DC C 21 18.016 -19.723 29.733 1.00 68.74 C ATOM 1939 C4' DC C 21 19.148 -18.709 29.791 1.00 68.38 C ATOM 1940 O4' DC C 21 18.837 -17.600 28.918 1.00 68.42 O ATOM 1941 C3' DC C 21 19.394 -18.066 31.152 1.00 68.23 C ATOM 1942 O3' DC C 21 20.397 -18.788 31.859 1.00 68.43 O ATOM 1943 C2' DC C 21 19.820 -16.630 30.828 1.00 67.84 C ATOM 1944 C1' DC C 21 19.544 -16.449 29.341 1.00 66.62 C ATOM 1945 N1 DC C 21 18.741 -15.212 28.981 1.00 65.06 N ATOM 1946 C2 DC C 21 19.346 -14.169 28.267 1.00 64.74 C ATOM 1947 O2 DC C 21 20.532 -14.259 27.940 1.00 64.55 O ATOM 1948 N3 DC C 21 18.612 -13.071 27.946 1.00 65.62 N ATOM 1949 C4 DC C 21 17.328 -12.983 28.294 1.00 65.30 C ATOM 1950 N4 DC C 21 16.665 -11.879 27.939 1.00 64.44 N ATOM 1951 C5 DC C 21 16.688 -14.034 29.023 1.00 64.68 C ATOM 1952 C6 DC C 21 17.422 -15.113 29.340 1.00 64.31 C ATOM 1953 P DA C 22 20.931 -18.282 33.279 1.00 68.15 P ATOM 1954 OP1 DA C 22 21.435 -19.478 33.992 1.00 68.12 O ATOM 1955 OP2 DA C 22 19.913 -17.406 33.914 1.00 67.02 O ATOM 1956 O5' DA C 22 22.178 -17.379 32.855 1.00 67.68 O ATOM 1957 C5' DA C 22 23.228 -17.877 32.036 1.00 67.58 C ATOM 1958 C4' DA C 22 24.335 -16.840 31.982 1.00 68.02 C ATOM 1959 O4' DA C 22 23.841 -15.700 31.237 1.00 66.95 O ATOM 1960 C3' DA C 22 24.796 -16.307 33.348 1.00 69.54 C ATOM 1961 O3' DA C 22 26.260 -16.339 33.417 1.00 72.73 O ATOM 1962 C2' DA C 22 24.095 -14.944 33.482 1.00 67.77 C ATOM 1963 C1' DA C 22 23.785 -14.529 32.041 1.00 65.26 C ATOM 1964 N9 DA C 22 22.479 -13.886 31.829 1.00 64.24 N ATOM 1965 C8 DA C 22 21.283 -14.201 32.416 1.00 63.24 C ATOM 1966 N7 DA C 22 20.279 -13.458 32.022 1.00 63.09 N ATOM 1967 C5 DA C 22 20.848 -12.586 31.110 1.00 63.32 C ATOM 1968 C6 DA C 22 20.310 -11.543 30.331 1.00 62.68 C ATOM 1969 N6 DA C 22 19.025 -11.190 30.352 1.00 62.50 N ATOM 1970 N1 DA C 22 21.155 -10.878 29.520 1.00 63.28 N ATOM 1971 C2 DA C 22 22.449 -11.223 29.487 1.00 63.23 C ATOM 1972 N3 DA C 22 23.070 -12.182 30.169 1.00 63.17 N ATOM 1973 C4 DA C 22 22.205 -12.835 30.975 1.00 63.98 C ATOM 1974 P DA C 23 27.259 -15.116 33.730 1.00 74.60 P ATOM 1975 OP1 DA C 23 28.637 -15.654 33.578 1.00 73.27 O ATOM 1976 OP2 DA C 23 26.816 -14.460 34.992 1.00 74.05 O ATOM 1977 O5' DA C 23 26.962 -14.106 32.518 1.00 73.59 O ATOM 1978 C5' DA C 23 28.007 -13.483 31.768 1.00 72.18 C ATOM 1979 C4' DA C 23 27.809 -11.977 31.665 1.00 70.57 C ATOM 1980 O4' DA C 23 26.397 -11.621 31.654 1.00 69.49 O ATOM 1981 C3' DA C 23 28.435 -11.167 32.800 1.00 69.43 C ATOM 1982 O3' DA C 23 29.193 -10.116 32.208 1.00 68.46 O ATOM 1983 C2' DA C 23 27.233 -10.703 33.628 1.00 69.06 C ATOM 1984 C1' DA C 23 26.181 -10.540 32.542 1.00 68.85 C ATOM 1985 N9 DA C 23 24.788 -10.573 32.989 1.00 68.79 N ATOM 1986 C8 DA C 23 24.195 -11.433 33.874 1.00 68.52 C ATOM 1987 N7 DA C 23 22.913 -11.210 34.049 1.00 68.36 N ATOM 1988 C5 DA C 23 22.642 -10.130 33.229 1.00 68.41 C ATOM 1989 C6 DA C 23 21.469 -9.396 32.952 1.00 67.92 C ATOM 1990 N6 DA C 23 20.280 -9.639 33.496 1.00 67.72 N ATOM 1991 N1 DA C 23 21.560 -8.378 32.076 1.00 68.69 N ATOM 1992 C2 DA C 23 22.741 -8.101 31.507 1.00 68.90 C ATOM 1993 N3 DA C 23 23.910 -8.713 31.687 1.00 69.09 N ATOM 1994 C4 DA C 23 23.790 -9.728 32.566 1.00 69.15 C ATOM 1995 P DA C 24 29.896 -8.973 33.082 1.00 68.68 P ATOM 1996 OP1 DA C 24 31.164 -8.615 32.403 1.00 69.25 O ATOM 1997 OP2 DA C 24 29.899 -9.384 34.506 1.00 68.26 O ATOM 1998 O5' DA C 24 28.889 -7.745 32.893 1.00 66.23 O ATOM 1999 C5' DA C 24 28.556 -7.301 31.569 1.00 62.78 C ATOM 2000 C4' DA C 24 27.725 -6.032 31.605 1.00 59.83 C ATOM 2001 O4' DA C 24 26.366 -6.354 31.994 1.00 57.60 O ATOM 2002 C3' DA C 24 28.238 -4.986 32.587 1.00 58.22 C ATOM 2003 O3' DA C 24 28.348 -3.741 31.898 1.00 57.58 O ATOM 2004 C2' DA C 24 27.230 -5.048 33.741 1.00 57.57 C ATOM 2005 C1' DA C 24 25.958 -5.526 33.062 1.00 57.62 C ATOM 2006 N9 DA C 24 25.043 -6.299 33.906 1.00 58.06 N ATOM 2007 C8 DA C 24 25.322 -7.377 34.711 1.00 58.61 C ATOM 2008 N7 DA C 24 24.276 -7.869 35.342 1.00 58.05 N ATOM 2009 C5 DA C 24 23.239 -7.059 34.921 1.00 57.53 C ATOM 2010 C6 DA C 24 21.864 -7.039 35.216 1.00 57.35 C ATOM 2011 N6 DA C 24 21.263 -7.892 36.034 1.00 56.64 N ATOM 2012 N1 DA C 24 21.112 -6.090 34.621 1.00 58.39 N ATOM 2013 C2 DA C 24 21.688 -5.218 33.785 1.00 57.82 C ATOM 2014 N3 DA C 24 22.967 -5.134 33.434 1.00 57.37 N ATOM 2015 C4 DA C 24 23.693 -6.090 34.039 1.00 57.67 C ATOM 2016 P DT C 25 28.528 -2.364 32.692 1.00 58.02 P ATOM 2017 OP1 DT C 25 29.088 -1.318 31.806 1.00 57.00 O ATOM 2018 OP2 DT C 25 29.160 -2.658 33.998 1.00 57.62 O ATOM 2019 O5' DT C 25 27.000 -2.004 32.957 1.00 56.98 O ATOM 2020 C5' DT C 25 26.060 -1.948 31.899 1.00 54.67 C ATOM 2021 C4' DT C 25 24.844 -1.230 32.423 1.00 53.10 C ATOM 2022 O4' DT C 25 24.069 -2.142 33.237 1.00 52.13 O ATOM 2023 C3' DT C 25 25.200 -0.056 33.326 1.00 52.94 C ATOM 2024 O3' DT C 25 24.538 1.081 32.814 1.00 54.86 O ATOM 2025 C2' DT C 25 24.776 -0.511 34.733 1.00 51.90 C ATOM 2026 C1' DT C 25 23.668 -1.501 34.434 1.00 50.96 C ATOM 2027 N1 DT C 25 23.414 -2.557 35.476 1.00 50.29 N ATOM 2028 C2 DT C 25 22.110 -2.808 35.873 1.00 50.32 C ATOM 2029 O2 DT C 25 21.142 -2.216 35.428 1.00 50.95 O ATOM 2030 N3 DT C 25 21.949 -3.800 36.804 1.00 49.81 N ATOM 2031 C4 DT C 25 22.964 -4.538 37.390 1.00 49.95 C ATOM 2032 O4 DT C 25 22.746 -5.415 38.224 1.00 49.13 O ATOM 2033 C5 DT C 25 24.300 -4.233 36.940 1.00 49.74 C ATOM 2034 C7 DT C 25 25.451 -4.999 37.521 1.00 48.16 C ATOM 2035 C6 DT C 25 24.470 -3.272 36.012 1.00 49.58 C ATOM 2036 P DT C 26 24.423 2.412 33.680 1.00 56.45 P ATOM 2037 OP1 DT C 26 24.199 3.527 32.729 1.00 56.46 O ATOM 2038 OP2 DT C 26 25.584 2.423 34.602 1.00 56.95 O ATOM 2039 O5' DT C 26 23.047 2.181 34.499 1.00 55.69 O ATOM 2040 C5' DT C 26 21.859 1.816 33.745 1.00 53.42 C ATOM 2041 C4' DT C 26 20.520 1.965 34.467 1.00 50.21 C ATOM 2042 O4' DT C 26 20.378 0.895 35.427 1.00 48.80 O ATOM 2043 C3' DT C 26 20.276 3.269 35.230 1.00 47.73 C ATOM 2044 O3' DT C 26 18.917 3.652 35.056 1.00 45.13 O ATOM 2045 C2' DT C 26 20.616 2.906 36.668 1.00 47.59 C ATOM 2046 C1' DT C 26 20.178 1.449 36.717 1.00 48.00 C ATOM 2047 N1 DT C 26 20.932 0.547 37.594 1.00 46.54 N ATOM 2048 C2 DT C 26 20.229 -0.312 38.392 1.00 45.28 C ATOM 2049 O2 DT C 26 19.016 -0.348 38.448 1.00 44.43 O ATOM 2050 N3 DT C 26 21.031 -1.135 39.127 1.00 46.87 N ATOM 2051 C4 DT C 26 22.413 -1.187 39.143 1.00 46.89 C ATOM 2052 O4 DT C 26 23.038 -1.967 39.844 1.00 46.74 O ATOM 2053 C5 DT C 26 23.079 -0.265 38.276 1.00 46.50 C ATOM 2054 C7 DT C 26 24.578 -0.250 38.219 1.00 45.61 C ATOM 2055 C6 DT C 26 22.314 0.544 37.535 1.00 47.06 C ATOM 2056 P DT C 27 18.317 4.977 35.717 1.00 45.39 P ATOM 2057 OP1 DT C 27 17.387 5.565 34.732 1.00 44.84 O ATOM 2058 OP2 DT C 27 19.389 5.781 36.347 1.00 45.97 O ATOM 2059 O5' DT C 27 17.467 4.429 36.945 1.00 46.50 O ATOM 2060 C5' DT C 27 16.767 3.189 36.843 1.00 46.67 C ATOM 2061 C4' DT C 27 16.407 2.623 38.205 1.00 45.19 C ATOM 2062 O4' DT C 27 17.513 1.898 38.790 1.00 43.67 O ATOM 2063 C3' DT C 27 16.009 3.687 39.212 1.00 45.57 C ATOM 2064 O3' DT C 27 14.633 3.503 39.472 1.00 46.90 O ATOM 2065 C2' DT C 27 16.929 3.473 40.420 1.00 45.12 C ATOM 2066 C1' DT C 27 17.477 2.074 40.193 1.00 44.72 C ATOM 2067 N1 DT C 27 18.867 1.805 40.688 1.00 44.51 N ATOM 2068 C2 DT C 27 19.076 0.785 41.598 1.00 42.91 C ATOM 2069 O2 DT C 27 18.190 0.093 42.065 1.00 41.75 O ATOM 2070 N3 DT C 27 20.384 0.609 41.959 1.00 43.14 N ATOM 2071 C4 DT C 27 21.474 1.321 41.483 1.00 44.62 C ATOM 2072 O4 DT C 27 22.605 1.059 41.884 1.00 45.31 O ATOM 2073 C5 DT C 27 21.207 2.375 40.522 1.00 43.39 C ATOM 2074 C7 DT C 27 22.320 3.246 39.994 1.00 38.95 C ATOM 2075 C6 DT C 27 19.921 2.552 40.175 1.00 44.40 C TER 2076 DT C 27 ATOM 2077 O5' DA D 1 21.055 -5.607 50.285 1.00 50.76 O ATOM 2078 C5' DA D 1 20.410 -6.848 49.971 1.00 52.65 C ATOM 2079 C4' DA D 1 19.328 -6.756 48.889 1.00 52.94 C ATOM 2080 O4' DA D 1 19.540 -5.591 48.038 1.00 53.18 O ATOM 2081 C3' DA D 1 19.326 -7.959 47.937 1.00 53.32 C ATOM 2082 O3' DA D 1 18.142 -8.195 47.161 1.00 52.78 O ATOM 2083 C2' DA D 1 20.374 -7.458 46.956 1.00 53.76 C ATOM 2084 C1' DA D 1 19.812 -6.054 46.724 1.00 52.96 C ATOM 2085 N9 DA D 1 20.686 -5.142 45.995 1.00 51.84 N ATOM 2086 C8 DA D 1 22.047 -5.171 45.893 1.00 51.88 C ATOM 2087 N7 DA D 1 22.548 -4.216 45.157 1.00 51.42 N ATOM 2088 C5 DA D 1 21.433 -3.513 44.740 1.00 52.49 C ATOM 2089 C6 DA D 1 21.269 -2.369 43.924 1.00 52.66 C ATOM 2090 N6 DA D 1 22.288 -1.716 43.365 1.00 51.88 N ATOM 2091 N1 DA D 1 20.009 -1.919 43.702 1.00 53.33 N ATOM 2092 C2 DA D 1 18.978 -2.572 44.264 1.00 53.51 C ATOM 2093 N3 DA D 1 19.007 -3.660 45.047 1.00 54.00 N ATOM 2094 C4 DA D 1 20.275 -4.077 45.248 1.00 52.78 C ATOM 2095 P DA D 2 16.740 -8.804 47.614 1.00 51.81 P ATOM 2096 OP1 DA D 2 16.307 -8.147 48.876 1.00 52.66 O ATOM 2097 OP2 DA D 2 16.803 -10.277 47.477 1.00 50.92 O ATOM 2098 O5' DA D 2 15.849 -8.169 46.455 1.00 50.01 O ATOM 2099 C5' DA D 2 16.175 -6.842 46.078 1.00 49.32 C ATOM 2100 C4' DA D 2 15.106 -6.206 45.231 1.00 49.50 C ATOM 2101 O4' DA D 2 15.736 -5.220 44.368 1.00 49.42 O ATOM 2102 C3' DA D 2 14.393 -7.146 44.281 1.00 49.31 C ATOM 2103 O3' DA D 2 13.151 -6.540 43.934 1.00 50.98 O ATOM 2104 C2' DA D 2 15.441 -7.240 43.173 1.00 48.75 C ATOM 2105 C1' DA D 2 15.978 -5.808 43.105 1.00 47.82 C ATOM 2106 N9 DA D 2 17.403 -5.688 42.801 1.00 47.59 N ATOM 2107 C8 DA D 2 18.413 -6.538 43.162 1.00 47.17 C ATOM 2108 N7 DA D 2 19.598 -6.169 42.734 1.00 47.21 N ATOM 2109 C5 DA D 2 19.355 -4.997 42.040 1.00 47.14 C ATOM 2110 C6 DA D 2 20.194 -4.108 41.343 1.00 46.08 C ATOM 2111 N6 DA D 2 21.506 -4.264 41.229 1.00 46.49 N ATOM 2112 N1 DA D 2 19.638 -3.035 40.759 1.00 46.42 N ATOM 2113 C2 DA D 2 18.325 -2.842 40.863 1.00 47.11 C ATOM 2114 N3 DA D 2 17.430 -3.606 41.491 1.00 48.70 N ATOM 2115 C4 DA D 2 18.008 -4.683 42.070 1.00 48.24 C ATOM 2116 P DA D 3 12.303 -6.912 42.622 1.00 53.49 P ATOM 2117 OP1 DA D 3 10.902 -6.481 42.890 1.00 51.08 O ATOM 2118 OP2 DA D 3 12.626 -8.299 42.186 1.00 53.19 O ATOM 2119 O5' DA D 3 12.939 -5.927 41.548 1.00 50.56 O ATOM 2120 C5' DA D 3 12.748 -4.544 41.740 1.00 50.02 C ATOM 2121 C4' DA D 3 12.982 -3.856 40.426 1.00 49.36 C ATOM 2122 O4' DA D 3 14.402 -3.878 40.127 1.00 48.02 O ATOM 2123 C3' DA D 3 12.270 -4.528 39.259 1.00 49.30 C ATOM 2124 O3' DA D 3 11.717 -3.507 38.451 1.00 52.40 O ATOM 2125 C2' DA D 3 13.372 -5.350 38.586 1.00 48.03 C ATOM 2126 C1' DA D 3 14.621 -4.535 38.893 1.00 46.60 C ATOM 2127 N9 DA D 3 15.845 -5.314 39.022 1.00 45.55 N ATOM 2128 C8 DA D 3 16.008 -6.546 39.586 1.00 45.78 C ATOM 2129 N7 DA D 3 17.245 -6.981 39.553 1.00 45.52 N ATOM 2130 C5 DA D 3 17.926 -5.955 38.938 1.00 44.09 C ATOM 2131 C6 DA D 3 19.270 -5.783 38.603 1.00 44.54 C ATOM 2132 N6 DA D 3 20.203 -6.685 38.860 1.00 44.36 N ATOM 2133 N1 DA D 3 19.624 -4.634 37.995 1.00 46.39 N ATOM 2134 C2 DA D 3 18.692 -3.712 37.728 1.00 46.02 C ATOM 2135 N3 DA D 3 17.392 -3.764 38.000 1.00 45.71 N ATOM 2136 C4 DA D 3 17.081 -4.921 38.605 1.00 44.73 C ATOM 2137 P DT D 4 11.078 -3.805 37.017 1.00 53.67 P ATOM 2138 OP1 DT D 4 9.973 -2.829 36.846 1.00 52.34 O ATOM 2139 OP2 DT D 4 10.859 -5.265 36.877 1.00 52.49 O ATOM 2140 O5' DT D 4 12.277 -3.414 36.040 1.00 53.10 O ATOM 2141 C5' DT D 4 12.807 -2.107 36.118 1.00 52.66 C ATOM 2142 C4' DT D 4 13.954 -2.009 35.149 1.00 52.52 C ATOM 2143 O4' DT D 4 14.989 -2.931 35.564 1.00 51.52 O ATOM 2144 C3' DT D 4 13.572 -2.380 33.717 1.00 52.36 C ATOM 2145 O3' DT D 4 13.905 -1.280 32.889 1.00 52.06 O ATOM 2146 C2' DT D 4 14.367 -3.662 33.437 1.00 52.29 C ATOM 2147 C1' DT D 4 15.531 -3.514 34.404 1.00 51.91 C ATOM 2148 N1 DT D 4 16.202 -4.762 34.845 1.00 52.52 N ATOM 2149 C2 DT D 4 17.562 -4.883 34.647 1.00 53.10 C ATOM 2150 O2 DT D 4 18.244 -4.028 34.110 1.00 52.84 O ATOM 2151 N3 DT D 4 18.105 -6.058 35.107 1.00 53.08 N ATOM 2152 C4 DT D 4 17.431 -7.094 35.727 1.00 51.73 C ATOM 2153 O4 DT D 4 18.008 -8.101 36.103 1.00 51.82 O ATOM 2154 C5 DT D 4 16.016 -6.914 35.916 1.00 51.74 C ATOM 2155 C7 DT D 4 15.229 -7.968 36.640 1.00 50.19 C ATOM 2156 C6 DT D 4 15.472 -5.764 35.471 1.00 52.49 C ATOM 2157 P DT D 5 13.721 -1.325 31.303 1.00 52.61 P ATOM 2158 OP1 DT D 5 13.351 0.065 30.923 1.00 53.11 O ATOM 2159 OP2 DT D 5 12.872 -2.482 30.928 1.00 51.20 O ATOM 2160 O5' DT D 5 15.203 -1.624 30.781 1.00 50.22 O ATOM 2161 C5' DT D 5 16.314 -0.926 31.320 1.00 47.81 C ATOM 2162 C4' DT D 5 17.595 -1.430 30.694 1.00 47.64 C ATOM 2163 O4' DT D 5 17.973 -2.698 31.283 1.00 46.52 O ATOM 2164 C3' DT D 5 17.512 -1.697 29.187 1.00 48.69 C ATOM 2165 O3' DT D 5 18.672 -1.170 28.582 1.00 48.48 O ATOM 2166 C2' DT D 5 17.429 -3.222 29.071 1.00 47.22 C ATOM 2167 C1' DT D 5 18.319 -3.591 30.238 1.00 45.52 C ATOM 2168 N1 DT D 5 18.148 -4.941 30.766 1.00 44.18 N ATOM 2169 C2 DT D 5 19.289 -5.644 31.086 1.00 44.38 C ATOM 2170 O2 DT D 5 20.424 -5.202 30.925 1.00 43.64 O ATOM 2171 N3 DT D 5 19.046 -6.890 31.613 1.00 43.79 N ATOM 2172 C4 DT D 5 17.806 -7.471 31.822 1.00 43.38 C ATOM 2173 O4 DT D 5 17.699 -8.597 32.295 1.00 44.05 O ATOM 2174 C5 DT D 5 16.654 -6.674 31.481 1.00 42.82 C ATOM 2175 C7 DT D 5 15.269 -7.200 31.746 1.00 39.43 C ATOM 2176 C6 DT D 5 16.877 -5.447 30.977 1.00 43.48 C ATOM 2177 P DT D 6 18.807 -1.113 27.006 1.00 47.51 P ATOM 2178 OP1 DT D 6 19.097 0.311 26.700 1.00 47.24 O ATOM 2179 OP2 DT D 6 17.684 -1.860 26.382 1.00 45.89 O ATOM 2180 O5' DT D 6 20.127 -1.987 26.770 1.00 50.71 O ATOM 2181 C5' DT D 6 21.287 -1.809 27.607 1.00 52.08 C ATOM 2182 C4' DT D 6 22.227 -2.996 27.531 1.00 52.44 C ATOM 2183 O4' DT D 6 21.563 -4.123 28.137 1.00 53.61 O ATOM 2184 C3' DT D 6 22.613 -3.453 26.129 1.00 54.34 C ATOM 2185 O3' DT D 6 24.032 -3.516 26.022 1.00 57.83 O ATOM 2186 C2' DT D 6 21.956 -4.822 25.960 1.00 53.52 C ATOM 2187 C1' DT D 6 21.828 -5.295 27.396 1.00 52.74 C ATOM 2188 N1 DT D 6 20.714 -6.247 27.709 1.00 52.13 N ATOM 2189 C2 DT D 6 21.024 -7.477 28.235 1.00 53.05 C ATOM 2190 O2 DT D 6 22.173 -7.829 28.431 1.00 52.64 O ATOM 2191 N3 DT D 6 19.938 -8.289 28.506 1.00 53.73 N ATOM 2192 C4 DT D 6 18.595 -7.983 28.332 1.00 53.37 C ATOM 2193 O4 DT D 6 17.694 -8.783 28.612 1.00 51.82 O ATOM 2194 C5 DT D 6 18.341 -6.661 27.792 1.00 53.05 C ATOM 2195 C7 DT D 6 16.931 -6.163 27.650 1.00 53.73 C ATOM 2196 C6 DT D 6 19.397 -5.874 27.514 1.00 52.31 C ATOM 2197 P DG D 7 24.788 -3.238 24.627 1.00 62.53 P ATOM 2198 OP1 DG D 7 26.075 -2.576 24.931 1.00 62.23 O ATOM 2199 OP2 DG D 7 23.853 -2.588 23.675 1.00 59.20 O ATOM 2200 O5' DG D 7 25.119 -4.726 24.132 1.00 63.51 O ATOM 2201 C5' DG D 7 25.939 -5.564 24.939 1.00 64.44 C ATOM 2202 C4' DG D 7 25.661 -7.027 24.662 1.00 65.91 C ATOM 2203 O4' DG D 7 24.371 -7.419 25.193 1.00 66.29 O ATOM 2204 C3' DG D 7 25.638 -7.409 23.181 1.00 66.83 C ATOM 2205 O3' DG D 7 26.689 -8.319 22.992 1.00 68.35 O ATOM 2206 C2' DG D 7 24.266 -8.044 22.943 1.00 66.31 C ATOM 2207 C1' DG D 7 23.869 -8.441 24.357 1.00 66.22 C ATOM 2208 N9 DG D 7 22.438 -8.562 24.598 1.00 65.97 N ATOM 2209 C8 DG D 7 21.438 -7.669 24.301 1.00 66.03 C ATOM 2210 N7 DG D 7 20.256 -8.081 24.671 1.00 66.09 N ATOM 2211 C5 DG D 7 20.493 -9.325 25.246 1.00 65.95 C ATOM 2212 C6 DG D 7 19.611 -10.269 25.832 1.00 66.38 C ATOM 2213 O6 DG D 7 18.381 -10.212 25.969 1.00 66.40 O ATOM 2214 N1 DG D 7 20.278 -11.407 26.284 1.00 66.31 N ATOM 2215 C2 DG D 7 21.640 -11.585 26.202 1.00 65.95 C ATOM 2216 N2 DG D 7 22.126 -12.728 26.691 1.00 66.03 N ATOM 2217 N3 DG D 7 22.479 -10.721 25.662 1.00 65.61 N ATOM 2218 C4 DG D 7 21.834 -9.623 25.209 1.00 65.75 C ATOM 2219 P DC D 8 27.263 -8.694 21.558 1.00 70.25 P ATOM 2220 OP1 DC D 8 28.686 -9.007 21.825 1.00 70.29 O ATOM 2221 OP2 DC D 8 26.862 -7.698 20.537 1.00 70.73 O ATOM 2222 O5' DC D 8 26.484 -10.040 21.205 1.00 69.56 O ATOM 2223 C5' DC D 8 26.791 -11.195 21.962 1.00 68.69 C ATOM 2224 C4' DC D 8 25.640 -12.165 21.908 1.00 67.29 C ATOM 2225 O4' DC D 8 24.467 -11.594 22.526 1.00 66.24 O ATOM 2226 C3' DC D 8 25.116 -12.489 20.527 1.00 66.81 C ATOM 2227 O3' DC D 8 26.046 -13.312 19.794 1.00 68.12 O ATOM 2228 C2' DC D 8 23.793 -13.141 20.928 1.00 66.07 C ATOM 2229 C1' DC D 8 23.440 -12.527 22.276 1.00 65.07 C ATOM 2230 N1 DC D 8 22.084 -11.880 22.301 1.00 65.11 N ATOM 2231 C2 DC D 8 20.990 -12.575 22.856 1.00 65.18 C ATOM 2232 O2 DC D 8 21.139 -13.710 23.328 1.00 64.16 O ATOM 2233 N3 DC D 8 19.774 -11.973 22.867 1.00 64.90 N ATOM 2234 C4 DC D 8 19.611 -10.756 22.359 1.00 63.98 C ATOM 2235 N4 DC D 8 18.380 -10.245 22.410 1.00 64.23 N ATOM 2236 C5 DC D 8 20.703 -10.029 21.789 1.00 63.76 C ATOM 2237 C6 DC D 8 21.907 -10.621 21.778 1.00 64.28 C ATOM 2238 P DT D 9 25.594 -14.513 18.814 1.00 69.73 P ATOM 2239 OP1 DT D 9 26.782 -14.996 18.081 1.00 69.57 O ATOM 2240 OP2 DT D 9 24.384 -14.133 18.040 1.00 68.48 O ATOM 2241 O5' DT D 9 25.228 -15.610 19.911 1.00 67.08 O ATOM 2242 C5' DT D 9 25.032 -16.928 19.540 1.00 66.19 C ATOM 2243 C4' DT D 9 23.712 -17.412 20.089 1.00 65.92 C ATOM 2244 O4' DT D 9 22.886 -16.371 20.632 1.00 65.87 O ATOM 2245 C3' DT D 9 22.832 -17.983 19.015 1.00 66.45 C ATOM 2246 O3' DT D 9 23.400 -19.231 18.727 1.00 66.70 O ATOM 2247 C2' DT D 9 21.461 -18.004 19.683 1.00 66.23 C ATOM 2248 C1' DT D 9 21.536 -16.826 20.645 1.00 66.57 C ATOM 2249 N1 DT D 9 20.594 -15.658 20.361 1.00 67.09 N ATOM 2250 C2 DT D 9 19.256 -15.715 20.735 1.00 66.11 C ATOM 2251 O2 DT D 9 18.716 -16.669 21.258 1.00 66.27 O ATOM 2252 N3 DT D 9 18.520 -14.604 20.439 1.00 65.83 N ATOM 2253 C4 DT D 9 18.990 -13.448 19.853 1.00 66.03 C ATOM 2254 O4 DT D 9 18.247 -12.506 19.634 1.00 66.89 O ATOM 2255 C5 DT D 9 20.379 -13.430 19.494 1.00 65.88 C ATOM 2256 C7 DT D 9 20.974 -12.230 18.825 1.00 64.70 C ATOM 2257 C6 DT D 9 21.106 -14.520 19.756 1.00 66.88 C ATOM 2258 P DC D 10 22.695 -20.232 17.731 1.00 66.06 P ATOM 2259 OP1 DC D 10 23.745 -21.177 17.301 1.00 67.35 O ATOM 2260 OP2 DC D 10 21.912 -19.480 16.723 1.00 66.59 O ATOM 2261 O5' DC D 10 21.670 -20.963 18.713 1.00 67.72 O ATOM 2262 C5' DC D 10 20.813 -21.971 18.207 1.00 69.86 C ATOM 2263 C4' DC D 10 19.360 -21.592 18.402 1.00 69.91 C ATOM 2264 O4' DC D 10 19.242 -20.179 18.656 1.00 70.12 O ATOM 2265 C3' DC D 10 18.489 -21.871 17.188 1.00 70.63 C ATOM 2266 O3' DC D 10 17.866 -23.143 17.368 1.00 71.29 O ATOM 2267 C2' DC D 10 17.511 -20.697 17.150 1.00 70.85 C ATOM 2268 C1' DC D 10 17.948 -19.765 18.272 1.00 70.64 C ATOM 2269 N1 DC D 10 17.963 -18.291 17.895 1.00 70.59 N ATOM 2270 C2 DC D 10 16.849 -17.486 18.172 1.00 69.68 C ATOM 2271 O2 DC D 10 15.853 -17.972 18.713 1.00 69.67 O ATOM 2272 N3 DC D 10 16.882 -16.175 17.839 1.00 69.84 N ATOM 2273 C4 DC D 10 17.958 -15.652 17.260 1.00 70.45 C ATOM 2274 N4 DC D 10 17.918 -14.350 16.962 1.00 70.02 N ATOM 2275 C5 DC D 10 19.110 -16.443 16.965 1.00 70.46 C ATOM 2276 C6 DC D 10 19.064 -17.744 17.286 1.00 70.79 C ATOM 2277 P DA D 11 16.855 -23.754 16.287 1.00 71.31 P ATOM 2278 OP1 DA D 11 17.226 -25.170 16.068 1.00 71.63 O ATOM 2279 OP2 DA D 11 16.775 -22.811 15.144 1.00 70.92 O ATOM 2280 O5' DA D 11 15.459 -23.715 17.075 1.00 70.34 O ATOM 2281 C5' DA D 11 14.247 -24.181 16.477 1.00 68.78 C ATOM 2282 C4' DA D 11 13.319 -23.027 16.157 1.00 67.49 C ATOM 2283 O4' DA D 11 13.939 -21.767 16.534 1.00 66.60 O ATOM 2284 C3' DA D 11 13.047 -22.837 14.673 1.00 67.44 C ATOM 2285 O3' DA D 11 12.058 -23.718 14.104 1.00 67.93 O ATOM 2286 C2' DA D 11 12.642 -21.374 14.603 1.00 66.96 C ATOM 2287 C1' DA D 11 13.315 -20.728 15.801 1.00 65.47 C ATOM 2288 N9 DA D 11 14.266 -19.714 15.346 1.00 65.14 N ATOM 2289 C8 DA D 11 15.475 -19.906 14.729 1.00 64.28 C ATOM 2290 N7 DA D 11 16.091 -18.780 14.436 1.00 63.91 N ATOM 2291 C5 DA D 11 15.216 -17.797 14.863 1.00 63.68 C ATOM 2292 C6 DA D 11 15.267 -16.394 14.835 1.00 63.32 C ATOM 2293 N6 DA D 11 16.289 -15.707 14.335 1.00 63.88 N ATOM 2294 N1 DA D 11 14.221 -15.716 15.339 1.00 63.45 N ATOM 2295 C2 DA D 11 13.183 -16.388 15.846 1.00 63.39 C ATOM 2296 N3 DA D 11 13.021 -17.703 15.934 1.00 63.29 N ATOM 2297 C4 DA D 11 14.081 -18.354 15.419 1.00 64.36 C ATOM 2298 P DA D 12 10.575 -23.994 14.653 1.00 68.23 P ATOM 2299 OP1 DA D 12 10.698 -25.019 15.716 1.00 68.20 O ATOM 2300 OP2 DA D 12 9.738 -24.230 13.449 1.00 65.95 O ATOM 2301 O5' DA D 12 10.090 -22.639 15.359 1.00 67.19 O ATOM 2302 C5' DA D 12 8.697 -22.345 15.554 1.00 65.18 C ATOM 2303 C4' DA D 12 8.243 -21.147 14.729 1.00 62.92 C ATOM 2304 O4' DA D 12 9.330 -20.191 14.635 1.00 60.63 O ATOM 2305 C3' DA D 12 7.834 -21.485 13.287 1.00 62.52 C ATOM 2306 O3' DA D 12 6.401 -21.520 13.025 1.00 62.78 O ATOM 2307 C2' DA D 12 8.537 -20.442 12.421 1.00 61.59 C ATOM 2308 C1' DA D 12 9.197 -19.488 13.417 1.00 59.98 C ATOM 2309 N9 DA D 12 10.500 -18.974 12.984 1.00 59.45 N ATOM 2310 C8 DA D 12 11.573 -19.684 12.523 1.00 59.23 C ATOM 2311 N7 DA D 12 12.611 -18.944 12.211 1.00 59.26 N ATOM 2312 C5 DA D 12 12.177 -17.654 12.448 1.00 58.82 C ATOM 2313 C6 DA D 12 12.798 -16.403 12.307 1.00 58.19 C ATOM 2314 N6 DA D 12 14.043 -16.239 11.868 1.00 58.44 N ATOM 2315 N1 DA D 12 12.088 -15.315 12.648 1.00 58.82 N ATOM 2316 C2 DA D 12 10.837 -15.457 13.090 1.00 59.25 C ATOM 2317 N3 DA D 12 10.146 -16.579 13.266 1.00 59.13 N ATOM 2318 C4 DA D 12 10.880 -17.652 12.923 1.00 59.30 C ATOM 2319 P DA D 13 5.281 -20.505 13.581 1.00 63.35 P ATOM 2320 OP1 DA D 13 5.140 -20.714 15.041 1.00 61.14 O ATOM 2321 OP2 DA D 13 4.112 -20.578 12.673 1.00 63.27 O ATOM 2322 O5' DA D 13 5.849 -19.035 13.352 1.00 63.09 O ATOM 2323 C5' DA D 13 5.346 -17.972 14.170 1.00 60.66 C ATOM 2324 C4' DA D 13 5.317 -16.668 13.401 1.00 58.13 C ATOM 2325 O4' DA D 13 6.610 -16.436 12.780 1.00 56.17 O ATOM 2326 C3' DA D 13 4.282 -16.615 12.282 1.00 56.70 C ATOM 2327 O3' DA D 13 3.584 -15.378 12.400 1.00 56.87 O ATOM 2328 C2' DA D 13 5.129 -16.791 11.012 1.00 55.92 C ATOM 2329 C1' DA D 13 6.453 -16.147 11.401 1.00 54.81 C ATOM 2330 N9 DA D 13 7.670 -16.607 10.718 1.00 53.86 N ATOM 2331 C8 DA D 13 7.998 -17.874 10.316 1.00 54.01 C ATOM 2332 N7 DA D 13 9.177 -17.972 9.750 1.00 53.55 N ATOM 2333 C5 DA D 13 9.653 -16.680 9.776 1.00 53.33 C ATOM 2334 C6 DA D 13 10.851 -16.106 9.325 1.00 53.62 C ATOM 2335 N6 DA D 13 11.817 -16.807 8.734 1.00 53.37 N ATOM 2336 N1 DA D 13 11.016 -14.774 9.502 1.00 54.32 N ATOM 2337 C2 DA D 13 10.051 -14.053 10.088 1.00 54.17 C ATOM 2338 N3 DA D 13 8.881 -14.489 10.558 1.00 54.64 N ATOM 2339 C4 DA D 13 8.744 -15.822 10.369 1.00 54.06 C ATOM 2340 P DA D 14 2.632 -14.844 11.233 1.00 58.50 P ATOM 2341 OP1 DA D 14 1.582 -13.964 11.798 1.00 58.03 O ATOM 2342 OP2 DA D 14 2.272 -15.991 10.360 1.00 58.63 O ATOM 2343 O5' DA D 14 3.640 -13.911 10.437 1.00 57.00 O ATOM 2344 C5' DA D 14 4.218 -12.803 11.088 1.00 54.41 C ATOM 2345 C4' DA D 14 4.960 -11.988 10.053 1.00 53.10 C ATOM 2346 O4' DA D 14 6.127 -12.715 9.576 1.00 51.62 O ATOM 2347 C3' DA D 14 4.129 -11.620 8.822 1.00 51.88 C ATOM 2348 O3' DA D 14 4.360 -10.242 8.586 1.00 52.17 O ATOM 2349 C2' DA D 14 4.670 -12.537 7.729 1.00 51.40 C ATOM 2350 C1' DA D 14 6.124 -12.692 8.168 1.00 52.11 C ATOM 2351 N9 DA D 14 6.766 -13.911 7.717 1.00 52.76 N ATOM 2352 C8 DA D 14 6.263 -15.192 7.705 1.00 53.54 C ATOM 2353 N7 DA D 14 7.098 -16.093 7.230 1.00 53.07 N ATOM 2354 C5 DA D 14 8.219 -15.338 6.913 1.00 53.55 C ATOM 2355 C6 DA D 14 9.473 -15.676 6.363 1.00 53.30 C ATOM 2356 N6 DA D 14 9.814 -16.922 6.027 1.00 53.14 N ATOM 2357 N1 DA D 14 10.367 -14.674 6.179 1.00 53.38 N ATOM 2358 C2 DA D 14 10.035 -13.417 6.514 1.00 53.06 C ATOM 2359 N3 DA D 14 8.891 -12.977 7.042 1.00 52.67 N ATOM 2360 C4 DA D 14 8.030 -13.994 7.215 1.00 52.96 C ATOM 2361 P DT D 15 3.622 -9.380 7.458 1.00 53.00 P ATOM 2362 OP1 DT D 15 3.236 -8.122 8.130 1.00 52.32 O ATOM 2363 OP2 DT D 15 2.661 -10.216 6.688 1.00 52.70 O ATOM 2364 O5' DT D 15 4.798 -9.016 6.452 1.00 50.79 O ATOM 2365 C5' DT D 15 6.059 -8.607 6.923 1.00 48.25 C ATOM 2366 C4' DT D 15 7.028 -8.770 5.777 1.00 47.86 C ATOM 2367 O4' DT D 15 7.359 -10.162 5.566 1.00 49.02 O ATOM 2368 C3' DT D 15 6.494 -8.283 4.429 1.00 47.43 C ATOM 2369 O3' DT D 15 7.416 -7.316 4.018 1.00 46.60 O ATOM 2370 C2' DT D 15 6.458 -9.527 3.541 1.00 47.87 C ATOM 2371 C1' DT D 15 7.568 -10.337 4.182 1.00 48.54 C ATOM 2372 N1 DT D 15 7.572 -11.793 3.938 1.00 48.99 N ATOM 2373 C2 DT D 15 8.724 -12.401 3.463 1.00 50.10 C ATOM 2374 O2 DT D 15 9.766 -11.821 3.208 1.00 50.15 O ATOM 2375 N3 DT D 15 8.629 -13.756 3.300 1.00 50.22 N ATOM 2376 C4 DT D 15 7.516 -14.539 3.547 1.00 48.91 C ATOM 2377 O4 DT D 15 7.548 -15.751 3.367 1.00 49.12 O ATOM 2378 C5 DT D 15 6.351 -13.851 4.048 1.00 48.56 C ATOM 2379 C7 DT D 15 5.134 -14.622 4.450 1.00 47.01 C ATOM 2380 C6 DT D 15 6.432 -12.522 4.216 1.00 48.72 C ATOM 2381 P DT D 16 7.249 -6.378 2.743 1.00 45.20 P ATOM 2382 OP1 DT D 16 7.667 -5.016 3.173 1.00 42.06 O ATOM 2383 OP2 DT D 16 5.955 -6.677 2.056 1.00 43.08 O ATOM 2384 O5' DT D 16 8.447 -6.947 1.850 1.00 42.53 O ATOM 2385 C5' DT D 16 9.793 -6.788 2.292 1.00 37.92 C ATOM 2386 C4' DT D 16 10.661 -7.571 1.345 1.00 36.68 C ATOM 2387 O4' DT D 16 10.275 -8.975 1.426 1.00 37.11 O ATOM 2388 C3' DT D 16 10.500 -7.139 -0.115 1.00 36.45 C ATOM 2389 O3' DT D 16 11.789 -6.822 -0.623 1.00 33.97 O ATOM 2390 C2' DT D 16 9.814 -8.347 -0.771 1.00 37.34 C ATOM 2391 C1' DT D 16 10.249 -9.509 0.123 1.00 36.55 C ATOM 2392 N1 DT D 16 9.341 -10.681 0.101 1.00 36.44 N ATOM 2393 C2 DT D 16 9.840 -11.920 -0.270 1.00 37.97 C ATOM 2394 O2 DT D 16 11.009 -12.136 -0.584 1.00 37.17 O ATOM 2395 N3 DT D 16 8.893 -12.918 -0.262 1.00 37.69 N ATOM 2396 C4 DT D 16 7.555 -12.842 0.072 1.00 36.69 C ATOM 2397 O4 DT D 16 6.833 -13.842 0.033 1.00 36.01 O ATOM 2398 C5 DT D 16 7.106 -11.512 0.445 1.00 36.60 C ATOM 2399 C7 DT D 16 5.665 -11.232 0.728 1.00 35.44 C ATOM 2400 C6 DT D 16 8.011 -10.517 0.447 1.00 35.81 C ATOM 2401 P DT D 17 12.026 -6.302 -2.104 1.00 32.78 P ATOM 2402 OP1 DT D 17 13.333 -5.613 -2.092 1.00 34.05 O ATOM 2403 OP2 DT D 17 10.810 -5.610 -2.573 1.00 34.02 O ATOM 2404 O5' DT D 17 12.240 -7.650 -2.942 1.00 37.00 O ATOM 2405 C5' DT D 17 13.363 -8.467 -2.588 1.00 39.29 C ATOM 2406 C4' DT D 17 13.406 -9.797 -3.298 1.00 41.00 C ATOM 2407 O4' DT D 17 12.361 -10.638 -2.787 1.00 41.95 O ATOM 2408 C3' DT D 17 13.138 -9.715 -4.776 1.00 44.68 C ATOM 2409 O3' DT D 17 14.367 -9.628 -5.474 1.00 51.39 O ATOM 2410 C2' DT D 17 12.381 -10.996 -5.113 1.00 43.33 C ATOM 2411 C1' DT D 17 11.990 -11.574 -3.773 1.00 41.14 C ATOM 2412 N1 DT D 17 10.542 -11.769 -3.638 1.00 39.73 N ATOM 2413 C2 DT D 17 10.036 -13.034 -3.680 1.00 38.78 C ATOM 2414 O2 DT D 17 10.727 -14.012 -3.846 1.00 39.72 O ATOM 2415 N3 DT D 17 8.682 -13.109 -3.548 1.00 39.50 N ATOM 2416 C4 DT D 17 7.825 -12.045 -3.359 1.00 40.72 C ATOM 2417 O4 DT D 17 6.621 -12.206 -3.247 1.00 41.51 O ATOM 2418 C5 DT D 17 8.416 -10.733 -3.326 1.00 40.13 C ATOM 2419 C7 DT D 17 7.559 -9.509 -3.173 1.00 38.43 C ATOM 2420 C6 DT D 17 9.741 -10.658 -3.466 1.00 39.84 C ATOM 2421 P DA D 18 14.357 -9.106 -7.000 1.00 57.70 P ATOM 2422 OP1 DA D 18 15.583 -8.277 -7.154 1.00 57.13 O ATOM 2423 OP2 DA D 18 13.016 -8.554 -7.349 1.00 55.44 O ATOM 2424 O5' DA D 18 14.488 -10.465 -7.830 1.00 55.50 O ATOM 2425 C5' DA D 18 15.198 -11.597 -7.327 1.00 54.95 C ATOM 2426 C4' DA D 18 14.764 -12.784 -8.154 1.00 54.07 C ATOM 2427 O4' DA D 18 13.525 -13.291 -7.609 1.00 53.06 O ATOM 2428 C3' DA D 18 14.526 -12.407 -9.617 1.00 53.98 C ATOM 2429 O3' DA D 18 15.477 -13.123 -10.422 1.00 56.26 O ATOM 2430 C2' DA D 18 13.030 -12.649 -9.841 1.00 53.33 C ATOM 2431 C1' DA D 18 12.587 -13.469 -8.640 1.00 52.98 C ATOM 2432 N9 DA D 18 11.278 -13.095 -8.132 1.00 52.41 N ATOM 2433 C8 DA D 18 10.754 -11.851 -7.908 1.00 52.87 C ATOM 2434 N7 DA D 18 9.524 -11.866 -7.444 1.00 52.83 N ATOM 2435 C5 DA D 18 9.228 -13.222 -7.365 1.00 53.89 C ATOM 2436 C6 DA D 18 8.083 -13.958 -6.956 1.00 54.10 C ATOM 2437 N6 DA D 18 6.947 -13.416 -6.508 1.00 53.58 N ATOM 2438 N1 DA D 18 8.148 -15.310 -7.017 1.00 54.06 N ATOM 2439 C2 DA D 18 9.267 -15.905 -7.456 1.00 53.81 C ATOM 2440 N3 DA D 18 10.397 -15.327 -7.864 1.00 54.28 N ATOM 2441 C4 DA D 18 10.307 -13.983 -7.787 1.00 53.23 C ATOM 2442 P DA D 19 15.174 -14.142 -11.633 1.00 59.15 P ATOM 2443 OP1 DA D 19 16.495 -14.744 -11.925 1.00 58.10 O ATOM 2444 OP2 DA D 19 14.400 -13.439 -12.692 1.00 55.73 O ATOM 2445 O5' DA D 19 14.256 -15.271 -10.940 1.00 59.90 O ATOM 2446 C5' DA D 19 14.174 -16.607 -11.406 1.00 59.58 C ATOM 2447 C4' DA D 19 12.811 -16.872 -12.011 1.00 59.76 C ATOM 2448 O4' DA D 19 11.807 -16.289 -11.148 1.00 59.04 O ATOM 2449 C3' DA D 19 12.589 -16.246 -13.392 1.00 60.62 C ATOM 2450 O3' DA D 19 12.959 -17.150 -14.475 1.00 63.25 O ATOM 2451 C2' DA D 19 11.123 -15.812 -13.373 1.00 59.90 C ATOM 2452 C1' DA D 19 10.662 -16.112 -11.953 1.00 59.57 C ATOM 2453 N9 DA D 19 9.820 -15.047 -11.431 1.00 59.24 N ATOM 2454 C8 DA D 19 10.091 -13.707 -11.330 1.00 59.60 C ATOM 2455 N7 DA D 19 9.099 -13.012 -10.820 1.00 59.24 N ATOM 2456 C5 DA D 19 8.123 -13.963 -10.588 1.00 58.92 C ATOM 2457 C6 DA D 19 6.824 -13.904 -10.060 1.00 59.18 C ATOM 2458 N6 DA D 19 6.230 -12.793 -9.650 1.00 59.06 N ATOM 2459 N1 DA D 19 6.128 -15.054 -9.968 1.00 60.18 N ATOM 2460 C2 DA D 19 6.680 -16.196 -10.380 1.00 59.44 C ATOM 2461 N3 DA D 19 7.893 -16.375 -10.891 1.00 59.11 N ATOM 2462 C4 DA D 19 8.557 -15.217 -10.964 1.00 58.58 C ATOM 2463 P DA D 20 11.993 -18.158 -15.279 1.00 64.86 P ATOM 2464 OP1 DA D 20 11.226 -18.960 -14.298 1.00 66.31 O ATOM 2465 OP2 DA D 20 12.810 -18.857 -16.295 1.00 64.88 O ATOM 2466 O5' DA D 20 11.006 -17.167 -16.055 1.00 64.59 O ATOM 2467 C5' DA D 20 9.894 -17.675 -16.789 1.00 63.42 C ATOM 2468 C4' DA D 20 8.830 -18.387 -15.948 1.00 61.54 C ATOM 2469 O4' DA D 20 8.567 -17.746 -14.672 1.00 61.22 O ATOM 2470 C3' DA D 20 7.493 -18.431 -16.669 1.00 60.46 C ATOM 2471 O3' DA D 20 7.247 -19.771 -16.987 1.00 60.14 O ATOM 2472 C2' DA D 20 6.431 -17.878 -15.730 1.00 59.65 C ATOM 2473 C1' DA D 20 7.193 -17.423 -14.497 1.00 58.25 C ATOM 2474 N9 DA D 20 7.014 -15.992 -14.198 1.00 57.36 N ATOM 2475 C8 DA D 20 7.893 -14.964 -14.410 1.00 56.39 C ATOM 2476 N7 DA D 20 7.433 -13.798 -14.014 1.00 56.76 N ATOM 2477 C5 DA D 20 6.177 -14.076 -13.501 1.00 56.30 C ATOM 2478 C6 DA D 20 5.170 -13.273 -12.929 1.00 55.88 C ATOM 2479 N6 DA D 20 5.294 -11.960 -12.767 1.00 55.75 N ATOM 2480 N1 DA D 20 4.026 -13.874 -12.532 1.00 56.19 N ATOM 2481 C2 DA D 20 3.886 -15.192 -12.688 1.00 55.52 C ATOM 2482 N3 DA D 20 4.761 -16.039 -13.217 1.00 55.86 N ATOM 2483 C4 DA D 20 5.896 -15.423 -13.611 1.00 56.63 C ATOM 2484 P DC D 21 7.046 -20.144 -18.517 1.00 59.05 P ATOM 2485 OP1 DC D 21 6.759 -21.596 -18.568 1.00 59.51 O ATOM 2486 OP2 DC D 21 8.144 -19.535 -19.313 1.00 58.29 O ATOM 2487 O5' DC D 21 5.697 -19.353 -18.826 1.00 59.08 O ATOM 2488 C5' DC D 21 4.515 -19.742 -18.131 1.00 58.57 C ATOM 2489 C4' DC D 21 3.373 -18.787 -18.412 1.00 57.85 C ATOM 2490 O4' DC D 21 3.462 -17.636 -17.526 1.00 57.79 O ATOM 2491 C3' DC D 21 3.349 -18.223 -19.830 1.00 57.30 C ATOM 2492 O3' DC D 21 2.014 -18.102 -20.265 1.00 57.29 O ATOM 2493 C2' DC D 21 3.990 -16.854 -19.649 1.00 57.02 C ATOM 2494 C1' DC D 21 3.377 -16.454 -18.310 1.00 55.45 C ATOM 2495 N1 DC D 21 4.015 -15.269 -17.606 1.00 54.40 N ATOM 2496 C2 DC D 21 3.198 -14.425 -16.833 1.00 53.81 C ATOM 2497 O2 DC D 21 1.984 -14.656 -16.737 1.00 52.73 O ATOM 2498 N3 DC D 21 3.768 -13.359 -16.209 1.00 54.26 N ATOM 2499 C4 DC D 21 5.074 -13.119 -16.315 1.00 53.65 C ATOM 2500 N4 DC D 21 5.556 -12.061 -15.667 1.00 53.06 N ATOM 2501 C5 DC D 21 5.927 -13.963 -17.088 1.00 54.07 C ATOM 2502 C6 DC D 21 5.365 -15.012 -17.713 1.00 54.08 C ATOM 2503 P DA D 22 1.585 -18.418 -21.766 1.00 55.94 P ATOM 2504 OP1 DA D 22 1.950 -19.831 -22.016 1.00 56.35 O ATOM 2505 OP2 DA D 22 2.110 -17.353 -22.657 1.00 54.93 O ATOM 2506 O5' DA D 22 -0.009 -18.245 -21.669 1.00 55.75 O ATOM 2507 C5' DA D 22 -0.758 -18.516 -20.466 1.00 55.47 C ATOM 2508 C4' DA D 22 -1.854 -17.491 -20.222 1.00 55.60 C ATOM 2509 O4' DA D 22 -1.325 -16.322 -19.538 1.00 55.33 O ATOM 2510 C3' DA D 22 -2.512 -16.934 -21.475 1.00 56.98 C ATOM 2511 O3' DA D 22 -3.871 -16.655 -21.169 1.00 59.94 O ATOM 2512 C2' DA D 22 -1.674 -15.687 -21.773 1.00 56.05 C ATOM 2513 C1' DA D 22 -1.434 -15.165 -20.364 1.00 53.90 C ATOM 2514 N9 DA D 22 -0.235 -14.337 -20.195 1.00 53.00 N ATOM 2515 C8 DA D 22 0.990 -14.497 -20.781 1.00 52.07 C ATOM 2516 N7 DA D 22 1.872 -13.596 -20.417 1.00 51.89 N ATOM 2517 C5 DA D 22 1.183 -12.790 -19.529 1.00 51.75 C ATOM 2518 C6 DA D 22 1.552 -11.657 -18.780 1.00 51.97 C ATOM 2519 N6 DA D 22 2.769 -11.107 -18.815 1.00 52.05 N ATOM 2520 N1 DA D 22 0.615 -11.097 -17.989 1.00 52.48 N ATOM 2521 C2 DA D 22 -0.608 -11.632 -17.940 1.00 52.24 C ATOM 2522 N3 DA D 22 -1.071 -12.692 -18.593 1.00 52.49 N ATOM 2523 C4 DA D 22 -0.117 -13.232 -19.378 1.00 52.68 C ATOM 2524 P DA D 23 -4.847 -15.949 -22.229 1.00 63.13 P ATOM 2525 OP1 DA D 23 -6.183 -16.585 -22.086 1.00 62.44 O ATOM 2526 OP2 DA D 23 -4.175 -15.864 -23.553 1.00 62.40 O ATOM 2527 O5' DA D 23 -4.920 -14.465 -21.646 1.00 61.56 O ATOM 2528 C5' DA D 23 -5.321 -14.252 -20.292 1.00 60.16 C ATOM 2529 C4' DA D 23 -5.510 -12.768 -20.027 1.00 58.46 C ATOM 2530 O4' DA D 23 -4.213 -12.118 -19.899 1.00 57.12 O ATOM 2531 C3' DA D 23 -6.242 -12.004 -21.131 1.00 56.58 C ATOM 2532 O3' DA D 23 -7.004 -10.982 -20.520 1.00 55.59 O ATOM 2533 C2' DA D 23 -5.103 -11.480 -22.006 1.00 55.63 C ATOM 2534 C1' DA D 23 -4.050 -11.173 -20.951 1.00 55.41 C ATOM 2535 N9 DA D 23 -2.664 -11.227 -21.419 1.00 55.27 N ATOM 2536 C8 DA D 23 -2.068 -12.124 -22.269 1.00 54.93 C ATOM 2537 N7 DA D 23 -0.789 -11.897 -22.468 1.00 54.41 N ATOM 2538 C5 DA D 23 -0.534 -10.774 -21.698 1.00 54.46 C ATOM 2539 C6 DA D 23 0.621 -10.009 -21.469 1.00 54.13 C ATOM 2540 N6 DA D 23 1.807 -10.266 -22.012 1.00 54.51 N ATOM 2541 N1 DA D 23 0.523 -8.956 -20.642 1.00 54.42 N ATOM 2542 C2 DA D 23 -0.650 -8.669 -20.077 1.00 54.46 C ATOM 2543 N3 DA D 23 -1.805 -9.302 -20.213 1.00 54.55 N ATOM 2544 C4 DA D 23 -1.675 -10.352 -21.044 1.00 55.14 C ATOM 2545 P DA D 24 -7.892 -9.963 -21.367 1.00 56.07 P ATOM 2546 OP1 DA D 24 -9.215 -9.914 -20.709 1.00 56.72 O ATOM 2547 OP2 DA D 24 -7.777 -10.234 -22.818 1.00 55.68 O ATOM 2548 O5' DA D 24 -7.132 -8.583 -21.131 1.00 54.60 O ATOM 2549 C5' DA D 24 -6.814 -8.136 -19.825 1.00 52.09 C ATOM 2550 C4' DA D 24 -5.960 -6.890 -19.934 1.00 50.20 C ATOM 2551 O4' DA D 24 -4.646 -7.228 -20.453 1.00 48.51 O ATOM 2552 C3' DA D 24 -6.525 -5.835 -20.878 1.00 48.74 C ATOM 2553 O3' DA D 24 -6.544 -4.601 -20.183 1.00 49.09 O ATOM 2554 C2' DA D 24 -5.587 -5.901 -22.094 1.00 48.04 C ATOM 2555 C1' DA D 24 -4.273 -6.310 -21.461 1.00 46.92 C ATOM 2556 N9 DA D 24 -3.290 -6.972 -22.321 1.00 46.61 N ATOM 2557 C8 DA D 24 -3.463 -8.063 -23.129 1.00 47.28 C ATOM 2558 N7 DA D 24 -2.378 -8.444 -23.772 1.00 47.09 N ATOM 2559 C5 DA D 24 -1.422 -7.548 -23.349 1.00 46.65 C ATOM 2560 C6 DA D 24 -0.056 -7.397 -23.653 1.00 46.55 C ATOM 2561 N6 DA D 24 0.614 -8.187 -24.491 1.00 45.29 N ATOM 2562 N1 DA D 24 0.603 -6.378 -23.050 1.00 47.12 N ATOM 2563 C2 DA D 24 -0.049 -5.574 -22.206 1.00 46.40 C ATOM 2564 N3 DA D 24 -1.327 -5.618 -21.848 1.00 46.22 N ATOM 2565 C4 DA D 24 -1.964 -6.637 -22.453 1.00 46.86 C ATOM 2566 P DT D 25 -6.890 -3.245 -20.949 1.00 50.11 P ATOM 2567 OP1 DT D 25 -7.518 -2.330 -19.974 1.00 51.14 O ATOM 2568 OP2 DT D 25 -7.602 -3.528 -22.222 1.00 50.15 O ATOM 2569 O5' DT D 25 -5.401 -2.779 -21.321 1.00 47.77 O ATOM 2570 C5' DT D 25 -4.571 -2.033 -20.442 1.00 44.46 C ATOM 2571 C4' DT D 25 -3.432 -1.451 -21.249 1.00 43.71 C ATOM 2572 O4' DT D 25 -2.701 -2.553 -21.830 1.00 43.15 O ATOM 2573 C3' DT D 25 -3.866 -0.608 -22.451 1.00 43.54 C ATOM 2574 O3' DT D 25 -4.018 0.788 -22.153 1.00 42.67 O ATOM 2575 C2' DT D 25 -2.836 -0.938 -23.529 1.00 43.49 C ATOM 2576 C1' DT D 25 -1.986 -2.052 -22.938 1.00 43.46 C ATOM 2577 N1 DT D 25 -1.728 -3.123 -23.951 1.00 43.78 N ATOM 2578 C2 DT D 25 -0.478 -3.223 -24.544 1.00 44.21 C ATOM 2579 O2 DT D 25 0.466 -2.489 -24.282 1.00 44.01 O ATOM 2580 N3 DT D 25 -0.370 -4.227 -25.480 1.00 43.95 N ATOM 2581 C4 DT D 25 -1.367 -5.119 -25.860 1.00 43.32 C ATOM 2582 O4 DT D 25 -1.198 -5.998 -26.690 1.00 42.96 O ATOM 2583 C5 DT D 25 -2.642 -4.958 -25.226 1.00 43.77 C ATOM 2584 C7 DT D 25 -3.764 -5.880 -25.614 1.00 40.80 C ATOM 2585 C6 DT D 25 -2.764 -3.976 -24.310 1.00 44.76 C ATOM 2586 P DT D 26 -2.855 1.868 -21.966 1.00 43.62 P ATOM 2587 OP1 DT D 26 -2.588 1.985 -20.513 1.00 41.78 O ATOM 2588 OP2 DT D 26 -3.247 3.064 -22.741 1.00 45.23 O ATOM 2589 O5' DT D 26 -1.564 1.310 -22.732 1.00 43.32 O ATOM 2590 C5' DT D 26 -0.307 1.242 -22.047 1.00 41.68 C ATOM 2591 C4' DT D 26 0.889 1.463 -22.959 1.00 39.56 C ATOM 2592 O4' DT D 26 0.948 0.463 -24.010 1.00 39.03 O ATOM 2593 C3' DT D 26 0.935 2.805 -23.676 1.00 38.10 C ATOM 2594 O3' DT D 26 2.304 3.225 -23.637 1.00 37.20 O ATOM 2595 C2' DT D 26 0.389 2.461 -25.063 1.00 37.52 C ATOM 2596 C1' DT D 26 1.038 1.099 -25.264 1.00 37.24 C ATOM 2597 N1 DT D 26 0.414 0.096 -26.134 1.00 36.54 N ATOM 2598 C2 DT D 26 1.251 -0.745 -26.837 1.00 37.61 C ATOM 2599 O2 DT D 26 2.472 -0.690 -26.821 1.00 38.05 O ATOM 2600 N3 DT D 26 0.609 -1.688 -27.586 1.00 37.36 N ATOM 2601 C4 DT D 26 -0.759 -1.848 -27.706 1.00 36.51 C ATOM 2602 O4 DT D 26 -1.241 -2.723 -28.416 1.00 38.25 O ATOM 2603 C5 DT D 26 -1.578 -0.961 -26.936 1.00 34.50 C ATOM 2604 C7 DT D 26 -3.071 -1.107 -26.980 1.00 30.42 C ATOM 2605 C6 DT D 26 -0.961 -0.041 -26.187 1.00 35.10 C ATOM 2606 P DT D 27 2.842 4.630 -24.184 1.00 35.75 P ATOM 2607 OP1 DT D 27 3.877 5.112 -23.239 1.00 31.82 O ATOM 2608 OP2 DT D 27 1.685 5.459 -24.583 1.00 35.62 O ATOM 2609 O5' DT D 27 3.594 4.185 -25.529 1.00 37.54 O ATOM 2610 C5' DT D 27 4.878 3.583 -25.396 1.00 37.50 C ATOM 2611 C4' DT D 27 5.297 2.898 -26.670 1.00 38.58 C ATOM 2612 O4' DT D 27 4.254 1.970 -27.074 1.00 37.60 O ATOM 2613 C3' DT D 27 5.524 3.877 -27.823 1.00 40.67 C ATOM 2614 O3' DT D 27 6.881 3.869 -28.247 1.00 42.51 O ATOM 2615 C2' DT D 27 4.605 3.375 -28.930 1.00 40.66 C ATOM 2616 C1' DT D 27 4.257 1.956 -28.481 1.00 39.19 C ATOM 2617 N1 DT D 27 2.927 1.531 -28.970 1.00 39.51 N ATOM 2618 C2 DT D 27 2.848 0.536 -29.928 1.00 40.68 C ATOM 2619 O2 DT D 27 3.820 -0.056 -30.398 1.00 39.56 O ATOM 2620 N3 DT D 27 1.554 0.256 -30.303 1.00 40.28 N ATOM 2621 C4 DT D 27 0.389 0.837 -29.838 1.00 38.64 C ATOM 2622 O4 DT D 27 -0.710 0.486 -30.242 1.00 38.81 O ATOM 2623 C5 DT D 27 0.550 1.875 -28.857 1.00 38.07 C ATOM 2624 C7 DT D 27 -0.641 2.627 -28.355 1.00 36.69 C ATOM 2625 C6 DT D 27 1.798 2.166 -28.474 1.00 38.91 C TER 2626 DT D 27 HETATM 2627 O HOH A 99 4.448 16.525 14.925 1.00 26.65 O HETATM 2628 O HOH A 100 6.703 21.679 14.258 1.00 34.51 O HETATM 2629 O HOH A 101 18.997 -1.348 4.150 1.00 21.98 O HETATM 2630 O HOH A 102 5.379 0.349 14.197 1.00 18.80 O HETATM 2631 O HOH A 103 15.564 17.557 -3.081 1.00 16.49 O HETATM 2632 O HOH A 104 22.093 4.094 -12.195 1.00 43.93 O HETATM 2633 O HOH A 105 16.187 -0.586 8.138 1.00 30.40 O HETATM 2634 O HOH A 106 15.242 6.047 -14.154 1.00 30.08 O HETATM 2635 O HOH B 99 32.358 24.255 -9.012 1.00 39.57 O HETATM 2636 O HOH B 100 25.227 12.524 -1.949 1.00 17.79 O HETATM 2637 O HOH B 101 10.193 -6.398 -9.563 1.00 5.87 O HETATM 2638 O HOH B 102 13.244 22.044 -2.198 1.00 26.10 O HETATM 2639 O HOH B 103 9.126 25.064 2.197 1.00 27.03 O HETATM 2640 O HOH B 104 -1.877 -3.309 1.339 1.00 25.79 O HETATM 2641 O HOH B 105 1.042 13.794 9.684 1.00 47.65 O HETATM 2642 O HOH B 106 0.724 13.173 26.012 1.00 61.19 O HETATM 2643 O HOH C 28 23.273 1.999 30.692 1.00 38.42 O HETATM 2644 O HOH C 29 21.902 -1.496 31.049 1.00 55.70 O HETATM 2645 O HOH C 34 16.340 -1.144 37.638 1.00 32.30 O HETATM 2646 O HOH D 28 15.688 -1.270 40.918 1.00 34.31 O HETATM 2647 O HOH D 29 13.513 -11.011 -12.408 1.00 33.39 O HETATM 2648 O HOH D 39 14.143 -8.940 40.198 1.00 47.73 O MASTER 411 0 0 9 4 0 0 6 2625 4 0 22 END
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Related entries of code: 3jr9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3iv5
RCSB PDB
PDBbind
27aa, >3IV5_3|Chain... *
3jrb
RCSB PDB
PDBbind
27aa, >3JRB_3|Chain... at 92%
3jrf
RCSB PDB
PDBbind
27aa, >3JRF_3|Chain... at 96%
4ihx
RCSB PDB
PDBbind
27aa, >4IHX_3|Chain... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3jra
RCSB PDB
PDBbind
27 -mer
3jrb
RCSB PDB
PDBbind
27 -mer
3jrd
RCSB PDB
PDBbind
27 -mer
3jre
RCSB PDB
PDBbind
27 -mer
3jrf
RCSB PDB
PDBbind
27 -mer
3jrg
RCSB PDB
PDBbind
27 -mer
3jrh
RCSB PDB
PDBbind
27 -mer
3jri
RCSB PDB
PDBbind
27 -mer
Entry Information
PDB ID
3jr9
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-binding protein fis
Ligand Name
27 -mer
EC.Number
E.C.-.-.-.-
Resolution
2.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.2nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Genes Dev. Vol. 24: pp. 814-826
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):
P0A6R3
Entrez Gene ID
NCBI Entrez Gene ID:
8911232
947697
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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