Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 08-SEP-09 3JRE TITLE CRYSTAL STRUCTURE OF FIS BOUND TO 27 BP DNA F26 CONTAINING A-TRACT AT TITLE 2 CENTER 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 3JRE 1 REMARK REVDAT 2 13-JUL-11 3JRE 1 VERSN REVDAT 1 28-APR-10 3JRE 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. 3.17 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) : 3.17 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 80.58 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 82.0 REMARK 3 NUMBER OF REFLECTIONS : 9418 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.210 REMARK 3 R VALUE (WORKING SET) : 0.209 REMARK 3 FREE R VALUE : 0.232 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 440 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) : 3.17 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.25 REMARK 3 REFLECTION IN BIN (WORKING SET) : 502 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 63.86 REMARK 3 BIN R VALUE (WORKING SET) : 0.2700 REMARK 3 BIN FREE R VALUE SET COUNT : 28 REMARK 3 BIN FREE R VALUE : 0.2060 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1505 REMARK 3 NUCLEIC ACID ATOMS : 1101 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 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) : 69.33 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): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.430 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.321 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 : 0.942 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.931 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2752 ; 0.014 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1523 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3942 ; 2.061 ; 2.470 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3785 ; 1.114 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 187 ; 5.966 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 75 ;41.800 ;25.600 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 303 ;18.497 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;19.309 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2210 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 274 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 520 ; 0.198 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1496 ; 0.203 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1168 ; 0.210 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1115 ; 0.096 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 34 ; 0.128 ; 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): 9 ; 0.121 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 23 ; 0.165 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 4 ; 0.257 ; 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): 12.9552 10.4742 8.9966 REMARK 3 T TENSOR REMARK 3 T11: -0.0619 T22: -0.0106 REMARK 3 T33: -0.0836 T12: 0.0348 REMARK 3 T13: 0.0204 T23: -0.0013 REMARK 3 L TENSOR REMARK 3 L11: 0.4268 L22: 1.3553 REMARK 3 L33: 1.0596 L12: -0.1325 REMARK 3 L13: 0.5700 L23: 0.4491 REMARK 3 S TENSOR REMARK 3 S11: -0.1602 S12: 0.0184 S13: 0.1119 REMARK 3 S21: 0.2700 S22: 0.1923 S23: -0.0866 REMARK 3 S31: 0.0119 S32: -0.0346 S33: -0.0322 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): 9.9779 10.9527 2.2129 REMARK 3 T TENSOR REMARK 3 T11: -0.0698 T22: -0.0415 REMARK 3 T33: -0.0377 T12: -0.0124 REMARK 3 T13: 0.0294 T23: -0.0463 REMARK 3 L TENSOR REMARK 3 L11: 0.5483 L22: 0.7961 REMARK 3 L33: 1.0915 L12: -0.0303 REMARK 3 L13: 0.0503 L23: -0.6862 REMARK 3 S TENSOR REMARK 3 S11: -0.1060 S12: -0.0837 S13: 0.1361 REMARK 3 S21: -0.0332 S22: 0.1437 S23: 0.1035 REMARK 3 S31: 0.0090 S32: -0.0141 S33: -0.0377 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): 11.6032 -10.7722 5.4462 REMARK 3 T TENSOR REMARK 3 T11: 0.0698 T22: -0.3047 REMARK 3 T33: -0.1309 T12: 0.0473 REMARK 3 T13: -0.1245 T23: -0.0421 REMARK 3 L TENSOR REMARK 3 L11: 0.9280 L22: 0.8733 REMARK 3 L33: 5.7752 L12: -0.1465 REMARK 3 L13: 1.3165 L23: -0.5637 REMARK 3 S TENSOR REMARK 3 S11: 0.3401 S12: 0.1999 S13: -0.4147 REMARK 3 S21: 0.0779 S22: 0.3332 S23: 0.1216 REMARK 3 S31: 0.6676 S32: 0.3606 S33: -0.6733 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): 10.6835 -10.7269 6.0677 REMARK 3 T TENSOR REMARK 3 T11: 0.0973 T22: -0.3572 REMARK 3 T33: -0.1796 T12: -0.0470 REMARK 3 T13: -0.1217 T23: -0.0121 REMARK 3 L TENSOR REMARK 3 L11: 1.0620 L22: 0.2092 REMARK 3 L33: 6.5784 L12: 0.1642 REMARK 3 L13: 1.6467 L23: 0.4063 REMARK 3 S TENSOR REMARK 3 S11: 0.2218 S12: -0.0420 S13: -0.3395 REMARK 3 S21: -0.0134 S22: 0.2084 S23: 0.0987 REMARK 3 S31: 0.4663 S32: -0.3563 S33: -0.4302 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 3JRE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-SEP-09. REMARK 100 THE DEPOSITION ID IS D_1000055063. 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 : 9497 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.150 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 (%) : 83.9 REMARK 200 DATA REDUNDANCY : 5.600 REMARK 200 R MERGE (I) : 0.19600 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 5.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.26 REMARK 200 COMPLETENESS FOR SHELL (%) : 86.1 REMARK 200 DATA REDUNDANCY IN SHELL : 5.70 REMARK 200 R MERGE FOR SHELL (I) : 0.71700 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: 3IV5 REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 69.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.08 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 21.81900 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 77.63600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 47.10750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 77.63600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.81900 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 47.10750 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: 8780 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19750 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DA C 2 O3' DA C 2 C3' -0.042 REMARK 500 DA C 16 C5 DA C 16 N7 -0.037 REMARK 500 DC D 21 O3' DC D 21 C3' -0.037 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA C 1 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA C 1 C3' - O3' - P ANGL. DEV. = 9.0 DEGREES REMARK 500 DA C 2 O5' - P - OP1 ANGL. DEV. = -7.7 DEGREES REMARK 500 DA C 2 C5' - C4' - C3' ANGL. DEV. = -11.4 DEGREES REMARK 500 DA C 3 C3' - C2' - C1' ANGL. DEV. = -4.9 DEGREES REMARK 500 DT C 6 N3 - C4 - O4 ANGL. DEV. = 5.5 DEGREES REMARK 500 DT C 6 C3' - O3' - P ANGL. DEV. = 7.7 DEGREES REMARK 500 DT C 8 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT C 8 N3 - C2 - O2 ANGL. DEV. = -3.9 DEGREES REMARK 500 DT C 9 C5 - C4 - O4 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT C 10 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG C 11 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DA C 12 O4' - C1' - C2' ANGL. DEV. = -5.2 DEGREES REMARK 500 DA C 16 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA C 19 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA C 19 C3' - O3' - P ANGL. DEV. = 13.1 DEGREES REMARK 500 DG C 20 O4' - C4' - C3' ANGL. DEV. = -5.7 DEGREES REMARK 500 DG C 20 C1' - O4' - C4' ANGL. DEV. = -6.3 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DC C 21 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT C 25 N1 - C1' - C2' ANGL. DEV. = 8.6 DEGREES REMARK 500 DT C 26 O4' - C4' - C3' ANGL. DEV. = -2.9 DEGREES REMARK 500 DT C 26 O4' - C1' - N1 ANGL. DEV. = -6.5 DEGREES REMARK 500 DA D 2 C3' - O3' - P ANGL. DEV. = 8.3 DEGREES REMARK 500 DT D 4 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DT D 5 C3' - C2' - C1' ANGL. DEV. = -5.1 DEGREES REMARK 500 DT D 6 N1 - C1' - C2' ANGL. DEV. = 8.5 DEGREES REMARK 500 DT D 6 O4' - C1' - N1 ANGL. DEV. = -5.2 DEGREES REMARK 500 DT D 6 N3 - C4 - O4 ANGL. DEV. = 4.4 DEGREES REMARK 500 DC D 8 O4' - C4' - C3' ANGL. DEV. = -2.8 DEGREES REMARK 500 DC D 8 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT D 9 C5 - C4 - O4 ANGL. DEV. = -4.5 DEGREES REMARK 500 DC D 10 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA D 11 O4' - C1' - N9 ANGL. DEV. = 7.7 DEGREES REMARK 500 DA D 11 C3' - O3' - P ANGL. DEV. = 8.5 DEGREES REMARK 500 DT D 12 N3 - C2 - O2 ANGL. DEV. = -4.1 DEGREES REMARK 500 DT D 13 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DT D 14 N3 - C2 - O2 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT D 14 C3' - O3' - P ANGL. DEV. = 11.6 DEGREES REMARK 500 DT D 15 N3 - C2 - O2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT D 15 C3' - O3' - P ANGL. DEV. = 8.2 DEGREES REMARK 500 DT D 16 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT D 16 N3 - C2 - O2 ANGL. DEV. = -5.3 DEGREES REMARK 500 DC D 17 O4' - C4' - C3' ANGL. DEV. = -5.2 DEGREES REMARK 500 DA D 18 C3' - O3' - P ANGL. DEV. = 8.1 DEGREES REMARK 500 DA D 19 O4' - C4' - C3' ANGL. DEV. = -3.7 DEGREES REMARK 500 DA D 20 O4' - C1' - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 DC D 21 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES REMARK 500 DA D 22 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA D 23 C3' - O3' - P ANGL. DEV. = 7.4 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 54 ANGLE DEVIATIONS. 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 ASP A 20 31.93 79.54 REMARK 500 ASN A 43 -114.75 -114.03 REMARK 500 GLN A 45 126.88 -31.01 REMARK 500 ASP A 49 89.01 -153.99 REMARK 500 ARG B 28 -54.44 -27.40 REMARK 500 ASN B 43 81.22 51.51 REMARK 500 ASN B 48 24.12 -142.21 REMARK 500 ASP B 49 35.35 -164.91 REMARK 500 ARG B 71 41.98 39.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3IV5 RELATED DB: PDB REMARK 900 RELATED ID: 3JR9 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: 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 3JRE A 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JRE B 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JRE C 1 27 PDB 3JRE 3JRE 1 27 DBREF 3JRE D 1 27 PDB 3JRE 3JRE 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 DG DA DA SEQRES 2 C 27 DA DA DA 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 DT DT SEQRES 2 D 27 DT DT DT DC DA DA DA DC DA DA DA DT DT SEQRES 3 D 27 DT HELIX 1 1 LEU A 27 GLN A 41 1 15 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 GLY A 96 1 13 HELIX 5 5 VAL B 6 VAL B 10 5 5 HELIX 6 6 LEU B 27 ASN B 43 1 17 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 LYS A 25 N VAL A 13 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 CRYST1 43.638 94.215 155.272 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 0.022916 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010614 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006440 0.00000 ATOM 1 N SER A 8 -5.730 16.916 13.773 1.00 85.44 N ATOM 2 CA SER A 8 -6.075 15.740 12.909 1.00 87.24 C ATOM 3 C SER A 8 -4.833 15.016 12.368 1.00 86.84 C ATOM 4 O SER A 8 -4.913 13.841 11.996 1.00 90.50 O ATOM 5 CB SER A 8 -6.975 16.163 11.728 1.00 89.72 C ATOM 6 OG SER A 8 -8.343 16.279 12.114 1.00 91.88 O ATOM 7 N ASP A 9 -3.697 15.711 12.338 1.00 82.60 N ATOM 8 CA ASP A 9 -2.482 15.214 11.690 1.00 79.65 C ATOM 9 C ASP A 9 -1.284 15.574 12.575 1.00 77.04 C ATOM 10 O ASP A 9 -0.902 16.744 12.659 1.00 78.48 O ATOM 11 CB ASP A 9 -2.362 15.850 10.292 1.00 79.62 C ATOM 12 CG ASP A 9 -1.335 15.169 9.404 1.00 80.40 C ATOM 13 OD1 ASP A 9 -0.842 14.046 9.722 1.00 79.55 O ATOM 14 OD2 ASP A 9 -1.037 15.784 8.357 1.00 78.79 O ATOM 15 N VAL A 10 -0.687 14.565 13.212 1.00 72.49 N ATOM 16 CA VAL A 10 0.274 14.776 14.303 1.00 69.78 C ATOM 17 C VAL A 10 1.736 15.141 13.932 1.00 67.11 C ATOM 18 O VAL A 10 2.476 15.630 14.779 1.00 67.93 O ATOM 19 CB VAL A 10 0.286 13.555 15.241 1.00 71.28 C ATOM 20 CG1 VAL A 10 -1.127 13.287 15.811 1.00 72.00 C ATOM 21 CG2 VAL A 10 0.816 12.317 14.518 1.00 73.35 C ATOM 22 N LEU A 11 2.162 14.939 12.688 1.00 64.91 N ATOM 23 CA LEU A 11 3.539 15.297 12.293 1.00 61.62 C ATOM 24 C LEU A 11 3.589 16.523 11.383 1.00 58.33 C ATOM 25 O LEU A 11 3.248 16.427 10.197 1.00 55.17 O ATOM 26 CB LEU A 11 4.204 14.110 11.595 1.00 60.84 C ATOM 27 CG LEU A 11 4.587 12.920 12.487 1.00 58.23 C ATOM 28 CD1 LEU A 11 4.689 11.631 11.661 1.00 58.11 C ATOM 29 CD2 LEU A 11 5.878 13.204 13.228 1.00 55.49 C ATOM 30 N THR A 12 4.030 17.659 11.934 1.00 56.56 N ATOM 31 CA THR A 12 4.037 18.939 11.193 1.00 55.01 C ATOM 32 C THR A 12 5.271 19.820 11.409 1.00 52.16 C ATOM 33 O THR A 12 6.010 19.623 12.346 1.00 51.44 O ATOM 34 CB THR A 12 2.877 19.784 11.599 1.00 54.03 C ATOM 35 OG1 THR A 12 3.236 20.482 12.801 1.00 55.60 O ATOM 36 CG2 THR A 12 1.622 18.905 11.789 1.00 52.92 C ATOM 37 N VAL A 13 5.460 20.808 10.536 1.00 51.91 N ATOM 38 CA VAL A 13 6.658 21.668 10.549 1.00 52.27 C ATOM 39 C VAL A 13 6.270 23.144 10.424 1.00 52.58 C ATOM 40 O VAL A 13 5.232 23.461 9.844 1.00 55.26 O ATOM 41 CB VAL A 13 7.621 21.323 9.389 1.00 50.00 C ATOM 42 CG1 VAL A 13 8.105 19.867 9.500 1.00 46.73 C ATOM 43 CG2 VAL A 13 6.950 21.623 8.030 1.00 46.04 C ATOM 44 N SER A 14 7.113 24.038 10.929 1.00 50.57 N ATOM 45 CA SER A 14 6.750 25.453 11.023 1.00 52.30 C ATOM 46 C SER A 14 7.149 26.291 9.809 1.00 52.38 C ATOM 47 O SER A 14 8.213 26.078 9.214 1.00 55.57 O ATOM 48 CB SER A 14 7.343 26.051 12.290 1.00 53.04 C ATOM 49 OG SER A 14 6.942 25.259 13.384 1.00 53.28 O ATOM 50 N THR A 15 6.294 27.259 9.475 1.00 48.81 N ATOM 51 CA THR A 15 6.392 27.992 8.232 1.00 50.10 C ATOM 52 C THR A 15 6.029 29.466 8.434 1.00 50.52 C ATOM 53 O THR A 15 5.049 29.760 9.097 1.00 50.63 O ATOM 54 CB THR A 15 5.430 27.383 7.170 1.00 50.22 C ATOM 55 OG1 THR A 15 4.201 28.112 7.149 1.00 52.83 O ATOM 56 CG2 THR A 15 5.104 25.921 7.462 1.00 48.44 C ATOM 57 N VAL A 16 6.794 30.393 7.846 1.00 53.29 N ATOM 58 CA VAL A 16 6.479 31.844 7.942 1.00 53.18 C ATOM 59 C VAL A 16 6.197 32.408 6.582 1.00 51.81 C ATOM 60 O VAL A 16 6.887 32.051 5.619 1.00 50.00 O ATOM 61 CB VAL A 16 7.622 32.719 8.587 1.00 51.73 C ATOM 62 CG1 VAL A 16 8.004 32.186 9.941 1.00 53.25 C ATOM 63 CG2 VAL A 16 8.834 32.762 7.717 1.00 50.03 C ATOM 64 N ASN A 17 5.212 33.301 6.516 1.00 51.93 N ATOM 65 CA ASN A 17 4.875 33.984 5.268 1.00 55.54 C ATOM 66 C ASN A 17 5.319 35.439 5.232 1.00 57.79 C ATOM 67 O ASN A 17 5.781 35.995 6.236 1.00 55.36 O ATOM 68 CB ASN A 17 3.370 33.892 4.967 1.00 55.49 C ATOM 69 CG ASN A 17 2.508 34.603 6.001 1.00 54.05 C ATOM 70 OD1 ASN A 17 2.961 35.499 6.709 1.00 47.12 O ATOM 71 ND2 ASN A 17 1.245 34.193 6.085 1.00 56.27 N ATOM 72 N SER A 18 5.153 36.050 4.058 1.00 61.52 N ATOM 73 CA SER A 18 5.571 37.431 3.824 1.00 60.67 C ATOM 74 C SER A 18 4.956 38.419 4.794 1.00 61.68 C ATOM 75 O SER A 18 5.599 39.382 5.118 1.00 63.54 O ATOM 76 CB SER A 18 5.233 37.848 2.406 1.00 59.85 C ATOM 77 OG SER A 18 3.864 37.619 2.170 1.00 63.04 O ATOM 78 N GLN A 19 3.723 38.196 5.249 1.00 65.62 N ATOM 79 CA GLN A 19 3.093 39.049 6.292 1.00 67.82 C ATOM 80 C GLN A 19 3.585 38.730 7.717 1.00 66.38 C ATOM 81 O GLN A 19 3.101 39.321 8.682 1.00 65.75 O ATOM 82 CB GLN A 19 1.547 38.970 6.251 1.00 72.40 C ATOM 83 CG GLN A 19 0.846 40.269 5.818 1.00 77.05 C ATOM 84 CD GLN A 19 -0.657 40.284 6.145 1.00 79.13 C ATOM 85 OE1 GLN A 19 -1.394 39.313 5.857 1.00 81.59 O ATOM 86 NE2 GLN A 19 -1.118 41.401 6.746 1.00 82.00 N ATOM 87 N ASP A 20 4.519 37.785 7.844 1.00 65.16 N ATOM 88 CA ASP A 20 5.252 37.537 9.092 1.00 62.26 C ATOM 89 C ASP A 20 4.477 36.721 10.122 1.00 57.50 C ATOM 90 O ASP A 20 4.681 36.872 11.308 1.00 54.47 O ATOM 91 CB ASP A 20 5.709 38.863 9.698 1.00 67.59 C ATOM 92 CG ASP A 20 7.172 38.861 10.051 1.00 73.03 C ATOM 93 OD1 ASP A 20 7.563 38.055 10.924 1.00 79.75 O ATOM 94 OD2 ASP A 20 7.929 39.669 9.452 1.00 75.95 O ATOM 95 N GLN A 21 3.627 35.817 9.651 1.00 55.03 N ATOM 96 CA GLN A 21 2.846 34.937 10.507 1.00 51.83 C ATOM 97 C GLN A 21 3.361 33.488 10.418 1.00 45.66 C ATOM 98 O GLN A 21 3.607 32.967 9.341 1.00 43.03 O ATOM 99 CB GLN A 21 1.383 34.987 10.072 1.00 52.57 C ATOM 100 CG GLN A 21 0.763 36.381 9.956 1.00 51.47 C ATOM 101 CD GLN A 21 -0.408 36.436 8.952 1.00 53.15 C ATOM 102 OE1 GLN A 21 -1.178 37.415 8.926 1.00 56.84 O ATOM 103 NE2 GLN A 21 -0.537 35.396 8.117 1.00 49.09 N ATOM 104 N VAL A 22 3.520 32.846 11.562 1.00 44.84 N ATOM 105 CA VAL A 22 3.965 31.455 11.619 1.00 46.34 C ATOM 106 C VAL A 22 2.740 30.536 11.579 1.00 48.63 C ATOM 107 O VAL A 22 1.643 30.937 11.960 1.00 52.58 O ATOM 108 CB VAL A 22 4.788 31.179 12.882 1.00 43.15 C ATOM 109 CG1 VAL A 22 4.903 29.690 13.132 1.00 43.24 C ATOM 110 CG2 VAL A 22 6.150 31.801 12.757 1.00 41.07 C ATOM 111 N THR A 23 2.922 29.307 11.108 1.00 48.34 N ATOM 112 CA THR A 23 1.799 28.450 10.772 1.00 48.34 C ATOM 113 C THR A 23 2.287 27.007 10.504 1.00 47.43 C ATOM 114 O THR A 23 3.403 26.817 10.026 1.00 46.60 O ATOM 115 CB THR A 23 1.012 29.059 9.558 1.00 50.06 C ATOM 116 OG1 THR A 23 0.238 28.034 8.924 1.00 53.99 O ATOM 117 CG2 THR A 23 1.965 29.752 8.484 1.00 50.36 C ATOM 118 N GLN A 24 1.476 25.995 10.828 1.00 48.33 N ATOM 119 CA GLN A 24 1.912 24.593 10.670 1.00 51.69 C ATOM 120 C GLN A 24 1.577 24.022 9.293 1.00 52.23 C ATOM 121 O GLN A 24 0.635 24.482 8.646 1.00 53.76 O ATOM 122 CB GLN A 24 1.311 23.664 11.755 1.00 53.33 C ATOM 123 CG GLN A 24 1.873 23.770 13.205 1.00 53.11 C ATOM 124 CD GLN A 24 3.346 24.148 13.277 1.00 54.43 C ATOM 125 OE1 GLN A 24 3.681 25.334 13.486 1.00 54.18 O ATOM 126 NE2 GLN A 24 4.239 23.153 13.092 1.00 53.13 N ATOM 127 N LYS A 25 2.373 23.040 8.853 1.00 53.20 N ATOM 128 CA LYS A 25 2.059 22.200 7.668 1.00 55.46 C ATOM 129 C LYS A 25 2.693 20.817 7.812 1.00 55.95 C ATOM 130 O LYS A 25 3.734 20.678 8.479 1.00 60.72 O ATOM 131 CB LYS A 25 2.545 22.816 6.344 1.00 57.93 C ATOM 132 CG LYS A 25 4.052 22.758 6.125 1.00 59.21 C ATOM 133 CD LYS A 25 4.493 22.938 4.683 1.00 59.12 C ATOM 134 CE LYS A 25 6.005 22.691 4.613 1.00 60.90 C ATOM 135 NZ LYS A 25 6.640 22.863 3.276 1.00 62.41 N ATOM 136 N PRO A 26 2.088 19.797 7.186 1.00 50.24 N ATOM 137 CA PRO A 26 2.558 18.412 7.287 1.00 50.54 C ATOM 138 C PRO A 26 4.014 18.142 6.848 1.00 51.00 C ATOM 139 O PRO A 26 4.509 18.768 5.923 1.00 52.17 O ATOM 140 CB PRO A 26 1.584 17.672 6.378 1.00 49.40 C ATOM 141 CG PRO A 26 0.381 18.530 6.351 1.00 48.76 C ATOM 142 CD PRO A 26 0.857 19.901 6.393 1.00 48.39 C ATOM 143 N LEU A 27 4.689 17.188 7.488 1.00 53.23 N ATOM 144 CA LEU A 27 6.036 16.780 7.027 1.00 53.16 C ATOM 145 C LEU A 27 5.969 16.297 5.589 1.00 53.83 C ATOM 146 O LEU A 27 6.866 16.585 4.796 1.00 57.24 O ATOM 147 CB LEU A 27 6.655 15.659 7.901 1.00 53.01 C ATOM 148 CG LEU A 27 8.159 15.363 7.679 1.00 50.86 C ATOM 149 CD1 LEU A 27 9.032 16.547 8.056 1.00 50.27 C ATOM 150 CD2 LEU A 27 8.595 14.162 8.459 1.00 47.89 C ATOM 151 N ARG A 28 4.903 15.569 5.272 1.00 51.41 N ATOM 152 CA ARG A 28 4.744 14.966 3.973 1.00 53.82 C ATOM 153 C ARG A 28 4.850 15.967 2.809 1.00 54.06 C ATOM 154 O ARG A 28 5.282 15.588 1.710 1.00 50.06 O ATOM 155 CB ARG A 28 3.429 14.205 3.929 1.00 54.33 C ATOM 156 CG ARG A 28 2.229 15.054 3.674 1.00 58.08 C ATOM 157 CD ARG A 28 1.038 14.182 3.336 1.00 62.07 C ATOM 158 NE ARG A 28 0.460 13.630 4.544 1.00 65.01 N ATOM 159 CZ ARG A 28 -0.477 14.232 5.282 1.00 68.09 C ATOM 160 NH1 ARG A 28 -0.995 15.407 4.945 1.00 68.42 N ATOM 161 NH2 ARG A 28 -0.922 13.645 6.379 1.00 70.28 N ATOM 162 N ASP A 29 4.479 17.234 3.064 1.00 56.03 N ATOM 163 CA ASP A 29 4.533 18.339 2.049 1.00 55.30 C ATOM 164 C ASP A 29 5.945 18.798 1.776 1.00 50.76 C ATOM 165 O ASP A 29 6.259 19.274 0.686 1.00 47.80 O ATOM 166 CB ASP A 29 3.718 19.567 2.496 1.00 60.23 C ATOM 167 CG ASP A 29 2.175 19.354 2.414 1.00 64.34 C ATOM 168 OD1 ASP A 29 1.440 20.364 2.529 1.00 67.32 O ATOM 169 OD2 ASP A 29 1.685 18.210 2.249 1.00 65.86 O ATOM 170 N SER A 30 6.771 18.671 2.802 1.00 48.90 N ATOM 171 CA SER A 30 8.210 18.868 2.702 1.00 50.87 C ATOM 172 C SER A 30 8.908 17.720 1.956 1.00 49.27 C ATOM 173 O SER A 30 9.840 17.931 1.172 1.00 43.36 O ATOM 174 CB SER A 30 8.800 18.982 4.120 1.00 50.39 C ATOM 175 OG SER A 30 7.929 19.705 4.962 1.00 49.27 O ATOM 176 N VAL A 31 8.482 16.493 2.242 1.00 50.48 N ATOM 177 CA VAL A 31 9.077 15.335 1.595 1.00 51.07 C ATOM 178 C VAL A 31 8.772 15.510 0.127 1.00 52.24 C ATOM 179 O VAL A 31 9.651 15.351 -0.723 1.00 51.13 O ATOM 180 CB VAL A 31 8.508 14.015 2.130 1.00 48.73 C ATOM 181 CG1 VAL A 31 9.241 12.820 1.554 1.00 45.96 C ATOM 182 CG2 VAL A 31 8.631 13.991 3.615 1.00 49.00 C ATOM 183 N LYS A 32 7.534 15.924 -0.144 1.00 53.56 N ATOM 184 CA LYS A 32 7.077 16.149 -1.505 1.00 55.03 C ATOM 185 C LYS A 32 7.867 17.229 -2.187 1.00 54.39 C ATOM 186 O LYS A 32 8.231 17.070 -3.342 1.00 54.20 O ATOM 187 CB LYS A 32 5.611 16.512 -1.519 1.00 57.78 C ATOM 188 CG LYS A 32 4.904 16.089 -2.767 1.00 60.26 C ATOM 189 CD LYS A 32 3.382 16.014 -2.526 1.00 62.34 C ATOM 190 CE LYS A 32 2.588 15.535 -3.788 1.00 65.55 C ATOM 191 NZ LYS A 32 1.114 15.158 -3.568 1.00 65.46 N ATOM 192 N GLN A 33 8.152 18.320 -1.478 1.00 55.43 N ATOM 193 CA GLN A 33 9.004 19.370 -2.055 1.00 55.00 C ATOM 194 C GLN A 33 10.380 18.851 -2.386 1.00 48.62 C ATOM 195 O GLN A 33 10.843 19.003 -3.481 1.00 45.88 O ATOM 196 CB GLN A 33 9.169 20.587 -1.141 1.00 57.65 C ATOM 197 CG GLN A 33 10.026 21.692 -1.829 1.00 59.86 C ATOM 198 CD GLN A 33 10.122 23.000 -1.038 1.00 62.30 C ATOM 199 OE1 GLN A 33 9.317 23.244 -0.134 1.00 68.49 O ATOM 200 NE2 GLN A 33 11.111 23.849 -1.381 1.00 60.56 N ATOM 201 N ALA A 34 11.020 18.241 -1.407 1.00 48.84 N ATOM 202 CA ALA A 34 12.366 17.714 -1.560 1.00 50.09 C ATOM 203 C ALA A 34 12.496 16.983 -2.900 1.00 51.80 C ATOM 204 O ALA A 34 13.362 17.301 -3.741 1.00 52.82 O ATOM 205 CB ALA A 34 12.668 16.776 -0.411 1.00 43.34 C ATOM 206 N LEU A 35 11.599 16.020 -3.073 1.00 49.93 N ATOM 207 CA LEU A 35 11.548 15.189 -4.233 1.00 49.51 C ATOM 208 C LEU A 35 11.147 15.987 -5.487 1.00 51.49 C ATOM 209 O LEU A 35 11.688 15.780 -6.574 1.00 53.36 O ATOM 210 CB LEU A 35 10.530 14.065 -3.985 1.00 48.12 C ATOM 211 CG LEU A 35 10.841 12.932 -3.003 1.00 43.89 C ATOM 212 CD1 LEU A 35 9.610 12.107 -2.772 1.00 40.20 C ATOM 213 CD2 LEU A 35 11.935 12.063 -3.525 1.00 41.60 C ATOM 214 N LYS A 36 10.192 16.894 -5.365 1.00 53.14 N ATOM 215 CA LYS A 36 9.859 17.717 -6.515 1.00 53.64 C ATOM 216 C LYS A 36 11.155 18.351 -7.025 1.00 52.01 C ATOM 217 O LYS A 36 11.395 18.500 -8.228 1.00 47.62 O ATOM 218 CB LYS A 36 8.832 18.775 -6.149 1.00 54.14 C ATOM 219 CG LYS A 36 7.796 18.896 -7.240 1.00 60.38 C ATOM 220 CD LYS A 36 6.658 19.856 -6.911 1.00 62.30 C ATOM 221 CE LYS A 36 5.503 19.153 -6.194 1.00 65.93 C ATOM 222 NZ LYS A 36 4.462 20.142 -5.751 1.00 67.09 N ATOM 223 N ASN A 37 12.017 18.664 -6.069 1.00 53.69 N ATOM 224 CA ASN A 37 13.284 19.291 -6.341 1.00 54.51 C ATOM 225 C ASN A 37 14.335 18.350 -6.847 1.00 50.55 C ATOM 226 O ASN A 37 15.132 18.712 -7.682 1.00 49.76 O ATOM 227 CB ASN A 37 13.828 19.995 -5.092 1.00 59.08 C ATOM 228 CG ASN A 37 14.829 21.061 -5.444 1.00 62.56 C ATOM 229 OD1 ASN A 37 14.560 21.910 -6.296 1.00 65.04 O ATOM 230 ND2 ASN A 37 16.008 21.000 -4.843 1.00 65.82 N ATOM 231 N TYR A 38 14.368 17.151 -6.311 1.00 50.92 N ATOM 232 CA TYR A 38 15.366 16.166 -6.738 1.00 51.40 C ATOM 233 C TYR A 38 15.273 15.981 -8.257 1.00 50.69 C ATOM 234 O TYR A 38 16.281 16.116 -9.001 1.00 44.85 O ATOM 235 CB TYR A 38 15.142 14.848 -5.972 1.00 50.46 C ATOM 236 CG TYR A 38 16.168 13.764 -6.183 1.00 50.80 C ATOM 237 CD1 TYR A 38 17.525 14.030 -6.276 1.00 52.28 C ATOM 238 CD2 TYR A 38 15.772 12.438 -6.263 1.00 53.54 C ATOM 239 CE1 TYR A 38 18.468 12.969 -6.475 1.00 52.64 C ATOM 240 CE2 TYR A 38 16.693 11.379 -6.443 1.00 51.75 C ATOM 241 CZ TYR A 38 18.029 11.644 -6.549 1.00 52.01 C ATOM 242 OH TYR A 38 18.886 10.567 -6.736 1.00 52.43 O ATOM 243 N PHE A 39 14.027 15.749 -8.683 1.00 50.51 N ATOM 244 CA PHE A 39 13.684 15.347 -10.030 1.00 49.73 C ATOM 245 C PHE A 39 13.875 16.408 -11.031 1.00 49.35 C ATOM 246 O PHE A 39 14.160 16.115 -12.168 1.00 48.17 O ATOM 247 CB PHE A 39 12.213 15.024 -10.110 1.00 54.10 C ATOM 248 CG PHE A 39 11.819 13.741 -9.462 1.00 54.39 C ATOM 249 CD1 PHE A 39 10.610 13.643 -8.829 1.00 56.09 C ATOM 250 CD2 PHE A 39 12.621 12.635 -9.515 1.00 56.23 C ATOM 251 CE1 PHE A 39 10.221 12.478 -8.259 1.00 57.59 C ATOM 252 CE2 PHE A 39 12.236 11.473 -8.940 1.00 57.02 C ATOM 253 CZ PHE A 39 11.036 11.393 -8.310 1.00 57.37 C ATOM 254 N ALA A 40 13.598 17.636 -10.620 1.00 54.59 N ATOM 255 CA ALA A 40 13.772 18.807 -11.461 1.00 56.25 C ATOM 256 C ALA A 40 15.227 18.941 -11.809 1.00 55.71 C ATOM 257 O ALA A 40 15.577 19.130 -12.971 1.00 51.52 O ATOM 258 CB ALA A 40 13.315 20.031 -10.722 1.00 53.23 C ATOM 259 N GLN A 41 16.073 18.814 -10.789 1.00 61.78 N ATOM 260 CA GLN A 41 17.511 19.039 -10.944 1.00 68.19 C ATOM 261 C GLN A 41 18.209 17.858 -11.626 1.00 70.56 C ATOM 262 O GLN A 41 19.406 17.939 -11.895 1.00 74.83 O ATOM 263 CB GLN A 41 18.201 19.377 -9.600 1.00 71.39 C ATOM 264 CG GLN A 41 18.209 20.876 -9.173 1.00 73.95 C ATOM 265 CD GLN A 41 18.922 21.121 -7.792 1.00 77.27 C ATOM 266 OE1 GLN A 41 18.634 20.457 -6.770 1.00 79.43 O ATOM 267 NE2 GLN A 41 19.843 22.092 -7.774 1.00 81.82 N ATOM 268 N LEU A 42 17.481 16.769 -11.886 1.00 71.03 N ATOM 269 CA LEU A 42 17.933 15.729 -12.829 1.00 69.36 C ATOM 270 C LEU A 42 17.403 16.059 -14.206 1.00 71.49 C ATOM 271 O LEU A 42 16.417 16.771 -14.346 1.00 75.79 O ATOM 272 CB LEU A 42 17.370 14.355 -12.458 1.00 68.30 C ATOM 273 CG LEU A 42 17.942 13.553 -11.283 1.00 67.84 C ATOM 274 CD1 LEU A 42 17.201 12.182 -11.125 1.00 64.71 C ATOM 275 CD2 LEU A 42 19.443 13.369 -11.467 1.00 67.02 C ATOM 276 N ASN A 43 18.043 15.550 -15.239 1.00 71.66 N ATOM 277 CA ASN A 43 17.352 15.454 -16.491 1.00 71.71 C ATOM 278 C ASN A 43 17.213 14.007 -16.753 1.00 72.82 C ATOM 279 O ASN A 43 16.547 13.353 -15.978 1.00 77.39 O ATOM 280 CB ASN A 43 18.037 16.235 -17.579 1.00 73.17 C ATOM 281 CG ASN A 43 17.593 17.682 -17.590 1.00 75.42 C ATOM 282 OD1 ASN A 43 17.657 18.349 -18.629 1.00 75.72 O ATOM 283 ND2 ASN A 43 17.109 18.175 -16.436 1.00 74.22 N ATOM 284 N GLY A 44 17.836 13.466 -17.785 1.00 74.47 N ATOM 285 CA GLY A 44 17.563 12.064 -18.157 1.00 73.53 C ATOM 286 C GLY A 44 18.010 11.074 -17.097 1.00 72.28 C ATOM 287 O GLY A 44 17.326 10.098 -16.811 1.00 74.03 O ATOM 288 N GLN A 45 19.169 11.373 -16.521 1.00 70.00 N ATOM 289 CA GLN A 45 19.908 10.496 -15.611 1.00 67.72 C ATOM 290 C GLN A 45 18.978 9.602 -14.806 1.00 68.31 C ATOM 291 O GLN A 45 18.051 10.108 -14.186 1.00 65.99 O ATOM 292 CB GLN A 45 20.761 11.354 -14.668 1.00 64.40 C ATOM 293 CG GLN A 45 21.126 12.723 -15.226 1.00 59.79 C ATOM 294 CD GLN A 45 21.945 13.503 -14.282 1.00 58.49 C ATOM 295 OE1 GLN A 45 21.520 14.549 -13.838 1.00 56.06 O ATOM 296 NE2 GLN A 45 23.120 12.999 -13.938 1.00 53.76 N ATOM 297 N ASP A 46 19.195 8.287 -14.819 1.00 68.95 N ATOM 298 CA ASP A 46 18.267 7.417 -14.101 1.00 71.41 C ATOM 299 C ASP A 46 18.590 7.417 -12.637 1.00 66.38 C ATOM 300 O ASP A 46 19.603 7.977 -12.237 1.00 58.12 O ATOM 301 CB ASP A 46 18.129 5.975 -14.674 1.00 79.96 C ATOM 302 CG ASP A 46 19.473 5.311 -15.054 1.00 84.78 C ATOM 303 OD1 ASP A 46 19.999 5.649 -16.149 1.00 87.63 O ATOM 304 OD2 ASP A 46 19.949 4.408 -14.303 1.00 85.66 O ATOM 305 N VAL A 47 17.661 6.841 -11.868 1.00 68.15 N ATOM 306 CA VAL A 47 17.736 6.702 -10.413 1.00 73.52 C ATOM 307 C VAL A 47 17.760 5.204 -10.090 1.00 74.19 C ATOM 308 O VAL A 47 16.847 4.513 -10.461 1.00 75.75 O ATOM 309 CB VAL A 47 16.491 7.335 -9.712 1.00 73.77 C ATOM 310 CG1 VAL A 47 16.656 7.305 -8.181 1.00 74.74 C ATOM 311 CG2 VAL A 47 16.242 8.771 -10.201 1.00 72.81 C ATOM 312 N ASN A 48 18.781 4.697 -9.405 1.00 77.96 N ATOM 313 CA ASN A 48 18.883 3.247 -9.199 1.00 79.27 C ATOM 314 C ASN A 48 18.059 2.747 -7.966 1.00 81.79 C ATOM 315 O ASN A 48 17.341 1.727 -8.060 1.00 82.74 O ATOM 316 CB ASN A 48 20.371 2.807 -9.129 1.00 82.40 C ATOM 317 CG ASN A 48 20.603 1.315 -9.552 1.00 82.93 C ATOM 318 OD1 ASN A 48 21.382 0.569 -8.918 1.00 83.25 O ATOM 319 ND2 ASN A 48 19.940 0.899 -10.625 1.00 84.48 N ATOM 320 N ASP A 49 18.148 3.450 -6.828 1.00 78.67 N ATOM 321 CA ASP A 49 17.520 2.963 -5.575 1.00 76.26 C ATOM 322 C ASP A 49 17.162 4.090 -4.592 1.00 69.16 C ATOM 323 O ASP A 49 17.921 4.473 -3.701 1.00 67.92 O ATOM 324 CB ASP A 49 18.384 1.884 -4.915 1.00 79.07 C ATOM 325 CG ASP A 49 19.828 1.941 -5.376 1.00 82.66 C ATOM 326 OD1 ASP A 49 20.432 3.052 -5.342 1.00 85.25 O ATOM 327 OD2 ASP A 49 20.333 0.875 -5.810 1.00 83.94 O ATOM 328 N LEU A 50 15.953 4.588 -4.779 1.00 60.41 N ATOM 329 CA LEU A 50 15.481 5.772 -4.142 1.00 54.62 C ATOM 330 C LEU A 50 14.775 5.403 -2.860 1.00 54.42 C ATOM 331 O LEU A 50 14.652 6.249 -1.970 1.00 57.66 O ATOM 332 CB LEU A 50 14.547 6.486 -5.114 1.00 52.33 C ATOM 333 CG LEU A 50 13.959 7.839 -4.752 1.00 53.19 C ATOM 334 CD1 LEU A 50 15.006 8.887 -4.358 1.00 52.09 C ATOM 335 CD2 LEU A 50 13.164 8.302 -5.929 1.00 51.54 C ATOM 336 N TYR A 51 14.320 4.152 -2.745 1.00 52.90 N ATOM 337 CA TYR A 51 13.584 3.727 -1.556 1.00 53.36 C ATOM 338 C TYR A 51 14.518 3.618 -0.384 1.00 55.76 C ATOM 339 O TYR A 51 14.127 3.890 0.734 1.00 58.39 O ATOM 340 CB TYR A 51 12.839 2.407 -1.743 1.00 52.28 C ATOM 341 CG TYR A 51 12.089 2.021 -0.498 1.00 51.78 C ATOM 342 CD1 TYR A 51 10.842 2.544 -0.221 1.00 53.41 C ATOM 343 CD2 TYR A 51 12.666 1.193 0.442 1.00 52.62 C ATOM 344 CE1 TYR A 51 10.167 2.215 0.957 1.00 53.43 C ATOM 345 CE2 TYR A 51 12.022 0.866 1.613 1.00 53.05 C ATOM 346 CZ TYR A 51 10.771 1.368 1.868 1.00 53.47 C ATOM 347 OH TYR A 51 10.145 1.008 3.035 1.00 52.83 O ATOM 348 N GLU A 52 15.759 3.225 -0.641 1.00 61.40 N ATOM 349 CA GLU A 52 16.795 3.150 0.399 1.00 59.46 C ATOM 350 C GLU A 52 17.286 4.514 0.822 1.00 57.13 C ATOM 351 O GLU A 52 17.664 4.722 1.970 1.00 56.57 O ATOM 352 CB GLU A 52 18.007 2.446 -0.156 1.00 65.99 C ATOM 353 CG GLU A 52 18.994 2.081 0.896 1.00 69.52 C ATOM 354 CD GLU A 52 18.689 0.746 1.469 1.00 76.07 C ATOM 355 OE1 GLU A 52 18.285 -0.149 0.678 1.00 77.79 O ATOM 356 OE2 GLU A 52 18.874 0.598 2.705 1.00 83.75 O ATOM 357 N LEU A 53 17.354 5.401 -0.160 1.00 53.91 N ATOM 358 CA LEU A 53 17.867 6.738 0.018 1.00 52.98 C ATOM 359 C LEU A 53 16.977 7.495 0.951 1.00 50.40 C ATOM 360 O LEU A 53 17.449 8.028 1.947 1.00 51.92 O ATOM 361 CB LEU A 53 17.938 7.453 -1.327 1.00 52.09 C ATOM 362 CG LEU A 53 18.318 8.918 -1.313 1.00 51.61 C ATOM 363 CD1 LEU A 53 19.571 9.134 -0.472 1.00 52.07 C ATOM 364 CD2 LEU A 53 18.501 9.401 -2.738 1.00 50.88 C ATOM 365 N VAL A 54 15.691 7.538 0.632 1.00 49.52 N ATOM 366 CA VAL A 54 14.769 8.331 1.423 1.00 50.73 C ATOM 367 C VAL A 54 14.638 7.696 2.778 1.00 49.83 C ATOM 368 O VAL A 54 14.632 8.382 3.767 1.00 51.32 O ATOM 369 CB VAL A 54 13.388 8.489 0.770 1.00 51.00 C ATOM 370 CG1 VAL A 54 12.381 8.969 1.780 1.00 51.14 C ATOM 371 CG2 VAL A 54 13.465 9.494 -0.349 1.00 51.27 C ATOM 372 N LEU A 55 14.565 6.379 2.822 1.00 51.23 N ATOM 373 CA LEU A 55 14.504 5.667 4.087 1.00 51.12 C ATOM 374 C LEU A 55 15.681 6.064 4.971 1.00 50.54 C ATOM 375 O LEU A 55 15.488 6.317 6.147 1.00 50.68 O ATOM 376 CB LEU A 55 14.533 4.149 3.843 1.00 54.52 C ATOM 377 CG LEU A 55 13.959 3.206 4.906 1.00 55.71 C ATOM 378 CD1 LEU A 55 12.408 3.328 4.914 1.00 57.74 C ATOM 379 CD2 LEU A 55 14.411 1.767 4.663 1.00 52.87 C ATOM 380 N ALA A 56 16.889 6.109 4.400 1.00 50.91 N ATOM 381 CA ALA A 56 18.107 6.485 5.123 1.00 50.46 C ATOM 382 C ALA A 56 17.941 7.862 5.696 1.00 54.42 C ATOM 383 O ALA A 56 18.280 8.134 6.835 1.00 58.57 O ATOM 384 CB ALA A 56 19.267 6.493 4.205 1.00 47.90 C ATOM 385 N GLU A 57 17.392 8.747 4.901 1.00 58.35 N ATOM 386 CA GLU A 57 17.296 10.119 5.309 1.00 60.49 C ATOM 387 C GLU A 57 16.251 10.307 6.405 1.00 57.81 C ATOM 388 O GLU A 57 16.272 11.298 7.093 1.00 59.50 O ATOM 389 CB GLU A 57 16.993 10.988 4.074 1.00 68.07 C ATOM 390 CG GLU A 57 17.431 12.470 4.181 1.00 70.51 C ATOM 391 CD GLU A 57 18.956 12.744 3.970 1.00 75.94 C ATOM 392 OE1 GLU A 57 19.759 11.770 3.828 1.00 76.81 O ATOM 393 OE2 GLU A 57 19.329 13.967 3.955 1.00 75.19 O ATOM 394 N VAL A 58 15.351 9.351 6.579 1.00 57.74 N ATOM 395 CA VAL A 58 14.271 9.449 7.578 1.00 58.66 C ATOM 396 C VAL A 58 14.490 8.561 8.808 1.00 58.63 C ATOM 397 O VAL A 58 14.051 8.917 9.901 1.00 58.40 O ATOM 398 CB VAL A 58 12.887 9.121 6.943 1.00 57.52 C ATOM 399 CG1 VAL A 58 11.796 8.885 8.009 1.00 54.92 C ATOM 400 CG2 VAL A 58 12.490 10.245 5.996 1.00 57.64 C ATOM 401 N GLU A 59 15.161 7.424 8.645 1.00 58.47 N ATOM 402 CA GLU A 59 15.492 6.577 9.792 1.00 61.88 C ATOM 403 C GLU A 59 16.555 7.177 10.726 1.00 61.16 C ATOM 404 O GLU A 59 16.504 6.961 11.937 1.00 59.93 O ATOM 405 CB GLU A 59 15.956 5.188 9.347 1.00 65.80 C ATOM 406 CG GLU A 59 14.827 4.262 8.848 1.00 69.44 C ATOM 407 CD GLU A 59 15.225 2.769 8.825 1.00 69.55 C ATOM 408 OE1 GLU A 59 16.319 2.427 8.328 1.00 70.27 O ATOM 409 OE2 GLU A 59 14.432 1.937 9.315 1.00 73.68 O ATOM 410 N GLN A 60 17.520 7.913 10.180 1.00 59.95 N ATOM 411 CA GLN A 60 18.568 8.495 11.024 1.00 59.38 C ATOM 412 C GLN A 60 18.021 9.497 12.057 1.00 55.00 C ATOM 413 O GLN A 60 18.168 9.272 13.245 1.00 53.39 O ATOM 414 CB GLN A 60 19.719 9.063 10.185 1.00 61.09 C ATOM 415 CG GLN A 60 20.624 7.952 9.622 1.00 62.36 C ATOM 416 CD GLN A 60 21.727 8.462 8.672 1.00 64.68 C ATOM 417 OE1 GLN A 60 21.476 8.741 7.485 1.00 66.38 O ATOM 418 NE2 GLN A 60 22.959 8.547 9.185 1.00 65.58 N ATOM 419 N PRO A 61 17.312 10.544 11.630 1.00 53.97 N ATOM 420 CA PRO A 61 16.813 11.480 12.637 1.00 55.17 C ATOM 421 C PRO A 61 15.640 10.949 13.475 1.00 54.59 C ATOM 422 O PRO A 61 15.279 11.578 14.459 1.00 55.84 O ATOM 423 CB PRO A 61 16.379 12.696 11.820 1.00 54.70 C ATOM 424 CG PRO A 61 16.051 12.162 10.494 1.00 55.52 C ATOM 425 CD PRO A 61 16.867 10.909 10.281 1.00 56.00 C ATOM 426 N LEU A 62 15.053 9.816 13.105 1.00 51.90 N ATOM 427 CA LEU A 62 14.092 9.171 13.984 1.00 50.63 C ATOM 428 C LEU A 62 14.818 8.468 15.082 1.00 49.54 C ATOM 429 O LEU A 62 14.471 8.607 16.228 1.00 53.42 O ATOM 430 CB LEU A 62 13.247 8.150 13.248 1.00 49.30 C ATOM 431 CG LEU A 62 12.238 7.410 14.121 1.00 48.27 C ATOM 432 CD1 LEU A 62 11.497 8.372 15.018 1.00 44.64 C ATOM 433 CD2 LEU A 62 11.261 6.605 13.254 1.00 48.15 C ATOM 434 N LEU A 63 15.817 7.683 14.732 1.00 50.41 N ATOM 435 CA LEU A 63 16.576 6.950 15.740 1.00 53.87 C ATOM 436 C LEU A 63 17.279 7.922 16.702 1.00 55.70 C ATOM 437 O LEU A 63 17.245 7.784 17.924 1.00 55.81 O ATOM 438 CB LEU A 63 17.616 6.025 15.067 1.00 52.95 C ATOM 439 CG LEU A 63 17.191 4.807 14.213 1.00 48.84 C ATOM 440 CD1 LEU A 63 18.400 4.277 13.450 1.00 44.12 C ATOM 441 CD2 LEU A 63 16.535 3.717 15.069 1.00 44.68 C ATOM 442 N ASP A 64 17.911 8.926 16.138 1.00 60.86 N ATOM 443 CA ASP A 64 18.645 9.871 16.946 1.00 61.51 C ATOM 444 C ASP A 64 17.714 10.571 17.954 1.00 60.44 C ATOM 445 O ASP A 64 18.072 10.779 19.104 1.00 60.53 O ATOM 446 CB ASP A 64 19.337 10.866 16.015 1.00 67.19 C ATOM 447 CG ASP A 64 20.058 11.951 16.753 1.00 70.76 C ATOM 448 OD1 ASP A 64 20.049 13.090 16.226 1.00 78.16 O ATOM 449 OD2 ASP A 64 20.604 11.679 17.856 1.00 76.35 O ATOM 450 N MET A 65 16.514 10.909 17.512 1.00 58.23 N ATOM 451 CA MET A 65 15.554 11.577 18.361 1.00 56.68 C ATOM 452 C MET A 65 14.962 10.699 19.410 1.00 54.41 C ATOM 453 O MET A 65 14.659 11.206 20.454 1.00 56.72 O ATOM 454 CB MET A 65 14.391 12.140 17.548 1.00 58.48 C ATOM 455 CG MET A 65 14.720 13.406 16.788 1.00 58.77 C ATOM 456 SD MET A 65 15.153 14.728 17.927 1.00 60.09 S ATOM 457 CE MET A 65 15.357 16.096 16.794 1.00 61.35 C ATOM 458 N VAL A 66 14.738 9.412 19.173 1.00 53.04 N ATOM 459 CA VAL A 66 14.103 8.643 20.247 1.00 56.33 C ATOM 460 C VAL A 66 15.108 8.190 21.287 1.00 57.94 C ATOM 461 O VAL A 66 14.746 7.969 22.439 1.00 59.91 O ATOM 462 CB VAL A 66 13.312 7.409 19.809 1.00 54.87 C ATOM 463 CG1 VAL A 66 12.654 7.627 18.462 1.00 55.80 C ATOM 464 CG2 VAL A 66 14.196 6.214 19.829 1.00 52.57 C ATOM 465 N MET A 67 16.361 8.043 20.886 1.00 58.77 N ATOM 466 CA MET A 67 17.391 7.654 21.821 1.00 59.84 C ATOM 467 C MET A 67 17.800 8.822 22.672 1.00 62.99 C ATOM 468 O MET A 67 18.299 8.640 23.773 1.00 68.61 O ATOM 469 CB MET A 67 18.581 7.138 21.072 1.00 62.38 C ATOM 470 CG MET A 67 18.253 5.867 20.319 1.00 65.51 C ATOM 471 SD MET A 67 17.867 4.490 21.416 1.00 67.09 S ATOM 472 CE MET A 67 19.539 3.913 21.763 1.00 65.88 C ATOM 473 N GLN A 68 17.601 10.030 22.163 1.00 63.16 N ATOM 474 CA GLN A 68 17.727 11.226 22.973 1.00 60.60 C ATOM 475 C GLN A 68 16.589 11.196 23.978 1.00 60.01 C ATOM 476 O GLN A 68 16.825 11.275 25.180 1.00 62.15 O ATOM 477 CB GLN A 68 17.636 12.462 22.097 1.00 60.77 C ATOM 478 CG GLN A 68 18.541 13.590 22.503 1.00 63.55 C ATOM 479 CD GLN A 68 18.931 14.469 21.313 1.00 66.06 C ATOM 480 OE1 GLN A 68 19.661 14.010 20.409 1.00 71.89 O ATOM 481 NE2 GLN A 68 18.445 15.731 21.296 1.00 62.21 N ATOM 482 N TYR A 69 15.367 11.022 23.481 1.00 58.68 N ATOM 483 CA TYR A 69 14.172 10.939 24.324 1.00 58.48 C ATOM 484 C TYR A 69 14.143 9.825 25.371 1.00 57.95 C ATOM 485 O TYR A 69 13.807 10.102 26.496 1.00 56.53 O ATOM 486 CB TYR A 69 12.932 10.765 23.469 1.00 60.76 C ATOM 487 CG TYR A 69 11.659 10.954 24.248 1.00 60.25 C ATOM 488 CD1 TYR A 69 11.219 12.226 24.560 1.00 61.44 C ATOM 489 CD2 TYR A 69 10.896 9.872 24.664 1.00 60.67 C ATOM 490 CE1 TYR A 69 10.048 12.442 25.265 1.00 62.13 C ATOM 491 CE2 TYR A 69 9.719 10.066 25.372 1.00 62.15 C ATOM 492 CZ TYR A 69 9.297 11.371 25.675 1.00 63.02 C ATOM 493 OH TYR A 69 8.135 11.625 26.384 1.00 61.89 O ATOM 494 N THR A 70 14.431 8.567 25.006 1.00 59.21 N ATOM 495 CA THR A 70 14.410 7.436 25.984 1.00 58.62 C ATOM 496 C THR A 70 15.728 7.292 26.724 1.00 58.65 C ATOM 497 O THR A 70 16.022 6.229 27.274 1.00 55.59 O ATOM 498 CB THR A 70 14.112 6.048 25.333 1.00 57.15 C ATOM 499 OG1 THR A 70 15.131 5.731 24.380 1.00 57.36 O ATOM 500 CG2 THR A 70 12.777 6.037 24.648 1.00 57.40 C ATOM 501 N ARG A 71 16.533 8.350 26.699 1.00 60.93 N ATOM 502 CA ARG A 71 17.802 8.388 27.391 1.00 61.73 C ATOM 503 C ARG A 71 18.690 7.200 27.094 1.00 58.48 C ATOM 504 O ARG A 71 19.358 6.699 27.971 1.00 57.58 O ATOM 505 CB ARG A 71 17.546 8.470 28.880 1.00 69.22 C ATOM 506 CG ARG A 71 18.539 9.334 29.573 1.00 77.10 C ATOM 507 CD ARG A 71 18.266 10.794 29.248 1.00 83.49 C ATOM 508 NE ARG A 71 16.965 11.240 29.752 1.00 86.32 N ATOM 509 CZ ARG A 71 16.747 11.729 30.971 1.00 88.44 C ATOM 510 NH1 ARG A 71 17.738 11.827 31.851 1.00 89.87 N ATOM 511 NH2 ARG A 71 15.522 12.119 31.314 1.00 89.58 N ATOM 512 N GLY A 72 18.688 6.754 25.845 1.00 58.54 N ATOM 513 CA GLY A 72 19.495 5.615 25.408 1.00 56.67 C ATOM 514 C GLY A 72 18.946 4.253 25.796 1.00 54.55 C ATOM 515 O GLY A 72 19.635 3.264 25.618 1.00 55.34 O ATOM 516 N ASN A 73 17.721 4.196 26.321 1.00 50.67 N ATOM 517 CA ASN A 73 17.114 2.937 26.710 1.00 50.76 C ATOM 518 C ASN A 73 16.643 2.212 25.469 1.00 51.03 C ATOM 519 O ASN A 73 15.548 2.441 24.983 1.00 52.76 O ATOM 520 CB ASN A 73 15.945 3.179 27.671 1.00 49.63 C ATOM 521 CG ASN A 73 15.314 1.879 28.216 1.00 48.75 C ATOM 522 OD1 ASN A 73 15.401 0.808 27.611 1.00 46.28 O ATOM 523 ND2 ASN A 73 14.650 1.994 29.360 1.00 47.21 N ATOM 524 N GLN A 74 17.479 1.319 24.958 1.00 53.16 N ATOM 525 CA GLN A 74 17.124 0.516 23.793 1.00 53.74 C ATOM 526 C GLN A 74 15.785 -0.211 23.919 1.00 51.65 C ATOM 527 O GLN A 74 15.086 -0.382 22.941 1.00 52.40 O ATOM 528 CB GLN A 74 18.225 -0.487 23.500 1.00 54.47 C ATOM 529 CG GLN A 74 19.505 0.154 22.995 1.00 56.95 C ATOM 530 CD GLN A 74 20.579 -0.884 22.684 1.00 60.30 C ATOM 531 OE1 GLN A 74 21.505 -1.073 23.485 1.00 67.62 O ATOM 532 NE2 GLN A 74 20.438 -1.600 21.549 1.00 57.49 N ATOM 533 N THR A 75 15.425 -0.636 25.115 1.00 51.85 N ATOM 534 CA THR A 75 14.220 -1.429 25.284 1.00 54.66 C ATOM 535 C THR A 75 12.963 -0.536 25.174 1.00 57.83 C ATOM 536 O THR A 75 12.038 -0.883 24.446 1.00 61.89 O ATOM 537 CB THR A 75 14.280 -2.273 26.594 1.00 50.14 C ATOM 538 OG1 THR A 75 15.581 -2.857 26.699 1.00 47.48 O ATOM 539 CG2 THR A 75 13.234 -3.377 26.598 1.00 46.82 C ATOM 540 N ARG A 76 12.937 0.609 25.856 1.00 60.23 N ATOM 541 CA ARG A 76 11.771 1.530 25.791 1.00 61.44 C ATOM 542 C ARG A 76 11.642 2.105 24.366 1.00 59.20 C ATOM 543 O ARG A 76 10.542 2.215 23.821 1.00 58.52 O ATOM 544 CB ARG A 76 11.827 2.642 26.895 1.00 64.20 C ATOM 545 CG ARG A 76 11.258 2.166 28.273 1.00 67.24 C ATOM 546 CD ARG A 76 11.611 3.028 29.511 1.00 69.95 C ATOM 547 NE ARG A 76 11.669 4.471 29.248 1.00 74.96 N ATOM 548 CZ ARG A 76 10.614 5.271 29.019 1.00 77.56 C ATOM 549 NH1 ARG A 76 9.374 4.780 28.997 1.00 80.53 N ATOM 550 NH2 ARG A 76 10.791 6.581 28.800 1.00 74.75 N ATOM 551 N ALA A 77 12.782 2.422 23.760 1.00 55.91 N ATOM 552 CA ALA A 77 12.844 2.841 22.368 1.00 54.40 C ATOM 553 C ALA A 77 12.065 1.892 21.444 1.00 53.73 C ATOM 554 O ALA A 77 11.045 2.279 20.883 1.00 54.12 O ATOM 555 CB ALA A 77 14.288 2.938 21.936 1.00 53.07 C ATOM 556 N ALA A 78 12.539 0.650 21.315 1.00 52.72 N ATOM 557 CA ALA A 78 11.869 -0.389 20.523 1.00 50.74 C ATOM 558 C ALA A 78 10.367 -0.478 20.797 1.00 49.85 C ATOM 559 O ALA A 78 9.568 -0.595 19.869 1.00 48.77 O ATOM 560 CB ALA A 78 12.523 -1.719 20.765 1.00 45.75 C ATOM 561 N LEU A 79 9.985 -0.402 22.069 1.00 52.41 N ATOM 562 CA LEU A 79 8.578 -0.568 22.466 1.00 55.32 C ATOM 563 C LEU A 79 7.777 0.625 22.024 1.00 57.93 C ATOM 564 O LEU A 79 6.612 0.497 21.644 1.00 59.39 O ATOM 565 CB LEU A 79 8.432 -0.720 23.983 1.00 54.24 C ATOM 566 CG LEU A 79 9.222 -1.830 24.688 1.00 53.93 C ATOM 567 CD1 LEU A 79 9.510 -1.377 26.116 1.00 53.84 C ATOM 568 CD2 LEU A 79 8.538 -3.183 24.655 1.00 49.39 C ATOM 569 N MET A 80 8.422 1.786 22.115 1.00 61.04 N ATOM 570 CA MET A 80 7.853 3.056 21.704 1.00 60.83 C ATOM 571 C MET A 80 7.611 3.059 20.183 1.00 60.00 C ATOM 572 O MET A 80 6.589 3.559 19.721 1.00 58.39 O ATOM 573 CB MET A 80 8.795 4.179 22.139 1.00 62.04 C ATOM 574 CG MET A 80 8.208 5.565 22.106 1.00 64.91 C ATOM 575 SD MET A 80 9.190 6.803 23.041 1.00 69.80 S ATOM 576 CE MET A 80 8.276 8.343 22.694 1.00 64.66 C ATOM 577 N MET A 81 8.523 2.447 19.420 1.00 60.04 N ATOM 578 CA MET A 81 8.437 2.414 17.943 1.00 59.05 C ATOM 579 C MET A 81 7.579 1.270 17.407 1.00 57.21 C ATOM 580 O MET A 81 7.110 1.297 16.263 1.00 54.29 O ATOM 581 CB MET A 81 9.818 2.259 17.326 1.00 57.63 C ATOM 582 CG MET A 81 10.865 3.139 17.904 1.00 59.58 C ATOM 583 SD MET A 81 12.269 3.289 16.792 1.00 64.78 S ATOM 584 CE MET A 81 11.760 4.727 15.872 1.00 67.50 C ATOM 585 N GLY A 82 7.415 0.239 18.218 1.00 56.13 N ATOM 586 CA GLY A 82 6.723 -0.950 17.766 1.00 56.18 C ATOM 587 C GLY A 82 7.564 -1.928 16.960 1.00 54.79 C ATOM 588 O GLY A 82 7.003 -2.785 16.271 1.00 55.28 O ATOM 589 N ILE A 83 8.892 -1.831 17.050 1.00 53.06 N ATOM 590 CA ILE A 83 9.772 -2.835 16.419 1.00 52.47 C ATOM 591 C ILE A 83 10.534 -3.696 17.436 1.00 51.73 C ATOM 592 O ILE A 83 10.645 -3.333 18.622 1.00 48.60 O ATOM 593 CB ILE A 83 10.775 -2.217 15.391 1.00 50.53 C ATOM 594 CG1 ILE A 83 11.683 -1.172 16.028 1.00 48.44 C ATOM 595 CG2 ILE A 83 10.025 -1.611 14.238 1.00 51.87 C ATOM 596 CD1 ILE A 83 12.943 -0.957 15.246 1.00 48.63 C ATOM 597 N ASN A 84 11.054 -4.821 16.942 1.00 49.72 N ATOM 598 CA ASN A 84 11.737 -5.787 17.773 1.00 50.66 C ATOM 599 C ASN A 84 13.043 -5.259 18.290 1.00 48.27 C ATOM 600 O ASN A 84 13.748 -4.579 17.574 1.00 46.58 O ATOM 601 CB ASN A 84 12.004 -7.060 16.980 1.00 55.70 C ATOM 602 CG ASN A 84 12.367 -8.258 17.874 1.00 57.98 C ATOM 603 OD1 ASN A 84 13.508 -8.739 17.841 1.00 60.42 O ATOM 604 ND2 ASN A 84 11.390 -8.750 18.662 1.00 59.13 N ATOM 605 N ARG A 85 13.375 -5.618 19.527 1.00 48.83 N ATOM 606 CA ARG A 85 14.582 -5.114 20.203 1.00 49.83 C ATOM 607 C ARG A 85 15.846 -5.446 19.415 1.00 50.12 C ATOM 608 O ARG A 85 16.829 -4.727 19.447 1.00 48.76 O ATOM 609 CB ARG A 85 14.663 -5.709 21.604 1.00 49.27 C ATOM 610 CG ARG A 85 15.809 -5.214 22.456 1.00 51.29 C ATOM 611 CD ARG A 85 15.761 -5.753 23.931 1.00 52.82 C ATOM 612 NE ARG A 85 16.821 -6.737 24.205 1.00 53.53 N ATOM 613 CZ ARG A 85 16.631 -8.035 24.475 1.00 56.96 C ATOM 614 NH1 ARG A 85 15.407 -8.560 24.551 1.00 58.82 N ATOM 615 NH2 ARG A 85 17.675 -8.831 24.696 1.00 56.66 N ATOM 616 N GLY A 86 15.800 -6.550 18.690 1.00 52.12 N ATOM 617 CA GLY A 86 16.921 -6.965 17.868 1.00 52.17 C ATOM 618 C GLY A 86 16.985 -6.191 16.582 1.00 50.25 C ATOM 619 O GLY A 86 18.067 -5.779 16.144 1.00 47.67 O ATOM 620 N THR A 87 15.821 -6.019 15.969 1.00 50.33 N ATOM 621 CA THR A 87 15.713 -5.106 14.847 1.00 52.31 C ATOM 622 C THR A 87 16.371 -3.765 15.196 1.00 52.84 C ATOM 623 O THR A 87 17.172 -3.244 14.411 1.00 50.63 O ATOM 624 CB THR A 87 14.250 -4.899 14.429 1.00 53.20 C ATOM 625 OG1 THR A 87 13.754 -6.126 13.876 1.00 56.18 O ATOM 626 CG2 THR A 87 14.119 -3.778 13.391 1.00 52.36 C ATOM 627 N LEU A 88 16.074 -3.241 16.388 1.00 51.28 N ATOM 628 CA LEU A 88 16.536 -1.918 16.753 1.00 50.46 C ATOM 629 C LEU A 88 18.053 -1.898 16.801 1.00 52.89 C ATOM 630 O LEU A 88 18.669 -0.947 16.324 1.00 54.60 O ATOM 631 CB LEU A 88 15.924 -1.470 18.079 1.00 49.18 C ATOM 632 CG LEU A 88 16.426 -0.192 18.783 1.00 48.77 C ATOM 633 CD1 LEU A 88 16.779 0.917 17.813 1.00 48.36 C ATOM 634 CD2 LEU A 88 15.398 0.307 19.806 1.00 46.69 C ATOM 635 N ARG A 89 18.670 -2.953 17.322 1.00 53.90 N ATOM 636 CA ARG A 89 20.131 -2.939 17.448 1.00 56.05 C ATOM 637 C ARG A 89 20.721 -2.879 16.073 1.00 56.54 C ATOM 638 O ARG A 89 21.578 -2.037 15.800 1.00 56.83 O ATOM 639 CB ARG A 89 20.674 -4.175 18.148 1.00 58.19 C ATOM 640 CG ARG A 89 19.784 -4.748 19.224 1.00 62.15 C ATOM 641 CD ARG A 89 20.587 -5.555 20.221 1.00 64.95 C ATOM 642 NE ARG A 89 21.282 -4.682 21.182 1.00 70.16 N ATOM 643 CZ ARG A 89 22.566 -4.782 21.543 1.00 69.42 C ATOM 644 NH1 ARG A 89 23.353 -5.734 21.047 1.00 69.08 N ATOM 645 NH2 ARG A 89 23.064 -3.929 22.430 1.00 66.86 N ATOM 646 N LYS A 90 20.216 -3.774 15.218 1.00 56.99 N ATOM 647 CA LYS A 90 20.660 -3.944 13.841 1.00 56.47 C ATOM 648 C LYS A 90 20.655 -2.630 13.041 1.00 55.75 C ATOM 649 O LYS A 90 21.632 -2.296 12.350 1.00 52.14 O ATOM 650 CB LYS A 90 19.760 -4.975 13.174 1.00 58.37 C ATOM 651 CG LYS A 90 20.246 -5.469 11.826 1.00 60.35 C ATOM 652 CD LYS A 90 19.171 -6.360 11.107 1.00 62.38 C ATOM 653 CE LYS A 90 19.304 -6.340 9.541 1.00 62.50 C ATOM 654 NZ LYS A 90 18.088 -6.821 8.826 1.00 61.03 N ATOM 655 N LYS A 91 19.559 -1.876 13.149 1.00 56.64 N ATOM 656 CA LYS A 91 19.442 -0.573 12.467 1.00 54.09 C ATOM 657 C LYS A 91 20.411 0.404 13.051 1.00 50.94 C ATOM 658 O LYS A 91 20.808 1.316 12.357 1.00 50.86 O ATOM 659 CB LYS A 91 18.026 0.030 12.548 1.00 53.92 C ATOM 660 CG LYS A 91 16.942 -0.841 11.890 1.00 57.23 C ATOM 661 CD LYS A 91 15.599 -0.119 11.531 1.00 57.02 C ATOM 662 CE LYS A 91 14.651 -1.054 10.674 1.00 57.22 C ATOM 663 NZ LYS A 91 15.184 -1.390 9.294 1.00 57.57 N ATOM 664 N LEU A 92 20.770 0.244 14.322 1.00 47.98 N ATOM 665 CA LEU A 92 21.658 1.203 14.943 1.00 52.02 C ATOM 666 C LEU A 92 23.018 0.944 14.392 1.00 52.28 C ATOM 667 O LEU A 92 23.776 1.877 14.129 1.00 48.36 O ATOM 668 CB LEU A 92 21.657 1.124 16.482 1.00 51.23 C ATOM 669 CG LEU A 92 20.461 1.745 17.235 1.00 48.79 C ATOM 670 CD1 LEU A 92 20.425 1.262 18.671 1.00 44.89 C ATOM 671 CD2 LEU A 92 20.476 3.259 17.167 1.00 45.51 C ATOM 672 N LYS A 93 23.306 -0.338 14.205 1.00 60.48 N ATOM 673 CA LYS A 93 24.548 -0.787 13.574 1.00 63.18 C ATOM 674 C LYS A 93 24.677 -0.286 12.122 1.00 64.65 C ATOM 675 O LYS A 93 25.747 0.221 11.728 1.00 61.17 O ATOM 676 CB LYS A 93 24.635 -2.332 13.631 1.00 69.13 C ATOM 677 CG LYS A 93 25.953 -2.986 13.111 1.00 71.33 C ATOM 678 CD LYS A 93 27.016 -3.222 14.209 1.00 76.26 C ATOM 679 CE LYS A 93 27.158 -2.006 15.198 1.00 80.15 C ATOM 680 NZ LYS A 93 27.225 -0.624 14.562 1.00 80.67 N ATOM 681 N LYS A 94 23.589 -0.421 11.345 1.00 64.99 N ATOM 682 CA LYS A 94 23.547 0.087 9.961 1.00 64.15 C ATOM 683 C LYS A 94 23.973 1.527 9.905 1.00 59.97 C ATOM 684 O LYS A 94 24.695 1.915 9.033 1.00 59.64 O ATOM 685 CB LYS A 94 22.158 -0.040 9.316 1.00 64.91 C ATOM 686 CG LYS A 94 22.120 0.400 7.839 1.00 66.46 C ATOM 687 CD LYS A 94 20.710 0.391 7.184 1.00 67.65 C ATOM 688 CE LYS A 94 20.205 -1.037 6.810 1.00 70.90 C ATOM 689 NZ LYS A 94 19.724 -1.207 5.343 1.00 70.68 N ATOM 690 N TYR A 95 23.538 2.326 10.844 1.00 61.50 N ATOM 691 CA TYR A 95 23.873 3.729 10.785 1.00 66.14 C ATOM 692 C TYR A 95 25.083 4.091 11.595 1.00 66.15 C ATOM 693 O TYR A 95 25.524 5.235 11.559 1.00 63.83 O ATOM 694 CB TYR A 95 22.666 4.565 11.187 1.00 66.12 C ATOM 695 CG TYR A 95 21.561 4.394 10.186 1.00 65.49 C ATOM 696 CD1 TYR A 95 21.776 4.681 8.844 1.00 65.19 C ATOM 697 CD2 TYR A 95 20.322 3.913 10.566 1.00 65.53 C ATOM 698 CE1 TYR A 95 20.790 4.513 7.920 1.00 66.10 C ATOM 699 CE2 TYR A 95 19.316 3.748 9.645 1.00 65.22 C ATOM 700 CZ TYR A 95 19.559 4.046 8.326 1.00 65.83 C ATOM 701 OH TYR A 95 18.564 3.890 7.404 1.00 66.32 O ATOM 702 N GLY A 96 25.630 3.111 12.299 1.00 68.79 N ATOM 703 CA GLY A 96 26.811 3.329 13.117 1.00 71.37 C ATOM 704 C GLY A 96 26.604 4.418 14.148 1.00 71.53 C ATOM 705 O GLY A 96 27.333 5.402 14.154 1.00 67.59 O ATOM 706 N MET A 97 25.585 4.249 14.989 1.00 75.15 N ATOM 707 CA MET A 97 25.354 5.125 16.146 1.00 78.95 C ATOM 708 C MET A 97 25.077 4.227 17.327 1.00 81.65 C ATOM 709 O MET A 97 23.936 3.827 17.529 1.00 83.07 O ATOM 710 CB MET A 97 24.175 6.101 15.921 1.00 79.52 C ATOM 711 CG MET A 97 22.946 5.533 15.157 1.00 80.28 C ATOM 712 SD MET A 97 21.676 6.751 14.652 1.00 79.05 S ATOM 713 CE MET A 97 20.929 7.125 16.251 1.00 81.46 C ATOM 714 N ASN A 98 26.123 3.875 18.078 1.00 85.09 N ATOM 715 CA ASN A 98 25.981 2.971 19.246 1.00 86.70 C ATOM 716 C ASN A 98 27.109 3.092 20.294 1.00 90.88 C ATOM 717 O ASN A 98 28.243 2.634 20.088 1.00 95.04 O ATOM 718 CB ASN A 98 25.790 1.491 18.811 1.00 85.79 C ATOM 719 CG ASN A 98 26.524 1.140 17.518 1.00 84.29 C ATOM 720 OD1 ASN A 98 25.961 1.230 16.435 1.00 84.91 O ATOM 721 ND2 ASN A 98 27.772 0.730 17.634 1.00 83.18 N TER 722 ASN A 98 ATOM 723 N MET B 1 36.933 20.220 -11.658 1.00 86.82 N ATOM 724 CA MET B 1 36.079 19.046 -11.279 1.00 87.33 C ATOM 725 C MET B 1 34.679 19.513 -10.789 1.00 84.55 C ATOM 726 O MET B 1 34.224 20.615 -11.141 1.00 82.14 O ATOM 727 CB MET B 1 36.803 18.128 -10.241 1.00 91.61 C ATOM 728 CG MET B 1 37.898 17.168 -10.813 1.00 94.76 C ATOM 729 SD MET B 1 37.406 15.864 -12.030 1.00 99.04 S ATOM 730 CE MET B 1 36.365 14.731 -11.084 1.00 99.23 C ATOM 731 N PHE B 2 33.999 18.656 -10.017 1.00 80.12 N ATOM 732 CA PHE B 2 32.643 18.907 -9.543 1.00 77.46 C ATOM 733 C PHE B 2 32.672 19.119 -8.057 1.00 70.67 C ATOM 734 O PHE B 2 33.367 18.411 -7.338 1.00 69.88 O ATOM 735 CB PHE B 2 31.740 17.703 -9.845 1.00 76.42 C ATOM 736 CG PHE B 2 31.821 17.237 -11.264 1.00 76.85 C ATOM 737 CD1 PHE B 2 32.581 16.130 -11.600 1.00 76.66 C ATOM 738 CD2 PHE B 2 31.162 17.924 -12.273 1.00 76.24 C ATOM 739 CE1 PHE B 2 32.672 15.713 -12.912 1.00 75.91 C ATOM 740 CE2 PHE B 2 31.259 17.510 -13.584 1.00 75.52 C ATOM 741 CZ PHE B 2 32.013 16.409 -13.900 1.00 75.13 C ATOM 742 N GLU B 3 31.898 20.070 -7.581 1.00 64.88 N ATOM 743 CA GLU B 3 31.871 20.284 -6.174 1.00 64.92 C ATOM 744 C GLU B 3 31.186 19.121 -5.505 1.00 62.27 C ATOM 745 O GLU B 3 30.285 18.511 -6.065 1.00 59.22 O ATOM 746 CB GLU B 3 31.203 21.603 -5.849 1.00 67.08 C ATOM 747 CG GLU B 3 32.163 22.750 -5.997 1.00 70.05 C ATOM 748 CD GLU B 3 31.481 24.098 -6.000 1.00 72.80 C ATOM 749 OE1 GLU B 3 30.801 24.426 -4.988 1.00 74.34 O ATOM 750 OE2 GLU B 3 31.654 24.832 -7.015 1.00 77.25 O ATOM 751 N GLN B 4 31.646 18.798 -4.303 1.00 62.54 N ATOM 752 CA GLN B 4 31.077 17.695 -3.528 1.00 62.14 C ATOM 753 C GLN B 4 29.666 17.982 -2.997 1.00 62.35 C ATOM 754 O GLN B 4 29.436 19.034 -2.396 1.00 62.55 O ATOM 755 CB GLN B 4 31.972 17.378 -2.333 1.00 62.42 C ATOM 756 CG GLN B 4 31.271 16.517 -1.288 1.00 62.17 C ATOM 757 CD GLN B 4 32.189 16.075 -0.199 1.00 61.84 C ATOM 758 OE1 GLN B 4 32.915 16.890 0.399 1.00 62.82 O ATOM 759 NE2 GLN B 4 32.170 14.776 0.081 1.00 58.19 N ATOM 760 N ARG B 5 28.742 17.035 -3.199 1.00 60.35 N ATOM 761 CA ARG B 5 27.399 17.104 -2.611 1.00 58.29 C ATOM 762 C ARG B 5 27.150 15.920 -1.712 1.00 57.94 C ATOM 763 O ARG B 5 26.865 14.792 -2.155 1.00 58.20 O ATOM 764 CB ARG B 5 26.285 17.177 -3.658 1.00 56.89 C ATOM 765 CG ARG B 5 24.874 17.208 -3.039 1.00 57.18 C ATOM 766 CD ARG B 5 23.842 17.862 -3.944 1.00 57.31 C ATOM 767 NE ARG B 5 23.866 19.329 -3.925 1.00 56.03 N ATOM 768 CZ ARG B 5 23.353 20.108 -4.884 1.00 58.08 C ATOM 769 NH1 ARG B 5 22.776 19.590 -5.954 1.00 61.21 N ATOM 770 NH2 ARG B 5 23.400 21.428 -4.790 1.00 59.01 N ATOM 771 N VAL B 6 27.246 16.205 -0.426 1.00 59.19 N ATOM 772 CA VAL B 6 26.893 15.251 0.601 1.00 58.81 C ATOM 773 C VAL B 6 25.418 14.839 0.498 1.00 60.00 C ATOM 774 O VAL B 6 24.590 15.516 -0.116 1.00 58.38 O ATOM 775 CB VAL B 6 27.213 15.823 1.991 1.00 56.94 C ATOM 776 CG1 VAL B 6 28.721 15.799 2.220 1.00 54.67 C ATOM 777 CG2 VAL B 6 26.639 17.255 2.143 1.00 53.92 C ATOM 778 N ASN B 7 25.103 13.718 1.121 1.00 61.51 N ATOM 779 CA ASN B 7 23.802 13.113 0.973 1.00 62.08 C ATOM 780 C ASN B 7 22.755 13.807 1.764 1.00 63.37 C ATOM 781 O ASN B 7 21.587 13.788 1.399 1.00 66.74 O ATOM 782 CB ASN B 7 23.897 11.691 1.415 1.00 63.86 C ATOM 783 CG ASN B 7 24.981 10.987 0.708 1.00 66.24 C ATOM 784 OD1 ASN B 7 25.637 10.132 1.287 1.00 63.95 O ATOM 785 ND2 ASN B 7 25.231 11.385 -0.569 1.00 70.00 N ATOM 786 N SER B 8 23.179 14.416 2.858 1.00 65.11 N ATOM 787 CA SER B 8 22.331 15.308 3.609 1.00 66.87 C ATOM 788 C SER B 8 21.794 16.443 2.737 1.00 69.34 C ATOM 789 O SER B 8 20.707 16.935 3.012 1.00 75.16 O ATOM 790 CB SER B 8 23.087 15.856 4.814 1.00 67.08 C ATOM 791 OG SER B 8 24.481 15.897 4.563 1.00 67.53 O ATOM 792 N ASP B 9 22.524 16.820 1.682 1.00 68.42 N ATOM 793 CA ASP B 9 22.120 17.903 0.756 1.00 67.07 C ATOM 794 C ASP B 9 21.467 17.482 -0.579 1.00 63.15 C ATOM 795 O ASP B 9 21.202 18.338 -1.421 1.00 61.88 O ATOM 796 CB ASP B 9 23.350 18.762 0.419 1.00 75.23 C ATOM 797 CG ASP B 9 23.254 20.186 0.950 1.00 80.60 C ATOM 798 OD1 ASP B 9 22.895 20.386 2.151 1.00 84.85 O ATOM 799 OD2 ASP B 9 23.574 21.098 0.141 1.00 83.37 O ATOM 800 N VAL B 10 21.226 16.188 -0.780 1.00 58.97 N ATOM 801 CA VAL B 10 20.496 15.691 -1.968 1.00 55.88 C ATOM 802 C VAL B 10 18.948 15.947 -1.949 1.00 54.00 C ATOM 803 O VAL B 10 18.321 16.171 -2.987 1.00 50.59 O ATOM 804 CB VAL B 10 20.787 14.204 -2.181 1.00 51.39 C ATOM 805 CG1 VAL B 10 19.961 13.665 -3.317 1.00 49.91 C ATOM 806 CG2 VAL B 10 22.255 14.022 -2.459 1.00 50.91 C ATOM 807 N LEU B 11 18.337 15.906 -0.772 1.00 53.91 N ATOM 808 CA LEU B 11 16.921 16.260 -0.622 1.00 52.61 C ATOM 809 C LEU B 11 16.826 17.487 0.322 1.00 55.00 C ATOM 810 O LEU B 11 17.180 17.371 1.497 1.00 57.12 O ATOM 811 CB LEU B 11 16.134 15.048 -0.070 1.00 45.61 C ATOM 812 CG LEU B 11 16.003 13.785 -0.959 1.00 40.69 C ATOM 813 CD1 LEU B 11 15.998 12.426 -0.214 1.00 37.71 C ATOM 814 CD2 LEU B 11 14.758 13.884 -1.802 1.00 42.21 C ATOM 815 N THR B 12 16.376 18.648 -0.180 1.00 54.53 N ATOM 816 CA THR B 12 16.331 19.871 0.635 1.00 52.81 C ATOM 817 C THR B 12 15.065 20.718 0.473 1.00 52.49 C ATOM 818 O THR B 12 14.331 20.585 -0.488 1.00 53.72 O ATOM 819 CB THR B 12 17.547 20.761 0.337 1.00 54.87 C ATOM 820 OG1 THR B 12 17.431 21.353 -0.964 1.00 54.62 O ATOM 821 CG2 THR B 12 18.828 19.946 0.402 1.00 56.79 C ATOM 822 N VAL B 13 14.846 21.627 1.412 1.00 53.53 N ATOM 823 CA VAL B 13 13.613 22.406 1.491 1.00 53.70 C ATOM 824 C VAL B 13 13.943 23.914 1.677 1.00 55.02 C ATOM 825 O VAL B 13 14.970 24.254 2.259 1.00 55.26 O ATOM 826 CB VAL B 13 12.758 21.865 2.673 1.00 53.23 C ATOM 827 CG1 VAL B 13 11.416 22.548 2.744 1.00 54.85 C ATOM 828 CG2 VAL B 13 12.559 20.367 2.536 1.00 51.72 C ATOM 829 N SER B 14 13.076 24.808 1.191 1.00 55.01 N ATOM 830 CA SER B 14 13.265 26.260 1.354 1.00 54.20 C ATOM 831 C SER B 14 12.959 26.740 2.750 1.00 53.40 C ATOM 832 O SER B 14 11.868 26.508 3.266 1.00 53.20 O ATOM 833 CB SER B 14 12.344 27.035 0.427 1.00 55.42 C ATOM 834 OG SER B 14 12.476 26.553 -0.882 1.00 59.16 O ATOM 835 N THR B 15 13.911 27.465 3.322 1.00 54.00 N ATOM 836 CA THR B 15 13.798 28.034 4.657 1.00 55.18 C ATOM 837 C THR B 15 14.134 29.538 4.613 1.00 54.83 C ATOM 838 O THR B 15 14.817 29.993 3.694 1.00 54.17 O ATOM 839 CB THR B 15 14.809 27.349 5.608 1.00 56.70 C ATOM 840 OG1 THR B 15 16.100 27.948 5.432 1.00 60.69 O ATOM 841 CG2 THR B 15 14.929 25.855 5.325 1.00 52.80 C ATOM 842 N VAL B 16 13.681 30.293 5.614 1.00 55.28 N ATOM 843 CA VAL B 16 14.061 31.705 5.772 1.00 57.66 C ATOM 844 C VAL B 16 14.934 31.890 7.024 1.00 60.66 C ATOM 845 O VAL B 16 14.621 31.331 8.078 1.00 63.06 O ATOM 846 CB VAL B 16 12.810 32.605 5.870 1.00 54.55 C ATOM 847 CG1 VAL B 16 13.193 34.036 6.236 1.00 53.90 C ATOM 848 CG2 VAL B 16 12.059 32.592 4.567 1.00 53.12 C ATOM 849 N ASN B 17 16.018 32.669 6.912 1.00 64.04 N ATOM 850 CA ASN B 17 16.982 32.860 8.031 1.00 67.01 C ATOM 851 C ASN B 17 16.774 34.128 8.878 1.00 70.48 C ATOM 852 O ASN B 17 15.921 34.969 8.565 1.00 71.78 O ATOM 853 CB ASN B 17 18.434 32.808 7.520 1.00 66.23 C ATOM 854 CG ASN B 17 18.852 34.067 6.761 1.00 65.33 C ATOM 855 OD1 ASN B 17 18.014 34.865 6.341 1.00 63.43 O ATOM 856 ND2 ASN B 17 20.161 34.244 6.584 1.00 64.37 N ATOM 857 N SER B 18 17.576 34.260 9.939 1.00 74.50 N ATOM 858 CA SER B 18 17.473 35.395 10.877 1.00 76.50 C ATOM 859 C SER B 18 17.777 36.760 10.232 1.00 78.49 C ATOM 860 O SER B 18 17.452 37.794 10.813 1.00 78.75 O ATOM 861 CB SER B 18 18.353 35.170 12.130 1.00 78.35 C ATOM 862 OG SER B 18 19.637 34.628 11.813 1.00 79.49 O ATOM 863 N GLN B 19 18.394 36.759 9.044 1.00 80.13 N ATOM 864 CA GLN B 19 18.566 37.976 8.214 1.00 79.83 C ATOM 865 C GLN B 19 17.520 38.053 7.092 1.00 78.50 C ATOM 866 O GLN B 19 17.675 38.842 6.154 1.00 75.49 O ATOM 867 CB GLN B 19 19.984 38.034 7.604 1.00 82.49 C ATOM 868 CG GLN B 19 21.105 38.501 8.558 1.00 84.67 C ATOM 869 CD GLN B 19 21.514 37.466 9.625 1.00 86.30 C ATOM 870 OE1 GLN B 19 21.152 36.282 9.544 1.00 88.08 O ATOM 871 NE2 GLN B 19 22.286 37.920 10.631 1.00 84.60 N ATOM 872 N ASP B 20 16.482 37.214 7.187 1.00 79.70 N ATOM 873 CA ASP B 20 15.333 37.243 6.277 1.00 78.75 C ATOM 874 C ASP B 20 15.740 36.882 4.827 1.00 76.34 C ATOM 875 O ASP B 20 15.329 37.536 3.854 1.00 75.81 O ATOM 876 CB ASP B 20 14.660 38.639 6.364 1.00 84.81 C ATOM 877 CG ASP B 20 13.126 38.607 6.130 1.00 87.12 C ATOM 878 OD1 ASP B 20 12.501 37.526 6.264 1.00 90.48 O ATOM 879 OD2 ASP B 20 12.542 39.688 5.837 1.00 90.39 O ATOM 880 N GLN B 21 16.539 35.823 4.701 1.00 72.35 N ATOM 881 CA GLN B 21 17.108 35.385 3.417 1.00 69.26 C ATOM 882 C GLN B 21 16.718 33.925 3.121 1.00 66.26 C ATOM 883 O GLN B 21 16.697 33.074 4.029 1.00 61.77 O ATOM 884 CB GLN B 21 18.637 35.506 3.462 1.00 67.69 C ATOM 885 CG GLN B 21 19.296 35.898 2.146 1.00 65.77 C ATOM 886 CD GLN B 21 19.321 37.388 1.927 1.00 65.03 C ATOM 887 OE1 GLN B 21 18.767 38.170 2.716 1.00 63.23 O ATOM 888 NE2 GLN B 21 19.975 37.799 0.850 1.00 64.51 N ATOM 889 N VAL B 22 16.439 33.641 1.849 1.00 64.56 N ATOM 890 CA VAL B 22 15.945 32.319 1.440 1.00 64.44 C ATOM 891 C VAL B 22 17.070 31.347 1.162 1.00 61.43 C ATOM 892 O VAL B 22 18.072 31.704 0.556 1.00 59.36 O ATOM 893 CB VAL B 22 15.069 32.398 0.211 1.00 63.87 C ATOM 894 CG1 VAL B 22 14.631 30.992 -0.212 1.00 62.76 C ATOM 895 CG2 VAL B 22 13.871 33.291 0.517 1.00 65.58 C ATOM 896 N THR B 23 16.884 30.109 1.607 1.00 59.75 N ATOM 897 CA THR B 23 18.012 29.208 1.787 1.00 59.26 C ATOM 898 C THR B 23 17.572 27.740 2.004 1.00 56.64 C ATOM 899 O THR B 23 16.518 27.481 2.576 1.00 54.74 O ATOM 900 CB THR B 23 18.967 29.757 2.920 1.00 58.57 C ATOM 901 OG1 THR B 23 19.700 28.691 3.511 1.00 59.80 O ATOM 902 CG2 THR B 23 18.201 30.452 4.012 1.00 58.54 C ATOM 903 N GLN B 24 18.400 26.809 1.525 1.00 54.68 N ATOM 904 CA GLN B 24 18.058 25.395 1.416 1.00 58.82 C ATOM 905 C GLN B 24 18.552 24.551 2.599 1.00 59.58 C ATOM 906 O GLN B 24 19.730 24.575 2.910 1.00 63.37 O ATOM 907 CB GLN B 24 18.673 24.823 0.121 1.00 60.37 C ATOM 908 CG GLN B 24 18.041 25.309 -1.184 1.00 61.10 C ATOM 909 CD GLN B 24 16.563 24.959 -1.292 1.00 61.26 C ATOM 910 OE1 GLN B 24 15.687 25.811 -1.082 1.00 61.40 O ATOM 911 NE2 GLN B 24 16.281 23.699 -1.585 1.00 60.15 N ATOM 912 N LYS B 25 17.679 23.772 3.235 1.00 60.53 N ATOM 913 CA LYS B 25 18.100 22.950 4.384 1.00 61.93 C ATOM 914 C LYS B 25 17.643 21.479 4.249 1.00 59.19 C ATOM 915 O LYS B 25 16.546 21.214 3.737 1.00 58.81 O ATOM 916 CB LYS B 25 17.622 23.580 5.717 1.00 66.39 C ATOM 917 CG LYS B 25 16.325 22.979 6.295 1.00 69.34 C ATOM 918 CD LYS B 25 15.945 23.547 7.693 1.00 70.41 C ATOM 919 CE LYS B 25 14.629 22.883 8.270 1.00 70.52 C ATOM 920 NZ LYS B 25 14.136 23.508 9.550 1.00 69.20 N ATOM 921 N PRO B 26 18.488 20.521 4.698 1.00 54.83 N ATOM 922 CA PRO B 26 18.168 19.083 4.608 1.00 53.29 C ATOM 923 C PRO B 26 16.763 18.657 5.064 1.00 50.23 C ATOM 924 O PRO B 26 16.238 19.177 6.042 1.00 52.72 O ATOM 925 CB PRO B 26 19.237 18.439 5.506 1.00 52.44 C ATOM 926 CG PRO B 26 20.407 19.362 5.400 1.00 52.49 C ATOM 927 CD PRO B 26 19.835 20.743 5.270 1.00 52.67 C ATOM 928 N LEU B 27 16.180 17.689 4.372 1.00 49.10 N ATOM 929 CA LEU B 27 14.932 17.049 4.821 1.00 51.04 C ATOM 930 C LEU B 27 15.060 16.420 6.198 1.00 53.76 C ATOM 931 O LEU B 27 14.107 16.473 6.958 1.00 54.78 O ATOM 932 CB LEU B 27 14.485 15.951 3.857 1.00 48.59 C ATOM 933 CG LEU B 27 13.010 15.581 3.936 1.00 47.22 C ATOM 934 CD1 LEU B 27 12.126 16.749 3.419 1.00 45.94 C ATOM 935 CD2 LEU B 27 12.796 14.327 3.126 1.00 45.25 C ATOM 936 N ARG B 28 16.206 15.775 6.471 1.00 57.05 N ATOM 937 CA ARG B 28 16.641 15.406 7.828 1.00 59.29 C ATOM 938 C ARG B 28 16.076 16.349 8.893 1.00 62.72 C ATOM 939 O ARG B 28 15.453 15.898 9.879 1.00 63.67 O ATOM 940 CB ARG B 28 18.157 15.541 7.944 1.00 60.35 C ATOM 941 CG ARG B 28 18.987 14.374 7.520 1.00 62.75 C ATOM 942 CD ARG B 28 20.503 14.685 7.747 1.00 64.42 C ATOM 943 NE ARG B 28 21.289 13.467 7.992 1.00 66.16 N ATOM 944 CZ ARG B 28 21.721 12.621 7.052 1.00 66.82 C ATOM 945 NH1 ARG B 28 21.482 12.845 5.764 1.00 66.13 N ATOM 946 NH2 ARG B 28 22.411 11.541 7.403 1.00 67.42 N ATOM 947 N ASP B 29 16.324 17.653 8.695 1.00 63.11 N ATOM 948 CA ASP B 29 16.031 18.668 9.714 1.00 63.80 C ATOM 949 C ASP B 29 14.554 18.929 9.803 1.00 60.51 C ATOM 950 O ASP B 29 14.055 19.278 10.855 1.00 59.17 O ATOM 951 CB ASP B 29 16.789 19.976 9.457 1.00 67.46 C ATOM 952 CG ASP B 29 18.304 19.829 9.639 1.00 70.87 C ATOM 953 OD1 ASP B 29 18.746 18.897 10.358 1.00 73.75 O ATOM 954 OD2 ASP B 29 19.055 20.648 9.063 1.00 71.01 O ATOM 955 N SER B 30 13.846 18.747 8.706 1.00 59.13 N ATOM 956 CA SER B 30 12.396 18.802 8.772 1.00 62.04 C ATOM 957 C SER B 30 11.842 17.625 9.598 1.00 62.02 C ATOM 958 O SER B 30 10.817 17.736 10.280 1.00 61.54 O ATOM 959 CB SER B 30 11.789 18.838 7.357 1.00 64.09 C ATOM 960 OG SER B 30 11.943 20.130 6.768 1.00 66.54 O ATOM 961 N VAL B 31 12.527 16.491 9.534 1.00 62.13 N ATOM 962 CA VAL B 31 12.058 15.304 10.210 1.00 59.25 C ATOM 963 C VAL B 31 12.336 15.462 11.680 1.00 58.68 C ATOM 964 O VAL B 31 11.490 15.106 12.477 1.00 58.70 O ATOM 965 CB VAL B 31 12.669 14.024 9.630 1.00 56.12 C ATOM 966 CG1 VAL B 31 12.472 12.884 10.559 1.00 56.47 C ATOM 967 CG2 VAL B 31 12.013 13.705 8.317 1.00 54.76 C ATOM 968 N LYS B 32 13.480 16.039 12.046 1.00 59.89 N ATOM 969 CA LYS B 32 13.739 16.368 13.463 1.00 61.80 C ATOM 970 C LYS B 32 12.659 17.273 14.059 1.00 61.44 C ATOM 971 O LYS B 32 11.945 16.886 14.981 1.00 63.53 O ATOM 972 CB LYS B 32 15.088 17.038 13.640 1.00 62.94 C ATOM 973 CG LYS B 32 16.246 16.087 13.634 1.00 66.11 C ATOM 974 CD LYS B 32 17.474 16.755 14.273 1.00 68.61 C ATOM 975 CE LYS B 32 18.693 15.798 14.446 1.00 70.33 C ATOM 976 NZ LYS B 32 19.688 16.312 15.481 1.00 70.51 N ATOM 977 N GLN B 33 12.524 18.469 13.518 1.00 60.68 N ATOM 978 CA GLN B 33 11.547 19.402 14.028 1.00 60.05 C ATOM 979 C GLN B 33 10.175 18.766 14.127 1.00 55.11 C ATOM 980 O GLN B 33 9.503 18.943 15.105 1.00 54.87 O ATOM 981 CB GLN B 33 11.473 20.647 13.151 1.00 62.87 C ATOM 982 CG GLN B 33 11.006 21.897 13.902 1.00 66.19 C ATOM 983 CD GLN B 33 10.340 22.940 12.989 1.00 69.48 C ATOM 984 OE1 GLN B 33 9.866 23.981 13.458 1.00 75.95 O ATOM 985 NE2 GLN B 33 10.291 22.655 11.686 1.00 72.02 N ATOM 986 N ALA B 34 9.756 18.011 13.127 1.00 55.59 N ATOM 987 CA ALA B 34 8.430 17.362 13.165 1.00 56.18 C ATOM 988 C ALA B 34 8.202 16.567 14.449 1.00 56.09 C ATOM 989 O ALA B 34 7.120 16.660 15.052 1.00 54.40 O ATOM 990 CB ALA B 34 8.241 16.450 11.956 1.00 54.68 C ATOM 991 N LEU B 35 9.234 15.796 14.833 1.00 56.58 N ATOM 992 CA LEU B 35 9.229 14.873 15.983 1.00 55.11 C ATOM 993 C LEU B 35 9.471 15.631 17.285 1.00 58.25 C ATOM 994 O LEU B 35 8.690 15.504 18.232 1.00 60.60 O ATOM 995 CB LEU B 35 10.317 13.808 15.825 1.00 50.40 C ATOM 996 CG LEU B 35 10.134 12.691 14.791 1.00 47.46 C ATOM 997 CD1 LEU B 35 11.485 12.185 14.320 1.00 47.26 C ATOM 998 CD2 LEU B 35 9.321 11.540 15.320 1.00 43.56 C ATOM 999 N LYS B 36 10.556 16.406 17.338 1.00 60.13 N ATOM 1000 CA LYS B 36 10.754 17.390 18.407 1.00 60.84 C ATOM 1001 C LYS B 36 9.414 18.089 18.797 1.00 61.77 C ATOM 1002 O LYS B 36 9.105 18.271 19.969 1.00 64.33 O ATOM 1003 CB LYS B 36 11.792 18.430 17.974 1.00 63.73 C ATOM 1004 CG LYS B 36 12.252 19.340 19.096 1.00 65.85 C ATOM 1005 CD LYS B 36 12.006 20.850 18.809 1.00 68.71 C ATOM 1006 CE LYS B 36 12.297 21.722 20.083 1.00 69.13 C ATOM 1007 NZ LYS B 36 12.003 23.194 19.967 1.00 69.01 N ATOM 1008 N ASN B 37 8.624 18.459 17.800 1.00 61.94 N ATOM 1009 CA ASN B 37 7.294 19.035 18.002 1.00 61.54 C ATOM 1010 C ASN B 37 6.300 18.009 18.515 1.00 58.69 C ATOM 1011 O ASN B 37 5.542 18.276 19.429 1.00 56.75 O ATOM 1012 CB ASN B 37 6.780 19.611 16.669 1.00 63.18 C ATOM 1013 CG ASN B 37 5.582 20.536 16.833 1.00 64.29 C ATOM 1014 OD1 ASN B 37 5.122 20.809 17.945 1.00 66.83 O ATOM 1015 ND2 ASN B 37 5.078 21.037 15.706 1.00 64.23 N ATOM 1016 N TYR B 38 6.295 16.844 17.888 1.00 58.76 N ATOM 1017 CA TYR B 38 5.415 15.748 18.273 1.00 59.42 C ATOM 1018 C TYR B 38 5.524 15.377 19.740 1.00 59.63 C ATOM 1019 O TYR B 38 4.510 15.086 20.360 1.00 57.57 O ATOM 1020 CB TYR B 38 5.728 14.514 17.432 1.00 57.96 C ATOM 1021 CG TYR B 38 5.007 13.253 17.869 1.00 57.92 C ATOM 1022 CD1 TYR B 38 5.722 12.152 18.314 1.00 57.54 C ATOM 1023 CD2 TYR B 38 3.616 13.159 17.835 1.00 57.52 C ATOM 1024 CE1 TYR B 38 5.083 10.984 18.708 1.00 57.37 C ATOM 1025 CE2 TYR B 38 2.964 11.983 18.231 1.00 57.70 C ATOM 1026 CZ TYR B 38 3.710 10.899 18.671 1.00 57.32 C ATOM 1027 OH TYR B 38 3.117 9.722 19.090 1.00 57.13 O ATOM 1028 N PHE B 39 6.754 15.377 20.270 1.00 62.22 N ATOM 1029 CA PHE B 39 7.042 15.067 21.688 1.00 62.07 C ATOM 1030 C PHE B 39 6.496 16.123 22.680 1.00 64.33 C ATOM 1031 O PHE B 39 5.741 15.792 23.605 1.00 62.11 O ATOM 1032 CB PHE B 39 8.557 14.916 21.896 1.00 59.01 C ATOM 1033 CG PHE B 39 9.152 13.666 21.279 1.00 59.16 C ATOM 1034 CD1 PHE B 39 8.521 12.438 21.377 1.00 60.79 C ATOM 1035 CD2 PHE B 39 10.369 13.709 20.626 1.00 59.27 C ATOM 1036 CE1 PHE B 39 9.092 11.290 20.816 1.00 59.68 C ATOM 1037 CE2 PHE B 39 10.942 12.556 20.066 1.00 58.22 C ATOM 1038 CZ PHE B 39 10.306 11.361 20.164 1.00 58.43 C ATOM 1039 N ALA B 40 6.885 17.386 22.491 1.00 67.54 N ATOM 1040 CA ALA B 40 6.354 18.502 23.290 1.00 70.05 C ATOM 1041 C ALA B 40 4.821 18.445 23.465 1.00 73.28 C ATOM 1042 O ALA B 40 4.302 18.571 24.578 1.00 73.32 O ATOM 1043 CB ALA B 40 6.757 19.806 22.663 1.00 66.76 C ATOM 1044 N GLN B 41 4.114 18.256 22.354 1.00 77.23 N ATOM 1045 CA GLN B 41 2.662 18.057 22.360 1.00 80.69 C ATOM 1046 C GLN B 41 2.241 16.783 23.100 1.00 83.55 C ATOM 1047 O GLN B 41 1.189 16.756 23.737 1.00 84.11 O ATOM 1048 CB GLN B 41 2.114 18.005 20.920 1.00 83.71 C ATOM 1049 CG GLN B 41 1.481 19.291 20.401 1.00 86.84 C ATOM 1050 CD GLN B 41 2.413 20.515 20.451 1.00 90.61 C ATOM 1051 OE1 GLN B 41 3.115 20.747 21.446 1.00 92.59 O ATOM 1052 NE2 GLN B 41 2.394 21.319 19.379 1.00 92.60 N ATOM 1053 N LEU B 42 3.046 15.729 22.996 1.00 86.25 N ATOM 1054 CA LEU B 42 2.696 14.422 23.561 1.00 87.02 C ATOM 1055 C LEU B 42 2.554 14.542 25.055 1.00 87.72 C ATOM 1056 O LEU B 42 1.532 14.149 25.614 1.00 86.98 O ATOM 1057 CB LEU B 42 3.770 13.387 23.229 1.00 88.09 C ATOM 1058 CG LEU B 42 3.523 11.977 23.747 1.00 88.13 C ATOM 1059 CD1 LEU B 42 2.370 11.346 22.998 1.00 89.46 C ATOM 1060 CD2 LEU B 42 4.786 11.159 23.592 1.00 88.45 C ATOM 1061 N ASN B 43 3.608 15.071 25.677 1.00 89.48 N ATOM 1062 CA ASN B 43 3.595 15.512 27.067 1.00 91.83 C ATOM 1063 C ASN B 43 3.065 14.452 28.043 1.00 93.31 C ATOM 1064 O ASN B 43 1.893 14.472 28.441 1.00 93.57 O ATOM 1065 CB ASN B 43 2.798 16.832 27.185 1.00 92.21 C ATOM 1066 CG ASN B 43 3.514 17.887 28.032 1.00 92.66 C ATOM 1067 OD1 ASN B 43 3.661 19.030 27.599 1.00 92.98 O ATOM 1068 ND2 ASN B 43 3.970 17.505 29.233 1.00 91.37 N ATOM 1069 N GLY B 44 3.936 13.518 28.416 1.00 94.38 N ATOM 1070 CA GLY B 44 3.587 12.484 29.388 1.00 95.67 C ATOM 1071 C GLY B 44 3.027 11.217 28.765 1.00 97.03 C ATOM 1072 O GLY B 44 3.346 10.121 29.208 1.00 98.05 O ATOM 1073 N GLN B 45 2.205 11.358 27.729 1.00 99.46 N ATOM 1074 CA GLN B 45 1.509 10.218 27.111 1.00 99.87 C ATOM 1075 C GLN B 45 2.510 9.214 26.520 1.00100.64 C ATOM 1076 O GLN B 45 3.694 9.544 26.378 1.00102.44 O ATOM 1077 CB GLN B 45 0.526 10.732 26.033 1.00101.72 C ATOM 1078 CG GLN B 45 -0.545 9.738 25.589 1.00102.19 C ATOM 1079 CD GLN B 45 -1.240 9.048 26.764 1.00104.08 C ATOM 1080 OE1 GLN B 45 -1.236 7.821 26.861 1.00104.56 O ATOM 1081 NE2 GLN B 45 -1.818 9.839 27.671 1.00104.34 N ATOM 1082 N ASP B 46 2.057 7.995 26.200 1.00 98.75 N ATOM 1083 CA ASP B 46 2.941 6.995 25.570 1.00 97.69 C ATOM 1084 C ASP B 46 2.588 6.684 24.097 1.00 95.92 C ATOM 1085 O ASP B 46 1.590 7.170 23.567 1.00 96.11 O ATOM 1086 CB ASP B 46 3.008 5.708 26.417 1.00 99.47 C ATOM 1087 CG ASP B 46 1.966 4.674 26.010 1.00100.68 C ATOM 1088 OD1 ASP B 46 0.787 5.060 25.866 1.00103.00 O ATOM 1089 OD2 ASP B 46 2.327 3.482 25.834 1.00 98.76 O ATOM 1090 N VAL B 47 3.434 5.870 23.459 1.00 93.34 N ATOM 1091 CA VAL B 47 3.314 5.501 22.046 1.00 91.04 C ATOM 1092 C VAL B 47 3.637 4.022 21.859 1.00 86.71 C ATOM 1093 O VAL B 47 4.386 3.456 22.638 1.00 86.46 O ATOM 1094 CB VAL B 47 4.327 6.308 21.198 1.00 92.40 C ATOM 1095 CG1 VAL B 47 3.944 6.281 19.698 1.00 94.02 C ATOM 1096 CG2 VAL B 47 4.438 7.742 21.714 1.00 91.63 C ATOM 1097 N ASN B 48 3.103 3.386 20.827 1.00 84.58 N ATOM 1098 CA ASN B 48 3.539 2.014 20.525 1.00 85.19 C ATOM 1099 C ASN B 48 3.651 1.696 19.034 1.00 81.62 C ATOM 1100 O ASN B 48 3.587 0.541 18.640 1.00 80.17 O ATOM 1101 CB ASN B 48 2.636 0.978 21.232 1.00 87.69 C ATOM 1102 CG ASN B 48 1.176 1.070 20.800 1.00 89.52 C ATOM 1103 OD1 ASN B 48 0.682 0.232 20.038 1.00 89.56 O ATOM 1104 ND2 ASN B 48 0.482 2.095 21.285 1.00 90.49 N ATOM 1105 N ASP B 49 3.840 2.713 18.207 1.00 78.51 N ATOM 1106 CA ASP B 49 3.728 2.518 16.765 1.00 77.00 C ATOM 1107 C ASP B 49 4.331 3.684 15.979 1.00 71.16 C ATOM 1108 O ASP B 49 3.851 4.048 14.905 1.00 70.43 O ATOM 1109 CB ASP B 49 2.250 2.380 16.400 1.00 82.42 C ATOM 1110 CG ASP B 49 1.477 3.682 16.640 1.00 88.89 C ATOM 1111 OD1 ASP B 49 1.781 4.402 17.647 1.00 90.13 O ATOM 1112 OD2 ASP B 49 0.594 4.001 15.799 1.00 93.65 O ATOM 1113 N LEU B 50 5.402 4.249 16.503 1.00 64.57 N ATOM 1114 CA LEU B 50 5.994 5.438 15.927 1.00 61.77 C ATOM 1115 C LEU B 50 6.727 5.141 14.617 1.00 57.31 C ATOM 1116 O LEU B 50 6.844 5.991 13.747 1.00 56.01 O ATOM 1117 CB LEU B 50 6.941 6.065 16.952 1.00 60.23 C ATOM 1118 CG LEU B 50 7.253 7.529 16.713 1.00 61.01 C ATOM 1119 CD1 LEU B 50 5.979 8.317 16.806 1.00 60.98 C ATOM 1120 CD2 LEU B 50 8.289 8.027 17.703 1.00 60.77 C ATOM 1121 N TYR B 51 7.236 3.931 14.473 1.00 56.35 N ATOM 1122 CA TYR B 51 7.933 3.589 13.260 1.00 56.13 C ATOM 1123 C TYR B 51 6.921 3.580 12.139 1.00 55.97 C ATOM 1124 O TYR B 51 7.149 4.166 11.099 1.00 58.59 O ATOM 1125 CB TYR B 51 8.649 2.244 13.378 1.00 54.03 C ATOM 1126 CG TYR B 51 9.514 1.954 12.177 1.00 54.10 C ATOM 1127 CD1 TYR B 51 10.746 2.552 12.015 1.00 54.88 C ATOM 1128 CD2 TYR B 51 9.074 1.126 11.178 1.00 54.66 C ATOM 1129 CE1 TYR B 51 11.524 2.296 10.888 1.00 53.74 C ATOM 1130 CE2 TYR B 51 9.831 0.882 10.068 1.00 54.53 C ATOM 1131 CZ TYR B 51 11.049 1.456 9.929 1.00 53.02 C ATOM 1132 OH TYR B 51 11.760 1.175 8.797 1.00 54.15 O ATOM 1133 N GLU B 52 5.785 2.936 12.365 1.00 59.18 N ATOM 1134 CA GLU B 52 4.751 2.848 11.347 1.00 57.86 C ATOM 1135 C GLU B 52 4.166 4.232 11.008 1.00 57.89 C ATOM 1136 O GLU B 52 3.779 4.484 9.869 1.00 58.23 O ATOM 1137 CB GLU B 52 3.676 1.850 11.780 1.00 61.60 C ATOM 1138 CG GLU B 52 2.483 1.688 10.807 1.00 67.50 C ATOM 1139 CD GLU B 52 2.864 1.412 9.310 1.00 74.09 C ATOM 1140 OE1 GLU B 52 2.267 2.069 8.397 1.00 74.18 O ATOM 1141 OE2 GLU B 52 3.735 0.531 9.050 1.00 77.47 O ATOM 1142 N LEU B 53 4.139 5.143 11.977 1.00 57.58 N ATOM 1143 CA LEU B 53 3.599 6.488 11.751 1.00 54.99 C ATOM 1144 C LEU B 53 4.466 7.290 10.823 1.00 53.86 C ATOM 1145 O LEU B 53 3.957 7.919 9.908 1.00 56.84 O ATOM 1146 CB LEU B 53 3.511 7.275 13.049 1.00 55.71 C ATOM 1147 CG LEU B 53 2.217 8.046 13.116 1.00 56.98 C ATOM 1148 CD1 LEU B 53 1.125 6.991 13.504 1.00 58.66 C ATOM 1149 CD2 LEU B 53 2.318 9.237 14.089 1.00 54.85 C ATOM 1150 N VAL B 54 5.768 7.298 11.104 1.00 51.47 N ATOM 1151 CA VAL B 54 6.742 8.024 10.307 1.00 50.95 C ATOM 1152 C VAL B 54 6.854 7.363 8.943 1.00 52.55 C ATOM 1153 O VAL B 54 6.738 8.041 7.935 1.00 58.24 O ATOM 1154 CB VAL B 54 8.131 8.058 10.976 1.00 49.81 C ATOM 1155 CG1 VAL B 54 9.201 8.518 9.980 1.00 50.04 C ATOM 1156 CG2 VAL B 54 8.113 8.939 12.209 1.00 46.58 C ATOM 1157 N LEU B 55 7.053 6.045 8.906 1.00 52.07 N ATOM 1158 CA LEU B 55 7.079 5.288 7.643 1.00 51.43 C ATOM 1159 C LEU B 55 5.915 5.637 6.710 1.00 51.97 C ATOM 1160 O LEU B 55 6.099 5.769 5.509 1.00 51.87 O ATOM 1161 CB LEU B 55 7.062 3.782 7.918 1.00 51.61 C ATOM 1162 CG LEU B 55 7.324 2.878 6.698 1.00 53.33 C ATOM 1163 CD1 LEU B 55 8.823 2.874 6.319 1.00 54.52 C ATOM 1164 CD2 LEU B 55 6.826 1.447 6.903 1.00 52.46 C ATOM 1165 N ALA B 56 4.722 5.783 7.276 1.00 54.36 N ATOM 1166 CA ALA B 56 3.519 6.117 6.520 1.00 54.54 C ATOM 1167 C ALA B 56 3.634 7.500 5.930 1.00 55.27 C ATOM 1168 O ALA B 56 3.408 7.702 4.753 1.00 57.00 O ATOM 1169 CB ALA B 56 2.291 6.049 7.421 1.00 51.91 C ATOM 1170 N GLU B 57 3.999 8.464 6.754 1.00 58.98 N ATOM 1171 CA GLU B 57 3.983 9.854 6.318 1.00 60.24 C ATOM 1172 C GLU B 57 4.985 10.047 5.184 1.00 59.44 C ATOM 1173 O GLU B 57 4.856 10.943 4.372 1.00 59.55 O ATOM 1174 CB GLU B 57 4.269 10.787 7.506 1.00 63.12 C ATOM 1175 CG GLU B 57 3.902 12.271 7.280 1.00 65.87 C ATOM 1176 CD GLU B 57 2.432 12.597 7.556 1.00 69.48 C ATOM 1177 OE1 GLU B 57 1.608 11.653 7.466 1.00 70.98 O ATOM 1178 OE2 GLU B 57 2.110 13.789 7.866 1.00 70.74 O ATOM 1179 N VAL B 58 5.955 9.159 5.105 1.00 59.86 N ATOM 1180 CA VAL B 58 7.007 9.278 4.123 1.00 61.78 C ATOM 1181 C VAL B 58 6.817 8.381 2.896 1.00 61.21 C ATOM 1182 O VAL B 58 7.097 8.812 1.793 1.00 62.46 O ATOM 1183 CB VAL B 58 8.372 9.030 4.795 1.00 64.16 C ATOM 1184 CG1 VAL B 58 9.408 8.525 3.800 1.00 62.79 C ATOM 1185 CG2 VAL B 58 8.823 10.326 5.492 1.00 65.67 C ATOM 1186 N GLU B 59 6.364 7.147 3.066 1.00 59.03 N ATOM 1187 CA GLU B 59 6.094 6.293 1.908 1.00 57.91 C ATOM 1188 C GLU B 59 5.046 6.890 0.959 1.00 55.45 C ATOM 1189 O GLU B 59 5.183 6.808 -0.249 1.00 54.41 O ATOM 1190 CB GLU B 59 5.634 4.899 2.345 1.00 58.90 C ATOM 1191 CG GLU B 59 6.761 3.943 2.708 1.00 60.50 C ATOM 1192 CD GLU B 59 6.308 2.467 2.878 1.00 62.02 C ATOM 1193 OE1 GLU B 59 7.196 1.573 2.794 1.00 62.37 O ATOM 1194 OE2 GLU B 59 5.087 2.201 3.101 1.00 62.22 O ATOM 1195 N GLN B 60 4.009 7.493 1.512 1.00 55.12 N ATOM 1196 CA GLN B 60 2.859 7.930 0.737 1.00 55.92 C ATOM 1197 C GLN B 60 3.188 8.994 -0.326 1.00 53.12 C ATOM 1198 O GLN B 60 2.819 8.820 -1.471 1.00 52.85 O ATOM 1199 CB GLN B 60 1.782 8.374 1.718 1.00 59.80 C ATOM 1200 CG GLN B 60 0.376 8.677 1.212 1.00 62.87 C ATOM 1201 CD GLN B 60 -0.642 8.704 2.405 1.00 65.66 C ATOM 1202 OE1 GLN B 60 -1.456 9.632 2.549 1.00 72.31 O ATOM 1203 NE2 GLN B 60 -0.547 7.706 3.281 1.00 65.16 N ATOM 1204 N PRO B 61 3.916 10.076 0.027 1.00 53.27 N ATOM 1205 CA PRO B 61 4.418 11.075 -0.969 1.00 51.69 C ATOM 1206 C PRO B 61 5.574 10.628 -1.882 1.00 52.03 C ATOM 1207 O PRO B 61 5.742 11.145 -2.994 1.00 57.19 O ATOM 1208 CB PRO B 61 4.928 12.226 -0.114 1.00 50.00 C ATOM 1209 CG PRO B 61 4.667 11.870 1.263 1.00 52.31 C ATOM 1210 CD PRO B 61 4.308 10.446 1.392 1.00 52.94 C ATOM 1211 N LEU B 62 6.395 9.715 -1.401 1.00 48.75 N ATOM 1212 CA LEU B 62 7.415 9.116 -2.225 1.00 46.03 C ATOM 1213 C LEU B 62 6.743 8.322 -3.320 1.00 45.62 C ATOM 1214 O LEU B 62 7.188 8.356 -4.457 1.00 46.37 O ATOM 1215 CB LEU B 62 8.290 8.191 -1.387 1.00 44.16 C ATOM 1216 CG LEU B 62 9.265 7.385 -2.215 1.00 44.83 C ATOM 1217 CD1 LEU B 62 10.045 8.364 -3.062 1.00 42.20 C ATOM 1218 CD2 LEU B 62 10.172 6.519 -1.348 1.00 44.63 C ATOM 1219 N LEU B 63 5.684 7.591 -2.978 1.00 45.50 N ATOM 1220 CA LEU B 63 4.973 6.784 -3.969 1.00 46.93 C ATOM 1221 C LEU B 63 4.228 7.702 -4.937 1.00 49.49 C ATOM 1222 O LEU B 63 4.349 7.563 -6.163 1.00 49.47 O ATOM 1223 CB LEU B 63 3.994 5.796 -3.306 1.00 44.89 C ATOM 1224 CG LEU B 63 4.575 4.567 -2.587 1.00 43.17 C ATOM 1225 CD1 LEU B 63 3.523 3.940 -1.663 1.00 40.43 C ATOM 1226 CD2 LEU B 63 5.088 3.556 -3.577 1.00 40.10 C ATOM 1227 N ASP B 64 3.466 8.641 -4.373 1.00 53.64 N ATOM 1228 CA ASP B 64 2.701 9.617 -5.144 1.00 51.51 C ATOM 1229 C ASP B 64 3.606 10.310 -6.165 1.00 49.05 C ATOM 1230 O ASP B 64 3.331 10.319 -7.362 1.00 45.00 O ATOM 1231 CB ASP B 64 2.096 10.629 -4.175 1.00 56.23 C ATOM 1232 CG ASP B 64 1.242 11.697 -4.867 1.00 63.15 C ATOM 1233 OD1 ASP B 64 1.590 12.190 -5.977 1.00 70.81 O ATOM 1234 OD2 ASP B 64 0.210 12.076 -4.264 1.00 69.87 O ATOM 1235 N MET B 65 4.699 10.875 -5.687 1.00 47.74 N ATOM 1236 CA MET B 65 5.571 11.603 -6.560 1.00 51.34 C ATOM 1237 C MET B 65 6.196 10.726 -7.654 1.00 51.38 C ATOM 1238 O MET B 65 6.312 11.155 -8.773 1.00 54.93 O ATOM 1239 CB MET B 65 6.649 12.314 -5.758 1.00 56.41 C ATOM 1240 CG MET B 65 6.964 13.661 -6.323 1.00 59.72 C ATOM 1241 SD MET B 65 5.571 14.713 -5.918 1.00 66.59 S ATOM 1242 CE MET B 65 5.688 15.955 -7.216 1.00 64.42 C ATOM 1243 N VAL B 66 6.580 9.498 -7.344 1.00 51.27 N ATOM 1244 CA VAL B 66 7.210 8.611 -8.333 1.00 50.58 C ATOM 1245 C VAL B 66 6.290 8.153 -9.483 1.00 50.33 C ATOM 1246 O VAL B 66 6.736 7.941 -10.604 1.00 46.03 O ATOM 1247 CB VAL B 66 7.797 7.366 -7.634 1.00 48.83 C ATOM 1248 CG1 VAL B 66 7.922 6.193 -8.615 1.00 44.29 C ATOM 1249 CG2 VAL B 66 9.142 7.732 -6.975 1.00 45.64 C ATOM 1250 N MET B 67 5.011 7.978 -9.198 1.00 53.53 N ATOM 1251 CA MET B 67 4.062 7.531 -10.214 1.00 54.43 C ATOM 1252 C MET B 67 3.729 8.659 -11.157 1.00 53.38 C ATOM 1253 O MET B 67 3.522 8.428 -12.331 1.00 54.52 O ATOM 1254 CB MET B 67 2.773 7.029 -9.563 1.00 58.82 C ATOM 1255 CG MET B 67 2.943 5.793 -8.701 1.00 61.15 C ATOM 1256 SD MET B 67 3.400 4.339 -9.686 1.00 65.50 S ATOM 1257 CE MET B 67 1.907 4.070 -10.642 1.00 66.04 C ATOM 1258 N GLN B 68 3.662 9.879 -10.644 1.00 52.07 N ATOM 1259 CA GLN B 68 3.517 11.026 -11.517 1.00 54.48 C ATOM 1260 C GLN B 68 4.657 11.097 -12.496 1.00 53.04 C ATOM 1261 O GLN B 68 4.426 11.287 -13.678 1.00 53.44 O ATOM 1262 CB GLN B 68 3.451 12.316 -10.725 1.00 57.56 C ATOM 1263 CG GLN B 68 2.104 12.506 -10.050 1.00 58.72 C ATOM 1264 CD GLN B 68 1.949 13.838 -9.367 1.00 58.16 C ATOM 1265 OE1 GLN B 68 1.245 13.914 -8.365 1.00 61.10 O ATOM 1266 NE2 GLN B 68 2.616 14.891 -9.879 1.00 57.87 N ATOM 1267 N TYR B 69 5.876 10.917 -11.993 1.00 53.77 N ATOM 1268 CA TYR B 69 7.098 10.820 -12.816 1.00 53.89 C ATOM 1269 C TYR B 69 7.178 9.714 -13.864 1.00 53.93 C ATOM 1270 O TYR B 69 7.832 9.898 -14.857 1.00 57.79 O ATOM 1271 CB TYR B 69 8.307 10.610 -11.929 1.00 56.12 C ATOM 1272 CG TYR B 69 9.597 10.919 -12.611 1.00 56.34 C ATOM 1273 CD1 TYR B 69 9.956 12.238 -12.824 1.00 59.32 C ATOM 1274 CD2 TYR B 69 10.475 9.920 -13.021 1.00 56.82 C ATOM 1275 CE1 TYR B 69 11.147 12.587 -13.439 1.00 58.72 C ATOM 1276 CE2 TYR B 69 11.687 10.250 -13.642 1.00 57.59 C ATOM 1277 CZ TYR B 69 12.012 11.606 -13.843 1.00 58.71 C ATOM 1278 OH TYR B 69 13.177 12.048 -14.430 1.00 58.00 O ATOM 1279 N THR B 70 6.597 8.549 -13.631 1.00 51.48 N ATOM 1280 CA THR B 70 6.687 7.491 -14.616 1.00 53.19 C ATOM 1281 C THR B 70 5.350 7.391 -15.327 1.00 54.19 C ATOM 1282 O THR B 70 4.986 6.357 -15.913 1.00 47.46 O ATOM 1283 CB THR B 70 7.086 6.165 -13.963 1.00 53.66 C ATOM 1284 OG1 THR B 70 6.077 5.726 -13.041 1.00 53.09 O ATOM 1285 CG2 THR B 70 8.385 6.345 -13.238 1.00 53.13 C ATOM 1286 N ARG B 71 4.614 8.492 -15.254 1.00 55.87 N ATOM 1287 CA ARG B 71 3.281 8.575 -15.804 1.00 58.66 C ATOM 1288 C ARG B 71 2.497 7.290 -15.561 1.00 54.42 C ATOM 1289 O ARG B 71 1.808 6.849 -16.433 1.00 56.84 O ATOM 1290 CB ARG B 71 3.364 8.980 -17.282 1.00 61.22 C ATOM 1291 CG ARG B 71 4.012 10.376 -17.420 1.00 68.28 C ATOM 1292 CD ARG B 71 4.375 10.849 -18.846 1.00 73.95 C ATOM 1293 NE ARG B 71 5.118 9.843 -19.620 1.00 80.49 N ATOM 1294 CZ ARG B 71 6.408 9.505 -19.455 1.00 82.33 C ATOM 1295 NH1 ARG B 71 7.172 10.067 -18.518 1.00 81.94 N ATOM 1296 NH2 ARG B 71 6.944 8.572 -20.244 1.00 83.03 N ATOM 1297 N GLY B 72 2.610 6.716 -14.359 1.00 53.22 N ATOM 1298 CA GLY B 72 1.858 5.515 -13.932 1.00 52.64 C ATOM 1299 C GLY B 72 2.486 4.122 -14.140 1.00 52.31 C ATOM 1300 O GLY B 72 1.882 3.102 -13.804 1.00 51.10 O ATOM 1301 N ASN B 73 3.689 4.060 -14.704 1.00 50.84 N ATOM 1302 CA ASN B 73 4.300 2.787 -15.072 1.00 49.25 C ATOM 1303 C ASN B 73 4.812 2.165 -13.807 1.00 49.77 C ATOM 1304 O ASN B 73 5.702 2.740 -13.152 1.00 52.57 O ATOM 1305 CB ASN B 73 5.453 3.040 -16.061 1.00 49.06 C ATOM 1306 CG ASN B 73 6.017 1.764 -16.691 1.00 47.03 C ATOM 1307 OD1 ASN B 73 6.173 0.741 -16.037 1.00 45.50 O ATOM 1308 ND2 ASN B 73 6.366 1.852 -17.967 1.00 43.82 N ATOM 1309 N GLN B 74 4.244 1.014 -13.449 1.00 49.31 N ATOM 1310 CA GLN B 74 4.636 0.300 -12.234 1.00 48.78 C ATOM 1311 C GLN B 74 5.911 -0.513 -12.382 1.00 49.05 C ATOM 1312 O GLN B 74 6.523 -0.843 -11.386 1.00 53.75 O ATOM 1313 CB GLN B 74 3.558 -0.665 -11.780 1.00 47.33 C ATOM 1314 CG GLN B 74 2.202 -0.097 -11.466 1.00 47.26 C ATOM 1315 CD GLN B 74 1.229 -1.217 -11.131 1.00 49.96 C ATOM 1316 OE1 GLN B 74 1.119 -2.207 -11.862 1.00 56.72 O ATOM 1317 NE2 GLN B 74 0.542 -1.087 -10.020 1.00 51.57 N ATOM 1318 N THR B 75 6.301 -0.879 -13.592 1.00 50.32 N ATOM 1319 CA THR B 75 7.562 -1.604 -13.772 1.00 53.11 C ATOM 1320 C THR B 75 8.809 -0.685 -13.627 1.00 55.51 C ATOM 1321 O THR B 75 9.772 -1.066 -12.973 1.00 59.47 O ATOM 1322 CB THR B 75 7.548 -2.387 -15.099 1.00 52.46 C ATOM 1323 OG1 THR B 75 6.559 -3.405 -14.999 1.00 53.26 O ATOM 1324 CG2 THR B 75 8.883 -3.043 -15.412 1.00 51.70 C ATOM 1325 N ARG B 76 8.790 0.512 -14.200 1.00 55.14 N ATOM 1326 CA ARG B 76 9.937 1.430 -14.085 1.00 58.27 C ATOM 1327 C ARG B 76 10.022 2.042 -12.683 1.00 53.65 C ATOM 1328 O ARG B 76 11.105 2.299 -12.144 1.00 50.40 O ATOM 1329 CB ARG B 76 9.852 2.561 -15.137 1.00 61.50 C ATOM 1330 CG ARG B 76 9.744 2.053 -16.587 1.00 65.86 C ATOM 1331 CD ARG B 76 10.279 3.036 -17.635 1.00 67.62 C ATOM 1332 NE ARG B 76 9.702 4.381 -17.499 1.00 71.09 N ATOM 1333 CZ ARG B 76 10.330 5.477 -17.040 1.00 71.55 C ATOM 1334 NH1 ARG B 76 11.607 5.444 -16.651 1.00 70.51 N ATOM 1335 NH2 ARG B 76 9.666 6.642 -16.988 1.00 71.62 N ATOM 1336 N ALA B 77 8.859 2.294 -12.113 1.00 49.04 N ATOM 1337 CA ALA B 77 8.786 2.893 -10.823 1.00 47.97 C ATOM 1338 C ALA B 77 9.486 1.991 -9.786 1.00 51.07 C ATOM 1339 O ALA B 77 10.288 2.465 -8.960 1.00 49.66 O ATOM 1340 CB ALA B 77 7.354 3.097 -10.483 1.00 46.40 C ATOM 1341 N ALA B 78 9.188 0.682 -9.852 1.00 52.66 N ATOM 1342 CA ALA B 78 9.750 -0.322 -8.917 1.00 49.48 C ATOM 1343 C ALA B 78 11.231 -0.542 -9.185 1.00 49.71 C ATOM 1344 O ALA B 78 11.996 -0.884 -8.278 1.00 48.60 O ATOM 1345 CB ALA B 78 8.993 -1.620 -9.008 1.00 39.54 C ATOM 1346 N LEU B 79 11.615 -0.335 -10.441 1.00 52.09 N ATOM 1347 CA LEU B 79 12.998 -0.442 -10.854 1.00 54.17 C ATOM 1348 C LEU B 79 13.725 0.753 -10.354 1.00 57.06 C ATOM 1349 O LEU B 79 14.845 0.624 -9.878 1.00 61.68 O ATOM 1350 CB LEU B 79 13.146 -0.485 -12.381 1.00 55.67 C ATOM 1351 CG LEU B 79 12.953 -1.832 -13.073 1.00 54.99 C ATOM 1352 CD1 LEU B 79 13.087 -1.661 -14.570 1.00 54.01 C ATOM 1353 CD2 LEU B 79 13.960 -2.817 -12.549 1.00 55.18 C ATOM 1354 N MET B 80 13.104 1.923 -10.464 1.00 57.46 N ATOM 1355 CA MET B 80 13.791 3.132 -10.048 1.00 58.04 C ATOM 1356 C MET B 80 13.845 3.317 -8.532 1.00 54.20 C ATOM 1357 O MET B 80 14.784 3.913 -8.046 1.00 53.04 O ATOM 1358 CB MET B 80 13.298 4.370 -10.815 1.00 60.64 C ATOM 1359 CG MET B 80 12.176 5.214 -10.259 1.00 62.87 C ATOM 1360 SD MET B 80 11.937 6.700 -11.324 1.00 65.98 S ATOM 1361 CE MET B 80 13.147 7.865 -10.646 1.00 65.55 C ATOM 1362 N MET B 81 12.889 2.757 -7.794 1.00 53.31 N ATOM 1363 CA MET B 81 12.999 2.645 -6.328 1.00 54.59 C ATOM 1364 C MET B 81 13.920 1.504 -5.868 1.00 55.79 C ATOM 1365 O MET B 81 14.378 1.449 -4.719 1.00 55.96 O ATOM 1366 CB MET B 81 11.627 2.418 -5.738 1.00 52.96 C ATOM 1367 CG MET B 81 10.821 3.644 -5.806 1.00 55.71 C ATOM 1368 SD MET B 81 9.144 3.429 -5.239 1.00 59.48 S ATOM 1369 CE MET B 81 9.361 3.120 -3.484 1.00 60.24 C ATOM 1370 N GLY B 82 14.163 0.564 -6.766 1.00 56.93 N ATOM 1371 CA GLY B 82 14.933 -0.611 -6.434 1.00 54.80 C ATOM 1372 C GLY B 82 14.233 -1.559 -5.477 1.00 54.04 C ATOM 1373 O GLY B 82 14.871 -2.062 -4.555 1.00 59.13 O ATOM 1374 N ILE B 83 12.945 -1.831 -5.697 1.00 49.07 N ATOM 1375 CA ILE B 83 12.228 -2.847 -4.900 1.00 46.78 C ATOM 1376 C ILE B 83 11.441 -3.811 -5.815 1.00 45.59 C ATOM 1377 O ILE B 83 11.120 -3.444 -6.951 1.00 44.39 O ATOM 1378 CB ILE B 83 11.286 -2.179 -3.805 1.00 43.04 C ATOM 1379 CG1 ILE B 83 10.038 -1.536 -4.419 1.00 39.59 C ATOM 1380 CG2 ILE B 83 12.045 -1.138 -2.974 1.00 41.86 C ATOM 1381 CD1 ILE B 83 9.203 -0.835 -3.417 1.00 40.74 C ATOM 1382 N ASN B 84 11.113 -5.005 -5.317 1.00 44.07 N ATOM 1383 CA ASN B 84 10.299 -5.975 -6.080 1.00 46.77 C ATOM 1384 C ASN B 84 8.994 -5.400 -6.640 1.00 44.48 C ATOM 1385 O ASN B 84 8.281 -4.702 -5.924 1.00 41.14 O ATOM 1386 CB ASN B 84 9.956 -7.210 -5.211 1.00 51.83 C ATOM 1387 CG ASN B 84 9.510 -8.442 -6.051 1.00 53.29 C ATOM 1388 OD1 ASN B 84 8.330 -8.977 -5.761 1.00 55.65 O ATOM 1389 ND2 ASN B 84 10.240 -8.901 -6.923 1.00 58.39 N ATOM 1390 N ARG B 85 8.654 -5.721 -7.895 1.00 43.91 N ATOM 1391 CA ARG B 85 7.406 -5.168 -8.488 1.00 45.09 C ATOM 1392 C ARG B 85 6.115 -5.542 -7.716 1.00 45.17 C ATOM 1393 O ARG B 85 5.093 -4.860 -7.813 1.00 47.10 O ATOM 1394 CB ARG B 85 7.264 -5.536 -9.978 1.00 43.98 C ATOM 1395 CG ARG B 85 5.922 -5.049 -10.633 1.00 46.85 C ATOM 1396 CD ARG B 85 5.778 -5.343 -12.162 1.00 49.76 C ATOM 1397 NE ARG B 85 6.267 -6.675 -12.486 1.00 52.31 N ATOM 1398 CZ ARG B 85 5.527 -7.740 -12.809 1.00 55.77 C ATOM 1399 NH1 ARG B 85 4.200 -7.662 -12.940 1.00 55.88 N ATOM 1400 NH2 ARG B 85 6.141 -8.911 -13.051 1.00 56.55 N ATOM 1401 N GLY B 86 6.160 -6.630 -6.961 1.00 43.95 N ATOM 1402 CA GLY B 86 4.996 -7.102 -6.257 1.00 43.58 C ATOM 1403 C GLY B 86 4.929 -6.474 -4.899 1.00 44.17 C ATOM 1404 O GLY B 86 3.851 -6.343 -4.329 1.00 45.06 O ATOM 1405 N THR B 87 6.072 -6.078 -4.352 1.00 46.10 N ATOM 1406 CA THR B 87 6.016 -5.320 -3.095 1.00 47.95 C ATOM 1407 C THR B 87 5.473 -3.907 -3.372 1.00 47.06 C ATOM 1408 O THR B 87 4.750 -3.364 -2.536 1.00 44.08 O ATOM 1409 CB THR B 87 7.366 -5.286 -2.269 1.00 51.60 C ATOM 1410 OG1 THR B 87 8.227 -4.261 -2.757 1.00 54.47 O ATOM 1411 CG2 THR B 87 8.111 -6.659 -2.277 1.00 53.01 C ATOM 1412 N LEU B 88 5.792 -3.343 -4.550 1.00 44.74 N ATOM 1413 CA LEU B 88 5.281 -2.039 -4.944 1.00 43.18 C ATOM 1414 C LEU B 88 3.770 -2.105 -5.041 1.00 48.67 C ATOM 1415 O LEU B 88 3.037 -1.241 -4.552 1.00 49.15 O ATOM 1416 CB LEU B 88 5.830 -1.642 -6.292 1.00 40.29 C ATOM 1417 CG LEU B 88 5.420 -0.247 -6.793 1.00 39.97 C ATOM 1418 CD1 LEU B 88 6.154 0.828 -6.033 1.00 38.33 C ATOM 1419 CD2 LEU B 88 5.738 -0.080 -8.245 1.00 38.97 C ATOM 1420 N ARG B 89 3.288 -3.154 -5.674 1.00 53.78 N ATOM 1421 CA ARG B 89 1.886 -3.211 -5.984 1.00 56.58 C ATOM 1422 C ARG B 89 1.144 -3.401 -4.668 1.00 55.13 C ATOM 1423 O ARG B 89 0.104 -2.772 -4.410 1.00 51.93 O ATOM 1424 CB ARG B 89 1.677 -4.302 -7.032 1.00 59.40 C ATOM 1425 CG ARG B 89 0.294 -4.942 -7.119 1.00 62.14 C ATOM 1426 CD ARG B 89 0.355 -6.150 -8.066 1.00 62.31 C ATOM 1427 NE ARG B 89 0.470 -5.585 -9.380 1.00 61.64 N ATOM 1428 CZ ARG B 89 -0.567 -5.311 -10.149 1.00 63.56 C ATOM 1429 NH1 ARG B 89 -1.801 -5.628 -9.771 1.00 63.09 N ATOM 1430 NH2 ARG B 89 -0.359 -4.737 -11.325 1.00 65.86 N ATOM 1431 N LYS B 90 1.738 -4.223 -3.815 1.00 56.67 N ATOM 1432 CA LYS B 90 1.265 -4.414 -2.447 1.00 58.58 C ATOM 1433 C LYS B 90 1.197 -3.109 -1.627 1.00 56.03 C ATOM 1434 O LYS B 90 0.195 -2.781 -0.965 1.00 52.22 O ATOM 1435 CB LYS B 90 2.198 -5.410 -1.753 1.00 62.34 C ATOM 1436 CG LYS B 90 1.970 -5.554 -0.252 1.00 64.52 C ATOM 1437 CD LYS B 90 2.694 -6.796 0.303 1.00 67.12 C ATOM 1438 CE LYS B 90 2.979 -6.682 1.828 1.00 67.43 C ATOM 1439 NZ LYS B 90 3.387 -7.998 2.422 1.00 66.92 N ATOM 1440 N LYS B 91 2.307 -2.398 -1.677 1.00 53.96 N ATOM 1441 CA LYS B 91 2.488 -1.136 -1.005 1.00 52.24 C ATOM 1442 C LYS B 91 1.496 -0.094 -1.518 1.00 51.21 C ATOM 1443 O LYS B 91 1.025 0.716 -0.742 1.00 50.20 O ATOM 1444 CB LYS B 91 3.922 -0.690 -1.273 1.00 51.43 C ATOM 1445 CG LYS B 91 4.552 0.207 -0.277 1.00 52.43 C ATOM 1446 CD LYS B 91 6.073 -0.071 -0.124 1.00 53.35 C ATOM 1447 CE LYS B 91 6.368 -1.138 0.953 1.00 54.02 C ATOM 1448 NZ LYS B 91 7.840 -1.312 1.207 1.00 54.16 N ATOM 1449 N LEU B 92 1.170 -0.109 -2.812 1.00 50.26 N ATOM 1450 CA LEU B 92 0.273 0.910 -3.367 1.00 52.89 C ATOM 1451 C LEU B 92 -1.136 0.705 -2.899 1.00 55.13 C ATOM 1452 O LEU B 92 -1.847 1.657 -2.624 1.00 54.72 O ATOM 1453 CB LEU B 92 0.239 0.873 -4.889 1.00 51.19 C ATOM 1454 CG LEU B 92 1.383 1.525 -5.654 1.00 49.14 C ATOM 1455 CD1 LEU B 92 1.333 1.045 -7.089 1.00 45.14 C ATOM 1456 CD2 LEU B 92 1.309 3.029 -5.545 1.00 44.03 C ATOM 1457 N LYS B 93 -1.541 -0.558 -2.860 1.00 62.11 N ATOM 1458 CA LYS B 93 -2.894 -0.952 -2.453 1.00 63.34 C ATOM 1459 C LYS B 93 -3.166 -0.499 -1.027 1.00 62.22 C ATOM 1460 O LYS B 93 -4.292 -0.140 -0.687 1.00 60.21 O ATOM 1461 CB LYS B 93 -3.054 -2.488 -2.561 1.00 67.37 C ATOM 1462 CG LYS B 93 -4.506 -3.002 -2.414 1.00 67.81 C ATOM 1463 CD LYS B 93 -4.580 -4.509 -2.105 1.00 68.65 C ATOM 1464 CE LYS B 93 -5.938 -4.915 -1.469 1.00 70.35 C ATOM 1465 NZ LYS B 93 -5.949 -6.332 -0.927 1.00 71.37 N ATOM 1466 N LYS B 94 -2.114 -0.544 -0.210 1.00 62.97 N ATOM 1467 CA LYS B 94 -2.146 -0.091 1.181 1.00 62.76 C ATOM 1468 C LYS B 94 -2.604 1.341 1.321 1.00 59.64 C ATOM 1469 O LYS B 94 -3.301 1.672 2.248 1.00 58.05 O ATOM 1470 CB LYS B 94 -0.754 -0.200 1.809 1.00 64.32 C ATOM 1471 CG LYS B 94 -0.740 0.030 3.301 1.00 64.42 C ATOM 1472 CD LYS B 94 0.644 -0.023 3.878 1.00 64.15 C ATOM 1473 CE LYS B 94 0.610 0.586 5.267 1.00 66.25 C ATOM 1474 NZ LYS B 94 1.892 0.422 6.024 1.00 68.65 N ATOM 1475 N TYR B 95 -2.201 2.190 0.399 1.00 60.65 N ATOM 1476 CA TYR B 95 -2.531 3.598 0.483 1.00 62.43 C ATOM 1477 C TYR B 95 -3.658 4.021 -0.444 1.00 61.86 C ATOM 1478 O TYR B 95 -3.952 5.208 -0.552 1.00 62.58 O ATOM 1479 CB TYR B 95 -1.276 4.413 0.194 1.00 60.67 C ATOM 1480 CG TYR B 95 -0.189 4.164 1.208 1.00 59.62 C ATOM 1481 CD1 TYR B 95 -0.296 4.676 2.489 1.00 59.01 C ATOM 1482 CD2 TYR B 95 0.936 3.431 0.889 1.00 58.61 C ATOM 1483 CE1 TYR B 95 0.676 4.470 3.428 1.00 59.01 C ATOM 1484 CE2 TYR B 95 1.931 3.228 1.827 1.00 59.89 C ATOM 1485 CZ TYR B 95 1.787 3.749 3.098 1.00 59.80 C ATOM 1486 OH TYR B 95 2.754 3.556 4.052 1.00 60.18 O ATOM 1487 N GLY B 96 -4.287 3.054 -1.094 1.00 62.69 N ATOM 1488 CA GLY B 96 -5.340 3.331 -2.057 1.00 67.60 C ATOM 1489 C GLY B 96 -4.916 3.981 -3.374 1.00 70.19 C ATOM 1490 O GLY B 96 -5.702 4.705 -3.974 1.00 71.60 O ATOM 1491 N MET B 97 -3.704 3.716 -3.854 1.00 73.42 N ATOM 1492 CA MET B 97 -3.207 4.392 -5.060 1.00 76.96 C ATOM 1493 C MET B 97 -3.336 3.551 -6.322 1.00 80.60 C ATOM 1494 O MET B 97 -2.339 3.047 -6.832 1.00 84.52 O ATOM 1495 CB MET B 97 -1.746 4.803 -4.872 1.00 77.18 C ATOM 1496 CG MET B 97 -1.532 5.742 -3.706 1.00 77.79 C ATOM 1497 SD MET B 97 0.084 6.504 -3.730 1.00 76.69 S ATOM 1498 CE MET B 97 0.031 7.185 -5.392 1.00 78.56 C ATOM 1499 N ASN B 98 -4.558 3.405 -6.831 1.00 83.82 N ATOM 1500 CA ASN B 98 -4.808 2.628 -8.075 1.00 84.64 C ATOM 1501 C ASN B 98 -6.188 2.903 -8.702 1.00 86.60 C ATOM 1502 O ASN B 98 -6.410 3.957 -9.305 1.00 86.80 O ATOM 1503 CB ASN B 98 -4.596 1.100 -7.860 1.00 83.77 C ATOM 1504 CG ASN B 98 -4.930 0.645 -6.444 1.00 81.87 C ATOM 1505 OD1 ASN B 98 -6.082 0.688 -6.027 1.00 82.74 O ATOM 1506 ND2 ASN B 98 -3.916 0.219 -5.702 1.00 79.65 N TER 1507 ASN B 98 ATOM 1508 O5' DA C 1 0.708 -5.948 -39.194 1.00 73.18 O ATOM 1509 C5' DA C 1 1.159 -7.253 -38.769 1.00 74.37 C ATOM 1510 C4' DA C 1 2.144 -7.165 -37.602 1.00 73.90 C ATOM 1511 O4' DA C 1 1.798 -5.968 -36.853 1.00 74.88 O ATOM 1512 C3' DA C 1 2.168 -8.336 -36.596 1.00 73.50 C ATOM 1513 O3' DA C 1 3.432 -9.136 -36.535 1.00 72.31 O ATOM 1514 C2' DA C 1 1.798 -7.689 -35.250 1.00 74.29 C ATOM 1515 C1' DA C 1 1.897 -6.179 -35.455 1.00 73.74 C ATOM 1516 N9 DA C 1 0.884 -5.376 -34.747 1.00 72.34 N ATOM 1517 C8 DA C 1 -0.476 -5.533 -34.681 1.00 71.76 C ATOM 1518 N7 DA C 1 -1.109 -4.633 -33.969 1.00 70.06 N ATOM 1519 C5 DA C 1 -0.078 -3.825 -33.535 1.00 72.75 C ATOM 1520 C6 DA C 1 -0.039 -2.675 -32.713 1.00 73.92 C ATOM 1521 N6 DA C 1 -1.133 -2.132 -32.176 1.00 73.75 N ATOM 1522 N1 DA C 1 1.166 -2.100 -32.460 1.00 73.19 N ATOM 1523 C2 DA C 1 2.272 -2.638 -32.992 1.00 72.64 C ATOM 1524 N3 DA C 1 2.362 -3.714 -33.780 1.00 73.86 N ATOM 1525 C4 DA C 1 1.148 -4.263 -34.007 1.00 72.86 C ATOM 1526 P DA C 2 4.959 -8.612 -36.315 1.00 71.47 P ATOM 1527 OP1 DA C 2 5.329 -7.611 -37.324 1.00 74.86 O ATOM 1528 OP2 DA C 2 5.845 -9.780 -36.102 1.00 68.46 O ATOM 1529 O5' DA C 2 4.931 -7.656 -35.057 1.00 72.74 O ATOM 1530 C5' DA C 2 5.926 -7.861 -34.124 1.00 71.57 C ATOM 1531 C4' DA C 2 6.743 -6.634 -33.806 1.00 69.22 C ATOM 1532 O4' DA C 2 5.971 -5.501 -33.345 1.00 67.18 O ATOM 1533 C3' DA C 2 7.566 -7.082 -32.626 1.00 69.11 C ATOM 1534 O3' DA C 2 8.794 -6.459 -32.650 1.00 69.90 O ATOM 1535 C2' DA C 2 6.670 -6.758 -31.425 1.00 67.77 C ATOM 1536 C1' DA C 2 5.836 -5.589 -31.919 1.00 66.22 C ATOM 1537 N9 DA C 2 4.421 -5.686 -31.573 1.00 65.02 N ATOM 1538 C8 DA C 2 3.534 -6.623 -32.010 1.00 64.32 C ATOM 1539 N7 DA C 2 2.319 -6.435 -31.562 1.00 64.87 N ATOM 1540 C5 DA C 2 2.411 -5.313 -30.771 1.00 64.33 C ATOM 1541 C6 DA C 2 1.456 -4.610 -30.026 1.00 64.01 C ATOM 1542 N6 DA C 2 0.182 -4.969 -29.942 1.00 63.39 N ATOM 1543 N1 DA C 2 1.877 -3.521 -29.360 1.00 65.26 N ATOM 1544 C2 DA C 2 3.165 -3.156 -29.435 1.00 65.27 C ATOM 1545 N3 DA C 2 4.152 -3.743 -30.112 1.00 64.65 N ATOM 1546 C4 DA C 2 3.704 -4.826 -30.771 1.00 64.76 C ATOM 1547 P DA C 3 9.834 -6.922 -31.541 1.00 72.27 P ATOM 1548 OP1 DA C 3 11.137 -6.440 -32.032 1.00 73.45 O ATOM 1549 OP2 DA C 3 9.624 -8.347 -31.173 1.00 71.88 O ATOM 1550 O5' DA C 3 9.416 -6.033 -30.287 1.00 71.30 O ATOM 1551 C5' DA C 3 9.255 -4.638 -30.453 1.00 69.28 C ATOM 1552 C4' DA C 3 8.805 -4.040 -29.149 1.00 68.06 C ATOM 1553 O4' DA C 3 7.394 -4.257 -28.936 1.00 64.68 O ATOM 1554 C3' DA C 3 9.487 -4.678 -27.954 1.00 68.78 C ATOM 1555 O3' DA C 3 9.714 -3.608 -27.091 1.00 75.90 O ATOM 1556 C2' DA C 3 8.461 -5.681 -27.448 1.00 65.72 C ATOM 1557 C1' DA C 3 7.231 -4.824 -27.650 1.00 63.04 C ATOM 1558 N9 DA C 3 5.960 -5.486 -27.725 1.00 61.32 N ATOM 1559 C8 DA C 3 5.704 -6.613 -28.411 1.00 61.29 C ATOM 1560 N7 DA C 3 4.451 -6.963 -28.350 1.00 61.95 N ATOM 1561 C5 DA C 3 3.860 -6.012 -27.573 1.00 60.12 C ATOM 1562 C6 DA C 3 2.539 -5.863 -27.161 1.00 60.89 C ATOM 1563 N6 DA C 3 1.597 -6.732 -27.512 1.00 60.87 N ATOM 1564 N1 DA C 3 2.237 -4.788 -26.413 1.00 60.98 N ATOM 1565 C2 DA C 3 3.230 -3.944 -26.102 1.00 62.19 C ATOM 1566 N3 DA C 3 4.528 -3.989 -26.427 1.00 61.89 N ATOM 1567 C4 DA C 3 4.774 -5.072 -27.182 1.00 61.26 C ATOM 1568 P DT C 4 10.403 -3.834 -25.668 1.00 81.80 P ATOM 1569 OP1 DT C 4 11.419 -2.744 -25.590 1.00 77.89 O ATOM 1570 OP2 DT C 4 10.687 -5.306 -25.471 1.00 78.25 O ATOM 1571 O5' DT C 4 9.247 -3.427 -24.649 1.00 79.74 O ATOM 1572 C5' DT C 4 8.604 -2.164 -24.735 1.00 77.55 C ATOM 1573 C4' DT C 4 7.495 -2.169 -23.708 1.00 75.77 C ATOM 1574 O4' DT C 4 6.465 -3.098 -24.143 1.00 75.30 O ATOM 1575 C3' DT C 4 7.964 -2.623 -22.325 1.00 73.72 C ATOM 1576 O3' DT C 4 7.636 -1.605 -21.429 1.00 73.26 O ATOM 1577 C2' DT C 4 7.233 -3.945 -22.087 1.00 72.84 C ATOM 1578 C1' DT C 4 6.027 -3.822 -23.014 1.00 73.15 C ATOM 1579 N1 DT C 4 5.430 -5.115 -23.485 1.00 72.50 N ATOM 1580 C2 DT C 4 4.111 -5.396 -23.206 1.00 71.25 C ATOM 1581 O2 DT C 4 3.388 -4.657 -22.584 1.00 71.16 O ATOM 1582 N3 DT C 4 3.644 -6.594 -23.669 1.00 72.20 N ATOM 1583 C4 DT C 4 4.361 -7.520 -24.396 1.00 72.43 C ATOM 1584 O4 DT C 4 3.834 -8.559 -24.757 1.00 72.24 O ATOM 1585 C5 DT C 4 5.743 -7.191 -24.665 1.00 72.20 C ATOM 1586 C7 DT C 4 6.696 -8.262 -25.088 1.00 67.03 C ATOM 1587 C6 DT C 4 6.202 -6.009 -24.208 1.00 73.86 C ATOM 1588 P DT C 5 7.938 -1.666 -19.858 1.00 74.79 P ATOM 1589 OP1 DT C 5 8.459 -0.315 -19.530 1.00 73.12 O ATOM 1590 OP2 DT C 5 8.635 -2.905 -19.410 1.00 72.96 O ATOM 1591 O5' DT C 5 6.447 -1.827 -19.315 1.00 69.05 O ATOM 1592 C5' DT C 5 5.344 -1.178 -19.905 1.00 61.52 C ATOM 1593 C4' DT C 5 4.097 -1.822 -19.345 1.00 59.45 C ATOM 1594 O4' DT C 5 3.869 -3.109 -19.967 1.00 56.09 O ATOM 1595 C3' DT C 5 4.131 -2.121 -17.847 1.00 59.33 C ATOM 1596 O3' DT C 5 2.985 -1.542 -17.275 1.00 58.80 O ATOM 1597 C2' DT C 5 4.172 -3.655 -17.743 1.00 56.41 C ATOM 1598 C1' DT C 5 3.396 -4.007 -18.991 1.00 55.22 C ATOM 1599 N1 DT C 5 3.602 -5.371 -19.525 1.00 54.99 N ATOM 1600 C2 DT C 5 2.502 -6.150 -19.838 1.00 55.01 C ATOM 1601 O2 DT C 5 1.319 -5.835 -19.701 1.00 53.23 O ATOM 1602 N3 DT C 5 2.847 -7.386 -20.311 1.00 55.82 N ATOM 1603 C4 DT C 5 4.112 -7.894 -20.548 1.00 54.51 C ATOM 1604 O4 DT C 5 4.242 -9.025 -21.009 1.00 57.45 O ATOM 1605 C5 DT C 5 5.217 -7.046 -20.226 1.00 50.77 C ATOM 1606 C7 DT C 5 6.528 -7.263 -20.915 1.00 44.85 C ATOM 1607 C6 DT C 5 4.897 -5.842 -19.728 1.00 54.13 C ATOM 1608 P DT C 6 2.754 -1.545 -15.698 1.00 60.79 P ATOM 1609 OP1 DT C 6 2.158 -0.192 -15.475 1.00 61.98 O ATOM 1610 OP2 DT C 6 3.967 -1.999 -14.970 1.00 56.44 O ATOM 1611 O5' DT C 6 1.627 -2.677 -15.511 1.00 61.62 O ATOM 1612 C5' DT C 6 0.318 -2.410 -16.055 1.00 61.54 C ATOM 1613 C4' DT C 6 -0.583 -3.618 -16.027 1.00 61.15 C ATOM 1614 O4' DT C 6 0.093 -4.756 -16.634 1.00 59.96 O ATOM 1615 C3' DT C 6 -1.000 -4.069 -14.624 1.00 63.63 C ATOM 1616 O3' DT C 6 -2.457 -4.176 -14.578 1.00 66.87 O ATOM 1617 C2' DT C 6 -0.249 -5.409 -14.446 1.00 62.16 C ATOM 1618 C1' DT C 6 -0.133 -5.945 -15.866 1.00 58.81 C ATOM 1619 N1 DT C 6 0.961 -6.935 -16.244 1.00 55.97 N ATOM 1620 C2 DT C 6 0.653 -8.194 -16.659 1.00 54.47 C ATOM 1621 O2 DT C 6 -0.474 -8.630 -16.678 1.00 54.32 O ATOM 1622 N3 DT C 6 1.720 -8.966 -17.029 1.00 55.77 N ATOM 1623 C4 DT C 6 3.054 -8.624 -17.065 1.00 57.08 C ATOM 1624 O4 DT C 6 3.976 -9.369 -17.418 1.00 56.98 O ATOM 1625 C5 DT C 6 3.306 -7.301 -16.637 1.00 57.09 C ATOM 1626 C7 DT C 6 4.717 -6.806 -16.709 1.00 60.16 C ATOM 1627 C6 DT C 6 2.273 -6.533 -16.270 1.00 57.08 C ATOM 1628 P DG C 7 -3.398 -4.174 -13.271 1.00 65.77 P ATOM 1629 OP1 DG C 7 -4.747 -3.827 -13.761 1.00 67.38 O ATOM 1630 OP2 DG C 7 -2.776 -3.321 -12.245 1.00 64.50 O ATOM 1631 O5' DG C 7 -3.459 -5.707 -12.829 1.00 66.24 O ATOM 1632 C5' DG C 7 -4.158 -6.553 -13.737 1.00 68.80 C ATOM 1633 C4' DG C 7 -4.095 -8.026 -13.407 1.00 69.93 C ATOM 1634 O4' DG C 7 -2.887 -8.614 -13.946 1.00 68.92 O ATOM 1635 C3' DG C 7 -4.105 -8.348 -11.926 1.00 72.00 C ATOM 1636 O3' DG C 7 -4.994 -9.403 -11.768 1.00 76.38 O ATOM 1637 C2' DG C 7 -2.668 -8.767 -11.638 1.00 71.18 C ATOM 1638 C1' DG C 7 -2.276 -9.410 -12.957 1.00 68.91 C ATOM 1639 N9 DG C 7 -0.840 -9.444 -13.200 1.00 69.12 N ATOM 1640 C8 DG C 7 0.081 -8.467 -12.890 1.00 68.95 C ATOM 1641 N7 DG C 7 1.305 -8.761 -13.253 1.00 69.68 N ATOM 1642 C5 DG C 7 1.191 -10.024 -13.831 1.00 69.90 C ATOM 1643 C6 DG C 7 2.186 -10.859 -14.389 1.00 68.82 C ATOM 1644 O6 DG C 7 3.408 -10.644 -14.475 1.00 68.11 O ATOM 1645 N1 DG C 7 1.635 -12.047 -14.865 1.00 68.61 N ATOM 1646 C2 DG C 7 0.301 -12.366 -14.817 1.00 67.96 C ATOM 1647 N2 DG C 7 -0.056 -13.541 -15.333 1.00 68.13 N ATOM 1648 N3 DG C 7 -0.630 -11.605 -14.289 1.00 67.28 N ATOM 1649 C4 DG C 7 -0.123 -10.453 -13.811 1.00 68.87 C ATOM 1650 P DT C 8 -5.635 -9.811 -10.367 1.00 81.75 P ATOM 1651 OP1 DT C 8 -7.078 -9.514 -10.573 1.00 80.76 O ATOM 1652 OP2 DT C 8 -4.852 -9.242 -9.230 1.00 80.68 O ATOM 1653 O5' DT C 8 -5.346 -11.392 -10.299 1.00 79.93 O ATOM 1654 C5' DT C 8 -4.190 -11.798 -9.577 1.00 79.69 C ATOM 1655 C4' DT C 8 -3.548 -12.986 -10.240 1.00 79.83 C ATOM 1656 O4' DT C 8 -2.533 -12.574 -11.178 1.00 80.34 O ATOM 1657 C3' DT C 8 -2.834 -13.878 -9.254 1.00 80.40 C ATOM 1658 O3' DT C 8 -3.781 -14.838 -8.839 1.00 83.52 O ATOM 1659 C2' DT C 8 -1.695 -14.478 -10.072 1.00 79.79 C ATOM 1660 C1' DT C 8 -1.497 -13.547 -11.260 1.00 78.74 C ATOM 1661 N1 DT C 8 -0.132 -12.902 -11.228 1.00 77.62 N ATOM 1662 C2 DT C 8 1.009 -13.550 -11.723 1.00 75.20 C ATOM 1663 O2 DT C 8 1.081 -14.662 -12.226 1.00 73.48 O ATOM 1664 N3 DT C 8 2.151 -12.828 -11.585 1.00 74.67 N ATOM 1665 C4 DT C 8 2.244 -11.577 -11.038 1.00 75.84 C ATOM 1666 O4 DT C 8 3.309 -11.007 -10.953 1.00 77.02 O ATOM 1667 C5 DT C 8 1.049 -10.969 -10.547 1.00 75.80 C ATOM 1668 C7 DT C 8 1.143 -9.685 -9.783 1.00 78.94 C ATOM 1669 C6 DT C 8 -0.083 -11.643 -10.656 1.00 76.33 C ATOM 1670 P DT C 9 -3.540 -15.883 -7.658 1.00 86.70 P ATOM 1671 OP1 DT C 9 -4.798 -16.657 -7.651 1.00 85.97 O ATOM 1672 OP2 DT C 9 -3.035 -15.113 -6.478 1.00 85.68 O ATOM 1673 O5' DT C 9 -2.381 -16.900 -8.097 1.00 85.25 O ATOM 1674 C5' DT C 9 -2.562 -17.858 -9.119 1.00 83.61 C ATOM 1675 C4' DT C 9 -1.249 -18.587 -9.292 1.00 83.71 C ATOM 1676 O4' DT C 9 -0.218 -17.676 -9.729 1.00 83.73 O ATOM 1677 C3' DT C 9 -0.731 -19.195 -8.003 1.00 84.34 C ATOM 1678 O3' DT C 9 -0.631 -20.593 -8.210 1.00 86.15 O ATOM 1679 C2' DT C 9 0.623 -18.542 -7.730 1.00 83.50 C ATOM 1680 C1' DT C 9 1.003 -17.914 -9.060 1.00 83.78 C ATOM 1681 N1 DT C 9 1.751 -16.615 -8.900 1.00 85.26 N ATOM 1682 C2 DT C 9 3.030 -16.416 -9.437 1.00 85.08 C ATOM 1683 O2 DT C 9 3.667 -17.225 -10.085 1.00 84.04 O ATOM 1684 N3 DT C 9 3.570 -15.177 -9.184 1.00 84.61 N ATOM 1685 C4 DT C 9 2.972 -14.160 -8.464 1.00 83.73 C ATOM 1686 O4 DT C 9 3.505 -13.086 -8.295 1.00 85.22 O ATOM 1687 C5 DT C 9 1.655 -14.390 -7.956 1.00 83.45 C ATOM 1688 C7 DT C 9 0.785 -13.175 -7.822 1.00 81.13 C ATOM 1689 C6 DT C 9 1.122 -15.603 -8.176 1.00 84.72 C ATOM 1690 P DT C 10 -0.361 -21.578 -6.983 1.00 85.16 P ATOM 1691 OP1 DT C 10 -0.931 -22.865 -7.419 1.00 84.12 O ATOM 1692 OP2 DT C 10 -0.786 -20.912 -5.727 1.00 84.49 O ATOM 1693 O5' DT C 10 1.229 -21.716 -6.950 1.00 84.33 O ATOM 1694 C5' DT C 10 1.896 -22.140 -8.129 1.00 85.54 C ATOM 1695 C4' DT C 10 3.385 -22.146 -7.891 1.00 86.09 C ATOM 1696 O4' DT C 10 3.893 -20.784 -7.977 1.00 85.80 O ATOM 1697 C3' DT C 10 3.737 -22.691 -6.513 1.00 87.29 C ATOM 1698 O3' DT C 10 4.797 -23.636 -6.586 1.00 89.83 O ATOM 1699 C2' DT C 10 4.124 -21.435 -5.746 1.00 87.85 C ATOM 1700 C1' DT C 10 4.663 -20.504 -6.831 1.00 86.37 C ATOM 1701 N1 DT C 10 4.612 -19.024 -6.487 1.00 85.89 N ATOM 1702 C2 DT C 10 5.682 -18.241 -6.849 1.00 86.50 C ATOM 1703 O2 DT C 10 6.651 -18.683 -7.434 1.00 86.50 O ATOM 1704 N3 DT C 10 5.590 -16.913 -6.504 1.00 87.38 N ATOM 1705 C4 DT C 10 4.547 -16.296 -5.844 1.00 86.39 C ATOM 1706 O4 DT C 10 4.564 -15.094 -5.593 1.00 85.95 O ATOM 1707 C5 DT C 10 3.454 -17.164 -5.483 1.00 85.69 C ATOM 1708 C7 DT C 10 2.170 -16.569 -4.987 1.00 85.02 C ATOM 1709 C6 DT C 10 3.539 -18.463 -5.811 1.00 85.68 C ATOM 1710 P DG C 11 5.079 -24.692 -5.413 1.00 90.76 P ATOM 1711 OP1 DG C 11 4.793 -26.017 -5.992 1.00 89.14 O ATOM 1712 OP2 DG C 11 4.438 -24.203 -4.162 1.00 90.11 O ATOM 1713 O5' DG C 11 6.656 -24.612 -5.143 1.00 93.47 O ATOM 1714 C5' DG C 11 7.634 -24.367 -6.165 1.00 94.62 C ATOM 1715 C4' DG C 11 8.686 -23.400 -5.640 1.00 95.51 C ATOM 1716 O4' DG C 11 8.117 -22.068 -5.426 1.00 95.96 O ATOM 1717 C3' DG C 11 9.282 -23.802 -4.292 1.00 95.78 C ATOM 1718 O3' DG C 11 10.697 -23.648 -4.338 1.00 95.33 O ATOM 1719 C2' DG C 11 8.605 -22.834 -3.319 1.00 96.79 C ATOM 1720 C1' DG C 11 8.557 -21.566 -4.173 1.00 96.93 C ATOM 1721 N9 DG C 11 7.683 -20.470 -3.726 1.00 96.71 N ATOM 1722 C8 DG C 11 6.445 -20.555 -3.135 1.00 97.13 C ATOM 1723 N7 DG C 11 5.897 -19.397 -2.869 1.00 97.12 N ATOM 1724 C5 DG C 11 6.832 -18.469 -3.303 1.00 96.90 C ATOM 1725 C6 DG C 11 6.805 -17.044 -3.272 1.00 96.72 C ATOM 1726 O6 DG C 11 5.940 -16.266 -2.852 1.00 96.63 O ATOM 1727 N1 DG C 11 7.947 -16.490 -3.826 1.00 97.27 N ATOM 1728 C2 DG C 11 8.994 -17.239 -4.329 1.00 97.78 C ATOM 1729 N2 DG C 11 10.015 -16.518 -4.817 1.00 97.98 N ATOM 1730 N3 DG C 11 9.048 -18.572 -4.370 1.00 96.61 N ATOM 1731 C4 DG C 11 7.933 -19.121 -3.835 1.00 96.66 C ATOM 1732 P DA C 12 11.630 -24.732 -3.637 1.00 95.42 P ATOM 1733 OP1 DA C 12 11.755 -25.835 -4.612 1.00 97.60 O ATOM 1734 OP2 DA C 12 11.095 -24.933 -2.266 1.00 94.72 O ATOM 1735 O5' DA C 12 13.093 -24.107 -3.494 1.00 94.39 O ATOM 1736 C5' DA C 12 13.598 -23.102 -4.357 1.00 91.85 C ATOM 1737 C4' DA C 12 13.778 -21.790 -3.604 1.00 89.76 C ATOM 1738 O4' DA C 12 12.507 -21.280 -3.125 1.00 87.62 O ATOM 1739 C3' DA C 12 14.666 -21.821 -2.360 1.00 88.60 C ATOM 1740 O3' DA C 12 15.906 -21.172 -2.686 1.00 89.90 O ATOM 1741 C2' DA C 12 13.822 -21.085 -1.308 1.00 88.03 C ATOM 1742 C1' DA C 12 12.837 -20.310 -2.170 1.00 85.79 C ATOM 1743 N9 DA C 12 11.601 -19.773 -1.596 1.00 84.45 N ATOM 1744 C8 DA C 12 10.452 -20.404 -1.206 1.00 83.31 C ATOM 1745 N7 DA C 12 9.527 -19.591 -0.758 1.00 82.68 N ATOM 1746 C5 DA C 12 10.108 -18.327 -0.870 1.00 84.93 C ATOM 1747 C6 DA C 12 9.696 -16.982 -0.582 1.00 85.80 C ATOM 1748 N6 DA C 12 8.510 -16.624 -0.076 1.00 85.60 N ATOM 1749 N1 DA C 12 10.553 -15.957 -0.826 1.00 85.08 N ATOM 1750 C2 DA C 12 11.758 -16.235 -1.336 1.00 85.54 C ATOM 1751 N3 DA C 12 12.253 -17.441 -1.646 1.00 86.39 N ATOM 1752 C4 DA C 12 11.381 -18.440 -1.392 1.00 85.16 C ATOM 1753 P DA C 13 17.184 -21.117 -1.710 1.00 92.37 P ATOM 1754 OP1 DA C 13 18.352 -21.407 -2.583 1.00 92.32 O ATOM 1755 OP2 DA C 13 16.887 -21.986 -0.552 1.00 91.37 O ATOM 1756 O5' DA C 13 17.246 -19.594 -1.153 1.00 89.30 O ATOM 1757 C5' DA C 13 17.306 -18.494 -2.074 1.00 87.12 C ATOM 1758 C4' DA C 13 17.280 -17.131 -1.411 1.00 86.19 C ATOM 1759 O4' DA C 13 15.974 -16.816 -0.852 1.00 85.44 O ATOM 1760 C3' DA C 13 18.263 -16.953 -0.271 1.00 85.91 C ATOM 1761 O3' DA C 13 18.903 -15.706 -0.528 1.00 86.55 O ATOM 1762 C2' DA C 13 17.381 -17.046 0.994 1.00 85.03 C ATOM 1763 C1' DA C 13 16.045 -16.483 0.528 1.00 83.58 C ATOM 1764 N9 DA C 13 14.797 -17.023 1.084 1.00 82.53 N ATOM 1765 C8 DA C 13 14.444 -18.334 1.294 1.00 82.42 C ATOM 1766 N7 DA C 13 13.231 -18.516 1.766 1.00 80.58 N ATOM 1767 C5 DA C 13 12.752 -17.232 1.848 1.00 80.49 C ATOM 1768 C6 DA C 13 11.521 -16.719 2.269 1.00 81.74 C ATOM 1769 N6 DA C 13 10.535 -17.494 2.700 1.00 81.60 N ATOM 1770 N1 DA C 13 11.342 -15.370 2.240 1.00 83.53 N ATOM 1771 C2 DA C 13 12.336 -14.572 1.808 1.00 82.92 C ATOM 1772 N3 DA C 13 13.546 -14.954 1.382 1.00 83.59 N ATOM 1773 C4 DA C 13 13.689 -16.301 1.430 1.00 81.80 C ATOM 1774 P DA C 14 19.749 -14.993 0.619 1.00 89.19 P ATOM 1775 OP1 DA C 14 20.730 -14.041 0.050 1.00 90.12 O ATOM 1776 OP2 DA C 14 20.227 -16.093 1.488 1.00 88.98 O ATOM 1777 O5' DA C 14 18.626 -14.128 1.357 1.00 84.19 O ATOM 1778 C5' DA C 14 18.141 -12.965 0.734 1.00 77.98 C ATOM 1779 C4' DA C 14 17.460 -12.098 1.770 1.00 75.39 C ATOM 1780 O4' DA C 14 16.294 -12.761 2.335 1.00 73.10 O ATOM 1781 C3' DA C 14 18.304 -11.674 2.955 1.00 71.92 C ATOM 1782 O3' DA C 14 17.912 -10.341 3.164 1.00 72.39 O ATOM 1783 C2' DA C 14 17.862 -12.675 4.020 1.00 71.25 C ATOM 1784 C1' DA C 14 16.369 -12.775 3.735 1.00 70.59 C ATOM 1785 N9 DA C 14 15.671 -13.997 4.130 1.00 71.29 N ATOM 1786 C8 DA C 14 16.150 -15.291 4.169 1.00 72.33 C ATOM 1787 N7 DA C 14 15.268 -16.207 4.541 1.00 71.43 N ATOM 1788 C5 DA C 14 14.125 -15.455 4.762 1.00 71.38 C ATOM 1789 C6 DA C 14 12.822 -15.804 5.181 1.00 70.84 C ATOM 1790 N6 DA C 14 12.468 -17.060 5.451 1.00 69.72 N ATOM 1791 N1 DA C 14 11.894 -14.814 5.292 1.00 70.86 N ATOM 1792 C2 DA C 14 12.259 -13.561 5.003 1.00 70.24 C ATOM 1793 N3 DA C 14 13.455 -13.110 4.602 1.00 70.05 N ATOM 1794 C4 DA C 14 14.350 -14.104 4.498 1.00 70.98 C ATOM 1795 P DA C 15 18.444 -9.382 4.334 1.00 79.39 P ATOM 1796 OP1 DA C 15 18.626 -8.020 3.765 1.00 77.25 O ATOM 1797 OP2 DA C 15 19.536 -10.071 5.063 1.00 79.01 O ATOM 1798 O5' DA C 15 17.222 -9.258 5.356 1.00 77.12 O ATOM 1799 C5' DA C 15 15.980 -8.911 4.789 1.00 76.81 C ATOM 1800 C4' DA C 15 14.915 -8.709 5.830 1.00 75.05 C ATOM 1801 O4' DA C 15 14.355 -9.987 6.231 1.00 74.68 O ATOM 1802 C3' DA C 15 15.426 -8.034 7.082 1.00 74.92 C ATOM 1803 O3' DA C 15 14.436 -7.080 7.453 1.00 75.63 O ATOM 1804 C2' DA C 15 15.608 -9.219 8.025 1.00 75.80 C ATOM 1805 C1' DA C 15 14.482 -10.161 7.626 1.00 75.00 C ATOM 1806 N9 DA C 15 14.717 -11.579 7.778 1.00 74.80 N ATOM 1807 C8 DA C 15 15.904 -12.230 7.573 1.00 76.70 C ATOM 1808 N7 DA C 15 15.837 -13.540 7.729 1.00 78.10 N ATOM 1809 C5 DA C 15 14.504 -13.746 8.052 1.00 76.98 C ATOM 1810 C6 DA C 15 13.788 -14.927 8.333 1.00 75.38 C ATOM 1811 N6 DA C 15 14.407 -16.100 8.321 1.00 74.40 N ATOM 1812 N1 DA C 15 12.469 -14.839 8.633 1.00 74.79 N ATOM 1813 C2 DA C 15 11.920 -13.612 8.618 1.00 76.17 C ATOM 1814 N3 DA C 15 12.497 -12.421 8.350 1.00 75.52 N ATOM 1815 C4 DA C 15 13.801 -12.552 8.081 1.00 75.47 C ATOM 1816 P DA C 16 14.464 -6.228 8.795 1.00 72.41 P ATOM 1817 OP1 DA C 16 13.872 -4.894 8.559 1.00 72.07 O ATOM 1818 OP2 DA C 16 15.820 -6.366 9.378 1.00 71.70 O ATOM 1819 O5' DA C 16 13.396 -7.089 9.627 1.00 73.83 O ATOM 1820 C5' DA C 16 11.998 -7.145 9.246 1.00 72.03 C ATOM 1821 C4' DA C 16 11.137 -7.865 10.297 1.00 71.87 C ATOM 1822 O4' DA C 16 11.355 -9.317 10.340 1.00 69.61 O ATOM 1823 C3' DA C 16 11.362 -7.364 11.721 1.00 71.45 C ATOM 1824 O3' DA C 16 10.101 -7.268 12.355 1.00 72.13 O ATOM 1825 C2' DA C 16 12.279 -8.433 12.288 1.00 70.95 C ATOM 1826 C1' DA C 16 11.747 -9.707 11.631 1.00 71.30 C ATOM 1827 N9 DA C 16 12.732 -10.788 11.598 1.00 70.61 N ATOM 1828 C8 DA C 16 14.079 -10.709 11.377 1.00 72.84 C ATOM 1829 N7 DA C 16 14.744 -11.841 11.410 1.00 69.63 N ATOM 1830 C5 DA C 16 13.755 -12.717 11.691 1.00 69.34 C ATOM 1831 C6 DA C 16 13.819 -14.099 11.855 1.00 73.05 C ATOM 1832 N6 DA C 16 14.977 -14.771 11.774 1.00 72.44 N ATOM 1833 N1 DA C 16 12.640 -14.740 12.104 1.00 74.89 N ATOM 1834 C2 DA C 16 11.500 -13.999 12.185 1.00 74.39 C ATOM 1835 N3 DA C 16 11.338 -12.674 12.062 1.00 72.46 N ATOM 1836 C4 DA C 16 12.520 -12.101 11.817 1.00 69.63 C ATOM 1837 P DT C 17 9.815 -6.525 13.741 1.00 72.03 P ATOM 1838 OP1 DT C 17 8.552 -5.775 13.614 1.00 71.69 O ATOM 1839 OP2 DT C 17 10.987 -5.728 14.174 1.00 71.09 O ATOM 1840 O5' DT C 17 9.548 -7.893 14.581 1.00 74.51 O ATOM 1841 C5' DT C 17 8.435 -8.757 14.194 1.00 76.43 C ATOM 1842 C4' DT C 17 8.304 -10.078 14.943 1.00 78.78 C ATOM 1843 O4' DT C 17 9.324 -10.993 14.489 1.00 81.07 O ATOM 1844 C3' DT C 17 8.500 -10.020 16.446 1.00 81.22 C ATOM 1845 O3' DT C 17 7.269 -10.199 17.167 1.00 85.07 O ATOM 1846 C2' DT C 17 9.453 -11.152 16.804 1.00 80.58 C ATOM 1847 C1' DT C 17 9.708 -11.884 15.512 1.00 78.31 C ATOM 1848 N1 DT C 17 11.151 -12.222 15.377 1.00 77.08 N ATOM 1849 C2 DT C 17 11.581 -13.532 15.437 1.00 77.30 C ATOM 1850 O2 DT C 17 10.849 -14.504 15.568 1.00 78.39 O ATOM 1851 N3 DT C 17 12.930 -13.711 15.297 1.00 75.93 N ATOM 1852 C4 DT C 17 13.860 -12.724 15.138 1.00 75.92 C ATOM 1853 O4 DT C 17 15.048 -12.942 15.025 1.00 75.42 O ATOM 1854 C5 DT C 17 13.357 -11.400 15.087 1.00 77.94 C ATOM 1855 C7 DT C 17 14.338 -10.302 14.818 1.00 81.72 C ATOM 1856 C6 DT C 17 12.046 -11.195 15.218 1.00 77.10 C ATOM 1857 P DG C 18 7.266 -9.750 18.719 1.00 87.24 P ATOM 1858 OP1 DG C 18 5.951 -9.166 19.072 1.00 86.27 O ATOM 1859 OP2 DG C 18 8.535 -9.035 19.029 1.00 81.78 O ATOM 1860 O5' DG C 18 7.359 -11.184 19.403 1.00 89.72 O ATOM 1861 C5' DG C 18 6.632 -12.304 18.917 1.00 89.90 C ATOM 1862 C4' DG C 18 7.085 -13.474 19.764 1.00 90.31 C ATOM 1863 O4' DG C 18 8.431 -13.835 19.350 1.00 89.02 O ATOM 1864 C3' DG C 18 7.166 -13.215 21.270 1.00 89.93 C ATOM 1865 O3' DG C 18 6.775 -14.423 21.960 1.00 93.76 O ATOM 1866 C2' DG C 18 8.635 -12.846 21.463 1.00 87.93 C ATOM 1867 C1' DG C 18 9.273 -13.807 20.468 1.00 86.57 C ATOM 1868 N9 DG C 18 10.588 -13.441 19.998 1.00 85.61 N ATOM 1869 C8 DG C 18 11.115 -12.188 19.803 1.00 86.57 C ATOM 1870 N7 DG C 18 12.346 -12.202 19.362 1.00 86.20 N ATOM 1871 C5 DG C 18 12.646 -13.551 19.267 1.00 86.00 C ATOM 1872 C6 DG C 18 13.839 -14.205 18.856 1.00 86.80 C ATOM 1873 O6 DG C 18 14.911 -13.717 18.480 1.00 86.46 O ATOM 1874 N1 DG C 18 13.718 -15.589 18.913 1.00 86.10 N ATOM 1875 C2 DG C 18 12.571 -16.228 19.309 1.00 85.83 C ATOM 1876 N2 DG C 18 12.630 -17.554 19.298 1.00 86.65 N ATOM 1877 N3 DG C 18 11.447 -15.645 19.694 1.00 84.53 N ATOM 1878 C4 DG C 18 11.565 -14.312 19.650 1.00 84.61 C ATOM 1879 P DA C 19 6.653 -14.519 23.564 1.00 94.61 P ATOM 1880 OP1 DA C 19 5.377 -15.226 23.834 1.00 93.70 O ATOM 1881 OP2 DA C 19 6.893 -13.157 24.112 1.00 93.86 O ATOM 1882 O5' DA C 19 7.875 -15.454 24.005 1.00 89.77 O ATOM 1883 C5' DA C 19 8.267 -16.530 23.180 1.00 88.66 C ATOM 1884 C4' DA C 19 9.444 -17.234 23.810 1.00 88.96 C ATOM 1885 O4' DA C 19 10.673 -16.891 23.114 1.00 87.28 O ATOM 1886 C3' DA C 19 9.666 -16.937 25.302 1.00 90.90 C ATOM 1887 O3' DA C 19 9.854 -18.243 25.943 1.00 95.64 O ATOM 1888 C2' DA C 19 10.839 -15.959 25.270 1.00 89.22 C ATOM 1889 C1' DA C 19 11.630 -16.430 24.046 1.00 87.94 C ATOM 1890 N9 DA C 19 12.503 -15.404 23.458 1.00 88.20 N ATOM 1891 C8 DA C 19 12.330 -14.033 23.399 1.00 88.39 C ATOM 1892 N7 DA C 19 13.323 -13.394 22.817 1.00 87.37 N ATOM 1893 C5 DA C 19 14.205 -14.402 22.470 1.00 87.09 C ATOM 1894 C6 DA C 19 15.459 -14.408 21.825 1.00 87.28 C ATOM 1895 N6 DA C 19 16.078 -13.324 21.391 1.00 87.95 N ATOM 1896 N1 DA C 19 16.080 -15.583 21.628 1.00 88.14 N ATOM 1897 C2 DA C 19 15.474 -16.694 22.065 1.00 88.74 C ATOM 1898 N3 DA C 19 14.298 -16.823 22.692 1.00 88.47 N ATOM 1899 C4 DA C 19 13.712 -15.634 22.861 1.00 87.33 C ATOM 1900 P DG C 20 10.496 -18.688 27.350 1.00 95.17 P ATOM 1901 OP1 DG C 20 9.405 -19.387 28.065 1.00 95.29 O ATOM 1902 OP2 DG C 20 11.264 -17.588 27.993 1.00 93.92 O ATOM 1903 O5' DG C 20 11.535 -19.789 26.821 1.00 95.40 O ATOM 1904 C5' DG C 20 12.650 -20.134 27.604 1.00 97.84 C ATOM 1905 C4' DG C 20 13.940 -19.490 27.137 1.00 98.79 C ATOM 1906 O4' DG C 20 13.803 -18.167 26.597 1.00100.03 O ATOM 1907 C3' DG C 20 14.905 -19.182 28.259 1.00100.58 C ATOM 1908 O3' DG C 20 15.519 -20.383 28.645 1.00103.18 O ATOM 1909 C2' DG C 20 15.893 -18.208 27.630 1.00100.23 C ATOM 1910 C1' DG C 20 15.144 -17.743 26.396 1.00100.55 C ATOM 1911 N9 DG C 20 15.221 -16.303 26.173 1.00100.78 N ATOM 1912 C8 DG C 20 14.245 -15.371 26.454 1.00100.85 C ATOM 1913 N7 DG C 20 14.600 -14.155 26.140 1.00101.19 N ATOM 1914 C5 DG C 20 15.887 -14.290 25.621 1.00101.24 C ATOM 1915 C6 DG C 20 16.769 -13.300 25.112 1.00101.49 C ATOM 1916 O6 DG C 20 16.564 -12.072 25.030 1.00100.81 O ATOM 1917 N1 DG C 20 17.988 -13.851 24.696 1.00100.51 N ATOM 1918 C2 DG C 20 18.293 -15.191 24.755 1.00 99.43 C ATOM 1919 N2 DG C 20 19.505 -15.524 24.307 1.00 99.82 N ATOM 1920 N3 DG C 20 17.478 -16.128 25.222 1.00 98.37 N ATOM 1921 C4 DG C 20 16.291 -15.611 25.634 1.00100.12 C ATOM 1922 P DC C 21 15.829 -20.729 30.174 1.00104.70 P ATOM 1923 OP1 DC C 21 16.152 -22.176 30.092 1.00103.56 O ATOM 1924 OP2 DC C 21 14.724 -20.217 31.035 1.00103.75 O ATOM 1925 O5' DC C 21 17.157 -19.881 30.546 1.00104.09 O ATOM 1926 C5' DC C 21 18.422 -20.265 29.978 1.00103.28 C ATOM 1927 C4' DC C 21 19.440 -19.137 29.911 1.00102.82 C ATOM 1928 O4' DC C 21 18.927 -18.029 29.132 1.00103.30 O ATOM 1929 C3' DC C 21 19.831 -18.510 31.241 1.00102.71 C ATOM 1930 O3' DC C 21 21.055 -19.066 31.661 1.00104.31 O ATOM 1931 C2' DC C 21 20.019 -17.025 30.938 1.00102.08 C ATOM 1932 C1' DC C 21 19.666 -16.868 29.461 1.00 99.84 C ATOM 1933 N1 DC C 21 18.874 -15.615 29.117 1.00 97.38 N ATOM 1934 C2 DC C 21 19.526 -14.542 28.508 1.00 96.96 C ATOM 1935 O2 DC C 21 20.733 -14.632 28.262 1.00 96.56 O ATOM 1936 N3 DC C 21 18.816 -13.429 28.204 1.00 97.71 N ATOM 1937 C4 DC C 21 17.517 -13.359 28.474 1.00 96.97 C ATOM 1938 N4 DC C 21 16.880 -12.236 28.143 1.00 97.06 N ATOM 1939 C5 DC C 21 16.827 -14.438 29.091 1.00 96.26 C ATOM 1940 C6 DC C 21 17.537 -15.531 29.396 1.00 95.95 C ATOM 1941 P DA C 22 21.468 -19.158 33.199 1.00104.89 P ATOM 1942 OP1 DA C 22 21.623 -20.605 33.446 1.00104.51 O ATOM 1943 OP2 DA C 22 20.545 -18.327 34.015 1.00104.19 O ATOM 1944 O5' DA C 22 22.923 -18.483 33.246 1.00103.86 O ATOM 1945 C5' DA C 22 23.902 -18.687 32.219 1.00102.48 C ATOM 1946 C4' DA C 22 24.688 -17.409 31.981 1.00101.64 C ATOM 1947 O4' DA C 22 23.796 -16.394 31.456 1.00100.22 O ATOM 1948 C3' DA C 22 25.310 -16.771 33.224 1.00101.73 C ATOM 1949 O3' DA C 22 26.668 -16.393 32.929 1.00103.69 O ATOM 1950 C2' DA C 22 24.376 -15.590 33.538 1.00 99.81 C ATOM 1951 C1' DA C 22 24.003 -15.162 32.130 1.00 97.43 C ATOM 1952 N9 DA C 22 22.777 -14.400 31.903 1.00 96.27 N ATOM 1953 C8 DA C 22 21.538 -14.649 32.421 1.00 95.64 C ATOM 1954 N7 DA C 22 20.608 -13.820 32.005 1.00 95.23 N ATOM 1955 C5 DA C 22 21.279 -12.975 31.150 1.00 94.88 C ATOM 1956 C6 DA C 22 20.841 -11.878 30.389 1.00 95.50 C ATOM 1957 N6 DA C 22 19.576 -11.446 30.380 1.00 94.72 N ATOM 1958 N1 DA C 22 21.779 -11.251 29.640 1.00 96.11 N ATOM 1959 C2 DA C 22 23.053 -11.692 29.653 1.00 95.25 C ATOM 1960 N3 DA C 22 23.579 -12.710 30.330 1.00 93.64 N ATOM 1961 C4 DA C 22 22.624 -13.317 31.065 1.00 95.11 C ATOM 1962 P DA C 23 27.677 -15.862 34.071 1.00105.11 P ATOM 1963 OP1 DA C 23 28.868 -16.748 34.005 1.00104.21 O ATOM 1964 OP2 DA C 23 26.910 -15.668 35.333 1.00102.95 O ATOM 1965 O5' DA C 23 28.108 -14.394 33.571 1.00102.90 O ATOM 1966 C5' DA C 23 28.232 -14.065 32.172 1.00 99.55 C ATOM 1967 C4' DA C 23 28.083 -12.571 31.934 1.00 96.85 C ATOM 1968 O4' DA C 23 26.676 -12.187 31.889 1.00 95.41 O ATOM 1969 C3' DA C 23 28.711 -11.689 33.009 1.00 94.90 C ATOM 1970 O3' DA C 23 29.293 -10.578 32.364 1.00 93.76 O ATOM 1971 C2' DA C 23 27.520 -11.305 33.883 1.00 93.80 C ATOM 1972 C1' DA C 23 26.455 -11.128 32.806 1.00 92.38 C ATOM 1973 N9 DA C 23 25.061 -11.170 33.248 1.00 91.21 N ATOM 1974 C8 DA C 23 24.452 -12.043 34.110 1.00 90.33 C ATOM 1975 N7 DA C 23 23.172 -11.801 34.280 1.00 89.54 N ATOM 1976 C5 DA C 23 22.926 -10.693 33.484 1.00 90.18 C ATOM 1977 C6 DA C 23 21.772 -9.921 33.207 1.00 90.42 C ATOM 1978 N6 DA C 23 20.572 -10.152 33.729 1.00 90.44 N ATOM 1979 N1 DA C 23 21.881 -8.881 32.351 1.00 90.86 N ATOM 1980 C2 DA C 23 23.074 -8.617 31.803 1.00 90.95 C ATOM 1981 N3 DA C 23 24.230 -9.265 31.981 1.00 91.05 N ATOM 1982 C4 DA C 23 24.083 -10.301 32.834 1.00 91.04 C ATOM 1983 P DA C 24 30.423 -9.699 33.061 1.00 93.33 P ATOM 1984 OP1 DA C 24 31.594 -9.761 32.152 1.00 93.16 O ATOM 1985 OP2 DA C 24 30.550 -10.138 34.473 1.00 93.00 O ATOM 1986 O5' DA C 24 29.800 -8.209 33.024 1.00 92.11 O ATOM 1987 C5' DA C 24 29.436 -7.526 31.789 1.00 88.17 C ATOM 1988 C4' DA C 24 28.331 -6.476 31.945 1.00 85.37 C ATOM 1989 O4' DA C 24 27.087 -7.064 32.423 1.00 83.12 O ATOM 1990 C3' DA C 24 28.638 -5.336 32.916 1.00 83.74 C ATOM 1991 O3' DA C 24 28.535 -4.121 32.207 1.00 84.40 O ATOM 1992 C2' DA C 24 27.612 -5.494 34.046 1.00 82.69 C ATOM 1993 C1' DA C 24 26.457 -6.162 33.336 1.00 81.42 C ATOM 1994 N9 DA C 24 25.474 -6.917 34.137 1.00 80.89 N ATOM 1995 C8 DA C 24 25.649 -8.121 34.776 1.00 80.96 C ATOM 1996 N7 DA C 24 24.570 -8.584 35.375 1.00 79.92 N ATOM 1997 C5 DA C 24 23.610 -7.629 35.115 1.00 79.53 C ATOM 1998 C6 DA C 24 22.249 -7.514 35.470 1.00 79.50 C ATOM 1999 N6 DA C 24 21.585 -8.404 36.185 1.00 78.17 N ATOM 2000 N1 DA C 24 21.573 -6.421 35.054 1.00 81.36 N ATOM 2001 C2 DA C 24 22.221 -5.504 34.318 1.00 80.84 C ATOM 2002 N3 DA C 24 23.499 -5.502 33.922 1.00 80.11 N ATOM 2003 C4 DA C 24 24.150 -6.598 34.353 1.00 80.22 C ATOM 2004 P DT C 25 28.855 -2.703 32.888 1.00 86.43 P ATOM 2005 OP1 DT C 25 30.132 -2.142 32.397 1.00 87.34 O ATOM 2006 OP2 DT C 25 28.652 -2.825 34.340 1.00 85.71 O ATOM 2007 O5' DT C 25 27.723 -1.770 32.238 1.00 86.43 O ATOM 2008 C5' DT C 25 26.401 -2.259 31.923 1.00 83.02 C ATOM 2009 C4' DT C 25 25.363 -1.632 32.828 1.00 79.56 C ATOM 2010 O4' DT C 25 24.966 -2.625 33.792 1.00 78.30 O ATOM 2011 C3' DT C 25 25.800 -0.431 33.671 1.00 77.46 C ATOM 2012 O3' DT C 25 25.145 0.714 33.095 1.00 78.28 O ATOM 2013 C2' DT C 25 25.423 -0.844 35.112 1.00 76.14 C ATOM 2014 C1' DT C 25 24.381 -1.915 34.854 1.00 75.51 C ATOM 2015 N1 DT C 25 23.994 -2.946 35.884 1.00 74.60 N ATOM 2016 C2 DT C 25 22.660 -3.049 36.239 1.00 74.10 C ATOM 2017 O2 DT C 25 21.787 -2.323 35.816 1.00 76.09 O ATOM 2018 N3 DT C 25 22.344 -4.001 37.159 1.00 72.98 N ATOM 2019 C4 DT C 25 23.226 -4.899 37.716 1.00 74.14 C ATOM 2020 O4 DT C 25 22.849 -5.738 38.522 1.00 74.48 O ATOM 2021 C5 DT C 25 24.605 -4.785 37.305 1.00 74.81 C ATOM 2022 C7 DT C 25 25.570 -5.871 37.700 1.00 72.63 C ATOM 2023 C6 DT C 25 24.922 -3.823 36.411 1.00 74.76 C ATOM 2024 P DT C 26 24.989 2.131 33.838 1.00 79.70 P ATOM 2025 OP1 DT C 26 24.616 3.195 32.886 1.00 77.32 O ATOM 2026 OP2 DT C 26 26.237 2.314 34.619 1.00 78.45 O ATOM 2027 O5' DT C 26 23.684 1.922 34.781 1.00 79.95 O ATOM 2028 C5' DT C 26 22.524 1.094 34.433 1.00 77.14 C ATOM 2029 C4' DT C 26 21.130 1.640 34.801 1.00 75.35 C ATOM 2030 O4' DT C 26 20.586 0.838 35.881 1.00 73.22 O ATOM 2031 C3' DT C 26 20.955 3.062 35.353 1.00 73.99 C ATOM 2032 O3' DT C 26 19.569 3.465 35.184 1.00 73.39 O ATOM 2033 C2' DT C 26 21.389 2.876 36.814 1.00 72.65 C ATOM 2034 C1' DT C 26 20.730 1.529 37.122 1.00 71.04 C ATOM 2035 N1 DT C 26 21.421 0.526 37.936 1.00 67.93 N ATOM 2036 C2 DT C 26 20.613 -0.338 38.622 1.00 67.25 C ATOM 2037 O2 DT C 26 19.397 -0.276 38.614 1.00 66.42 O ATOM 2038 N3 DT C 26 21.279 -1.302 39.322 1.00 68.67 N ATOM 2039 C4 DT C 26 22.652 -1.467 39.405 1.00 68.94 C ATOM 2040 O4 DT C 26 23.176 -2.368 40.058 1.00 68.82 O ATOM 2041 C5 DT C 26 23.440 -0.543 38.645 1.00 68.14 C ATOM 2042 C7 DT C 26 24.880 -0.899 38.419 1.00 67.23 C ATOM 2043 C6 DT C 26 22.796 0.403 37.935 1.00 67.99 C ATOM 2044 P DT C 27 18.966 4.823 35.813 1.00 73.00 P ATOM 2045 OP1 DT C 27 17.966 5.439 34.899 1.00 69.04 O ATOM 2046 OP2 DT C 27 20.089 5.650 36.268 1.00 75.28 O ATOM 2047 O5' DT C 27 18.244 4.278 37.131 1.00 73.42 O ATOM 2048 C5' DT C 27 17.433 3.086 37.033 1.00 72.99 C ATOM 2049 C4' DT C 27 16.855 2.609 38.364 1.00 71.20 C ATOM 2050 O4' DT C 27 17.790 1.759 39.074 1.00 70.01 O ATOM 2051 C3' DT C 27 16.450 3.704 39.337 1.00 70.38 C ATOM 2052 O3' DT C 27 15.069 3.543 39.553 1.00 69.56 O ATOM 2053 C2' DT C 27 17.307 3.483 40.592 1.00 69.97 C ATOM 2054 C1' DT C 27 17.764 2.041 40.461 1.00 69.72 C ATOM 2055 N1 DT C 27 19.140 1.703 40.921 1.00 69.53 N ATOM 2056 C2 DT C 27 19.324 0.628 41.772 1.00 70.01 C ATOM 2057 O2 DT C 27 18.407 -0.048 42.216 1.00 67.59 O ATOM 2058 N3 DT C 27 20.644 0.385 42.099 1.00 71.42 N ATOM 2059 C4 DT C 27 21.761 1.088 41.640 1.00 71.38 C ATOM 2060 O4 DT C 27 22.906 0.812 41.983 1.00 70.15 O ATOM 2061 C5 DT C 27 21.495 2.187 40.747 1.00 70.27 C ATOM 2062 C7 DT C 27 22.616 3.097 40.330 1.00 70.07 C ATOM 2063 C6 DT C 27 20.214 2.426 40.428 1.00 70.06 C TER 2064 DT C 27 ATOM 2065 O5' DA D 1 21.636 -6.134 51.000 1.00 86.75 O ATOM 2066 C5' DA D 1 21.391 -7.129 50.014 1.00 88.39 C ATOM 2067 C4' DA D 1 20.014 -6.980 49.372 1.00 88.93 C ATOM 2068 O4' DA D 1 19.958 -5.879 48.412 1.00 89.23 O ATOM 2069 C3' DA D 1 19.571 -8.182 48.550 1.00 88.87 C ATOM 2070 O3' DA D 1 18.134 -8.205 48.576 1.00 87.94 O ATOM 2071 C2' DA D 1 20.245 -7.868 47.202 1.00 89.43 C ATOM 2072 C1' DA D 1 20.070 -6.349 47.065 1.00 88.95 C ATOM 2073 N9 DA D 1 21.116 -5.538 46.388 1.00 88.17 N ATOM 2074 C8 DA D 1 22.487 -5.668 46.367 1.00 87.42 C ATOM 2075 N7 DA D 1 23.129 -4.746 45.689 1.00 85.25 N ATOM 2076 C5 DA D 1 22.105 -3.925 45.227 1.00 88.56 C ATOM 2077 C6 DA D 1 22.066 -2.733 44.426 1.00 89.05 C ATOM 2078 N6 DA D 1 23.137 -2.113 43.920 1.00 88.25 N ATOM 2079 N1 DA D 1 20.862 -2.178 44.147 1.00 88.35 N ATOM 2080 C2 DA D 1 19.760 -2.771 44.638 1.00 88.46 C ATOM 2081 N3 DA D 1 19.658 -3.874 45.391 1.00 88.89 N ATOM 2082 C4 DA D 1 20.869 -4.406 45.654 1.00 88.63 C ATOM 2083 P DA D 2 17.231 -9.199 47.712 1.00 86.97 P ATOM 2084 OP1 DA D 2 15.957 -9.429 48.427 1.00 87.70 O ATOM 2085 OP2 DA D 2 18.080 -10.323 47.282 1.00 87.09 O ATOM 2086 O5' DA D 2 16.835 -8.264 46.479 1.00 86.50 O ATOM 2087 C5' DA D 2 16.267 -6.985 46.792 1.00 84.74 C ATOM 2088 C4' DA D 2 15.461 -6.439 45.637 1.00 83.48 C ATOM 2089 O4' DA D 2 16.314 -5.611 44.793 1.00 82.32 O ATOM 2090 C3' DA D 2 14.827 -7.499 44.737 1.00 81.97 C ATOM 2091 O3' DA D 2 13.488 -7.035 44.429 1.00 82.76 O ATOM 2092 C2' DA D 2 15.858 -7.606 43.604 1.00 80.40 C ATOM 2093 C1' DA D 2 16.408 -6.184 43.502 1.00 79.02 C ATOM 2094 N9 DA D 2 17.800 -6.043 43.101 1.00 78.40 N ATOM 2095 C8 DA D 2 18.821 -6.905 43.356 1.00 77.89 C ATOM 2096 N7 DA D 2 19.970 -6.489 42.869 1.00 79.39 N ATOM 2097 C5 DA D 2 19.701 -5.274 42.254 1.00 78.28 C ATOM 2098 C6 DA D 2 20.496 -4.329 41.556 1.00 76.01 C ATOM 2099 N6 DA D 2 21.799 -4.439 41.324 1.00 75.58 N ATOM 2100 N1 DA D 2 19.889 -3.229 41.089 1.00 77.17 N ATOM 2101 C2 DA D 2 18.577 -3.072 41.283 1.00 78.26 C ATOM 2102 N3 DA D 2 17.731 -3.890 41.920 1.00 78.73 N ATOM 2103 C4 DA D 2 18.355 -4.985 42.398 1.00 79.01 C ATOM 2104 P DA D 3 12.673 -7.200 43.048 1.00 85.41 P ATOM 2105 OP1 DA D 3 11.298 -6.717 43.348 1.00 81.42 O ATOM 2106 OP2 DA D 3 12.929 -8.561 42.470 1.00 86.13 O ATOM 2107 O5' DA D 3 13.347 -6.145 42.047 1.00 83.22 O ATOM 2108 C5' DA D 3 12.959 -4.760 42.060 1.00 80.43 C ATOM 2109 C4' DA D 3 13.271 -4.109 40.722 1.00 78.19 C ATOM 2110 O4' DA D 3 14.695 -4.191 40.419 1.00 75.17 O ATOM 2111 C3' DA D 3 12.540 -4.734 39.536 1.00 76.21 C ATOM 2112 O3' DA D 3 12.085 -3.637 38.721 1.00 79.30 O ATOM 2113 C2' DA D 3 13.603 -5.659 38.938 1.00 74.06 C ATOM 2114 C1' DA D 3 14.881 -4.855 39.183 1.00 70.86 C ATOM 2115 N9 DA D 3 16.148 -5.588 39.247 1.00 68.61 N ATOM 2116 C8 DA D 3 16.362 -6.837 39.735 1.00 68.21 C ATOM 2117 N7 DA D 3 17.618 -7.216 39.652 1.00 68.65 N ATOM 2118 C5 DA D 3 18.261 -6.150 39.078 1.00 66.26 C ATOM 2119 C6 DA D 3 19.589 -5.932 38.735 1.00 65.77 C ATOM 2120 N6 DA D 3 20.521 -6.824 38.944 1.00 66.45 N ATOM 2121 N1 DA D 3 19.932 -4.760 38.175 1.00 68.43 N ATOM 2122 C2 DA D 3 18.989 -3.827 37.971 1.00 68.66 C ATOM 2123 N3 DA D 3 17.688 -3.924 38.258 1.00 69.23 N ATOM 2124 C4 DA D 3 17.380 -5.127 38.817 1.00 68.32 C ATOM 2125 P DT D 4 11.454 -3.812 37.260 1.00 81.65 P ATOM 2126 OP1 DT D 4 10.476 -2.713 37.051 1.00 77.00 O ATOM 2127 OP2 DT D 4 11.163 -5.254 37.041 1.00 77.89 O ATOM 2128 O5' DT D 4 12.723 -3.491 36.356 1.00 81.84 O ATOM 2129 C5' DT D 4 13.345 -2.215 36.437 1.00 80.80 C ATOM 2130 C4' DT D 4 14.431 -2.198 35.396 1.00 79.17 C ATOM 2131 O4' DT D 4 15.491 -3.100 35.802 1.00 76.20 O ATOM 2132 C3' DT D 4 13.895 -2.698 34.051 1.00 80.54 C ATOM 2133 O3' DT D 4 14.099 -1.653 33.054 1.00 83.69 O ATOM 2134 C2' DT D 4 14.620 -4.044 33.854 1.00 78.09 C ATOM 2135 C1' DT D 4 15.890 -3.859 34.676 1.00 75.22 C ATOM 2136 N1 DT D 4 16.608 -5.130 35.113 1.00 74.67 N ATOM 2137 C2 DT D 4 17.948 -5.291 34.777 1.00 73.30 C ATOM 2138 O2 DT D 4 18.581 -4.468 34.141 1.00 72.56 O ATOM 2139 N3 DT D 4 18.532 -6.457 35.208 1.00 71.83 N ATOM 2140 C4 DT D 4 17.922 -7.445 35.952 1.00 72.14 C ATOM 2141 O4 DT D 4 18.519 -8.440 36.300 1.00 72.84 O ATOM 2142 C5 DT D 4 16.540 -7.251 36.284 1.00 72.76 C ATOM 2143 C7 DT D 4 15.815 -8.320 37.058 1.00 68.51 C ATOM 2144 C6 DT D 4 15.951 -6.110 35.854 1.00 74.53 C ATOM 2145 P DT D 5 13.950 -1.850 31.464 1.00 82.55 P ATOM 2146 OP1 DT D 5 13.600 -0.524 30.895 1.00 81.15 O ATOM 2147 OP2 DT D 5 13.140 -3.064 31.159 1.00 79.63 O ATOM 2148 O5' DT D 5 15.492 -2.142 31.127 1.00 81.47 O ATOM 2149 C5' DT D 5 16.520 -1.186 31.432 1.00 76.57 C ATOM 2150 C4' DT D 5 17.837 -1.664 30.837 1.00 76.06 C ATOM 2151 O4' DT D 5 18.237 -2.938 31.416 1.00 73.97 O ATOM 2152 C3' DT D 5 17.811 -1.946 29.334 1.00 76.21 C ATOM 2153 O3' DT D 5 19.037 -1.477 28.786 1.00 77.09 O ATOM 2154 C2' DT D 5 17.631 -3.474 29.258 1.00 72.81 C ATOM 2155 C1' DT D 5 18.574 -3.835 30.385 1.00 69.30 C ATOM 2156 N1 DT D 5 18.453 -5.142 30.966 1.00 66.14 N ATOM 2157 C2 DT D 5 19.617 -5.834 31.304 1.00 65.70 C ATOM 2158 O2 DT D 5 20.770 -5.442 31.129 1.00 64.59 O ATOM 2159 N3 DT D 5 19.395 -7.062 31.872 1.00 65.52 N ATOM 2160 C4 DT D 5 18.163 -7.639 32.111 1.00 66.58 C ATOM 2161 O4 DT D 5 18.056 -8.738 32.624 1.00 67.23 O ATOM 2162 C5 DT D 5 17.000 -6.873 31.756 1.00 67.31 C ATOM 2163 C7 DT D 5 15.656 -7.379 32.222 1.00 65.55 C ATOM 2164 C6 DT D 5 17.189 -5.646 31.201 1.00 67.13 C ATOM 2165 P DT D 6 19.213 -1.339 27.214 1.00 77.85 P ATOM 2166 OP1 DT D 6 19.658 0.064 26.964 1.00 75.03 O ATOM 2167 OP2 DT D 6 18.015 -1.969 26.587 1.00 74.65 O ATOM 2168 O5' DT D 6 20.453 -2.310 26.919 1.00 78.91 O ATOM 2169 C5' DT D 6 21.701 -2.178 27.616 1.00 79.80 C ATOM 2170 C4' DT D 6 22.524 -3.463 27.583 1.00 80.46 C ATOM 2171 O4' DT D 6 21.758 -4.578 28.102 1.00 79.60 O ATOM 2172 C3' DT D 6 23.016 -3.945 26.214 1.00 82.46 C ATOM 2173 O3' DT D 6 24.443 -3.799 26.198 1.00 87.54 O ATOM 2174 C2' DT D 6 22.549 -5.409 26.084 1.00 79.64 C ATOM 2175 C1' DT D 6 22.185 -5.792 27.507 1.00 75.82 C ATOM 2176 N1 DT D 6 21.064 -6.736 27.833 1.00 73.41 N ATOM 2177 C2 DT D 6 21.382 -8.005 28.268 1.00 75.22 C ATOM 2178 O2 DT D 6 22.548 -8.381 28.308 1.00 73.98 O ATOM 2179 N3 DT D 6 20.296 -8.816 28.621 1.00 76.07 N ATOM 2180 C4 DT D 6 18.937 -8.467 28.608 1.00 75.29 C ATOM 2181 O4 DT D 6 18.009 -9.237 28.932 1.00 71.41 O ATOM 2182 C5 DT D 6 18.707 -7.100 28.153 1.00 74.65 C ATOM 2183 C7 DT D 6 17.300 -6.591 28.060 1.00 77.04 C ATOM 2184 C6 DT D 6 19.746 -6.311 27.807 1.00 72.31 C ATOM 2185 P DG D 7 25.304 -3.556 24.866 1.00 90.76 P ATOM 2186 OP1 DG D 7 26.684 -3.201 25.262 1.00 90.63 O ATOM 2187 OP2 DG D 7 24.586 -2.590 24.002 1.00 85.92 O ATOM 2188 O5' DG D 7 25.356 -5.082 24.331 1.00 88.73 O ATOM 2189 C5' DG D 7 26.296 -5.931 24.989 1.00 87.65 C ATOM 2190 C4' DG D 7 26.127 -7.412 24.712 1.00 89.03 C ATOM 2191 O4' DG D 7 24.907 -7.933 25.295 1.00 89.35 O ATOM 2192 C3' DG D 7 26.076 -7.841 23.251 1.00 89.56 C ATOM 2193 O3' DG D 7 26.998 -8.882 23.067 1.00 92.60 O ATOM 2194 C2' DG D 7 24.671 -8.382 23.052 1.00 88.09 C ATOM 2195 C1' DG D 7 24.406 -8.933 24.433 1.00 86.48 C ATOM 2196 N9 DG D 7 23.002 -9.117 24.737 1.00 85.98 N ATOM 2197 C8 DG D 7 21.987 -8.229 24.501 1.00 85.98 C ATOM 2198 N7 DG D 7 20.827 -8.646 24.901 1.00 85.64 N ATOM 2199 C5 DG D 7 21.091 -9.892 25.433 1.00 85.23 C ATOM 2200 C6 DG D 7 20.212 -10.826 26.015 1.00 85.55 C ATOM 2201 O6 DG D 7 18.988 -10.711 26.168 1.00 85.54 O ATOM 2202 N1 DG D 7 20.877 -11.983 26.428 1.00 85.35 N ATOM 2203 C2 DG D 7 22.231 -12.172 26.298 1.00 85.06 C ATOM 2204 N2 DG D 7 22.708 -13.321 26.754 1.00 85.39 N ATOM 2205 N3 DG D 7 23.073 -11.310 25.760 1.00 85.51 N ATOM 2206 C4 DG D 7 22.428 -10.194 25.348 1.00 85.75 C ATOM 2207 P DC D 8 27.614 -9.253 21.634 1.00 97.70 P ATOM 2208 OP1 DC D 8 29.051 -9.349 21.992 1.00 98.25 O ATOM 2209 OP2 DC D 8 27.161 -8.358 20.532 1.00 95.82 O ATOM 2210 O5' DC D 8 26.988 -10.693 21.296 1.00 96.21 O ATOM 2211 C5' DC D 8 27.297 -11.786 22.147 1.00 96.04 C ATOM 2212 C4' DC D 8 26.172 -12.785 22.141 1.00 95.14 C ATOM 2213 O4' DC D 8 24.951 -12.184 22.607 1.00 94.69 O ATOM 2214 C3' DC D 8 25.771 -13.272 20.773 1.00 95.93 C ATOM 2215 O3' DC D 8 26.649 -14.338 20.363 1.00 99.94 O ATOM 2216 C2' DC D 8 24.318 -13.690 21.021 1.00 94.45 C ATOM 2217 C1' DC D 8 23.947 -13.136 22.387 1.00 91.64 C ATOM 2218 N1 DC D 8 22.576 -12.505 22.462 1.00 90.86 N ATOM 2219 C2 DC D 8 21.518 -13.229 23.030 1.00 90.61 C ATOM 2220 O2 DC D 8 21.718 -14.366 23.465 1.00 89.82 O ATOM 2221 N3 DC D 8 20.285 -12.664 23.086 1.00 90.50 N ATOM 2222 C4 DC D 8 20.084 -11.437 22.622 1.00 89.24 C ATOM 2223 N4 DC D 8 18.851 -10.959 22.729 1.00 89.29 N ATOM 2224 C5 DC D 8 21.135 -10.667 22.047 1.00 88.79 C ATOM 2225 C6 DC D 8 22.350 -11.234 21.984 1.00 89.82 C ATOM 2226 P DT D 9 26.384 -15.225 19.041 1.00102.63 P ATOM 2227 OP1 DT D 9 27.714 -15.574 18.503 1.00103.33 O ATOM 2228 OP2 DT D 9 25.423 -14.531 18.123 1.00100.86 O ATOM 2229 O5' DT D 9 25.704 -16.531 19.689 1.00 97.88 O ATOM 2230 C5' DT D 9 24.621 -17.122 19.020 1.00 96.13 C ATOM 2231 C4' DT D 9 23.742 -17.886 19.970 1.00 95.48 C ATOM 2232 O4' DT D 9 23.024 -17.026 20.861 1.00 95.56 O ATOM 2233 C3' DT D 9 22.679 -18.637 19.216 1.00 96.66 C ATOM 2234 O3' DT D 9 23.106 -19.954 19.176 1.00 96.79 O ATOM 2235 C2' DT D 9 21.393 -18.515 20.012 1.00 96.92 C ATOM 2236 C1' DT D 9 21.630 -17.294 20.857 1.00 97.18 C ATOM 2237 N1 DT D 9 20.886 -16.064 20.429 1.00 98.09 N ATOM 2238 C2 DT D 9 19.514 -15.971 20.625 1.00 97.81 C ATOM 2239 O2 DT D 9 18.818 -16.852 21.089 1.00 96.67 O ATOM 2240 N3 DT D 9 18.960 -14.783 20.230 1.00 98.43 N ATOM 2241 C4 DT D 9 19.646 -13.713 19.687 1.00 98.41 C ATOM 2242 O4 DT D 9 19.089 -12.685 19.362 1.00 99.10 O ATOM 2243 C5 DT D 9 21.063 -13.856 19.515 1.00 98.10 C ATOM 2244 C7 DT D 9 21.861 -12.750 18.886 1.00 97.65 C ATOM 2245 C6 DT D 9 21.611 -15.014 19.884 1.00 98.60 C ATOM 2246 P DC D 10 22.543 -20.960 18.087 1.00 96.16 P ATOM 2247 OP1 DC D 10 23.743 -21.422 17.363 1.00 96.98 O ATOM 2248 OP2 DC D 10 21.434 -20.420 17.274 1.00 98.31 O ATOM 2249 O5' DC D 10 21.883 -22.042 19.055 1.00 95.01 O ATOM 2250 C5' DC D 10 20.841 -22.871 18.583 1.00 93.65 C ATOM 2251 C4' DC D 10 19.453 -22.265 18.738 1.00 92.00 C ATOM 2252 O4' DC D 10 19.399 -20.837 18.943 1.00 89.62 O ATOM 2253 C3' DC D 10 18.630 -22.484 17.493 1.00 92.54 C ATOM 2254 O3' DC D 10 18.261 -23.865 17.528 1.00 95.74 O ATOM 2255 C2' DC D 10 17.519 -21.447 17.657 1.00 91.89 C ATOM 2256 C1' DC D 10 18.074 -20.416 18.638 1.00 90.14 C ATOM 2257 N1 DC D 10 18.011 -18.924 18.187 1.00 89.38 N ATOM 2258 C2 DC D 10 16.828 -18.187 18.355 1.00 88.64 C ATOM 2259 O2 DC D 10 15.838 -18.728 18.840 1.00 88.57 O ATOM 2260 N3 DC D 10 16.777 -16.887 17.984 1.00 89.52 N ATOM 2261 C4 DC D 10 17.852 -16.299 17.465 1.00 89.83 C ATOM 2262 N4 DC D 10 17.760 -15.009 17.128 1.00 88.12 N ATOM 2263 C5 DC D 10 19.071 -17.013 17.278 1.00 89.27 C ATOM 2264 C6 DC D 10 19.098 -18.297 17.636 1.00 89.23 C ATOM 2265 P DA D 11 17.020 -24.488 16.732 1.00 98.50 P ATOM 2266 OP1 DA D 11 17.212 -25.965 16.721 1.00 98.97 O ATOM 2267 OP2 DA D 11 16.883 -23.747 15.451 1.00 98.54 O ATOM 2268 O5' DA D 11 15.802 -24.085 17.706 1.00 97.75 O ATOM 2269 C5' DA D 11 14.424 -24.425 17.495 1.00 96.55 C ATOM 2270 C4' DA D 11 13.655 -23.379 16.699 1.00 96.33 C ATOM 2271 O4' DA D 11 14.262 -22.043 16.816 1.00 95.05 O ATOM 2272 C3' DA D 11 13.585 -23.729 15.201 1.00 96.93 C ATOM 2273 O3' DA D 11 12.286 -23.981 14.621 1.00 99.30 O ATOM 2274 C2' DA D 11 14.130 -22.462 14.543 1.00 96.51 C ATOM 2275 C1' DA D 11 13.976 -21.369 15.602 1.00 92.09 C ATOM 2276 N9 DA D 11 14.835 -20.234 15.284 1.00 89.61 N ATOM 2277 C8 DA D 11 16.107 -20.284 14.786 1.00 88.66 C ATOM 2278 N7 DA D 11 16.637 -19.106 14.579 1.00 89.78 N ATOM 2279 C5 DA D 11 15.638 -18.222 14.940 1.00 89.74 C ATOM 2280 C6 DA D 11 15.562 -16.821 14.924 1.00 89.27 C ATOM 2281 N6 DA D 11 16.580 -16.070 14.520 1.00 89.28 N ATOM 2282 N1 DA D 11 14.419 -16.230 15.331 1.00 88.91 N ATOM 2283 C2 DA D 11 13.403 -16.993 15.735 1.00 88.81 C ATOM 2284 N3 DA D 11 13.360 -18.327 15.787 1.00 89.63 N ATOM 2285 C4 DA D 11 14.512 -18.896 15.369 1.00 89.88 C ATOM 2286 P DT D 12 11.112 -24.905 15.191 1.00101.46 P ATOM 2287 OP1 DT D 12 11.256 -25.020 16.663 1.00100.42 O ATOM 2288 OP2 DT D 12 11.002 -26.104 14.322 1.00101.76 O ATOM 2289 O5' DT D 12 9.833 -24.000 14.864 1.00100.07 O ATOM 2290 C5' DT D 12 9.354 -23.049 15.828 1.00 97.76 C ATOM 2291 C4' DT D 12 8.849 -21.782 15.158 1.00 95.54 C ATOM 2292 O4' DT D 12 9.971 -20.913 14.822 1.00 93.08 O ATOM 2293 C3' DT D 12 8.044 -21.987 13.871 1.00 93.87 C ATOM 2294 O3' DT D 12 6.744 -21.410 14.081 1.00 94.88 O ATOM 2295 C2' DT D 12 8.919 -21.294 12.818 1.00 93.10 C ATOM 2296 C1' DT D 12 9.617 -20.220 13.650 1.00 91.55 C ATOM 2297 N1 DT D 12 10.864 -19.497 13.125 1.00 90.87 N ATOM 2298 C2 DT D 12 10.818 -18.098 13.074 1.00 92.38 C ATOM 2299 O2 DT D 12 9.855 -17.428 13.401 1.00 93.09 O ATOM 2300 N3 DT D 12 11.948 -17.444 12.646 1.00 91.46 N ATOM 2301 C4 DT D 12 13.111 -18.063 12.231 1.00 91.56 C ATOM 2302 O4 DT D 12 14.053 -17.361 11.859 1.00 91.43 O ATOM 2303 C5 DT D 12 13.132 -19.533 12.296 1.00 89.79 C ATOM 2304 C7 DT D 12 14.355 -20.278 11.840 1.00 83.92 C ATOM 2305 C6 DT D 12 12.023 -20.173 12.742 1.00 88.57 C ATOM 2306 P DT D 13 5.520 -21.488 13.042 1.00 96.87 P ATOM 2307 OP1 DT D 13 4.324 -21.922 13.796 1.00 95.48 O ATOM 2308 OP2 DT D 13 6.007 -22.226 11.852 1.00 96.07 O ATOM 2309 O5' DT D 13 5.253 -19.961 12.607 1.00 97.10 O ATOM 2310 C5' DT D 13 5.278 -18.911 13.593 1.00 96.15 C ATOM 2311 C4' DT D 13 5.219 -17.530 12.963 1.00 95.47 C ATOM 2312 O4' DT D 13 6.520 -17.130 12.452 1.00 94.12 O ATOM 2313 C3' DT D 13 4.280 -17.389 11.774 1.00 95.21 C ATOM 2314 O3' DT D 13 3.651 -16.104 11.926 1.00 96.10 O ATOM 2315 C2' DT D 13 5.232 -17.536 10.574 1.00 93.95 C ATOM 2316 C1' DT D 13 6.422 -16.732 11.093 1.00 92.37 C ATOM 2317 N1 DT D 13 7.799 -16.923 10.507 1.00 89.79 N ATOM 2318 C2 DT D 13 8.606 -15.814 10.232 1.00 91.76 C ATOM 2319 O2 DT D 13 8.321 -14.633 10.379 1.00 92.68 O ATOM 2320 N3 DT D 13 9.846 -16.097 9.754 1.00 91.55 N ATOM 2321 C4 DT D 13 10.335 -17.353 9.513 1.00 90.41 C ATOM 2322 O4 DT D 13 11.459 -17.491 9.070 1.00 91.95 O ATOM 2323 C5 DT D 13 9.478 -18.461 9.813 1.00 88.03 C ATOM 2324 C7 DT D 13 9.902 -19.830 9.386 1.00 85.80 C ATOM 2325 C6 DT D 13 8.264 -18.199 10.300 1.00 87.32 C ATOM 2326 P DT D 14 2.632 -15.551 10.820 1.00 97.60 P ATOM 2327 OP1 DT D 14 1.594 -14.710 11.478 1.00 96.34 O ATOM 2328 OP2 DT D 14 2.289 -16.688 9.918 1.00 96.20 O ATOM 2329 O5' DT D 14 3.577 -14.547 10.021 1.00 93.79 O ATOM 2330 C5' DT D 14 4.160 -13.450 10.726 1.00 87.27 C ATOM 2331 C4' DT D 14 4.830 -12.526 9.733 1.00 82.10 C ATOM 2332 O4' DT D 14 6.067 -13.132 9.269 1.00 78.39 O ATOM 2333 C3' DT D 14 4.001 -12.194 8.493 1.00 79.27 C ATOM 2334 O3' DT D 14 4.231 -10.799 8.295 1.00 79.71 O ATOM 2335 C2' DT D 14 4.585 -13.157 7.461 1.00 77.88 C ATOM 2336 C1' DT D 14 6.063 -13.163 7.867 1.00 76.87 C ATOM 2337 N1 DT D 14 6.936 -14.308 7.404 1.00 75.00 N ATOM 2338 C2 DT D 14 8.240 -14.018 7.074 1.00 74.19 C ATOM 2339 O2 DT D 14 8.717 -12.920 7.146 1.00 76.68 O ATOM 2340 N3 DT D 14 9.023 -15.034 6.651 1.00 73.69 N ATOM 2341 C4 DT D 14 8.618 -16.337 6.522 1.00 76.11 C ATOM 2342 O4 DT D 14 9.432 -17.174 6.131 1.00 76.80 O ATOM 2343 C5 DT D 14 7.227 -16.626 6.886 1.00 76.65 C ATOM 2344 C7 DT D 14 6.733 -18.056 7.004 1.00 75.37 C ATOM 2345 C6 DT D 14 6.456 -15.598 7.301 1.00 74.90 C ATOM 2346 P DT D 15 3.737 -9.792 7.134 1.00 80.65 P ATOM 2347 OP1 DT D 15 3.545 -8.488 7.823 1.00 77.27 O ATOM 2348 OP2 DT D 15 2.678 -10.364 6.264 1.00 77.95 O ATOM 2349 O5' DT D 15 5.075 -9.686 6.267 1.00 77.97 O ATOM 2350 C5' DT D 15 6.227 -9.068 6.822 1.00 75.57 C ATOM 2351 C4' DT D 15 7.272 -8.960 5.739 1.00 75.24 C ATOM 2352 O4' DT D 15 7.824 -10.253 5.402 1.00 75.81 O ATOM 2353 C3' DT D 15 6.756 -8.385 4.425 1.00 75.75 C ATOM 2354 O3' DT D 15 7.642 -7.305 4.178 1.00 76.27 O ATOM 2355 C2' DT D 15 6.784 -9.562 3.438 1.00 76.58 C ATOM 2356 C1' DT D 15 7.881 -10.450 4.000 1.00 76.25 C ATOM 2357 N1 DT D 15 7.838 -11.965 3.770 1.00 76.01 N ATOM 2358 C2 DT D 15 9.016 -12.587 3.378 1.00 77.61 C ATOM 2359 O2 DT D 15 10.064 -12.018 3.164 1.00 78.99 O ATOM 2360 N3 DT D 15 8.988 -13.928 3.194 1.00 77.16 N ATOM 2361 C4 DT D 15 7.911 -14.735 3.402 1.00 76.95 C ATOM 2362 O4 DT D 15 8.033 -15.946 3.200 1.00 76.29 O ATOM 2363 C5 DT D 15 6.692 -14.055 3.814 1.00 76.60 C ATOM 2364 C7 DT D 15 5.392 -14.819 3.770 1.00 78.07 C ATOM 2365 C6 DT D 15 6.708 -12.718 3.990 1.00 74.27 C ATOM 2366 P DT D 16 7.745 -6.406 2.873 1.00 73.38 P ATOM 2367 OP1 DT D 16 8.384 -5.118 3.281 1.00 67.79 O ATOM 2368 OP2 DT D 16 6.453 -6.539 2.126 1.00 71.26 O ATOM 2369 O5' DT D 16 8.840 -7.264 2.081 1.00 70.53 O ATOM 2370 C5' DT D 16 10.227 -7.041 2.223 1.00 65.61 C ATOM 2371 C4' DT D 16 10.899 -7.948 1.212 1.00 65.52 C ATOM 2372 O4' DT D 16 10.374 -9.303 1.308 1.00 66.33 O ATOM 2373 C3' DT D 16 10.686 -7.516 -0.239 1.00 65.42 C ATOM 2374 O3' DT D 16 11.950 -6.948 -0.675 1.00 66.48 O ATOM 2375 C2' DT D 16 10.199 -8.811 -0.920 1.00 65.87 C ATOM 2376 C1' DT D 16 10.503 -9.957 0.058 1.00 64.44 C ATOM 2377 N1 DT D 16 9.602 -11.223 0.011 1.00 62.87 N ATOM 2378 C2 DT D 16 10.104 -12.506 -0.309 1.00 64.30 C ATOM 2379 O2 DT D 16 11.260 -12.812 -0.608 1.00 64.16 O ATOM 2380 N3 DT D 16 9.174 -13.516 -0.303 1.00 64.08 N ATOM 2381 C4 DT D 16 7.834 -13.394 -0.001 1.00 64.72 C ATOM 2382 O4 DT D 16 7.059 -14.353 -0.031 1.00 64.41 O ATOM 2383 C5 DT D 16 7.378 -12.069 0.313 1.00 64.04 C ATOM 2384 C7 DT D 16 5.896 -11.843 0.206 1.00 67.35 C ATOM 2385 C6 DT D 16 8.264 -11.062 0.319 1.00 61.33 C ATOM 2386 P DC D 17 12.304 -6.499 -2.161 1.00 66.74 P ATOM 2387 OP1 DC D 17 13.568 -5.723 -2.250 1.00 63.43 O ATOM 2388 OP2 DC D 17 11.047 -5.872 -2.628 1.00 66.64 O ATOM 2389 O5' DC D 17 12.563 -7.943 -2.859 1.00 66.81 O ATOM 2390 C5' DC D 17 13.786 -8.687 -2.664 1.00 65.56 C ATOM 2391 C4' DC D 17 13.744 -10.032 -3.353 1.00 67.53 C ATOM 2392 O4' DC D 17 12.574 -10.734 -2.913 1.00 67.67 O ATOM 2393 C3' DC D 17 13.478 -10.024 -4.839 1.00 71.54 C ATOM 2394 O3' DC D 17 14.651 -9.935 -5.630 1.00 79.69 O ATOM 2395 C2' DC D 17 12.798 -11.353 -5.139 1.00 69.22 C ATOM 2396 C1' DC D 17 12.299 -11.801 -3.796 1.00 65.38 C ATOM 2397 N1 DC D 17 10.855 -12.093 -3.697 1.00 62.39 N ATOM 2398 C2 DC D 17 10.426 -13.404 -3.760 1.00 61.58 C ATOM 2399 O2 DC D 17 11.259 -14.282 -3.934 1.00 64.18 O ATOM 2400 N3 DC D 17 9.123 -13.685 -3.648 1.00 60.42 N ATOM 2401 C4 DC D 17 8.266 -12.701 -3.448 1.00 62.99 C ATOM 2402 N4 DC D 17 6.980 -13.014 -3.309 1.00 64.88 N ATOM 2403 C5 DC D 17 8.676 -11.346 -3.379 1.00 62.84 C ATOM 2404 C6 DC D 17 9.973 -11.088 -3.517 1.00 62.03 C ATOM 2405 P DA D 18 14.492 -9.293 -7.110 1.00 86.16 P ATOM 2406 OP1 DA D 18 15.364 -8.074 -7.089 1.00 83.92 O ATOM 2407 OP2 DA D 18 13.060 -9.165 -7.522 1.00 80.02 O ATOM 2408 O5' DA D 18 15.062 -10.475 -8.036 1.00 85.12 O ATOM 2409 C5' DA D 18 15.701 -11.662 -7.531 1.00 83.89 C ATOM 2410 C4' DA D 18 15.244 -12.889 -8.309 1.00 81.78 C ATOM 2411 O4' DA D 18 13.955 -13.316 -7.803 1.00 79.99 O ATOM 2412 C3' DA D 18 15.070 -12.721 -9.815 1.00 81.45 C ATOM 2413 O3' DA D 18 15.603 -13.886 -10.412 1.00 84.55 O ATOM 2414 C2' DA D 18 13.557 -12.595 -9.965 1.00 81.00 C ATOM 2415 C1' DA D 18 13.081 -13.551 -8.882 1.00 79.60 C ATOM 2416 N9 DA D 18 11.729 -13.366 -8.376 1.00 78.27 N ATOM 2417 C8 DA D 18 11.137 -12.205 -7.988 1.00 78.20 C ATOM 2418 N7 DA D 18 9.914 -12.349 -7.552 1.00 77.85 N ATOM 2419 C5 DA D 18 9.683 -13.706 -7.661 1.00 78.94 C ATOM 2420 C6 DA D 18 8.557 -14.534 -7.360 1.00 80.61 C ATOM 2421 N6 DA D 18 7.388 -14.082 -6.865 1.00 79.20 N ATOM 2422 N1 DA D 18 8.675 -15.871 -7.603 1.00 79.85 N ATOM 2423 C2 DA D 18 9.837 -16.338 -8.102 1.00 79.41 C ATOM 2424 N3 DA D 18 10.949 -15.652 -8.408 1.00 79.27 N ATOM 2425 C4 DA D 18 10.804 -14.340 -8.164 1.00 77.79 C ATOM 2426 P DA D 19 15.766 -14.204 -11.985 1.00 87.29 P ATOM 2427 OP1 DA D 19 17.230 -14.323 -12.158 1.00 84.56 O ATOM 2428 OP2 DA D 19 14.966 -13.270 -12.829 1.00 87.49 O ATOM 2429 O5' DA D 19 15.104 -15.669 -12.143 1.00 87.51 O ATOM 2430 C5' DA D 19 13.975 -16.158 -11.353 1.00 88.64 C ATOM 2431 C4' DA D 19 13.076 -17.165 -12.087 1.00 88.46 C ATOM 2432 O4' DA D 19 11.684 -17.093 -11.646 1.00 87.86 O ATOM 2433 C3' DA D 19 12.909 -16.982 -13.595 1.00 88.66 C ATOM 2434 O3' DA D 19 12.383 -18.196 -14.112 1.00 92.14 O ATOM 2435 C2' DA D 19 11.898 -15.857 -13.657 1.00 86.54 C ATOM 2436 C1' DA D 19 10.911 -16.410 -12.639 1.00 84.40 C ATOM 2437 N9 DA D 19 10.095 -15.387 -12.012 1.00 83.75 N ATOM 2438 C8 DA D 19 10.348 -14.047 -11.888 1.00 83.43 C ATOM 2439 N7 DA D 19 9.393 -13.403 -11.248 1.00 84.27 N ATOM 2440 C5 DA D 19 8.473 -14.379 -10.945 1.00 83.01 C ATOM 2441 C6 DA D 19 7.244 -14.351 -10.284 1.00 82.83 C ATOM 2442 N6 DA D 19 6.724 -13.247 -9.802 1.00 81.88 N ATOM 2443 N1 DA D 19 6.573 -15.510 -10.124 1.00 83.88 N ATOM 2444 C2 DA D 19 7.108 -16.626 -10.627 1.00 82.92 C ATOM 2445 N3 DA D 19 8.264 -16.774 -11.272 1.00 81.63 N ATOM 2446 C4 DA D 19 8.896 -15.608 -11.401 1.00 82.77 C ATOM 2447 P DA D 20 12.164 -18.476 -15.666 1.00 93.70 P ATOM 2448 OP1 DA D 20 11.941 -19.950 -15.795 1.00 89.25 O ATOM 2449 OP2 DA D 20 13.218 -17.701 -16.378 1.00 90.71 O ATOM 2450 O5' DA D 20 10.797 -17.703 -15.976 1.00 93.94 O ATOM 2451 C5' DA D 20 9.824 -18.306 -16.793 1.00 92.24 C ATOM 2452 C4' DA D 20 8.797 -19.120 -16.015 1.00 89.96 C ATOM 2453 O4' DA D 20 8.479 -18.550 -14.717 1.00 89.60 O ATOM 2454 C3' DA D 20 7.489 -19.135 -16.786 1.00 89.37 C ATOM 2455 O3' DA D 20 7.205 -20.460 -17.200 1.00 87.58 O ATOM 2456 C2' DA D 20 6.413 -18.520 -15.891 1.00 88.39 C ATOM 2457 C1' DA D 20 7.141 -18.040 -14.644 1.00 86.74 C ATOM 2458 N9 DA D 20 7.064 -16.577 -14.396 1.00 85.36 N ATOM 2459 C8 DA D 20 8.014 -15.621 -14.647 1.00 84.32 C ATOM 2460 N7 DA D 20 7.646 -14.410 -14.280 1.00 85.50 N ATOM 2461 C5 DA D 20 6.369 -14.563 -13.745 1.00 85.40 C ATOM 2462 C6 DA D 20 5.421 -13.656 -13.182 1.00 84.65 C ATOM 2463 N6 DA D 20 5.606 -12.342 -13.047 1.00 80.96 N ATOM 2464 N1 DA D 20 4.236 -14.188 -12.776 1.00 86.01 N ATOM 2465 C2 DA D 20 3.990 -15.511 -12.885 1.00 83.72 C ATOM 2466 N3 DA D 20 4.810 -16.432 -13.384 1.00 81.93 N ATOM 2467 C4 DA D 20 5.990 -15.905 -13.809 1.00 84.55 C ATOM 2468 P DC D 21 7.017 -20.713 -18.769 1.00 87.40 P ATOM 2469 OP1 DC D 21 6.701 -22.154 -18.938 1.00 88.99 O ATOM 2470 OP2 DC D 21 8.133 -20.040 -19.482 1.00 84.92 O ATOM 2471 O5' DC D 21 5.697 -19.903 -19.149 1.00 86.94 O ATOM 2472 C5' DC D 21 4.451 -20.264 -18.577 1.00 86.70 C ATOM 2473 C4' DC D 21 3.475 -19.139 -18.808 1.00 86.24 C ATOM 2474 O4' DC D 21 3.677 -18.062 -17.839 1.00 86.83 O ATOM 2475 C3' DC D 21 3.644 -18.498 -20.176 1.00 86.32 C ATOM 2476 O3' DC D 21 2.398 -18.275 -20.731 1.00 87.86 O ATOM 2477 C2' DC D 21 4.287 -17.163 -19.835 1.00 86.79 C ATOM 2478 C1' DC D 21 3.574 -16.838 -18.531 1.00 84.07 C ATOM 2479 N1 DC D 21 4.137 -15.670 -17.791 1.00 82.10 N ATOM 2480 C2 DC D 21 3.254 -14.819 -17.127 1.00 81.36 C ATOM 2481 O2 DC D 21 2.056 -15.069 -17.156 1.00 80.31 O ATOM 2482 N3 DC D 21 3.732 -13.737 -16.466 1.00 82.40 N ATOM 2483 C4 DC D 21 5.036 -13.484 -16.454 1.00 81.84 C ATOM 2484 N4 DC D 21 5.438 -12.416 -15.784 1.00 80.67 N ATOM 2485 C5 DC D 21 5.968 -14.337 -17.121 1.00 82.85 C ATOM 2486 C6 DC D 21 5.485 -15.410 -17.778 1.00 82.82 C ATOM 2487 P DA D 22 1.870 -19.072 -21.990 1.00 88.77 P ATOM 2488 OP1 DA D 22 2.495 -20.415 -22.031 1.00 89.38 O ATOM 2489 OP2 DA D 22 1.961 -18.122 -23.139 1.00 86.65 O ATOM 2490 O5' DA D 22 0.353 -19.268 -21.501 1.00 87.80 O ATOM 2491 C5' DA D 22 -0.606 -18.379 -22.010 1.00 88.20 C ATOM 2492 C4' DA D 22 -1.574 -17.785 -21.002 1.00 87.57 C ATOM 2493 O4' DA D 22 -0.963 -16.837 -20.065 1.00 86.95 O ATOM 2494 C3' DA D 22 -2.537 -16.967 -21.837 1.00 88.25 C ATOM 2495 O3' DA D 22 -3.876 -17.002 -21.360 1.00 88.58 O ATOM 2496 C2' DA D 22 -1.882 -15.569 -21.829 1.00 88.15 C ATOM 2497 C1' DA D 22 -1.237 -15.475 -20.447 1.00 85.15 C ATOM 2498 N9 DA D 22 -0.025 -14.632 -20.327 1.00 83.16 N ATOM 2499 C8 DA D 22 1.197 -14.818 -20.907 1.00 82.60 C ATOM 2500 N7 DA D 22 2.092 -13.919 -20.584 1.00 82.14 N ATOM 2501 C5 DA D 22 1.424 -13.072 -19.718 1.00 82.66 C ATOM 2502 C6 DA D 22 1.802 -11.906 -18.997 1.00 83.39 C ATOM 2503 N6 DA D 22 3.012 -11.327 -19.017 1.00 82.78 N ATOM 2504 N1 DA D 22 0.864 -11.324 -18.227 1.00 83.44 N ATOM 2505 C2 DA D 22 -0.358 -11.847 -18.157 1.00 83.04 C ATOM 2506 N3 DA D 22 -0.816 -12.924 -18.784 1.00 83.52 N ATOM 2507 C4 DA D 22 0.122 -13.501 -19.556 1.00 82.72 C ATOM 2508 P DA D 23 -4.976 -16.457 -22.403 1.00 92.37 P ATOM 2509 OP1 DA D 23 -6.195 -17.292 -22.239 1.00 92.25 O ATOM 2510 OP2 DA D 23 -4.348 -16.321 -23.749 1.00 91.19 O ATOM 2511 O5' DA D 23 -5.260 -14.947 -21.925 1.00 89.79 O ATOM 2512 C5' DA D 23 -5.209 -14.539 -20.548 1.00 87.45 C ATOM 2513 C4' DA D 23 -5.333 -13.027 -20.414 1.00 85.63 C ATOM 2514 O4' DA D 23 -4.022 -12.392 -20.414 1.00 84.34 O ATOM 2515 C3' DA D 23 -6.099 -12.304 -21.524 1.00 84.10 C ATOM 2516 O3' DA D 23 -6.731 -11.213 -20.880 1.00 82.69 O ATOM 2517 C2' DA D 23 -4.994 -11.899 -22.507 1.00 82.79 C ATOM 2518 C1' DA D 23 -3.918 -11.484 -21.517 1.00 81.60 C ATOM 2519 N9 DA D 23 -2.514 -11.498 -21.943 1.00 80.72 N ATOM 2520 C8 DA D 23 -1.850 -12.327 -22.795 1.00 79.50 C ATOM 2521 N7 DA D 23 -0.566 -12.050 -22.902 1.00 79.01 N ATOM 2522 C5 DA D 23 -0.365 -10.975 -22.063 1.00 79.55 C ATOM 2523 C6 DA D 23 0.759 -10.195 -21.712 1.00 79.23 C ATOM 2524 N6 DA D 23 2.002 -10.341 -22.160 1.00 78.74 N ATOM 2525 N1 DA D 23 0.562 -9.205 -20.834 1.00 80.13 N ATOM 2526 C2 DA D 23 -0.658 -8.983 -20.329 1.00 80.10 C ATOM 2527 N3 DA D 23 -1.784 -9.636 -20.569 1.00 79.53 N ATOM 2528 C4 DA D 23 -1.563 -10.630 -21.455 1.00 81.02 C ATOM 2529 P DA D 24 -7.972 -10.364 -21.417 1.00 83.73 P ATOM 2530 OP1 DA D 24 -8.973 -10.383 -20.319 1.00 80.83 O ATOM 2531 OP2 DA D 24 -8.325 -10.661 -22.842 1.00 82.27 O ATOM 2532 O5' DA D 24 -7.275 -8.927 -21.399 1.00 83.12 O ATOM 2533 C5' DA D 24 -6.988 -8.303 -20.136 1.00 79.48 C ATOM 2534 C4' DA D 24 -6.046 -7.127 -20.323 1.00 76.20 C ATOM 2535 O4' DA D 24 -4.758 -7.572 -20.833 1.00 75.51 O ATOM 2536 C3' DA D 24 -6.559 -6.091 -21.308 1.00 73.25 C ATOM 2537 O3' DA D 24 -6.679 -4.895 -20.590 1.00 72.10 O ATOM 2538 C2' DA D 24 -5.522 -6.117 -22.443 1.00 72.97 C ATOM 2539 C1' DA D 24 -4.259 -6.640 -21.774 1.00 72.23 C ATOM 2540 N9 DA D 24 -3.243 -7.312 -22.607 1.00 71.10 N ATOM 2541 C8 DA D 24 -3.373 -8.475 -23.308 1.00 71.52 C ATOM 2542 N7 DA D 24 -2.289 -8.851 -23.953 1.00 70.88 N ATOM 2543 C5 DA D 24 -1.373 -7.881 -23.656 1.00 70.08 C ATOM 2544 C6 DA D 24 -0.026 -7.702 -24.031 1.00 70.89 C ATOM 2545 N6 DA D 24 0.658 -8.527 -24.815 1.00 69.77 N ATOM 2546 N1 DA D 24 0.612 -6.607 -23.556 1.00 72.49 N ATOM 2547 C2 DA D 24 -0.056 -5.754 -22.755 1.00 71.60 C ATOM 2548 N3 DA D 24 -1.323 -5.829 -22.338 1.00 71.31 N ATOM 2549 C4 DA D 24 -1.938 -6.927 -22.821 1.00 70.70 C ATOM 2550 P DT D 25 -6.975 -3.506 -21.320 1.00 75.36 P ATOM 2551 OP1 DT D 25 -7.660 -2.651 -20.319 1.00 78.06 O ATOM 2552 OP2 DT D 25 -7.611 -3.734 -22.639 1.00 73.05 O ATOM 2553 O5' DT D 25 -5.482 -2.946 -21.579 1.00 74.66 O ATOM 2554 C5' DT D 25 -4.851 -1.965 -20.723 1.00 71.08 C ATOM 2555 C4' DT D 25 -3.729 -1.308 -21.482 1.00 68.47 C ATOM 2556 O4' DT D 25 -2.930 -2.375 -22.040 1.00 67.04 O ATOM 2557 C3' DT D 25 -4.241 -0.488 -22.663 1.00 68.39 C ATOM 2558 O3' DT D 25 -4.285 0.935 -22.467 1.00 69.07 O ATOM 2559 C2' DT D 25 -3.361 -0.932 -23.826 1.00 68.60 C ATOM 2560 C1' DT D 25 -2.340 -1.899 -23.235 1.00 67.56 C ATOM 2561 N1 DT D 25 -1.936 -3.033 -24.199 1.00 67.09 N ATOM 2562 C2 DT D 25 -0.624 -3.143 -24.668 1.00 64.90 C ATOM 2563 O2 DT D 25 0.280 -2.406 -24.351 1.00 65.79 O ATOM 2564 N3 DT D 25 -0.372 -4.177 -25.529 1.00 65.40 N ATOM 2565 C4 DT D 25 -1.320 -5.098 -25.989 1.00 67.16 C ATOM 2566 O4 DT D 25 -1.054 -6.018 -26.757 1.00 66.83 O ATOM 2567 C5 DT D 25 -2.673 -4.941 -25.501 1.00 67.03 C ATOM 2568 C7 DT D 25 -3.748 -5.840 -26.054 1.00 63.03 C ATOM 2569 C6 DT D 25 -2.917 -3.924 -24.639 1.00 67.70 C ATOM 2570 P DT D 26 -3.047 1.893 -22.161 1.00 70.70 P ATOM 2571 OP1 DT D 26 -2.822 1.846 -20.706 1.00 72.03 O ATOM 2572 OP2 DT D 26 -3.337 3.211 -22.720 1.00 73.17 O ATOM 2573 O5' DT D 26 -1.801 1.324 -22.997 1.00 69.34 O ATOM 2574 C5' DT D 26 -0.503 1.271 -22.363 1.00 66.48 C ATOM 2575 C4' DT D 26 0.711 1.496 -23.271 1.00 63.75 C ATOM 2576 O4' DT D 26 0.876 0.485 -24.312 1.00 59.83 O ATOM 2577 C3' DT D 26 0.754 2.827 -24.012 1.00 61.92 C ATOM 2578 O3' DT D 26 2.118 3.201 -24.035 1.00 64.02 O ATOM 2579 C2' DT D 26 0.197 2.453 -25.382 1.00 59.37 C ATOM 2580 C1' DT D 26 0.905 1.118 -25.578 1.00 56.38 C ATOM 2581 N1 DT D 26 0.311 0.100 -26.440 1.00 52.99 N ATOM 2582 C2 DT D 26 1.179 -0.810 -27.033 1.00 54.20 C ATOM 2583 O2 DT D 26 2.404 -0.814 -26.941 1.00 52.62 O ATOM 2584 N3 DT D 26 0.569 -1.787 -27.765 1.00 55.09 N ATOM 2585 C4 DT D 26 -0.793 -1.901 -28.003 1.00 54.36 C ATOM 2586 O4 DT D 26 -1.239 -2.806 -28.723 1.00 54.00 O ATOM 2587 C5 DT D 26 -1.633 -0.927 -27.337 1.00 50.47 C ATOM 2588 C7 DT D 26 -3.075 -1.276 -27.167 1.00 46.06 C ATOM 2589 C6 DT D 26 -1.054 0.021 -26.590 1.00 49.48 C ATOM 2590 P DT D 27 2.681 4.669 -24.335 1.00 66.54 P ATOM 2591 OP1 DT D 27 3.600 4.980 -23.210 1.00 60.30 O ATOM 2592 OP2 DT D 27 1.555 5.551 -24.709 1.00 69.40 O ATOM 2593 O5' DT D 27 3.507 4.510 -25.705 1.00 65.92 O ATOM 2594 C5' DT D 27 4.767 3.850 -25.620 1.00 66.23 C ATOM 2595 C4' DT D 27 5.114 2.999 -26.825 1.00 65.79 C ATOM 2596 O4' DT D 27 4.036 2.131 -27.290 1.00 64.39 O ATOM 2597 C3' DT D 27 5.501 3.852 -28.017 1.00 67.19 C ATOM 2598 O3' DT D 27 6.800 3.438 -28.406 1.00 70.29 O ATOM 2599 C2' DT D 27 4.413 3.571 -29.055 1.00 65.52 C ATOM 2600 C1' DT D 27 4.034 2.144 -28.705 1.00 62.52 C ATOM 2601 N1 DT D 27 2.700 1.710 -29.180 1.00 61.12 N ATOM 2602 C2 DT D 27 2.608 0.718 -30.110 1.00 60.51 C ATOM 2603 O2 DT D 27 3.576 0.160 -30.596 1.00 60.75 O ATOM 2604 N3 DT D 27 1.321 0.396 -30.443 1.00 60.66 N ATOM 2605 C4 DT D 27 0.159 0.956 -29.945 1.00 61.05 C ATOM 2606 O4 DT D 27 -0.955 0.601 -30.307 1.00 62.14 O ATOM 2607 C5 DT D 27 0.321 1.997 -28.988 1.00 60.22 C ATOM 2608 C7 DT D 27 -0.744 3.048 -28.935 1.00 59.86 C ATOM 2609 C6 DT D 27 1.573 2.303 -28.654 1.00 61.61 C TER 2610 DT D 27 MASTER 455 0 0 9 4 0 0 6 2606 4 0 22 END
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Related entries of code: 3jre
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3jrd
RCSB PDB
PDBbind
27aa, >3JRD_3|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3jr9
RCSB PDB
PDBbind
27 -mer
3jra
RCSB PDB
PDBbind
27 -mer
3jrb
RCSB PDB
PDBbind
27 -mer
3jrd
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
3jre
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-binding protein fis
Ligand Name
27 -mer
EC.Number
E.C.-.-.-.-
Resolution
3.17(Å)
Affinity (Kd/Ki/IC50)
Kd=0.5nM
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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