Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 08-SEP-09 3JRD TITLE CRYSTAL STRUCTURE OF FIS BOUND TO 27 BP DNA F25 CONTAINING T2A3 TITLE 2 SEQUENCE AT 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 REGULATIO, DNA BINDING PROTEIN-DNA KEYWDS 4 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.STELLA,D.CASCIO,R.C.JOHNSON REVDAT 3 01-NOV-17 3JRD 1 REMARK REVDAT 2 13-JUL-11 3JRD 1 VERSN REVDAT 1 28-APR-10 3JRD 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. 3.10 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) : 3.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 79.81 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 3 NUMBER OF REFLECTIONS : 10795 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) : 0.245 REMARK 3 R VALUE (WORKING SET) : 0.242 REMARK 3 FREE R VALUE : 0.291 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 512 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) : 3.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.18 REMARK 3 REFLECTION IN BIN (WORKING SET) : 679 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.63 REMARK 3 BIN R VALUE (WORKING SET) : 0.3060 REMARK 3 BIN FREE R VALUE SET COUNT : 26 REMARK 3 BIN FREE R VALUE : 0.2830 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) : 82.25 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): 0.478 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.304 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 : 0.936 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.910 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2752 ; 0.017 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1523 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3942 ; 2.094 ; 2.470 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3785 ; 1.136 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 187 ; 5.825 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 75 ;45.751 ;25.600 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 303 ;17.914 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;27.378 ;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): 588 ; 0.214 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1633 ; 0.206 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1195 ; 0.217 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1158 ; 0.095 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 33 ; 0.152 ; 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): 8 ; 0.213 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 20 ; 0.187 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 6 ; 0.289 ; 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): 12.7952 10.6082 8.9085 REMARK 3 T TENSOR REMARK 3 T11: -0.3623 T22: -0.1968 REMARK 3 T33: -0.1749 T12: -0.0081 REMARK 3 T13: -0.0052 T23: -0.0672 REMARK 3 L TENSOR REMARK 3 L11: 2.2834 L22: 5.4117 REMARK 3 L33: 3.9208 L12: -0.7315 REMARK 3 L13: 1.2977 L23: -0.9311 REMARK 3 S TENSOR REMARK 3 S11: -0.2702 S12: 0.0256 S13: 0.2230 REMARK 3 S21: 0.3715 S22: 0.3239 S23: -0.1315 REMARK 3 S31: -0.2779 S32: 0.2110 S33: -0.0537 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): 9.8689 11.0055 2.1874 REMARK 3 T TENSOR REMARK 3 T11: -0.3540 T22: -0.2286 REMARK 3 T33: -0.1781 T12: 0.0704 REMARK 3 T13: -0.0332 T23: 0.0344 REMARK 3 L TENSOR REMARK 3 L11: 2.4639 L22: 5.3796 REMARK 3 L33: 4.1243 L12: 0.1422 REMARK 3 L13: -0.4370 L23: 0.1158 REMARK 3 S TENSOR REMARK 3 S11: -0.3783 S12: -0.1845 S13: 0.2260 REMARK 3 S21: -0.0986 S22: 0.3432 S23: 0.0957 REMARK 3 S31: -0.1179 S32: 0.1405 S33: 0.0351 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): 11.6120 -10.2965 5.3213 REMARK 3 T TENSOR REMARK 3 T11: -0.0421 T22: -0.4885 REMARK 3 T33: -0.1621 T12: 0.0570 REMARK 3 T13: -0.0821 T23: 0.0270 REMARK 3 L TENSOR REMARK 3 L11: 1.8117 L22: 0.9846 REMARK 3 L33: 13.7917 L12: 0.0752 REMARK 3 L13: 3.5385 L23: 0.3041 REMARK 3 S TENSOR REMARK 3 S11: 0.6339 S12: 0.1171 S13: -0.7946 REMARK 3 S21: 0.0842 S22: 0.3092 S23: 0.0960 REMARK 3 S31: 2.4688 S32: 0.3539 S33: -0.9431 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): 10.6778 -10.2466 6.0949 REMARK 3 T TENSOR REMARK 3 T11: 0.0027 T22: -0.5600 REMARK 3 T33: -0.2168 T12: -0.0074 REMARK 3 T13: -0.0936 T23: -0.0446 REMARK 3 L TENSOR REMARK 3 L11: 1.8192 L22: 1.1903 REMARK 3 L33: 11.7006 L12: 0.1062 REMARK 3 L13: 2.3401 L23: -0.1131 REMARK 3 S TENSOR REMARK 3 S11: 0.4379 S12: 0.0804 S13: -0.6747 REMARK 3 S21: 0.0406 S22: 0.3183 S23: -0.0043 REMARK 3 S31: 2.1594 S32: -0.1732 S33: -0.7561 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 3JRD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-SEP-09. REMARK 100 THE DEPOSITION ID IS D_1000055062. 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 : 10882 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.100 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 (%) : 91.0 REMARK 200 DATA REDUNDANCY : 3.900 REMARK 200 R MERGE (I) : 0.18600 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 7.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.21 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.8 REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 REMARK 200 R MERGE FOR SHELL (I) : 0.66600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 3IV5 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 69.23 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM CITRATE, 0.1 M TRIS-HCL REMARK 280 PH 8.5, 38% 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 21.64800 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 77.54850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 46.53800 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 77.54850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.64800 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 46.53800 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 300 REMARK: BIOLOGICAL UNIT IS THE SAME AS ASYMMETRIC UNIT 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: 8750 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19370 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -63.0 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 1 C5 DA C 1 N7 -0.037 REMARK 500 DA C 2 O3' DA C 2 C3' -0.051 REMARK 500 DT C 12 N1 DT C 12 C2 0.053 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. = 5.2 DEGREES REMARK 500 DA C 1 N7 - C8 - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA C 1 C8 - N9 - C4 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA C 1 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES REMARK 500 DA C 2 C5' - C4' - O4' ANGL. DEV. = 8.2 DEGREES REMARK 500 DA C 2 C3' - O3' - P ANGL. DEV. = -9.5 DEGREES REMARK 500 DA C 3 O4' - C1' - N9 ANGL. DEV. = -4.2 DEGREES REMARK 500 DT C 4 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DT C 5 C4 - C5 - C7 ANGL. DEV. = 5.1 DEGREES REMARK 500 DT C 5 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES REMARK 500 DT C 6 O5' - P - OP2 ANGL. DEV. = -5.6 DEGREES REMARK 500 DT C 6 N3 - C4 - O4 ANGL. DEV. = 5.3 DEGREES REMARK 500 DT C 8 O4' - C1' - C2' ANGL. DEV. = -5.5 DEGREES REMARK 500 DT C 8 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DT C 8 N1 - C2 - O2 ANGL. DEV. = 6.2 DEGREES REMARK 500 DT C 8 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DT C 8 C5 - C4 - O4 ANGL. DEV. = -5.1 DEGREES REMARK 500 DT C 9 C4 - C5 - C7 ANGL. DEV. = -4.0 DEGREES REMARK 500 DT C 12 N1 - C2 - O2 ANGL. DEV. = 6.3 DEGREES REMARK 500 DT C 12 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES REMARK 500 DT C 13 N3 - C4 - O4 ANGL. DEV. = 4.2 DEGREES REMARK 500 DT C 13 C5 - C4 - O4 ANGL. DEV. = -5.0 DEGREES REMARK 500 DA C 14 O4' - C1' - N9 ANGL. DEV. = -6.5 DEGREES REMARK 500 DA C 16 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DT C 17 O5' - P - OP1 ANGL. DEV. = -7.9 DEGREES REMARK 500 DT C 17 O5' - P - OP2 ANGL. DEV. = 10.4 DEGREES REMARK 500 DT C 17 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG C 18 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA C 23 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA C 24 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 DT C 25 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT C 25 C2 - N3 - C4 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT C 25 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT C 25 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT C 26 O4' - C1' - N1 ANGL. DEV. = -4.9 DEGREES REMARK 500 DT C 26 C5 - C4 - O4 ANGL. DEV. = -4.6 DEGREES REMARK 500 DT C 27 N3 - C4 - O4 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT C 27 C5 - C4 - O4 ANGL. DEV. = -5.0 DEGREES REMARK 500 DA D 1 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES REMARK 500 DA D 1 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA D 2 C3' - O3' - P ANGL. DEV. = 8.8 DEGREES REMARK 500 DA D 3 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT D 4 C5 - C4 - O4 ANGL. DEV. = -4.4 DEGREES REMARK 500 DT D 5 C3' - C2' - C1' ANGL. DEV. = -5.2 DEGREES REMARK 500 DT D 6 N3 - C4 - O4 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG D 7 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC D 8 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 DT D 9 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC D 10 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 63 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 ASN A 48 -53.76 -130.08 REMARK 500 ARG A 71 50.12 39.38 REMARK 500 ASN A 73 93.08 -63.18 REMARK 500 SER B 18 -5.12 -53.83 REMARK 500 ASN B 48 18.69 -144.42 REMARK 500 ASP B 49 29.41 -155.48 REMARK 500 ARG B 71 58.02 35.68 REMARK 500 MET B 97 54.14 -109.11 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: 3JRE RELATED DB: PDB REMARK 900 RELATED ID: 3JRF RELATED DB: PDB REMARK 900 RELATED ID: 3JRG RELATED DB: PDB REMARK 900 RELATED ID: 3JRH RELATED DB: PDB REMARK 900 RELATED ID: 3JRI RELATED DB: PDB DBREF 3JRD A 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JRD B 1 98 UNP P0A6R3 FIS_ECOLI 1 98 DBREF 3JRD C 1 27 PDB 3JRD 3JRD 1 27 DBREF 3JRD D 1 27 PDB 3JRD 3JRD 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 DT DT 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 DA DA DC DA DA DA DC DA DA DA DT DT SEQRES 3 D 27 DT HELIX 1 1 LEU A 27 LEU A 42 1 16 HELIX 2 2 ASP A 49 THR A 70 1 22 HELIX 3 3 ASN A 73 GLY A 82 1 10 HELIX 4 4 ASN A 84 TYR A 95 1 12 HELIX 5 5 VAL B 6 LEU B 11 1 6 HELIX 6 6 LEU B 27 GLN B 41 1 15 HELIX 7 7 ASP B 49 THR B 70 1 22 HELIX 8 8 ASN B 73 GLY B 82 1 10 HELIX 9 9 ASN B 84 TYR B 95 1 12 SHEET 1 A 2 THR A 12 ASN A 17 0 SHEET 2 A 2 GLN A 21 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 43.296 93.076 155.097 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 0.023097 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010744 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006448 0.00000 ATOM 1 N SER A 8 -6.200 16.508 14.241 1.00 92.63 N ATOM 2 CA SER A 8 -6.316 15.859 12.912 1.00 93.96 C ATOM 3 C SER A 8 -5.036 15.102 12.460 1.00 94.51 C ATOM 4 O SER A 8 -5.097 13.899 12.174 1.00 94.72 O ATOM 5 CB SER A 8 -6.721 16.913 11.874 1.00 93.91 C ATOM 6 OG SER A 8 -6.327 16.532 10.562 1.00 91.60 O ATOM 7 N ASP A 9 -3.898 15.805 12.397 1.00 94.71 N ATOM 8 CA ASP A 9 -2.640 15.268 11.798 1.00 93.63 C ATOM 9 C ASP A 9 -1.354 15.677 12.595 1.00 91.79 C ATOM 10 O ASP A 9 -1.041 16.865 12.740 1.00 90.11 O ATOM 11 CB ASP A 9 -2.541 15.702 10.309 1.00 94.48 C ATOM 12 CG ASP A 9 -1.404 14.994 9.540 1.00 95.39 C ATOM 13 OD1 ASP A 9 -1.007 13.852 9.908 1.00 93.32 O ATOM 14 OD2 ASP A 9 -0.911 15.599 8.554 1.00 95.64 O ATOM 15 N VAL A 10 -0.587 14.679 13.042 1.00 88.05 N ATOM 16 CA VAL A 10 0.402 14.854 14.125 1.00 85.80 C ATOM 17 C VAL A 10 1.870 15.203 13.775 1.00 83.41 C ATOM 18 O VAL A 10 2.605 15.728 14.606 1.00 84.53 O ATOM 19 CB VAL A 10 0.444 13.579 14.997 1.00 86.63 C ATOM 20 CG1 VAL A 10 -0.972 13.241 15.588 1.00 87.48 C ATOM 21 CG2 VAL A 10 1.026 12.423 14.204 1.00 85.81 C ATOM 22 N LEU A 11 2.312 14.886 12.571 1.00 81.67 N ATOM 23 CA LEU A 11 3.688 15.150 12.166 1.00 76.52 C ATOM 24 C LEU A 11 3.702 16.325 11.231 1.00 72.63 C ATOM 25 O LEU A 11 3.272 16.205 10.071 1.00 74.25 O ATOM 26 CB LEU A 11 4.239 13.940 11.443 1.00 77.34 C ATOM 27 CG LEU A 11 4.644 12.785 12.341 1.00 76.88 C ATOM 28 CD1 LEU A 11 4.818 11.514 11.521 1.00 78.43 C ATOM 29 CD2 LEU A 11 5.913 13.144 13.072 1.00 75.27 C ATOM 30 N THR A 12 4.181 17.459 11.730 1.00 69.67 N ATOM 31 CA THR A 12 4.007 18.743 11.044 1.00 69.17 C ATOM 32 C THR A 12 5.145 19.700 11.369 1.00 67.01 C ATOM 33 O THR A 12 5.806 19.576 12.389 1.00 67.15 O ATOM 34 CB THR A 12 2.613 19.394 11.372 1.00 69.87 C ATOM 35 OG1 THR A 12 2.694 20.226 12.536 1.00 69.45 O ATOM 36 CG2 THR A 12 1.493 18.317 11.580 1.00 71.01 C ATOM 37 N VAL A 13 5.389 20.648 10.478 1.00 68.11 N ATOM 38 CA VAL A 13 6.549 21.542 10.606 1.00 67.05 C ATOM 39 C VAL A 13 6.173 23.008 10.413 1.00 67.88 C ATOM 40 O VAL A 13 5.167 23.371 9.749 1.00 64.79 O ATOM 41 CB VAL A 13 7.701 21.179 9.628 1.00 61.85 C ATOM 42 CG1 VAL A 13 8.057 19.723 9.746 1.00 61.53 C ATOM 43 CG2 VAL A 13 7.301 21.485 8.250 1.00 58.76 C ATOM 44 N SER A 14 7.002 23.853 11.004 1.00 68.27 N ATOM 45 CA SER A 14 6.667 25.253 11.101 1.00 71.28 C ATOM 46 C SER A 14 7.056 25.933 9.826 1.00 68.65 C ATOM 47 O SER A 14 8.140 25.676 9.296 1.00 67.74 O ATOM 48 CB SER A 14 7.378 25.894 12.272 1.00 73.00 C ATOM 49 OG SER A 14 7.166 25.092 13.410 1.00 78.15 O ATOM 50 N THR A 15 6.157 26.783 9.338 1.00 64.22 N ATOM 51 CA THR A 15 6.382 27.510 8.126 1.00 62.22 C ATOM 52 C THR A 15 6.060 28.961 8.403 1.00 60.91 C ATOM 53 O THR A 15 5.151 29.243 9.165 1.00 58.18 O ATOM 54 CB THR A 15 5.478 27.013 6.979 1.00 62.75 C ATOM 55 OG1 THR A 15 4.205 27.658 7.074 1.00 66.61 O ATOM 56 CG2 THR A 15 5.292 25.493 7.005 1.00 61.37 C ATOM 57 N VAL A 16 6.810 29.873 7.787 1.00 61.16 N ATOM 58 CA VAL A 16 6.456 31.289 7.819 1.00 63.14 C ATOM 59 C VAL A 16 6.093 31.737 6.420 1.00 60.91 C ATOM 60 O VAL A 16 6.726 31.297 5.439 1.00 53.02 O ATOM 61 CB VAL A 16 7.586 32.240 8.375 1.00 65.29 C ATOM 62 CG1 VAL A 16 7.921 31.900 9.830 1.00 65.53 C ATOM 63 CG2 VAL A 16 8.828 32.212 7.489 1.00 65.31 C ATOM 64 N ASN A 17 5.069 32.593 6.349 1.00 60.25 N ATOM 65 CA ASN A 17 4.696 33.262 5.112 1.00 63.14 C ATOM 66 C ASN A 17 5.160 34.688 5.168 1.00 64.25 C ATOM 67 O ASN A 17 5.557 35.178 6.228 1.00 64.38 O ATOM 68 CB ASN A 17 3.191 33.176 4.801 1.00 63.87 C ATOM 69 CG ASN A 17 2.296 33.647 5.950 1.00 64.93 C ATOM 70 OD1 ASN A 17 2.374 34.795 6.402 1.00 63.76 O ATOM 71 ND2 ASN A 17 1.409 32.753 6.401 1.00 66.17 N ATOM 72 N SER A 18 5.115 35.341 4.013 1.00 65.82 N ATOM 73 CA SER A 18 5.660 36.676 3.860 1.00 68.28 C ATOM 74 C SER A 18 5.142 37.646 4.903 1.00 70.60 C ATOM 75 O SER A 18 5.835 38.590 5.258 1.00 73.04 O ATOM 76 CB SER A 18 5.355 37.213 2.470 1.00 69.26 C ATOM 77 OG SER A 18 4.003 36.983 2.171 1.00 71.33 O ATOM 78 N GLN A 19 3.935 37.414 5.407 1.00 72.94 N ATOM 79 CA GLN A 19 3.406 38.228 6.508 1.00 73.91 C ATOM 80 C GLN A 19 3.967 37.827 7.908 1.00 71.53 C ATOM 81 O GLN A 19 3.403 38.201 8.941 1.00 69.72 O ATOM 82 CB GLN A 19 1.855 38.229 6.483 1.00 77.27 C ATOM 83 CG GLN A 19 1.209 39.281 5.550 1.00 79.18 C ATOM 84 CD GLN A 19 -0.194 39.710 6.014 1.00 80.72 C ATOM 85 OE1 GLN A 19 -1.026 38.860 6.366 1.00 83.44 O ATOM 86 NE2 GLN A 19 -0.458 41.036 6.015 1.00 80.92 N ATOM 87 N ASP A 20 5.081 37.091 7.942 1.00 70.58 N ATOM 88 CA ASP A 20 5.701 36.657 9.208 1.00 69.09 C ATOM 89 C ASP A 20 4.723 35.911 10.112 1.00 65.26 C ATOM 90 O ASP A 20 4.756 36.063 11.322 1.00 66.27 O ATOM 91 CB ASP A 20 6.289 37.861 9.992 1.00 72.71 C ATOM 92 CG ASP A 20 7.469 38.514 9.291 1.00 74.61 C ATOM 93 OD1 ASP A 20 8.317 37.766 8.727 1.00 75.46 O ATOM 94 OD2 ASP A 20 7.540 39.773 9.320 1.00 75.66 O ATOM 95 N GLN A 21 3.825 35.133 9.534 1.00 61.68 N ATOM 96 CA GLN A 21 2.933 34.321 10.337 1.00 57.97 C ATOM 97 C GLN A 21 3.540 32.942 10.328 1.00 54.51 C ATOM 98 O GLN A 21 3.887 32.432 9.280 1.00 52.94 O ATOM 99 CB GLN A 21 1.527 34.310 9.753 1.00 55.79 C ATOM 100 CG GLN A 21 0.843 35.678 9.730 1.00 53.58 C ATOM 101 CD GLN A 21 -0.450 35.701 8.900 1.00 53.53 C ATOM 102 OE1 GLN A 21 -1.368 36.441 9.223 1.00 57.36 O ATOM 103 NE2 GLN A 21 -0.520 34.904 7.837 1.00 49.37 N ATOM 104 N VAL A 22 3.740 32.358 11.496 1.00 55.71 N ATOM 105 CA VAL A 22 4.202 30.985 11.551 1.00 58.38 C ATOM 106 C VAL A 22 2.964 30.109 11.428 1.00 60.47 C ATOM 107 O VAL A 22 1.846 30.545 11.737 1.00 60.43 O ATOM 108 CB VAL A 22 5.034 30.682 12.809 1.00 56.72 C ATOM 109 CG1 VAL A 22 5.343 29.172 12.918 1.00 55.56 C ATOM 110 CG2 VAL A 22 6.333 31.505 12.789 1.00 55.85 C ATOM 111 N THR A 23 3.147 28.896 10.915 1.00 63.89 N ATOM 112 CA THR A 23 2.010 28.084 10.528 1.00 66.40 C ATOM 113 C THR A 23 2.393 26.623 10.278 1.00 67.18 C ATOM 114 O THR A 23 3.497 26.319 9.816 1.00 66.12 O ATOM 115 CB THR A 23 1.279 28.719 9.295 1.00 69.28 C ATOM 116 OG1 THR A 23 0.260 27.824 8.839 1.00 73.43 O ATOM 117 CG2 THR A 23 2.273 29.119 8.114 1.00 65.22 C ATOM 118 N GLN A 24 1.480 25.714 10.612 1.00 69.27 N ATOM 119 CA GLN A 24 1.795 24.288 10.547 1.00 70.67 C ATOM 120 C GLN A 24 1.482 23.718 9.182 1.00 72.06 C ATOM 121 O GLN A 24 0.517 24.130 8.543 1.00 76.08 O ATOM 122 CB GLN A 24 1.059 23.493 11.645 1.00 70.15 C ATOM 123 CG GLN A 24 1.624 23.684 13.079 1.00 68.33 C ATOM 124 CD GLN A 24 3.149 23.645 13.151 1.00 64.88 C ATOM 125 OE1 GLN A 24 3.812 24.698 13.136 1.00 58.36 O ATOM 126 NE2 GLN A 24 3.714 22.435 13.195 1.00 65.16 N ATOM 127 N LYS A 25 2.301 22.759 8.765 1.00 71.70 N ATOM 128 CA LYS A 25 2.234 22.172 7.438 1.00 70.93 C ATOM 129 C LYS A 25 2.764 20.753 7.504 1.00 65.40 C ATOM 130 O LYS A 25 3.859 20.537 7.968 1.00 64.00 O ATOM 131 CB LYS A 25 3.126 22.972 6.495 1.00 73.28 C ATOM 132 CG LYS A 25 3.411 22.256 5.181 1.00 75.62 C ATOM 133 CD LYS A 25 4.549 22.914 4.404 1.00 77.22 C ATOM 134 CE LYS A 25 5.948 22.446 4.849 1.00 78.37 C ATOM 135 NZ LYS A 25 7.020 22.641 3.784 1.00 76.84 N ATOM 136 N PRO A 26 2.024 19.784 7.005 1.00 64.22 N ATOM 137 CA PRO A 26 2.438 18.391 7.161 1.00 67.46 C ATOM 138 C PRO A 26 3.867 18.137 6.725 1.00 68.64 C ATOM 139 O PRO A 26 4.379 18.855 5.893 1.00 72.77 O ATOM 140 CB PRO A 26 1.516 17.659 6.223 1.00 66.68 C ATOM 141 CG PRO A 26 0.327 18.497 6.174 1.00 67.31 C ATOM 142 CD PRO A 26 0.763 19.902 6.279 1.00 65.75 C ATOM 143 N LEU A 27 4.509 17.126 7.287 1.00 66.61 N ATOM 144 CA LEU A 27 5.841 16.742 6.839 1.00 66.34 C ATOM 145 C LEU A 27 5.743 16.087 5.452 1.00 69.70 C ATOM 146 O LEU A 27 6.664 16.181 4.650 1.00 74.21 O ATOM 147 CB LEU A 27 6.480 15.748 7.826 1.00 66.18 C ATOM 148 CG LEU A 27 7.964 15.396 7.685 1.00 62.88 C ATOM 149 CD1 LEU A 27 8.827 16.605 8.089 1.00 63.74 C ATOM 150 CD2 LEU A 27 8.263 14.184 8.515 1.00 57.28 C ATOM 151 N ARG A 28 4.627 15.420 5.180 1.00 68.70 N ATOM 152 CA ARG A 28 4.412 14.797 3.913 1.00 65.30 C ATOM 153 C ARG A 28 4.506 15.866 2.808 1.00 62.54 C ATOM 154 O ARG A 28 4.904 15.554 1.696 1.00 61.39 O ATOM 155 CB ARG A 28 3.064 14.061 3.929 1.00 65.77 C ATOM 156 CG ARG A 28 1.839 14.944 3.699 1.00 71.08 C ATOM 157 CD ARG A 28 0.622 14.146 3.198 1.00 75.71 C ATOM 158 NE ARG A 28 0.199 13.257 4.272 1.00 82.46 N ATOM 159 CZ ARG A 28 -0.586 13.604 5.323 1.00 86.16 C ATOM 160 NH1 ARG A 28 -1.140 14.837 5.465 1.00 83.85 N ATOM 161 NH2 ARG A 28 -0.863 12.676 6.251 1.00 86.10 N ATOM 162 N ASP A 29 4.166 17.119 3.110 1.00 59.74 N ATOM 163 CA ASP A 29 4.229 18.201 2.100 1.00 64.68 C ATOM 164 C ASP A 29 5.664 18.632 1.801 1.00 62.44 C ATOM 165 O ASP A 29 6.005 19.044 0.671 1.00 62.54 O ATOM 166 CB ASP A 29 3.418 19.453 2.541 1.00 70.65 C ATOM 167 CG ASP A 29 1.865 19.366 2.213 1.00 76.06 C ATOM 168 OD1 ASP A 29 1.224 20.458 2.195 1.00 74.88 O ATOM 169 OD2 ASP A 29 1.283 18.248 1.994 1.00 77.77 O ATOM 170 N SER A 30 6.495 18.554 2.828 1.00 62.19 N ATOM 171 CA SER A 30 7.933 18.769 2.692 1.00 66.19 C ATOM 172 C SER A 30 8.647 17.681 1.933 1.00 66.22 C ATOM 173 O SER A 30 9.702 17.922 1.354 1.00 68.88 O ATOM 174 CB SER A 30 8.603 18.803 4.060 1.00 68.02 C ATOM 175 OG SER A 30 7.925 19.718 4.857 1.00 71.67 O ATOM 176 N VAL A 31 8.142 16.462 2.016 1.00 62.98 N ATOM 177 CA VAL A 31 8.812 15.381 1.363 1.00 64.08 C ATOM 178 C VAL A 31 8.469 15.551 -0.119 1.00 66.54 C ATOM 179 O VAL A 31 9.345 15.443 -1.001 1.00 64.20 O ATOM 180 CB VAL A 31 8.459 14.024 2.025 1.00 62.98 C ATOM 181 CG1 VAL A 31 8.749 12.852 1.136 1.00 62.90 C ATOM 182 CG2 VAL A 31 9.271 13.858 3.296 1.00 62.53 C ATOM 183 N LYS A 32 7.212 15.909 -0.383 1.00 69.08 N ATOM 184 CA LYS A 32 6.767 16.120 -1.743 1.00 69.10 C ATOM 185 C LYS A 32 7.649 17.118 -2.355 1.00 68.27 C ATOM 186 O LYS A 32 7.924 17.026 -3.539 1.00 67.72 O ATOM 187 CB LYS A 32 5.349 16.645 -1.815 1.00 73.76 C ATOM 188 CG LYS A 32 4.403 15.661 -2.474 1.00 78.78 C ATOM 189 CD LYS A 32 3.098 16.291 -3.044 1.00 79.12 C ATOM 190 CE LYS A 32 2.346 15.280 -3.970 1.00 82.05 C ATOM 191 NZ LYS A 32 0.816 15.336 -3.923 1.00 84.25 N ATOM 192 N GLN A 33 8.083 18.086 -1.551 1.00 68.76 N ATOM 193 CA GLN A 33 8.908 19.168 -2.072 1.00 70.34 C ATOM 194 C GLN A 33 10.336 18.754 -2.306 1.00 65.39 C ATOM 195 O GLN A 33 10.890 19.097 -3.314 1.00 63.21 O ATOM 196 CB GLN A 33 8.889 20.402 -1.164 1.00 72.18 C ATOM 197 CG GLN A 33 9.209 21.686 -1.935 1.00 74.46 C ATOM 198 CD GLN A 33 10.167 22.622 -1.211 1.00 79.05 C ATOM 199 OE1 GLN A 33 9.807 23.271 -0.228 1.00 87.45 O ATOM 200 NE2 GLN A 33 11.396 22.720 -1.721 1.00 84.68 N ATOM 201 N ALA A 34 10.922 18.018 -1.365 1.00 67.31 N ATOM 202 CA ALA A 34 12.340 17.579 -1.437 1.00 65.87 C ATOM 203 C ALA A 34 12.593 16.846 -2.731 1.00 64.66 C ATOM 204 O ALA A 34 13.628 17.037 -3.364 1.00 64.80 O ATOM 205 CB ALA A 34 12.682 16.659 -0.272 1.00 62.66 C ATOM 206 N LEU A 35 11.610 16.019 -3.084 1.00 61.96 N ATOM 207 CA LEU A 35 11.579 15.229 -4.291 1.00 60.06 C ATOM 208 C LEU A 35 11.064 15.979 -5.541 1.00 58.89 C ATOM 209 O LEU A 35 11.344 15.593 -6.662 1.00 54.54 O ATOM 210 CB LEU A 35 10.675 14.018 -4.050 1.00 56.98 C ATOM 211 CG LEU A 35 11.047 12.888 -3.097 1.00 54.65 C ATOM 212 CD1 LEU A 35 9.831 12.045 -2.799 1.00 53.96 C ATOM 213 CD2 LEU A 35 12.136 12.023 -3.708 1.00 52.83 C ATOM 214 N LYS A 36 10.265 17.014 -5.376 1.00 63.67 N ATOM 215 CA LYS A 36 9.860 17.751 -6.541 1.00 68.01 C ATOM 216 C LYS A 36 11.128 18.325 -7.041 1.00 67.92 C ATOM 217 O LYS A 36 11.364 18.413 -8.265 1.00 68.04 O ATOM 218 CB LYS A 36 8.824 18.804 -6.214 1.00 71.61 C ATOM 219 CG LYS A 36 7.407 18.180 -6.401 1.00 79.55 C ATOM 220 CD LYS A 36 6.200 19.135 -6.115 1.00 81.01 C ATOM 221 CE LYS A 36 6.098 20.313 -7.131 1.00 83.23 C ATOM 222 NZ LYS A 36 4.930 21.229 -6.862 1.00 82.96 N ATOM 223 N ASN A 37 11.980 18.618 -6.063 1.00 67.05 N ATOM 224 CA ASN A 37 13.260 19.248 -6.285 1.00 70.21 C ATOM 225 C ASN A 37 14.263 18.280 -6.781 1.00 66.42 C ATOM 226 O ASN A 37 15.094 18.607 -7.595 1.00 70.22 O ATOM 227 CB ASN A 37 13.815 19.798 -4.979 1.00 75.57 C ATOM 228 CG ASN A 37 14.773 20.925 -5.196 1.00 79.23 C ATOM 229 OD1 ASN A 37 14.383 22.072 -5.073 1.00 87.70 O ATOM 230 ND2 ASN A 37 16.025 20.619 -5.537 1.00 79.07 N ATOM 231 N TYR A 38 14.243 17.089 -6.235 1.00 63.10 N ATOM 232 CA TYR A 38 15.239 16.109 -6.608 1.00 61.71 C ATOM 233 C TYR A 38 15.173 15.922 -8.111 1.00 62.46 C ATOM 234 O TYR A 38 16.205 16.066 -8.828 1.00 61.73 O ATOM 235 CB TYR A 38 15.004 14.801 -5.854 1.00 59.47 C ATOM 236 CG TYR A 38 16.031 13.751 -6.063 1.00 58.86 C ATOM 237 CD1 TYR A 38 17.380 14.041 -6.123 1.00 60.92 C ATOM 238 CD2 TYR A 38 15.651 12.435 -6.192 1.00 62.02 C ATOM 239 CE1 TYR A 38 18.335 13.003 -6.316 1.00 63.18 C ATOM 240 CE2 TYR A 38 16.581 11.379 -6.373 1.00 59.76 C ATOM 241 CZ TYR A 38 17.912 11.648 -6.426 1.00 61.95 C ATOM 242 OH TYR A 38 18.797 10.579 -6.620 1.00 60.17 O ATOM 243 N PHE A 39 13.950 15.670 -8.583 1.00 59.86 N ATOM 244 CA PHE A 39 13.735 15.291 -9.960 1.00 59.18 C ATOM 245 C PHE A 39 13.957 16.426 -10.827 1.00 59.36 C ATOM 246 O PHE A 39 14.403 16.255 -11.938 1.00 60.46 O ATOM 247 CB PHE A 39 12.309 14.891 -10.212 1.00 61.64 C ATOM 248 CG PHE A 39 11.872 13.674 -9.468 1.00 60.98 C ATOM 249 CD1 PHE A 39 10.599 13.587 -8.979 1.00 60.69 C ATOM 250 CD2 PHE A 39 12.719 12.640 -9.255 1.00 62.25 C ATOM 251 CE1 PHE A 39 10.185 12.507 -8.328 1.00 61.98 C ATOM 252 CE2 PHE A 39 12.299 11.562 -8.600 1.00 65.13 C ATOM 253 CZ PHE A 39 11.025 11.492 -8.138 1.00 64.66 C ATOM 254 N ALA A 40 13.551 17.586 -10.342 1.00 63.32 N ATOM 255 CA ALA A 40 13.709 18.814 -11.102 1.00 66.93 C ATOM 256 C ALA A 40 15.158 18.968 -11.533 1.00 64.92 C ATOM 257 O ALA A 40 15.442 19.183 -12.699 1.00 61.96 O ATOM 258 CB ALA A 40 13.237 20.029 -10.274 1.00 65.24 C ATOM 259 N GLN A 41 16.071 18.780 -10.591 1.00 70.59 N ATOM 260 CA GLN A 41 17.487 19.103 -10.801 1.00 75.28 C ATOM 261 C GLN A 41 18.260 17.995 -11.533 1.00 76.90 C ATOM 262 O GLN A 41 19.352 18.245 -12.054 1.00 78.49 O ATOM 263 CB GLN A 41 18.173 19.496 -9.472 1.00 79.69 C ATOM 264 CG GLN A 41 17.588 20.776 -8.787 1.00 83.50 C ATOM 265 CD GLN A 41 17.455 22.003 -9.739 1.00 86.96 C ATOM 266 OE1 GLN A 41 18.421 22.413 -10.393 1.00 87.67 O ATOM 267 NE2 GLN A 41 16.251 22.582 -9.804 1.00 88.92 N ATOM 268 N LEU A 42 17.695 16.787 -11.584 1.00 75.49 N ATOM 269 CA LEU A 42 18.108 15.807 -12.592 1.00 73.80 C ATOM 270 C LEU A 42 17.674 16.280 -13.973 1.00 73.07 C ATOM 271 O LEU A 42 16.924 17.235 -14.118 1.00 74.13 O ATOM 272 CB LEU A 42 17.466 14.444 -12.326 1.00 73.53 C ATOM 273 CG LEU A 42 17.982 13.589 -11.169 1.00 71.71 C ATOM 274 CD1 LEU A 42 17.285 12.156 -11.149 1.00 64.60 C ATOM 275 CD2 LEU A 42 19.513 13.545 -11.283 1.00 69.14 C ATOM 276 N ASN A 43 18.171 15.630 -14.998 1.00 73.30 N ATOM 277 CA ASN A 43 17.679 15.876 -16.329 1.00 77.72 C ATOM 278 C ASN A 43 17.657 14.494 -16.874 1.00 77.87 C ATOM 279 O ASN A 43 18.568 14.095 -17.594 1.00 80.54 O ATOM 280 CB ASN A 43 18.648 16.732 -17.177 1.00 82.04 C ATOM 281 CG ASN A 43 18.516 18.254 -16.950 1.00 84.56 C ATOM 282 OD1 ASN A 43 18.935 19.061 -17.824 1.00 82.16 O ATOM 283 ND2 ASN A 43 17.981 18.653 -15.778 1.00 84.63 N ATOM 284 N GLY A 44 16.673 13.715 -16.457 1.00 79.39 N ATOM 285 CA GLY A 44 16.474 12.336 -16.995 1.00 79.98 C ATOM 286 C GLY A 44 17.580 11.293 -16.800 1.00 79.53 C ATOM 287 O GLY A 44 17.617 10.252 -17.495 1.00 76.05 O ATOM 288 N GLN A 45 18.475 11.581 -15.853 1.00 79.16 N ATOM 289 CA GLN A 45 19.555 10.677 -15.489 1.00 78.43 C ATOM 290 C GLN A 45 18.898 9.613 -14.663 1.00 80.22 C ATOM 291 O GLN A 45 18.136 9.950 -13.764 1.00 83.56 O ATOM 292 CB GLN A 45 20.585 11.398 -14.635 1.00 76.42 C ATOM 293 CG GLN A 45 21.039 12.746 -15.168 1.00 74.22 C ATOM 294 CD GLN A 45 22.051 13.361 -14.261 1.00 72.67 C ATOM 295 OE1 GLN A 45 21.835 14.442 -13.744 1.00 68.90 O ATOM 296 NE2 GLN A 45 23.151 12.651 -14.020 1.00 69.76 N ATOM 297 N ASP A 46 19.144 8.337 -14.942 1.00 80.86 N ATOM 298 CA ASP A 46 18.336 7.310 -14.266 1.00 80.43 C ATOM 299 C ASP A 46 18.476 7.469 -12.742 1.00 75.11 C ATOM 300 O ASP A 46 19.513 7.929 -12.285 1.00 69.85 O ATOM 301 CB ASP A 46 18.555 5.849 -14.842 1.00 85.75 C ATOM 302 CG ASP A 46 19.964 5.204 -14.532 1.00 85.95 C ATOM 303 OD1 ASP A 46 20.980 5.926 -14.432 1.00 89.28 O ATOM 304 OD2 ASP A 46 20.046 3.944 -14.436 1.00 80.30 O ATOM 305 N VAL A 47 17.389 7.234 -12.002 1.00 73.92 N ATOM 306 CA VAL A 47 17.435 7.063 -10.533 1.00 77.46 C ATOM 307 C VAL A 47 17.545 5.555 -10.297 1.00 77.37 C ATOM 308 O VAL A 47 17.186 4.794 -11.157 1.00 82.45 O ATOM 309 CB VAL A 47 16.143 7.531 -9.798 1.00 77.41 C ATOM 310 CG1 VAL A 47 16.334 7.426 -8.275 1.00 76.67 C ATOM 311 CG2 VAL A 47 15.727 8.962 -10.194 1.00 78.84 C ATOM 312 N ASN A 48 18.029 5.105 -9.158 1.00 77.54 N ATOM 313 CA ASN A 48 18.060 3.675 -8.903 1.00 79.62 C ATOM 314 C ASN A 48 17.469 3.250 -7.547 1.00 84.16 C ATOM 315 O ASN A 48 16.593 2.377 -7.492 1.00 87.30 O ATOM 316 CB ASN A 48 19.487 3.171 -8.987 1.00 82.40 C ATOM 317 CG ASN A 48 19.731 2.337 -10.203 1.00 84.85 C ATOM 318 OD1 ASN A 48 19.965 1.114 -10.104 1.00 82.99 O ATOM 319 ND2 ASN A 48 19.698 2.984 -11.376 1.00 88.53 N ATOM 320 N ASP A 49 17.955 3.842 -6.451 1.00 82.71 N ATOM 321 CA ASP A 49 17.650 3.337 -5.115 1.00 78.40 C ATOM 322 C ASP A 49 16.944 4.384 -4.254 1.00 74.40 C ATOM 323 O ASP A 49 17.328 4.638 -3.096 1.00 74.09 O ATOM 324 CB ASP A 49 18.954 2.897 -4.460 1.00 83.56 C ATOM 325 CG ASP A 49 19.671 1.788 -5.238 1.00 85.08 C ATOM 326 OD1 ASP A 49 19.115 1.222 -6.221 1.00 86.31 O ATOM 327 OD2 ASP A 49 20.814 1.473 -4.836 1.00 86.91 O ATOM 328 N LEU A 50 15.894 4.966 -4.822 1.00 66.59 N ATOM 329 CA LEU A 50 15.268 6.136 -4.242 1.00 66.82 C ATOM 330 C LEU A 50 14.499 5.806 -2.980 1.00 69.89 C ATOM 331 O LEU A 50 14.216 6.713 -2.142 1.00 68.38 O ATOM 332 CB LEU A 50 14.325 6.742 -5.242 1.00 61.59 C ATOM 333 CG LEU A 50 13.574 7.949 -4.775 1.00 60.21 C ATOM 334 CD1 LEU A 50 14.555 8.974 -4.270 1.00 58.72 C ATOM 335 CD2 LEU A 50 12.815 8.451 -5.932 1.00 63.05 C ATOM 336 N TYR A 51 14.146 4.516 -2.853 1.00 70.98 N ATOM 337 CA TYR A 51 13.427 4.034 -1.691 1.00 69.52 C ATOM 338 C TYR A 51 14.383 3.995 -0.531 1.00 73.19 C ATOM 339 O TYR A 51 14.078 4.457 0.571 1.00 73.07 O ATOM 340 CB TYR A 51 12.808 2.666 -1.890 1.00 69.04 C ATOM 341 CG TYR A 51 12.111 2.310 -0.636 1.00 69.87 C ATOM 342 CD1 TYR A 51 10.923 2.935 -0.295 1.00 71.08 C ATOM 343 CD2 TYR A 51 12.697 1.458 0.285 1.00 73.58 C ATOM 344 CE1 TYR A 51 10.293 2.670 0.882 1.00 70.98 C ATOM 345 CE2 TYR A 51 12.085 1.172 1.478 1.00 74.69 C ATOM 346 CZ TYR A 51 10.874 1.784 1.774 1.00 73.88 C ATOM 347 OH TYR A 51 10.251 1.503 2.964 1.00 72.79 O ATOM 348 N GLU A 52 15.568 3.472 -0.801 1.00 77.07 N ATOM 349 CA GLU A 52 16.588 3.396 0.216 1.00 78.55 C ATOM 350 C GLU A 52 17.160 4.737 0.590 1.00 77.07 C ATOM 351 O GLU A 52 17.643 4.930 1.706 1.00 81.69 O ATOM 352 CB GLU A 52 17.730 2.514 -0.240 1.00 82.00 C ATOM 353 CG GLU A 52 18.563 2.118 0.912 1.00 85.94 C ATOM 354 CD GLU A 52 17.677 1.752 2.054 1.00 88.55 C ATOM 355 OE1 GLU A 52 16.936 0.743 1.834 1.00 88.46 O ATOM 356 OE2 GLU A 52 17.686 2.499 3.098 1.00 87.79 O ATOM 357 N LEU A 53 17.151 5.640 -0.373 1.00 75.39 N ATOM 358 CA LEU A 53 17.640 6.978 -0.174 1.00 72.73 C ATOM 359 C LEU A 53 16.700 7.718 0.745 1.00 75.37 C ATOM 360 O LEU A 53 17.131 8.351 1.703 1.00 79.32 O ATOM 361 CB LEU A 53 17.716 7.683 -1.505 1.00 69.56 C ATOM 362 CG LEU A 53 18.031 9.142 -1.363 1.00 71.38 C ATOM 363 CD1 LEU A 53 19.432 9.306 -0.795 1.00 74.86 C ATOM 364 CD2 LEU A 53 17.880 9.817 -2.720 1.00 73.84 C ATOM 365 N VAL A 54 15.406 7.655 0.456 1.00 75.12 N ATOM 366 CA VAL A 54 14.479 8.453 1.227 1.00 71.40 C ATOM 367 C VAL A 54 14.464 7.915 2.609 1.00 70.07 C ATOM 368 O VAL A 54 14.582 8.664 3.541 1.00 70.44 O ATOM 369 CB VAL A 54 13.075 8.464 0.664 1.00 70.74 C ATOM 370 CG1 VAL A 54 12.059 8.192 1.776 1.00 67.70 C ATOM 371 CG2 VAL A 54 12.829 9.819 0.005 1.00 69.76 C ATOM 372 N LEU A 55 14.363 6.603 2.723 1.00 70.40 N ATOM 373 CA LEU A 55 14.332 5.932 4.016 1.00 70.12 C ATOM 374 C LEU A 55 15.572 6.209 4.835 1.00 69.88 C ATOM 375 O LEU A 55 15.454 6.437 6.026 1.00 72.21 O ATOM 376 CB LEU A 55 14.232 4.414 3.805 1.00 74.95 C ATOM 377 CG LEU A 55 13.846 3.470 4.951 1.00 74.20 C ATOM 378 CD1 LEU A 55 12.299 3.548 5.152 1.00 72.96 C ATOM 379 CD2 LEU A 55 14.381 2.020 4.705 1.00 68.95 C ATOM 380 N ALA A 56 16.755 6.150 4.206 1.00 68.99 N ATOM 381 CA ALA A 56 18.035 6.474 4.854 1.00 64.72 C ATOM 382 C ALA A 56 17.924 7.797 5.536 1.00 65.25 C ATOM 383 O ALA A 56 18.304 7.949 6.636 1.00 70.46 O ATOM 384 CB ALA A 56 19.102 6.548 3.861 1.00 62.43 C ATOM 385 N GLU A 57 17.357 8.771 4.885 1.00 70.78 N ATOM 386 CA GLU A 57 17.281 10.081 5.465 1.00 73.65 C ATOM 387 C GLU A 57 16.144 10.255 6.453 1.00 68.99 C ATOM 388 O GLU A 57 16.034 11.269 7.053 1.00 71.15 O ATOM 389 CB GLU A 57 17.131 11.097 4.328 1.00 79.36 C ATOM 390 CG GLU A 57 17.308 12.567 4.760 1.00 83.28 C ATOM 391 CD GLU A 57 18.355 13.361 3.941 1.00 86.41 C ATOM 392 OE1 GLU A 57 19.328 12.696 3.465 1.00 91.44 O ATOM 393 OE2 GLU A 57 18.218 14.635 3.828 1.00 88.66 O ATOM 394 N VAL A 58 15.272 9.294 6.618 1.00 70.63 N ATOM 395 CA VAL A 58 14.154 9.442 7.555 1.00 72.45 C ATOM 396 C VAL A 58 14.407 8.599 8.783 1.00 69.84 C ATOM 397 O VAL A 58 14.130 9.010 9.880 1.00 73.11 O ATOM 398 CB VAL A 58 12.773 9.087 6.884 1.00 74.25 C ATOM 399 CG1 VAL A 58 11.675 8.699 7.910 1.00 73.69 C ATOM 400 CG2 VAL A 58 12.318 10.258 6.087 1.00 73.61 C ATOM 401 N GLU A 59 14.945 7.419 8.611 1.00 70.05 N ATOM 402 CA GLU A 59 15.309 6.634 9.767 1.00 73.53 C ATOM 403 C GLU A 59 16.294 7.357 10.719 1.00 72.05 C ATOM 404 O GLU A 59 16.019 7.429 11.902 1.00 73.66 O ATOM 405 CB GLU A 59 15.833 5.254 9.348 1.00 73.69 C ATOM 406 CG GLU A 59 14.727 4.244 9.159 1.00 75.87 C ATOM 407 CD GLU A 59 15.243 2.851 8.772 1.00 80.82 C ATOM 408 OE1 GLU A 59 16.452 2.710 8.412 1.00 84.08 O ATOM 409 OE2 GLU A 59 14.429 1.883 8.821 1.00 86.03 O ATOM 410 N GLN A 60 17.403 7.905 10.233 1.00 68.63 N ATOM 411 CA GLN A 60 18.373 8.527 11.124 1.00 72.82 C ATOM 412 C GLN A 60 17.800 9.605 12.093 1.00 74.99 C ATOM 413 O GLN A 60 17.986 9.526 13.305 1.00 78.24 O ATOM 414 CB GLN A 60 19.521 9.105 10.314 1.00 75.52 C ATOM 415 CG GLN A 60 20.373 8.030 9.674 1.00 79.40 C ATOM 416 CD GLN A 60 21.564 8.598 8.925 1.00 80.91 C ATOM 417 OE1 GLN A 60 21.475 8.895 7.726 1.00 83.91 O ATOM 418 NE2 GLN A 60 22.689 8.760 9.632 1.00 84.45 N ATOM 419 N PRO A 61 17.077 10.605 11.584 1.00 74.19 N ATOM 420 CA PRO A 61 16.481 11.553 12.509 1.00 72.31 C ATOM 421 C PRO A 61 15.429 10.960 13.445 1.00 70.61 C ATOM 422 O PRO A 61 15.197 11.508 14.514 1.00 71.54 O ATOM 423 CB PRO A 61 15.778 12.542 11.584 1.00 75.33 C ATOM 424 CG PRO A 61 16.342 12.334 10.287 1.00 74.99 C ATOM 425 CD PRO A 61 16.722 10.924 10.202 1.00 75.42 C ATOM 426 N LEU A 62 14.750 9.905 13.015 1.00 66.50 N ATOM 427 CA LEU A 62 13.815 9.219 13.872 1.00 64.20 C ATOM 428 C LEU A 62 14.568 8.549 14.986 1.00 60.93 C ATOM 429 O LEU A 62 14.200 8.698 16.124 1.00 63.75 O ATOM 430 CB LEU A 62 13.015 8.195 13.099 1.00 62.37 C ATOM 431 CG LEU A 62 11.992 7.457 13.925 1.00 62.19 C ATOM 432 CD1 LEU A 62 11.137 8.465 14.638 1.00 59.67 C ATOM 433 CD2 LEU A 62 11.179 6.572 13.015 1.00 62.31 C ATOM 434 N LEU A 63 15.641 7.847 14.666 1.00 60.81 N ATOM 435 CA LEU A 63 16.440 7.128 15.676 1.00 62.95 C ATOM 436 C LEU A 63 17.135 8.092 16.660 1.00 63.09 C ATOM 437 O LEU A 63 17.135 7.873 17.867 1.00 62.25 O ATOM 438 CB LEU A 63 17.477 6.183 15.007 1.00 62.28 C ATOM 439 CG LEU A 63 17.086 4.889 14.202 1.00 62.62 C ATOM 440 CD1 LEU A 63 18.241 4.430 13.272 1.00 58.82 C ATOM 441 CD2 LEU A 63 16.630 3.717 15.107 1.00 59.40 C ATOM 442 N ASP A 64 17.709 9.170 16.155 1.00 65.64 N ATOM 443 CA ASP A 64 18.346 10.133 17.039 1.00 69.68 C ATOM 444 C ASP A 64 17.314 10.578 18.040 1.00 67.33 C ATOM 445 O ASP A 64 17.461 10.381 19.217 1.00 69.60 O ATOM 446 CB ASP A 64 18.894 11.357 16.268 1.00 77.53 C ATOM 447 CG ASP A 64 20.416 11.277 15.994 1.00 83.10 C ATOM 448 OD1 ASP A 64 21.189 11.914 16.760 1.00 85.56 O ATOM 449 OD2 ASP A 64 20.839 10.587 15.024 1.00 87.01 O ATOM 450 N MET A 65 16.229 11.123 17.541 1.00 69.50 N ATOM 451 CA MET A 65 15.226 11.746 18.374 1.00 70.91 C ATOM 452 C MET A 65 14.550 10.809 19.344 1.00 70.94 C ATOM 453 O MET A 65 14.139 11.266 20.395 1.00 70.33 O ATOM 454 CB MET A 65 14.150 12.395 17.520 1.00 72.57 C ATOM 455 CG MET A 65 14.635 13.550 16.695 1.00 75.84 C ATOM 456 SD MET A 65 14.994 15.069 17.631 1.00 81.69 S ATOM 457 CE MET A 65 16.732 14.771 18.072 1.00 79.34 C ATOM 458 N VAL A 66 14.399 9.525 19.023 1.00 70.90 N ATOM 459 CA VAL A 66 13.803 8.617 20.028 1.00 72.87 C ATOM 460 C VAL A 66 14.817 8.053 21.024 1.00 73.93 C ATOM 461 O VAL A 66 14.441 7.590 22.097 1.00 74.20 O ATOM 462 CB VAL A 66 13.081 7.456 19.436 1.00 68.45 C ATOM 463 CG1 VAL A 66 12.230 7.914 18.332 1.00 70.33 C ATOM 464 CG2 VAL A 66 14.052 6.512 18.967 1.00 69.03 C ATOM 465 N MET A 67 16.090 8.080 20.662 1.00 75.27 N ATOM 466 CA MET A 67 17.129 7.746 21.609 1.00 76.42 C ATOM 467 C MET A 67 17.463 8.911 22.492 1.00 78.99 C ATOM 468 O MET A 67 17.902 8.722 23.609 1.00 83.45 O ATOM 469 CB MET A 67 18.370 7.297 20.887 1.00 77.61 C ATOM 470 CG MET A 67 18.167 5.943 20.253 1.00 81.00 C ATOM 471 SD MET A 67 17.738 4.646 21.446 1.00 82.19 S ATOM 472 CE MET A 67 19.382 4.012 21.823 1.00 78.89 C ATOM 473 N GLN A 68 17.280 10.120 22.000 1.00 79.16 N ATOM 474 CA GLN A 68 17.485 11.274 22.823 1.00 78.05 C ATOM 475 C GLN A 68 16.364 11.275 23.866 1.00 77.15 C ATOM 476 O GLN A 68 16.621 11.373 25.052 1.00 78.28 O ATOM 477 CB GLN A 68 17.467 12.507 21.939 1.00 80.92 C ATOM 478 CG GLN A 68 17.590 13.841 22.649 1.00 84.78 C ATOM 479 CD GLN A 68 17.818 15.004 21.664 1.00 86.84 C ATOM 480 OE1 GLN A 68 18.754 14.966 20.849 1.00 90.12 O ATOM 481 NE2 GLN A 68 16.970 16.040 21.746 1.00 90.38 N ATOM 482 N TYR A 69 15.128 11.091 23.417 1.00 76.92 N ATOM 483 CA TYR A 69 13.958 11.061 24.293 1.00 74.94 C ATOM 484 C TYR A 69 14.018 9.995 25.357 1.00 74.39 C ATOM 485 O TYR A 69 13.777 10.279 26.513 1.00 76.58 O ATOM 486 CB TYR A 69 12.735 10.760 23.473 1.00 76.52 C ATOM 487 CG TYR A 69 11.431 10.915 24.203 1.00 76.84 C ATOM 488 CD1 TYR A 69 10.959 12.166 24.560 1.00 76.47 C ATOM 489 CD2 TYR A 69 10.642 9.815 24.487 1.00 77.35 C ATOM 490 CE1 TYR A 69 9.735 12.318 25.194 1.00 76.91 C ATOM 491 CE2 TYR A 69 9.415 9.956 25.120 1.00 77.45 C ATOM 492 CZ TYR A 69 8.964 11.211 25.468 1.00 76.80 C ATOM 493 OH TYR A 69 7.744 11.354 26.093 1.00 77.37 O ATOM 494 N THR A 70 14.321 8.765 24.966 1.00 71.75 N ATOM 495 CA THR A 70 14.392 7.657 25.920 1.00 70.07 C ATOM 496 C THR A 70 15.775 7.515 26.549 1.00 70.32 C ATOM 497 O THR A 70 16.189 6.403 26.891 1.00 68.71 O ATOM 498 CB THR A 70 13.999 6.317 25.260 1.00 66.90 C ATOM 499 OG1 THR A 70 15.156 5.675 24.722 1.00 63.80 O ATOM 500 CG2 THR A 70 12.979 6.562 24.157 1.00 67.51 C ATOM 501 N ARG A 71 16.501 8.629 26.669 1.00 71.88 N ATOM 502 CA ARG A 71 17.820 8.646 27.318 1.00 72.34 C ATOM 503 C ARG A 71 18.692 7.441 27.014 1.00 66.53 C ATOM 504 O ARG A 71 19.189 6.815 27.897 1.00 65.32 O ATOM 505 CB ARG A 71 17.618 8.717 28.821 1.00 79.12 C ATOM 506 CG ARG A 71 16.872 9.941 29.247 1.00 83.43 C ATOM 507 CD ARG A 71 17.820 11.123 29.284 1.00 88.38 C ATOM 508 NE ARG A 71 17.153 12.427 29.336 1.00 89.53 N ATOM 509 CZ ARG A 71 16.434 12.873 30.361 1.00 91.08 C ATOM 510 NH1 ARG A 71 16.242 12.097 31.423 1.00 91.33 N ATOM 511 NH2 ARG A 71 15.884 14.092 30.312 1.00 91.59 N ATOM 512 N GLY A 72 18.847 7.098 25.755 1.00 67.32 N ATOM 513 CA GLY A 72 19.641 5.924 25.366 1.00 67.99 C ATOM 514 C GLY A 72 18.996 4.566 25.586 1.00 64.70 C ATOM 515 O GLY A 72 19.498 3.584 25.094 1.00 58.53 O ATOM 516 N ASN A 73 17.880 4.523 26.308 1.00 62.80 N ATOM 517 CA ASN A 73 17.196 3.276 26.617 1.00 63.30 C ATOM 518 C ASN A 73 16.674 2.558 25.358 1.00 61.80 C ATOM 519 O ASN A 73 15.576 2.809 24.887 1.00 63.20 O ATOM 520 CB ASN A 73 16.058 3.576 27.607 1.00 61.47 C ATOM 521 CG ASN A 73 15.506 2.330 28.290 1.00 60.78 C ATOM 522 OD1 ASN A 73 15.409 1.267 27.665 1.00 60.61 O ATOM 523 ND2 ASN A 73 15.105 2.465 29.578 1.00 57.42 N ATOM 524 N GLN A 74 17.476 1.653 24.823 1.00 63.92 N ATOM 525 CA GLN A 74 17.105 0.867 23.631 1.00 66.66 C ATOM 526 C GLN A 74 15.778 0.161 23.787 1.00 68.64 C ATOM 527 O GLN A 74 15.026 0.045 22.811 1.00 71.65 O ATOM 528 CB GLN A 74 18.149 -0.209 23.315 1.00 66.66 C ATOM 529 CG GLN A 74 19.466 0.295 22.731 1.00 69.16 C ATOM 530 CD GLN A 74 20.476 -0.825 22.628 1.00 71.90 C ATOM 531 OE1 GLN A 74 20.759 -1.350 21.532 1.00 74.58 O ATOM 532 NE2 GLN A 74 20.978 -1.256 23.780 1.00 74.01 N ATOM 533 N THR A 75 15.511 -0.334 25.000 1.00 69.19 N ATOM 534 CA THR A 75 14.309 -1.126 25.285 1.00 69.98 C ATOM 535 C THR A 75 13.020 -0.258 25.145 1.00 70.97 C ATOM 536 O THR A 75 12.117 -0.630 24.406 1.00 72.06 O ATOM 537 CB THR A 75 14.411 -1.847 26.681 1.00 69.86 C ATOM 538 OG1 THR A 75 15.668 -2.538 26.796 1.00 71.28 O ATOM 539 CG2 THR A 75 13.285 -2.851 26.882 1.00 67.81 C ATOM 540 N ARG A 76 12.946 0.899 25.803 1.00 70.48 N ATOM 541 CA ARG A 76 11.781 1.787 25.647 1.00 72.28 C ATOM 542 C ARG A 76 11.684 2.322 24.224 1.00 71.90 C ATOM 543 O ARG A 76 10.579 2.475 23.701 1.00 74.30 O ATOM 544 CB ARG A 76 11.775 2.964 26.654 1.00 74.74 C ATOM 545 CG ARG A 76 11.783 2.531 28.156 1.00 77.15 C ATOM 546 CD ARG A 76 11.114 3.518 29.083 1.00 78.52 C ATOM 547 NE ARG A 76 11.282 4.880 28.580 1.00 82.54 N ATOM 548 CZ ARG A 76 10.343 5.837 28.611 1.00 85.72 C ATOM 549 NH1 ARG A 76 9.149 5.592 29.146 1.00 88.62 N ATOM 550 NH2 ARG A 76 10.590 7.064 28.123 1.00 83.74 N ATOM 551 N ALA A 77 12.823 2.595 23.588 1.00 68.78 N ATOM 552 CA ALA A 77 12.815 3.000 22.171 1.00 67.90 C ATOM 553 C ALA A 77 12.043 2.013 21.274 1.00 65.64 C ATOM 554 O ALA A 77 11.049 2.364 20.646 1.00 59.45 O ATOM 555 CB ALA A 77 14.214 3.160 21.676 1.00 66.46 C ATOM 556 N ALA A 78 12.497 0.764 21.241 1.00 68.09 N ATOM 557 CA ALA A 78 11.774 -0.285 20.515 1.00 69.24 C ATOM 558 C ALA A 78 10.273 -0.227 20.817 1.00 70.08 C ATOM 559 O ALA A 78 9.484 -0.244 19.888 1.00 75.52 O ATOM 560 CB ALA A 78 12.355 -1.690 20.804 1.00 66.10 C ATOM 561 N LEU A 79 9.878 -0.118 22.086 1.00 69.17 N ATOM 562 CA LEU A 79 8.453 -0.109 22.441 1.00 70.92 C ATOM 563 C LEU A 79 7.729 1.119 21.860 1.00 73.15 C ATOM 564 O LEU A 79 6.587 1.002 21.386 1.00 71.73 O ATOM 565 CB LEU A 79 8.235 -0.167 23.967 1.00 69.61 C ATOM 566 CG LEU A 79 8.755 -1.357 24.802 1.00 68.78 C ATOM 567 CD1 LEU A 79 8.438 -1.128 26.273 1.00 66.97 C ATOM 568 CD2 LEU A 79 8.226 -2.712 24.370 1.00 66.91 C ATOM 569 N MET A 80 8.391 2.280 21.901 1.00 74.49 N ATOM 570 CA MET A 80 7.839 3.517 21.340 1.00 76.89 C ATOM 571 C MET A 80 7.609 3.387 19.865 1.00 76.07 C ATOM 572 O MET A 80 6.519 3.639 19.365 1.00 80.21 O ATOM 573 CB MET A 80 8.809 4.676 21.492 1.00 79.61 C ATOM 574 CG MET A 80 8.912 5.221 22.872 1.00 83.44 C ATOM 575 SD MET A 80 9.619 6.877 22.838 1.00 85.90 S ATOM 576 CE MET A 80 8.148 7.855 22.387 1.00 84.22 C ATOM 577 N MET A 81 8.668 3.023 19.164 1.00 73.31 N ATOM 578 CA MET A 81 8.622 2.927 17.733 1.00 72.35 C ATOM 579 C MET A 81 7.717 1.788 17.253 1.00 71.50 C ATOM 580 O MET A 81 7.108 1.873 16.184 1.00 72.34 O ATOM 581 CB MET A 81 10.026 2.726 17.224 1.00 73.57 C ATOM 582 CG MET A 81 10.857 3.973 17.180 1.00 74.16 C ATOM 583 SD MET A 81 12.581 3.448 17.138 1.00 80.42 S ATOM 584 CE MET A 81 13.292 4.275 15.697 1.00 77.67 C ATOM 585 N GLY A 82 7.620 0.727 18.043 1.00 69.63 N ATOM 586 CA GLY A 82 6.799 -0.423 17.676 1.00 69.53 C ATOM 587 C GLY A 82 7.557 -1.488 16.897 1.00 69.43 C ATOM 588 O GLY A 82 6.933 -2.397 16.317 1.00 67.59 O ATOM 589 N ILE A 83 8.893 -1.371 16.900 1.00 67.19 N ATOM 590 CA ILE A 83 9.793 -2.383 16.349 1.00 67.10 C ATOM 591 C ILE A 83 10.452 -3.221 17.446 1.00 64.04 C ATOM 592 O ILE A 83 10.421 -2.851 18.597 1.00 63.30 O ATOM 593 CB ILE A 83 10.894 -1.730 15.494 1.00 68.45 C ATOM 594 CG1 ILE A 83 11.745 -0.751 16.307 1.00 70.18 C ATOM 595 CG2 ILE A 83 10.286 -0.950 14.427 1.00 70.07 C ATOM 596 CD1 ILE A 83 12.899 -0.170 15.524 1.00 68.56 C ATOM 597 N ASN A 84 11.103 -4.304 17.050 1.00 62.62 N ATOM 598 CA ASN A 84 11.751 -5.236 17.958 1.00 64.91 C ATOM 599 C ASN A 84 13.126 -4.760 18.374 1.00 65.15 C ATOM 600 O ASN A 84 13.831 -4.225 17.547 1.00 66.48 O ATOM 601 CB ASN A 84 11.907 -6.546 17.211 1.00 66.62 C ATOM 602 CG ASN A 84 12.293 -7.695 18.098 1.00 68.84 C ATOM 603 OD1 ASN A 84 13.459 -8.081 18.127 1.00 74.04 O ATOM 604 ND2 ASN A 84 11.314 -8.284 18.798 1.00 64.55 N ATOM 605 N ARG A 85 13.522 -4.995 19.630 1.00 66.24 N ATOM 606 CA ARG A 85 14.885 -4.663 20.126 1.00 69.40 C ATOM 607 C ARG A 85 16.032 -5.036 19.164 1.00 72.88 C ATOM 608 O ARG A 85 17.133 -4.452 19.155 1.00 70.47 O ATOM 609 CB ARG A 85 15.159 -5.420 21.417 1.00 70.83 C ATOM 610 CG ARG A 85 14.804 -4.699 22.728 1.00 72.04 C ATOM 611 CD ARG A 85 14.889 -5.671 23.966 1.00 69.57 C ATOM 612 NE ARG A 85 16.212 -6.303 24.104 1.00 68.45 N ATOM 613 CZ ARG A 85 16.433 -7.597 24.365 1.00 69.12 C ATOM 614 NH1 ARG A 85 15.423 -8.453 24.536 1.00 69.19 N ATOM 615 NH2 ARG A 85 17.686 -8.040 24.469 1.00 67.99 N ATOM 616 N GLY A 86 15.785 -6.071 18.382 1.00 74.70 N ATOM 617 CA GLY A 86 16.798 -6.559 17.474 1.00 74.21 C ATOM 618 C GLY A 86 16.834 -5.653 16.304 1.00 69.60 C ATOM 619 O GLY A 86 17.847 -5.061 15.990 1.00 69.56 O ATOM 620 N THR A 87 15.694 -5.541 15.671 1.00 68.86 N ATOM 621 CA THR A 87 15.599 -4.615 14.602 1.00 72.15 C ATOM 622 C THR A 87 16.317 -3.340 15.011 1.00 70.18 C ATOM 623 O THR A 87 17.237 -2.901 14.351 1.00 67.41 O ATOM 624 CB THR A 87 14.150 -4.311 14.280 1.00 76.01 C ATOM 625 OG1 THR A 87 13.448 -5.547 14.106 1.00 78.03 O ATOM 626 CG2 THR A 87 14.059 -3.463 13.000 1.00 77.20 C ATOM 627 N LEU A 88 15.917 -2.775 16.141 1.00 72.61 N ATOM 628 CA LEU A 88 16.406 -1.463 16.566 1.00 71.73 C ATOM 629 C LEU A 88 17.921 -1.464 16.596 1.00 73.65 C ATOM 630 O LEU A 88 18.551 -0.533 16.115 1.00 73.28 O ATOM 631 CB LEU A 88 15.828 -1.112 17.927 1.00 69.29 C ATOM 632 CG LEU A 88 16.311 0.133 18.635 1.00 69.92 C ATOM 633 CD1 LEU A 88 16.042 1.328 17.765 1.00 72.63 C ATOM 634 CD2 LEU A 88 15.599 0.255 19.989 1.00 68.18 C ATOM 635 N ARG A 89 18.510 -2.533 17.119 1.00 74.50 N ATOM 636 CA ARG A 89 19.958 -2.595 17.201 1.00 76.54 C ATOM 637 C ARG A 89 20.593 -2.589 15.849 1.00 76.62 C ATOM 638 O ARG A 89 21.541 -1.844 15.614 1.00 78.39 O ATOM 639 CB ARG A 89 20.384 -3.852 17.899 1.00 79.22 C ATOM 640 CG ARG A 89 20.187 -3.771 19.350 1.00 82.69 C ATOM 641 CD ARG A 89 20.631 -5.047 20.027 1.00 84.27 C ATOM 642 NE ARG A 89 21.007 -4.751 21.409 1.00 84.53 N ATOM 643 CZ ARG A 89 22.194 -4.307 21.804 1.00 84.48 C ATOM 644 NH1 ARG A 89 23.191 -4.103 20.959 1.00 85.57 N ATOM 645 NH2 ARG A 89 22.379 -4.068 23.078 1.00 86.33 N ATOM 646 N LYS A 90 20.075 -3.465 14.988 1.00 77.20 N ATOM 647 CA LYS A 90 20.537 -3.628 13.614 1.00 77.29 C ATOM 648 C LYS A 90 20.664 -2.274 12.938 1.00 76.17 C ATOM 649 O LYS A 90 21.723 -1.955 12.368 1.00 74.52 O ATOM 650 CB LYS A 90 19.547 -4.511 12.836 1.00 78.61 C ATOM 651 CG LYS A 90 19.933 -4.808 11.405 1.00 79.37 C ATOM 652 CD LYS A 90 18.876 -5.731 10.694 1.00 82.03 C ATOM 653 CE LYS A 90 19.077 -5.835 9.113 1.00 80.69 C ATOM 654 NZ LYS A 90 18.110 -6.744 8.483 1.00 76.34 N ATOM 655 N LYS A 91 19.579 -1.489 13.042 1.00 75.23 N ATOM 656 CA LYS A 91 19.462 -0.146 12.429 1.00 73.09 C ATOM 657 C LYS A 91 20.462 0.820 13.071 1.00 71.53 C ATOM 658 O LYS A 91 20.936 1.765 12.440 1.00 70.24 O ATOM 659 CB LYS A 91 18.032 0.426 12.560 1.00 70.92 C ATOM 660 CG LYS A 91 16.918 -0.392 11.910 1.00 71.65 C ATOM 661 CD LYS A 91 15.535 0.334 11.729 1.00 71.92 C ATOM 662 CE LYS A 91 14.535 -0.535 10.845 1.00 75.45 C ATOM 663 NZ LYS A 91 15.067 -1.215 9.556 1.00 76.12 N ATOM 664 N LEU A 92 20.764 0.579 14.337 1.00 68.63 N ATOM 665 CA LEU A 92 21.706 1.411 15.022 1.00 72.50 C ATOM 666 C LEU A 92 23.079 1.121 14.428 1.00 73.22 C ATOM 667 O LEU A 92 23.833 2.039 14.103 1.00 72.53 O ATOM 668 CB LEU A 92 21.607 1.241 16.565 1.00 69.38 C ATOM 669 CG LEU A 92 20.245 1.710 17.141 1.00 65.13 C ATOM 670 CD1 LEU A 92 19.863 1.036 18.429 1.00 59.03 C ATOM 671 CD2 LEU A 92 20.218 3.200 17.308 1.00 64.94 C ATOM 672 N LYS A 93 23.385 -0.148 14.220 1.00 79.10 N ATOM 673 CA LYS A 93 24.629 -0.492 13.522 1.00 81.92 C ATOM 674 C LYS A 93 24.710 0.137 12.104 1.00 82.01 C ATOM 675 O LYS A 93 25.753 0.695 11.718 1.00 73.23 O ATOM 676 CB LYS A 93 24.783 -2.008 13.439 1.00 84.46 C ATOM 677 CG LYS A 93 26.204 -2.434 13.123 1.00 85.86 C ATOM 678 CD LYS A 93 26.358 -3.967 13.069 1.00 87.85 C ATOM 679 CE LYS A 93 26.147 -4.607 14.430 1.00 90.87 C ATOM 680 NZ LYS A 93 26.998 -3.965 15.500 1.00 93.13 N ATOM 681 N LYS A 94 23.586 0.069 11.373 1.00 83.44 N ATOM 682 CA LYS A 94 23.519 0.490 9.970 1.00 82.22 C ATOM 683 C LYS A 94 24.029 1.881 9.806 1.00 78.62 C ATOM 684 O LYS A 94 24.756 2.168 8.875 1.00 80.96 O ATOM 685 CB LYS A 94 22.098 0.414 9.391 1.00 81.86 C ATOM 686 CG LYS A 94 22.068 0.490 7.838 1.00 86.23 C ATOM 687 CD LYS A 94 20.657 0.730 7.230 1.00 88.59 C ATOM 688 CE LYS A 94 19.848 -0.613 7.105 1.00 93.15 C ATOM 689 NZ LYS A 94 18.330 -0.494 7.121 1.00 94.30 N ATOM 690 N TYR A 95 23.647 2.750 10.716 1.00 77.50 N ATOM 691 CA TYR A 95 24.050 4.129 10.628 1.00 79.03 C ATOM 692 C TYR A 95 25.176 4.384 11.580 1.00 78.46 C ATOM 693 O TYR A 95 25.499 5.532 11.854 1.00 78.62 O ATOM 694 CB TYR A 95 22.864 5.051 10.917 1.00 81.19 C ATOM 695 CG TYR A 95 21.697 4.768 9.994 1.00 82.31 C ATOM 696 CD1 TYR A 95 21.779 5.067 8.641 1.00 83.40 C ATOM 697 CD2 TYR A 95 20.530 4.163 10.460 1.00 81.21 C ATOM 698 CE1 TYR A 95 20.735 4.781 7.776 1.00 82.71 C ATOM 699 CE2 TYR A 95 19.483 3.892 9.598 1.00 80.95 C ATOM 700 CZ TYR A 95 19.601 4.207 8.261 1.00 81.20 C ATOM 701 OH TYR A 95 18.583 3.960 7.392 1.00 83.59 O ATOM 702 N GLY A 96 25.803 3.317 12.064 1.00 79.78 N ATOM 703 CA GLY A 96 26.864 3.458 13.058 1.00 82.50 C ATOM 704 C GLY A 96 26.511 4.494 14.117 1.00 81.51 C ATOM 705 O GLY A 96 27.221 5.472 14.299 1.00 78.93 O ATOM 706 N MET A 97 25.387 4.263 14.783 1.00 84.75 N ATOM 707 CA MET A 97 24.808 5.185 15.766 1.00 88.31 C ATOM 708 C MET A 97 25.029 4.618 17.172 1.00 88.38 C ATOM 709 O MET A 97 24.686 5.247 18.172 1.00 85.58 O ATOM 710 CB MET A 97 23.296 5.346 15.470 1.00 88.06 C ATOM 711 CG MET A 97 22.659 6.663 15.868 1.00 88.04 C ATOM 712 SD MET A 97 21.242 7.027 14.811 1.00 91.24 S ATOM 713 CE MET A 97 21.895 8.260 13.644 1.00 88.10 C ATOM 714 N ASN A 98 25.609 3.426 17.237 1.00 91.43 N ATOM 715 CA ASN A 98 25.853 2.735 18.511 1.00 95.63 C ATOM 716 C ASN A 98 27.127 3.193 19.287 1.00 98.25 C ATOM 717 O ASN A 98 27.785 4.195 18.952 1.00 98.61 O ATOM 718 CB ASN A 98 25.895 1.218 18.273 1.00 97.25 C ATOM 719 CG ASN A 98 27.010 0.806 17.306 1.00 99.07 C ATOM 720 OD1 ASN A 98 26.760 0.546 16.121 1.00 99.27 O ATOM 721 ND2 ASN A 98 28.255 0.777 17.809 1.00101.87 N TER 722 ASN A 98 ATOM 723 N MET B 1 36.140 20.955 -12.397 1.00 85.92 N ATOM 724 CA MET B 1 35.908 19.849 -11.413 1.00 85.15 C ATOM 725 C MET B 1 34.470 19.895 -10.809 1.00 82.98 C ATOM 726 O MET B 1 33.782 20.922 -10.877 1.00 80.21 O ATOM 727 CB MET B 1 37.017 19.899 -10.328 1.00 87.80 C ATOM 728 CG MET B 1 37.006 18.772 -9.234 1.00 89.05 C ATOM 729 SD MET B 1 37.557 17.096 -9.702 1.00 91.31 S ATOM 730 CE MET B 1 36.219 16.469 -10.720 1.00 87.13 C ATOM 731 N PHE B 2 34.018 18.769 -10.249 1.00 80.49 N ATOM 732 CA PHE B 2 32.705 18.685 -9.604 1.00 79.06 C ATOM 733 C PHE B 2 32.823 18.943 -8.129 1.00 74.34 C ATOM 734 O PHE B 2 33.842 18.613 -7.511 1.00 71.89 O ATOM 735 CB PHE B 2 32.089 17.304 -9.788 1.00 81.38 C ATOM 736 CG PHE B 2 31.997 16.876 -11.210 1.00 81.82 C ATOM 737 CD1 PHE B 2 32.603 15.708 -11.639 1.00 82.10 C ATOM 738 CD2 PHE B 2 31.315 17.660 -12.130 1.00 82.72 C ATOM 739 CE1 PHE B 2 32.523 15.330 -12.959 1.00 83.34 C ATOM 740 CE2 PHE B 2 31.236 17.291 -13.454 1.00 82.79 C ATOM 741 CZ PHE B 2 31.839 16.131 -13.875 1.00 83.10 C ATOM 742 N GLU B 3 31.769 19.520 -7.566 1.00 70.01 N ATOM 743 CA GLU B 3 31.760 19.846 -6.164 1.00 69.57 C ATOM 744 C GLU B 3 30.970 18.820 -5.424 1.00 65.25 C ATOM 745 O GLU B 3 30.007 18.278 -5.941 1.00 63.69 O ATOM 746 CB GLU B 3 31.191 21.228 -5.932 1.00 71.42 C ATOM 747 CG GLU B 3 32.106 22.301 -6.485 1.00 75.77 C ATOM 748 CD GLU B 3 31.600 23.720 -6.260 1.00 77.80 C ATOM 749 OE1 GLU B 3 30.774 23.911 -5.325 1.00 80.71 O ATOM 750 OE2 GLU B 3 32.050 24.635 -7.019 1.00 81.70 O ATOM 751 N GLN B 4 31.408 18.545 -4.202 1.00 63.36 N ATOM 752 CA GLN B 4 30.787 17.538 -3.378 1.00 62.01 C ATOM 753 C GLN B 4 29.369 17.946 -2.976 1.00 62.70 C ATOM 754 O GLN B 4 29.123 19.101 -2.674 1.00 61.56 O ATOM 755 CB GLN B 4 31.621 17.275 -2.124 1.00 60.16 C ATOM 756 CG GLN B 4 31.065 16.074 -1.380 1.00 59.86 C ATOM 757 CD GLN B 4 31.800 15.727 -0.147 1.00 57.26 C ATOM 758 OE1 GLN B 4 32.439 16.581 0.484 1.00 54.85 O ATOM 759 NE2 GLN B 4 31.711 14.455 0.231 1.00 53.10 N ATOM 760 N ARG B 5 28.442 16.993 -2.997 1.00 64.56 N ATOM 761 CA ARG B 5 27.099 17.214 -2.470 1.00 66.90 C ATOM 762 C ARG B 5 26.845 16.053 -1.552 1.00 68.75 C ATOM 763 O ARG B 5 26.559 14.930 -1.995 1.00 71.38 O ATOM 764 CB ARG B 5 26.021 17.308 -3.587 1.00 67.41 C ATOM 765 CG ARG B 5 24.534 17.128 -3.141 1.00 66.49 C ATOM 766 CD ARG B 5 23.503 17.813 -4.098 1.00 68.86 C ATOM 767 NE ARG B 5 23.414 19.287 -3.931 1.00 68.84 N ATOM 768 CZ ARG B 5 22.980 20.159 -4.857 1.00 68.48 C ATOM 769 NH1 ARG B 5 22.595 19.755 -6.057 1.00 67.61 N ATOM 770 NH2 ARG B 5 22.955 21.467 -4.597 1.00 70.75 N ATOM 771 N VAL B 6 26.966 16.317 -0.262 1.00 70.19 N ATOM 772 CA VAL B 6 26.691 15.284 0.723 1.00 72.17 C ATOM 773 C VAL B 6 25.213 14.821 0.647 1.00 74.93 C ATOM 774 O VAL B 6 24.335 15.533 0.141 1.00 71.60 O ATOM 775 CB VAL B 6 27.118 15.734 2.131 1.00 69.37 C ATOM 776 CG1 VAL B 6 28.636 15.768 2.214 1.00 64.57 C ATOM 777 CG2 VAL B 6 26.527 17.111 2.460 1.00 69.58 C ATOM 778 N ASN B 7 24.981 13.599 1.124 1.00 79.23 N ATOM 779 CA ASN B 7 23.683 12.914 1.037 1.00 79.18 C ATOM 780 C ASN B 7 22.575 13.652 1.735 1.00 78.38 C ATOM 781 O ASN B 7 21.445 13.594 1.312 1.00 83.54 O ATOM 782 CB ASN B 7 23.768 11.533 1.683 1.00 83.88 C ATOM 783 CG ASN B 7 24.977 10.761 1.237 1.00 87.35 C ATOM 784 OD1 ASN B 7 26.009 10.757 1.920 1.00 90.43 O ATOM 785 ND2 ASN B 7 24.880 10.135 0.065 1.00 88.97 N ATOM 786 N SER B 8 22.892 14.287 2.849 1.00 79.27 N ATOM 787 CA SER B 8 21.976 15.189 3.515 1.00 80.59 C ATOM 788 C SER B 8 21.482 16.266 2.529 1.00 81.73 C ATOM 789 O SER B 8 20.281 16.548 2.465 1.00 85.24 O ATOM 790 CB SER B 8 22.648 15.809 4.763 1.00 83.00 C ATOM 791 OG SER B 8 23.967 16.291 4.508 1.00 83.04 O ATOM 792 N ASP B 9 22.404 16.802 1.724 1.00 81.21 N ATOM 793 CA ASP B 9 22.129 17.871 0.727 1.00 79.67 C ATOM 794 C ASP B 9 21.325 17.420 -0.535 1.00 75.62 C ATOM 795 O ASP B 9 20.818 18.263 -1.265 1.00 74.31 O ATOM 796 CB ASP B 9 23.482 18.496 0.282 1.00 85.99 C ATOM 797 CG ASP B 9 23.485 20.045 0.259 1.00 89.43 C ATOM 798 OD1 ASP B 9 22.868 20.661 1.156 1.00 95.29 O ATOM 799 OD2 ASP B 9 24.153 20.640 -0.632 1.00 89.49 O ATOM 800 N VAL B 10 21.214 16.113 -0.781 1.00 71.44 N ATOM 801 CA VAL B 10 20.504 15.560 -1.949 1.00 68.46 C ATOM 802 C VAL B 10 18.963 15.693 -1.883 1.00 72.02 C ATOM 803 O VAL B 10 18.298 15.955 -2.897 1.00 72.48 O ATOM 804 CB VAL B 10 20.845 14.112 -2.103 1.00 60.10 C ATOM 805 CG1 VAL B 10 20.203 13.542 -3.313 1.00 55.19 C ATOM 806 CG2 VAL B 10 22.338 13.989 -2.181 1.00 60.57 C ATOM 807 N LEU B 11 18.380 15.519 -0.702 1.00 72.80 N ATOM 808 CA LEU B 11 16.958 15.850 -0.525 1.00 69.31 C ATOM 809 C LEU B 11 16.853 17.099 0.341 1.00 65.55 C ATOM 810 O LEU B 11 17.169 17.011 1.504 1.00 67.36 O ATOM 811 CB LEU B 11 16.254 14.667 0.140 1.00 69.80 C ATOM 812 CG LEU B 11 16.098 13.407 -0.733 1.00 69.47 C ATOM 813 CD1 LEU B 11 16.156 11.978 -0.004 1.00 66.02 C ATOM 814 CD2 LEU B 11 14.794 13.615 -1.481 1.00 72.41 C ATOM 815 N THR B 12 16.445 18.245 -0.203 1.00 61.47 N ATOM 816 CA THR B 12 16.435 19.474 0.584 1.00 66.72 C ATOM 817 C THR B 12 15.207 20.384 0.456 1.00 68.10 C ATOM 818 O THR B 12 14.527 20.395 -0.563 1.00 72.95 O ATOM 819 CB THR B 12 17.676 20.332 0.291 1.00 67.38 C ATOM 820 OG1 THR B 12 17.509 21.044 -0.941 1.00 70.25 O ATOM 821 CG2 THR B 12 18.922 19.482 0.249 1.00 65.00 C ATOM 822 N VAL B 13 14.965 21.184 1.490 1.00 68.53 N ATOM 823 CA VAL B 13 13.751 22.006 1.574 1.00 71.08 C ATOM 824 C VAL B 13 14.064 23.535 1.733 1.00 72.99 C ATOM 825 O VAL B 13 15.170 23.934 2.121 1.00 73.13 O ATOM 826 CB VAL B 13 12.812 21.453 2.691 1.00 72.45 C ATOM 827 CG1 VAL B 13 11.465 22.100 2.653 1.00 72.15 C ATOM 828 CG2 VAL B 13 12.626 19.963 2.500 1.00 77.00 C ATOM 829 N SER B 14 13.095 24.379 1.385 1.00 71.66 N ATOM 830 CA SER B 14 13.296 25.804 1.339 1.00 70.98 C ATOM 831 C SER B 14 12.906 26.436 2.659 1.00 71.97 C ATOM 832 O SER B 14 11.736 26.471 3.041 1.00 69.55 O ATOM 833 CB SER B 14 12.477 26.419 0.215 1.00 73.77 C ATOM 834 OG SER B 14 12.391 25.511 -0.868 1.00 75.14 O ATOM 835 N THR B 15 13.931 26.957 3.325 1.00 73.52 N ATOM 836 CA THR B 15 13.823 27.615 4.605 1.00 72.07 C ATOM 837 C THR B 15 14.209 29.083 4.440 1.00 70.85 C ATOM 838 O THR B 15 14.912 29.456 3.498 1.00 67.94 O ATOM 839 CB THR B 15 14.756 26.906 5.603 1.00 74.35 C ATOM 840 OG1 THR B 15 16.065 26.769 5.033 1.00 71.96 O ATOM 841 CG2 THR B 15 14.239 25.495 5.890 1.00 76.46 C ATOM 842 N VAL B 16 13.708 29.911 5.342 1.00 71.98 N ATOM 843 CA VAL B 16 14.025 31.327 5.375 1.00 72.48 C ATOM 844 C VAL B 16 14.739 31.566 6.678 1.00 74.20 C ATOM 845 O VAL B 16 14.382 30.955 7.688 1.00 77.23 O ATOM 846 CB VAL B 16 12.747 32.179 5.324 1.00 72.94 C ATOM 847 CG1 VAL B 16 12.972 33.592 5.943 1.00 71.14 C ATOM 848 CG2 VAL B 16 12.260 32.263 3.881 1.00 71.24 C ATOM 849 N ASN B 17 15.748 32.438 6.669 1.00 75.35 N ATOM 850 CA ASN B 17 16.575 32.641 7.870 1.00 75.27 C ATOM 851 C ASN B 17 16.364 33.975 8.585 1.00 76.00 C ATOM 852 O ASN B 17 15.611 34.843 8.107 1.00 75.20 O ATOM 853 CB ASN B 17 18.062 32.369 7.568 1.00 72.95 C ATOM 854 CG ASN B 17 18.679 33.373 6.621 1.00 70.27 C ATOM 855 OD1 ASN B 17 18.374 34.564 6.651 1.00 70.60 O ATOM 856 ND2 ASN B 17 19.591 32.891 5.790 1.00 68.02 N ATOM 857 N SER B 18 17.033 34.126 9.731 1.00 77.27 N ATOM 858 CA SER B 18 16.938 35.354 10.537 1.00 79.31 C ATOM 859 C SER B 18 17.250 36.645 9.754 1.00 79.94 C ATOM 860 O SER B 18 17.095 37.736 10.299 1.00 79.47 O ATOM 861 CB SER B 18 17.779 35.264 11.842 1.00 78.90 C ATOM 862 OG SER B 18 18.997 34.544 11.685 1.00 78.40 O ATOM 863 N GLN B 19 17.668 36.523 8.489 1.00 81.35 N ATOM 864 CA GLN B 19 17.819 37.678 7.599 1.00 82.39 C ATOM 865 C GLN B 19 16.870 37.618 6.406 1.00 80.86 C ATOM 866 O GLN B 19 17.228 38.077 5.316 1.00 78.25 O ATOM 867 CB GLN B 19 19.268 37.783 7.085 1.00 86.75 C ATOM 868 CG GLN B 19 20.351 38.056 8.163 1.00 88.29 C ATOM 869 CD GLN B 19 20.944 36.781 8.788 1.00 89.80 C ATOM 870 OE1 GLN B 19 20.594 35.638 8.412 1.00 89.51 O ATOM 871 NE2 GLN B 19 21.860 36.981 9.747 1.00 88.19 N ATOM 872 N ASP B 20 15.667 37.065 6.611 1.00 82.31 N ATOM 873 CA ASP B 20 14.622 36.974 5.554 1.00 83.02 C ATOM 874 C ASP B 20 15.260 36.542 4.233 1.00 79.73 C ATOM 875 O ASP B 20 15.140 37.232 3.211 1.00 74.56 O ATOM 876 CB ASP B 20 13.875 38.329 5.328 1.00 88.35 C ATOM 877 CG ASP B 20 12.963 38.761 6.517 1.00 91.75 C ATOM 878 OD1 ASP B 20 12.198 37.892 7.024 1.00 93.56 O ATOM 879 OD2 ASP B 20 12.997 39.982 6.896 1.00 89.92 O ATOM 880 N GLN B 21 15.961 35.410 4.276 1.00 77.85 N ATOM 881 CA GLN B 21 16.746 34.922 3.132 1.00 76.86 C ATOM 882 C GLN B 21 16.508 33.435 2.885 1.00 73.93 C ATOM 883 O GLN B 21 16.634 32.614 3.797 1.00 70.45 O ATOM 884 CB GLN B 21 18.234 35.135 3.388 1.00 76.95 C ATOM 885 CG GLN B 21 19.087 35.085 2.146 1.00 75.44 C ATOM 886 CD GLN B 21 19.505 36.448 1.688 1.00 74.57 C ATOM 887 OE1 GLN B 21 18.935 37.468 2.108 1.00 73.82 O ATOM 888 NE2 GLN B 21 20.522 36.488 0.829 1.00 72.49 N ATOM 889 N VAL B 22 16.192 33.097 1.638 1.00 73.53 N ATOM 890 CA VAL B 22 15.741 31.749 1.307 1.00 73.76 C ATOM 891 C VAL B 22 16.949 30.850 1.093 1.00 72.96 C ATOM 892 O VAL B 22 17.929 31.248 0.447 1.00 69.92 O ATOM 893 CB VAL B 22 14.825 31.697 0.056 1.00 73.04 C ATOM 894 CG1 VAL B 22 14.142 30.321 -0.043 1.00 70.85 C ATOM 895 CG2 VAL B 22 13.785 32.816 0.088 1.00 73.78 C ATOM 896 N THR B 23 16.861 29.642 1.653 1.00 71.33 N ATOM 897 CA THR B 23 17.991 28.724 1.719 1.00 70.87 C ATOM 898 C THR B 23 17.470 27.301 1.849 1.00 69.96 C ATOM 899 O THR B 23 16.337 27.085 2.259 1.00 66.31 O ATOM 900 CB THR B 23 18.941 29.039 2.918 1.00 68.44 C ATOM 901 OG1 THR B 23 18.358 28.577 4.127 1.00 66.44 O ATOM 902 CG2 THR B 23 19.184 30.525 3.078 1.00 68.10 C ATOM 903 N GLN B 24 18.323 26.342 1.501 1.00 71.83 N ATOM 904 CA GLN B 24 17.932 24.941 1.350 1.00 74.10 C ATOM 905 C GLN B 24 18.483 24.111 2.493 1.00 75.26 C ATOM 906 O GLN B 24 19.667 23.775 2.468 1.00 79.31 O ATOM 907 CB GLN B 24 18.508 24.345 0.035 1.00 74.32 C ATOM 908 CG GLN B 24 17.928 24.857 -1.255 1.00 73.07 C ATOM 909 CD GLN B 24 16.442 24.646 -1.338 1.00 73.91 C ATOM 910 OE1 GLN B 24 15.670 25.582 -1.143 1.00 74.16 O ATOM 911 NE2 GLN B 24 16.023 23.408 -1.590 1.00 74.48 N ATOM 912 N LYS B 25 17.662 23.757 3.478 1.00 74.62 N ATOM 913 CA LYS B 25 18.128 22.848 4.533 1.00 75.65 C ATOM 914 C LYS B 25 17.780 21.397 4.182 1.00 70.32 C ATOM 915 O LYS B 25 16.809 21.164 3.483 1.00 71.01 O ATOM 916 CB LYS B 25 17.575 23.249 5.905 1.00 81.33 C ATOM 917 CG LYS B 25 16.165 22.695 6.281 1.00 86.68 C ATOM 918 CD LYS B 25 15.758 23.133 7.741 1.00 88.10 C ATOM 919 CE LYS B 25 14.367 22.613 8.240 1.00 88.79 C ATOM 920 NZ LYS B 25 14.193 23.018 9.696 1.00 88.64 N ATOM 921 N PRO B 26 18.583 20.422 4.650 1.00 65.35 N ATOM 922 CA PRO B 26 18.258 19.013 4.435 1.00 65.07 C ATOM 923 C PRO B 26 16.866 18.601 4.903 1.00 63.37 C ATOM 924 O PRO B 26 16.335 19.130 5.876 1.00 63.93 O ATOM 925 CB PRO B 26 19.317 18.264 5.264 1.00 62.12 C ATOM 926 CG PRO B 26 20.414 19.172 5.390 1.00 62.82 C ATOM 927 CD PRO B 26 19.854 20.570 5.375 1.00 63.75 C ATOM 928 N LEU B 27 16.301 17.619 4.221 1.00 64.89 N ATOM 929 CA LEU B 27 15.014 17.056 4.613 1.00 66.47 C ATOM 930 C LEU B 27 15.108 16.451 5.982 1.00 69.71 C ATOM 931 O LEU B 27 14.131 16.461 6.716 1.00 75.09 O ATOM 932 CB LEU B 27 14.559 15.955 3.664 1.00 63.43 C ATOM 933 CG LEU B 27 13.132 15.477 3.847 1.00 61.87 C ATOM 934 CD1 LEU B 27 12.057 16.514 3.372 1.00 59.66 C ATOM 935 CD2 LEU B 27 13.077 14.219 3.070 1.00 61.43 C ATOM 936 N ARG B 28 16.267 15.903 6.319 1.00 69.31 N ATOM 937 CA ARG B 28 16.397 15.204 7.570 1.00 71.87 C ATOM 938 C ARG B 28 16.120 16.157 8.718 1.00 71.24 C ATOM 939 O ARG B 28 15.612 15.728 9.760 1.00 71.46 O ATOM 940 CB ARG B 28 17.776 14.597 7.700 1.00 72.66 C ATOM 941 CG ARG B 28 18.831 15.583 8.134 1.00 77.48 C ATOM 942 CD ARG B 28 20.150 14.858 8.309 1.00 80.55 C ATOM 943 NE ARG B 28 20.469 14.107 7.099 1.00 82.62 N ATOM 944 CZ ARG B 28 21.142 12.968 7.068 1.00 84.89 C ATOM 945 NH1 ARG B 28 21.564 12.407 8.197 1.00 86.71 N ATOM 946 NH2 ARG B 28 21.378 12.376 5.896 1.00 85.81 N ATOM 947 N ASP B 29 16.413 17.444 8.522 1.00 68.91 N ATOM 948 CA ASP B 29 16.160 18.421 9.576 1.00 71.28 C ATOM 949 C ASP B 29 14.708 18.692 9.772 1.00 66.56 C ATOM 950 O ASP B 29 14.293 18.918 10.884 1.00 63.99 O ATOM 951 CB ASP B 29 16.931 19.715 9.359 1.00 73.75 C ATOM 952 CG ASP B 29 18.433 19.546 9.644 1.00 77.32 C ATOM 953 OD1 ASP B 29 18.843 18.492 10.209 1.00 79.05 O ATOM 954 OD2 ASP B 29 19.209 20.461 9.296 1.00 78.37 O ATOM 955 N SER B 30 13.941 18.627 8.701 1.00 68.88 N ATOM 956 CA SER B 30 12.480 18.743 8.785 1.00 75.11 C ATOM 957 C SER B 30 11.831 17.558 9.531 1.00 76.52 C ATOM 958 O SER B 30 10.837 17.717 10.258 1.00 77.02 O ATOM 959 CB SER B 30 11.876 18.895 7.377 1.00 79.07 C ATOM 960 OG SER B 30 12.406 20.063 6.733 1.00 84.55 O ATOM 961 N VAL B 31 12.396 16.369 9.342 1.00 77.18 N ATOM 962 CA VAL B 31 11.975 15.183 10.071 1.00 74.24 C ATOM 963 C VAL B 31 12.341 15.386 11.521 1.00 73.40 C ATOM 964 O VAL B 31 11.551 15.127 12.403 1.00 75.53 O ATOM 965 CB VAL B 31 12.638 13.923 9.507 1.00 72.21 C ATOM 966 CG1 VAL B 31 12.416 12.731 10.396 1.00 71.04 C ATOM 967 CG2 VAL B 31 12.073 13.639 8.150 1.00 74.24 C ATOM 968 N LYS B 32 13.529 15.899 11.768 1.00 74.28 N ATOM 969 CA LYS B 32 13.967 16.126 13.145 1.00 76.41 C ATOM 970 C LYS B 32 13.031 17.069 13.893 1.00 73.92 C ATOM 971 O LYS B 32 12.647 16.798 15.015 1.00 74.14 O ATOM 972 CB LYS B 32 15.382 16.684 13.152 1.00 79.40 C ATOM 973 CG LYS B 32 16.146 16.373 14.362 1.00 80.05 C ATOM 974 CD LYS B 32 17.611 16.705 14.147 1.00 82.27 C ATOM 975 CE LYS B 32 18.398 16.627 15.490 1.00 84.99 C ATOM 976 NZ LYS B 32 19.889 16.886 15.417 1.00 85.18 N ATOM 977 N GLN B 33 12.649 18.163 13.256 1.00 73.77 N ATOM 978 CA GLN B 33 11.763 19.128 13.879 1.00 73.51 C ATOM 979 C GLN B 33 10.326 18.638 13.997 1.00 68.80 C ATOM 980 O GLN B 33 9.671 18.935 14.964 1.00 65.34 O ATOM 981 CB GLN B 33 11.773 20.429 13.096 1.00 77.29 C ATOM 982 CG GLN B 33 11.190 21.608 13.854 1.00 80.38 C ATOM 983 CD GLN B 33 10.978 22.805 12.959 1.00 82.42 C ATOM 984 OE1 GLN B 33 11.220 23.940 13.359 1.00 88.79 O ATOM 985 NE2 GLN B 33 10.518 22.557 11.732 1.00 86.62 N ATOM 986 N ALA B 34 9.831 17.903 13.008 1.00 68.22 N ATOM 987 CA ALA B 34 8.484 17.295 13.099 1.00 66.86 C ATOM 988 C ALA B 34 8.311 16.510 14.381 1.00 63.48 C ATOM 989 O ALA B 34 7.260 16.593 15.017 1.00 61.45 O ATOM 990 CB ALA B 34 8.223 16.368 11.920 1.00 65.38 C ATOM 991 N LEU B 35 9.359 15.752 14.721 1.00 61.86 N ATOM 992 CA LEU B 35 9.391 14.821 15.847 1.00 62.77 C ATOM 993 C LEU B 35 9.602 15.525 17.185 1.00 65.68 C ATOM 994 O LEU B 35 9.034 15.133 18.208 1.00 68.70 O ATOM 995 CB LEU B 35 10.523 13.816 15.642 1.00 58.62 C ATOM 996 CG LEU B 35 10.242 12.647 14.709 1.00 58.30 C ATOM 997 CD1 LEU B 35 11.486 11.842 14.502 1.00 58.30 C ATOM 998 CD2 LEU B 35 9.157 11.757 15.267 1.00 57.79 C ATOM 999 N LYS B 36 10.465 16.531 17.172 1.00 65.70 N ATOM 1000 CA LYS B 36 10.649 17.405 18.290 1.00 66.50 C ATOM 1001 C LYS B 36 9.279 18.009 18.708 1.00 68.62 C ATOM 1002 O LYS B 36 8.800 17.845 19.835 1.00 71.57 O ATOM 1003 CB LYS B 36 11.635 18.476 17.865 1.00 66.36 C ATOM 1004 CG LYS B 36 11.996 19.397 18.960 1.00 71.22 C ATOM 1005 CD LYS B 36 12.196 20.867 18.502 1.00 72.80 C ATOM 1006 CE LYS B 36 12.321 21.811 19.748 1.00 72.65 C ATOM 1007 NZ LYS B 36 12.053 23.243 19.419 1.00 75.18 N ATOM 1008 N ASN B 37 8.659 18.704 17.774 1.00 69.13 N ATOM 1009 CA ASN B 37 7.304 19.208 17.900 1.00 69.97 C ATOM 1010 C ASN B 37 6.337 18.150 18.434 1.00 70.17 C ATOM 1011 O ASN B 37 5.429 18.420 19.219 1.00 73.11 O ATOM 1012 CB ASN B 37 6.846 19.580 16.491 1.00 73.31 C ATOM 1013 CG ASN B 37 5.876 20.711 16.449 1.00 74.85 C ATOM 1014 OD1 ASN B 37 5.336 21.154 17.470 1.00 76.79 O ATOM 1015 ND2 ASN B 37 5.640 21.202 15.229 1.00 75.65 N ATOM 1016 N TYR B 38 6.508 16.942 17.951 1.00 68.43 N ATOM 1017 CA TYR B 38 5.574 15.896 18.240 1.00 70.64 C ATOM 1018 C TYR B 38 5.673 15.487 19.680 1.00 71.64 C ATOM 1019 O TYR B 38 4.663 15.336 20.332 1.00 76.45 O ATOM 1020 CB TYR B 38 5.857 14.712 17.341 1.00 72.51 C ATOM 1021 CG TYR B 38 5.085 13.487 17.689 1.00 72.35 C ATOM 1022 CD1 TYR B 38 5.725 12.370 18.175 1.00 73.17 C ATOM 1023 CD2 TYR B 38 3.716 13.441 17.530 1.00 72.58 C ATOM 1024 CE1 TYR B 38 5.026 11.229 18.476 1.00 73.72 C ATOM 1025 CE2 TYR B 38 3.003 12.313 17.845 1.00 73.21 C ATOM 1026 CZ TYR B 38 3.663 11.205 18.311 1.00 73.89 C ATOM 1027 OH TYR B 38 2.960 10.066 18.633 1.00 75.66 O ATOM 1028 N PHE B 39 6.893 15.304 20.171 1.00 72.54 N ATOM 1029 CA PHE B 39 7.125 14.955 21.569 1.00 70.48 C ATOM 1030 C PHE B 39 6.645 16.032 22.517 1.00 69.99 C ATOM 1031 O PHE B 39 5.888 15.742 23.430 1.00 67.60 O ATOM 1032 CB PHE B 39 8.602 14.716 21.807 1.00 69.75 C ATOM 1033 CG PHE B 39 9.128 13.520 21.115 1.00 68.40 C ATOM 1034 CD1 PHE B 39 8.422 12.332 21.118 1.00 71.41 C ATOM 1035 CD2 PHE B 39 10.336 13.559 20.486 1.00 69.07 C ATOM 1036 CE1 PHE B 39 8.915 11.193 20.477 1.00 72.05 C ATOM 1037 CE2 PHE B 39 10.839 12.433 19.845 1.00 71.47 C ATOM 1038 CZ PHE B 39 10.122 11.247 19.836 1.00 71.72 C ATOM 1039 N ALA B 40 7.075 17.274 22.292 1.00 72.56 N ATOM 1040 CA ALA B 40 6.594 18.427 23.078 1.00 76.36 C ATOM 1041 C ALA B 40 5.080 18.406 23.327 1.00 79.43 C ATOM 1042 O ALA B 40 4.618 18.622 24.444 1.00 79.10 O ATOM 1043 CB ALA B 40 6.970 19.713 22.392 1.00 73.43 C ATOM 1044 N GLN B 41 4.321 18.124 22.275 1.00 85.53 N ATOM 1045 CA GLN B 41 2.859 18.133 22.332 1.00 89.27 C ATOM 1046 C GLN B 41 2.239 16.812 22.807 1.00 91.08 C ATOM 1047 O GLN B 41 1.020 16.686 22.846 1.00 93.05 O ATOM 1048 CB GLN B 41 2.273 18.557 20.961 1.00 94.16 C ATOM 1049 CG GLN B 41 1.632 19.976 20.949 1.00 99.23 C ATOM 1050 CD GLN B 41 2.605 21.137 21.292 1.00103.04 C ATOM 1051 OE1 GLN B 41 3.074 21.277 22.435 1.00105.31 O ATOM 1052 NE2 GLN B 41 2.869 21.991 20.303 1.00104.59 N ATOM 1053 N LEU B 42 3.068 15.854 23.207 1.00 91.66 N ATOM 1054 CA LEU B 42 2.604 14.525 23.587 1.00 92.51 C ATOM 1055 C LEU B 42 2.185 14.473 25.065 1.00 95.47 C ATOM 1056 O LEU B 42 1.181 13.838 25.439 1.00 96.04 O ATOM 1057 CB LEU B 42 3.742 13.558 23.334 1.00 91.51 C ATOM 1058 CG LEU B 42 3.444 12.086 23.431 1.00 92.43 C ATOM 1059 CD1 LEU B 42 2.376 11.717 22.411 1.00 94.78 C ATOM 1060 CD2 LEU B 42 4.749 11.334 23.207 1.00 92.60 C ATOM 1061 N ASN B 43 2.983 15.139 25.900 1.00 97.12 N ATOM 1062 CA ASN B 43 2.735 15.252 27.334 1.00 98.32 C ATOM 1063 C ASN B 43 2.518 13.916 28.030 1.00 99.72 C ATOM 1064 O ASN B 43 1.472 13.670 28.622 1.00100.25 O ATOM 1065 CB ASN B 43 1.569 16.205 27.590 1.00 99.09 C ATOM 1066 CG ASN B 43 1.857 17.602 27.099 1.00 99.39 C ATOM 1067 OD1 ASN B 43 2.373 17.789 25.996 1.00 99.78 O ATOM 1068 ND2 ASN B 43 1.534 18.593 27.916 1.00 99.48 N ATOM 1069 N GLY B 44 3.520 13.049 27.931 1.00101.08 N ATOM 1070 CA GLY B 44 3.577 11.828 28.727 1.00102.29 C ATOM 1071 C GLY B 44 2.563 10.753 28.381 1.00104.07 C ATOM 1072 O GLY B 44 2.334 9.842 29.185 1.00105.04 O ATOM 1073 N GLN B 45 1.946 10.851 27.204 1.00104.55 N ATOM 1074 CA GLN B 45 1.059 9.793 26.729 1.00103.82 C ATOM 1075 C GLN B 45 1.941 8.673 26.164 1.00101.93 C ATOM 1076 O GLN B 45 2.994 8.947 25.583 1.00100.82 O ATOM 1077 CB GLN B 45 0.061 10.343 25.687 1.00105.66 C ATOM 1078 CG GLN B 45 -0.919 9.306 25.096 1.00107.11 C ATOM 1079 CD GLN B 45 -1.668 8.490 26.159 1.00109.56 C ATOM 1080 OE1 GLN B 45 -1.875 7.281 25.997 1.00110.70 O ATOM 1081 NE2 GLN B 45 -2.074 9.148 27.249 1.00109.84 N ATOM 1082 N ASP B 46 1.546 7.418 26.363 1.00 99.95 N ATOM 1083 CA ASP B 46 2.334 6.320 25.823 1.00100.26 C ATOM 1084 C ASP B 46 2.117 6.243 24.287 1.00 99.98 C ATOM 1085 O ASP B 46 1.029 6.556 23.780 1.00 99.86 O ATOM 1086 CB ASP B 46 2.124 4.982 26.607 1.00101.17 C ATOM 1087 CG ASP B 46 1.136 4.016 25.943 1.00101.61 C ATOM 1088 OD1 ASP B 46 -0.075 4.143 26.217 1.00103.05 O ATOM 1089 OD2 ASP B 46 1.574 3.096 25.198 1.00100.22 O ATOM 1090 N VAL B 47 3.200 5.877 23.588 1.00 97.37 N ATOM 1091 CA VAL B 47 3.301 5.762 22.138 1.00 93.87 C ATOM 1092 C VAL B 47 3.680 4.319 21.823 1.00 94.22 C ATOM 1093 O VAL B 47 4.459 3.723 22.567 1.00 96.46 O ATOM 1094 CB VAL B 47 4.457 6.642 21.653 1.00 90.97 C ATOM 1095 CG1 VAL B 47 4.513 6.690 20.141 1.00 91.09 C ATOM 1096 CG2 VAL B 47 4.337 8.027 22.249 1.00 88.29 C ATOM 1097 N ASN B 48 3.169 3.748 20.736 1.00 94.43 N ATOM 1098 CA ASN B 48 3.560 2.365 20.371 1.00 93.36 C ATOM 1099 C ASN B 48 3.673 2.091 18.848 1.00 90.53 C ATOM 1100 O ASN B 48 3.693 0.940 18.414 1.00 90.48 O ATOM 1101 CB ASN B 48 2.606 1.364 21.054 1.00 94.88 C ATOM 1102 CG ASN B 48 1.156 1.600 20.679 1.00 96.95 C ATOM 1103 OD1 ASN B 48 0.768 2.719 20.312 1.00 97.67 O ATOM 1104 ND2 ASN B 48 0.353 0.543 20.740 1.00 99.26 N ATOM 1105 N ASP B 49 3.794 3.145 18.052 1.00 86.13 N ATOM 1106 CA ASP B 49 3.663 3.023 16.607 1.00 85.79 C ATOM 1107 C ASP B 49 4.402 4.148 15.860 1.00 82.37 C ATOM 1108 O ASP B 49 4.008 4.521 14.763 1.00 83.21 O ATOM 1109 CB ASP B 49 2.178 3.093 16.263 1.00 90.18 C ATOM 1110 CG ASP B 49 1.529 4.406 16.760 1.00 96.25 C ATOM 1111 OD1 ASP B 49 1.308 4.544 18.002 1.00 98.49 O ATOM 1112 OD2 ASP B 49 1.264 5.309 15.915 1.00 97.98 O ATOM 1113 N LEU B 50 5.476 4.674 16.438 1.00 75.96 N ATOM 1114 CA LEU B 50 6.125 5.854 15.905 1.00 73.11 C ATOM 1115 C LEU B 50 6.865 5.556 14.607 1.00 72.48 C ATOM 1116 O LEU B 50 7.082 6.444 13.777 1.00 72.24 O ATOM 1117 CB LEU B 50 7.089 6.410 16.943 1.00 70.94 C ATOM 1118 CG LEU B 50 7.737 7.759 16.656 1.00 70.99 C ATOM 1119 CD1 LEU B 50 6.722 8.849 16.678 1.00 69.60 C ATOM 1120 CD2 LEU B 50 8.819 8.047 17.660 1.00 70.49 C ATOM 1121 N TYR B 51 7.290 4.314 14.426 1.00 74.01 N ATOM 1122 CA TYR B 51 8.004 3.957 13.210 1.00 74.07 C ATOM 1123 C TYR B 51 7.002 3.873 12.088 1.00 76.12 C ATOM 1124 O TYR B 51 7.212 4.439 11.033 1.00 80.44 O ATOM 1125 CB TYR B 51 8.739 2.643 13.356 1.00 72.87 C ATOM 1126 CG TYR B 51 9.542 2.304 12.134 1.00 74.16 C ATOM 1127 CD1 TYR B 51 10.859 2.721 11.987 1.00 76.05 C ATOM 1128 CD2 TYR B 51 8.985 1.593 11.106 1.00 76.04 C ATOM 1129 CE1 TYR B 51 11.599 2.401 10.844 1.00 74.32 C ATOM 1130 CE2 TYR B 51 9.703 1.278 9.978 1.00 75.56 C ATOM 1131 CZ TYR B 51 11.003 1.674 9.842 1.00 74.86 C ATOM 1132 OH TYR B 51 11.667 1.327 8.675 1.00 74.91 O ATOM 1133 N GLU B 52 5.894 3.188 12.340 1.00 79.03 N ATOM 1134 CA GLU B 52 4.849 3.023 11.357 1.00 78.10 C ATOM 1135 C GLU B 52 4.154 4.339 11.042 1.00 77.43 C ATOM 1136 O GLU B 52 3.634 4.522 9.959 1.00 77.75 O ATOM 1137 CB GLU B 52 3.838 1.990 11.831 1.00 81.82 C ATOM 1138 CG GLU B 52 2.809 1.604 10.763 1.00 86.62 C ATOM 1139 CD GLU B 52 3.439 1.098 9.441 1.00 91.77 C ATOM 1140 OE1 GLU B 52 3.130 1.638 8.331 1.00 90.91 O ATOM 1141 OE2 GLU B 52 4.248 0.146 9.525 1.00 97.57 O ATOM 1142 N LEU B 53 4.173 5.266 11.981 1.00 78.20 N ATOM 1143 CA LEU B 53 3.639 6.607 11.753 1.00 77.59 C ATOM 1144 C LEU B 53 4.498 7.426 10.811 1.00 77.53 C ATOM 1145 O LEU B 53 3.950 8.002 9.870 1.00 82.97 O ATOM 1146 CB LEU B 53 3.552 7.375 13.056 1.00 79.77 C ATOM 1147 CG LEU B 53 2.343 8.274 13.124 1.00 82.80 C ATOM 1148 CD1 LEU B 53 1.206 7.480 13.803 1.00 83.85 C ATOM 1149 CD2 LEU B 53 2.698 9.529 13.883 1.00 83.61 C ATOM 1150 N VAL B 54 5.813 7.498 11.093 1.00 73.38 N ATOM 1151 CA VAL B 54 6.802 8.242 10.285 1.00 70.32 C ATOM 1152 C VAL B 54 6.905 7.620 8.921 1.00 70.48 C ATOM 1153 O VAL B 54 6.927 8.318 7.929 1.00 72.65 O ATOM 1154 CB VAL B 54 8.244 8.210 10.887 1.00 69.19 C ATOM 1155 CG1 VAL B 54 9.338 8.263 9.778 1.00 66.42 C ATOM 1156 CG2 VAL B 54 8.461 9.328 11.841 1.00 65.82 C ATOM 1157 N LEU B 55 6.967 6.299 8.860 1.00 72.33 N ATOM 1158 CA LEU B 55 7.029 5.595 7.566 1.00 72.43 C ATOM 1159 C LEU B 55 5.833 5.934 6.673 1.00 71.58 C ATOM 1160 O LEU B 55 5.999 6.322 5.522 1.00 71.78 O ATOM 1161 CB LEU B 55 7.099 4.079 7.786 1.00 74.71 C ATOM 1162 CG LEU B 55 7.526 3.204 6.610 1.00 74.92 C ATOM 1163 CD1 LEU B 55 8.939 3.566 6.142 1.00 75.94 C ATOM 1164 CD2 LEU B 55 7.412 1.732 6.994 1.00 74.45 C ATOM 1165 N ALA B 56 4.626 5.820 7.205 1.00 69.41 N ATOM 1166 CA ALA B 56 3.463 6.201 6.437 1.00 68.98 C ATOM 1167 C ALA B 56 3.544 7.642 5.969 1.00 69.07 C ATOM 1168 O ALA B 56 3.173 7.938 4.847 1.00 73.49 O ATOM 1169 CB ALA B 56 2.229 6.003 7.227 1.00 68.91 C ATOM 1170 N GLU B 57 4.009 8.558 6.803 1.00 70.09 N ATOM 1171 CA GLU B 57 3.997 9.968 6.392 1.00 71.56 C ATOM 1172 C GLU B 57 4.988 10.226 5.264 1.00 71.29 C ATOM 1173 O GLU B 57 4.859 11.192 4.541 1.00 70.19 O ATOM 1174 CB GLU B 57 4.290 10.902 7.572 1.00 75.20 C ATOM 1175 CG GLU B 57 3.999 12.415 7.294 1.00 77.13 C ATOM 1176 CD GLU B 57 2.531 12.849 7.554 1.00 82.69 C ATOM 1177 OE1 GLU B 57 1.682 11.951 7.816 1.00 85.01 O ATOM 1178 OE2 GLU B 57 2.236 14.089 7.513 1.00 81.58 O ATOM 1179 N VAL B 58 5.959 9.335 5.125 1.00 72.18 N ATOM 1180 CA VAL B 58 7.056 9.458 4.169 1.00 71.32 C ATOM 1181 C VAL B 58 6.849 8.647 2.883 1.00 68.45 C ATOM 1182 O VAL B 58 6.965 9.184 1.800 1.00 68.40 O ATOM 1183 CB VAL B 58 8.373 9.020 4.855 1.00 74.11 C ATOM 1184 CG1 VAL B 58 9.362 8.386 3.873 1.00 72.01 C ATOM 1185 CG2 VAL B 58 8.958 10.209 5.596 1.00 75.53 C ATOM 1186 N GLU B 59 6.568 7.361 2.994 1.00 65.57 N ATOM 1187 CA GLU B 59 6.200 6.565 1.824 1.00 65.78 C ATOM 1188 C GLU B 59 5.044 7.132 0.958 1.00 63.80 C ATOM 1189 O GLU B 59 5.104 7.072 -0.263 1.00 58.96 O ATOM 1190 CB GLU B 59 5.779 5.177 2.272 1.00 63.68 C ATOM 1191 CG GLU B 59 6.889 4.253 2.488 1.00 64.80 C ATOM 1192 CD GLU B 59 6.394 2.857 2.818 1.00 68.52 C ATOM 1193 OE1 GLU B 59 7.220 1.896 2.881 1.00 68.77 O ATOM 1194 OE2 GLU B 59 5.157 2.726 3.021 1.00 73.58 O ATOM 1195 N GLN B 60 3.981 7.617 1.593 1.00 63.06 N ATOM 1196 CA GLN B 60 2.832 8.059 0.877 1.00 67.91 C ATOM 1197 C GLN B 60 3.252 9.031 -0.215 1.00 68.26 C ATOM 1198 O GLN B 60 3.009 8.758 -1.372 1.00 71.81 O ATOM 1199 CB GLN B 60 1.805 8.677 1.800 1.00 73.89 C ATOM 1200 CG GLN B 60 0.411 8.096 1.604 1.00 82.18 C ATOM 1201 CD GLN B 60 -0.620 8.606 2.645 1.00 85.27 C ATOM 1202 OE1 GLN B 60 -0.621 8.169 3.819 1.00 90.30 O ATOM 1203 NE2 GLN B 60 -1.498 9.532 2.213 1.00 89.40 N ATOM 1204 N PRO B 61 3.931 10.149 0.117 1.00 69.78 N ATOM 1205 CA PRO B 61 4.435 11.098 -0.930 1.00 67.83 C ATOM 1206 C PRO B 61 5.612 10.634 -1.812 1.00 69.63 C ATOM 1207 O PRO B 61 5.750 11.129 -2.914 1.00 75.31 O ATOM 1208 CB PRO B 61 4.907 12.312 -0.145 1.00 67.26 C ATOM 1209 CG PRO B 61 4.711 12.019 1.238 1.00 69.30 C ATOM 1210 CD PRO B 61 4.286 10.603 1.462 1.00 69.97 C ATOM 1211 N LEU B 62 6.481 9.750 -1.324 1.00 66.42 N ATOM 1212 CA LEU B 62 7.477 9.125 -2.170 1.00 62.52 C ATOM 1213 C LEU B 62 6.727 8.405 -3.267 1.00 63.40 C ATOM 1214 O LEU B 62 7.068 8.524 -4.411 1.00 68.35 O ATOM 1215 CB LEU B 62 8.324 8.141 -1.367 1.00 61.23 C ATOM 1216 CG LEU B 62 9.406 7.362 -2.103 1.00 61.15 C ATOM 1217 CD1 LEU B 62 10.295 8.373 -2.847 1.00 61.36 C ATOM 1218 CD2 LEU B 62 10.195 6.468 -1.170 1.00 53.61 C ATOM 1219 N LEU B 63 5.674 7.677 -2.936 1.00 64.43 N ATOM 1220 CA LEU B 63 4.930 6.965 -3.977 1.00 65.98 C ATOM 1221 C LEU B 63 4.210 7.932 -4.926 1.00 68.34 C ATOM 1222 O LEU B 63 4.306 7.822 -6.142 1.00 69.32 O ATOM 1223 CB LEU B 63 3.918 5.989 -3.368 1.00 61.85 C ATOM 1224 CG LEU B 63 4.500 4.839 -2.570 1.00 60.87 C ATOM 1225 CD1 LEU B 63 3.391 4.065 -1.866 1.00 59.24 C ATOM 1226 CD2 LEU B 63 5.269 3.980 -3.518 1.00 59.21 C ATOM 1227 N ASP B 64 3.470 8.860 -4.340 1.00 71.59 N ATOM 1228 CA ASP B 64 2.622 9.803 -5.058 1.00 70.33 C ATOM 1229 C ASP B 64 3.474 10.518 -6.095 1.00 70.07 C ATOM 1230 O ASP B 64 3.124 10.580 -7.284 1.00 73.11 O ATOM 1231 CB ASP B 64 2.053 10.747 -4.012 1.00 73.19 C ATOM 1232 CG ASP B 64 1.137 11.779 -4.568 1.00 79.80 C ATOM 1233 OD1 ASP B 64 1.314 12.239 -5.729 1.00 83.67 O ATOM 1234 OD2 ASP B 64 0.232 12.168 -3.786 1.00 85.09 O ATOM 1235 N MET B 65 4.633 10.980 -5.657 1.00 66.20 N ATOM 1236 CA MET B 65 5.582 11.632 -6.536 1.00 68.75 C ATOM 1237 C MET B 65 6.256 10.730 -7.625 1.00 68.94 C ATOM 1238 O MET B 65 6.333 11.110 -8.774 1.00 70.05 O ATOM 1239 CB MET B 65 6.656 12.265 -5.689 1.00 71.10 C ATOM 1240 CG MET B 65 7.211 13.468 -6.260 1.00 75.34 C ATOM 1241 SD MET B 65 6.101 14.768 -5.856 1.00 79.77 S ATOM 1242 CE MET B 65 5.059 14.848 -7.319 1.00 86.36 C ATOM 1243 N VAL B 66 6.752 9.554 -7.275 1.00 67.96 N ATOM 1244 CA VAL B 66 7.318 8.647 -8.275 1.00 67.27 C ATOM 1245 C VAL B 66 6.327 8.172 -9.392 1.00 69.94 C ATOM 1246 O VAL B 66 6.713 8.003 -10.547 1.00 70.29 O ATOM 1247 CB VAL B 66 7.974 7.467 -7.589 1.00 61.77 C ATOM 1248 CG1 VAL B 66 8.122 6.351 -8.548 1.00 59.88 C ATOM 1249 CG2 VAL B 66 9.320 7.910 -7.032 1.00 57.88 C ATOM 1250 N MET B 67 5.058 7.979 -9.062 1.00 73.66 N ATOM 1251 CA MET B 67 4.080 7.571 -10.056 1.00 73.21 C ATOM 1252 C MET B 67 3.683 8.725 -10.889 1.00 71.20 C ATOM 1253 O MET B 67 3.271 8.518 -12.008 1.00 76.50 O ATOM 1254 CB MET B 67 2.794 7.060 -9.424 1.00 80.07 C ATOM 1255 CG MET B 67 2.933 5.820 -8.567 1.00 83.50 C ATOM 1256 SD MET B 67 3.661 4.439 -9.430 1.00 85.34 S ATOM 1257 CE MET B 67 2.426 4.068 -10.668 1.00 85.63 C ATOM 1258 N GLN B 68 3.707 9.937 -10.363 1.00 67.06 N ATOM 1259 CA GLN B 68 3.541 11.069 -11.291 1.00 71.81 C ATOM 1260 C GLN B 68 4.666 11.080 -12.334 1.00 71.62 C ATOM 1261 O GLN B 68 4.401 11.205 -13.518 1.00 73.93 O ATOM 1262 CB GLN B 68 3.454 12.436 -10.588 1.00 73.86 C ATOM 1263 CG GLN B 68 2.026 12.807 -10.098 1.00 73.10 C ATOM 1264 CD GLN B 68 1.984 14.089 -9.315 1.00 70.09 C ATOM 1265 OE1 GLN B 68 1.737 14.054 -8.101 1.00 67.21 O ATOM 1266 NE2 GLN B 68 2.241 15.230 -9.987 1.00 65.08 N ATOM 1267 N TYR B 69 5.905 10.914 -11.872 1.00 74.18 N ATOM 1268 CA TYR B 69 7.108 10.843 -12.720 1.00 70.80 C ATOM 1269 C TYR B 69 7.093 9.775 -13.781 1.00 66.88 C ATOM 1270 O TYR B 69 7.575 10.006 -14.858 1.00 70.31 O ATOM 1271 CB TYR B 69 8.333 10.577 -11.875 1.00 75.09 C ATOM 1272 CG TYR B 69 9.649 10.766 -12.577 1.00 76.47 C ATOM 1273 CD1 TYR B 69 10.128 12.053 -12.846 1.00 78.36 C ATOM 1274 CD2 TYR B 69 10.442 9.682 -12.937 1.00 78.20 C ATOM 1275 CE1 TYR B 69 11.368 12.280 -13.459 1.00 75.48 C ATOM 1276 CE2 TYR B 69 11.691 9.891 -13.563 1.00 78.24 C ATOM 1277 CZ TYR B 69 12.141 11.212 -13.803 1.00 77.06 C ATOM 1278 OH TYR B 69 13.350 11.484 -14.397 1.00 78.85 O ATOM 1279 N THR B 70 6.570 8.606 -13.504 1.00 60.01 N ATOM 1280 CA THR B 70 6.610 7.583 -14.522 1.00 63.11 C ATOM 1281 C THR B 70 5.265 7.467 -15.236 1.00 65.42 C ATOM 1282 O THR B 70 4.876 6.421 -15.768 1.00 58.30 O ATOM 1283 CB THR B 70 7.072 6.371 -13.895 1.00 61.56 C ATOM 1284 OG1 THR B 70 6.087 5.915 -12.952 1.00 61.29 O ATOM 1285 CG2 THR B 70 8.360 6.757 -13.190 1.00 60.30 C ATOM 1286 N ARG B 71 4.594 8.618 -15.264 1.00 70.30 N ATOM 1287 CA ARG B 71 3.282 8.789 -15.825 1.00 68.50 C ATOM 1288 C ARG B 71 2.488 7.555 -15.561 1.00 65.59 C ATOM 1289 O ARG B 71 2.043 6.933 -16.489 1.00 69.09 O ATOM 1290 CB ARG B 71 3.419 9.117 -17.297 1.00 69.87 C ATOM 1291 CG ARG B 71 3.852 10.578 -17.495 1.00 75.33 C ATOM 1292 CD ARG B 71 4.687 10.825 -18.779 1.00 79.49 C ATOM 1293 NE ARG B 71 6.124 10.606 -18.536 1.00 83.89 N ATOM 1294 CZ ARG B 71 6.876 9.577 -18.982 1.00 86.44 C ATOM 1295 NH1 ARG B 71 6.376 8.614 -19.776 1.00 87.44 N ATOM 1296 NH2 ARG B 71 8.177 9.518 -18.648 1.00 84.96 N ATOM 1297 N GLY B 72 2.349 7.209 -14.279 1.00 62.90 N ATOM 1298 CA GLY B 72 1.632 6.012 -13.828 1.00 63.55 C ATOM 1299 C GLY B 72 2.262 4.618 -13.996 1.00 62.75 C ATOM 1300 O GLY B 72 1.646 3.628 -13.641 1.00 64.69 O ATOM 1301 N ASN B 73 3.478 4.514 -14.517 1.00 61.61 N ATOM 1302 CA ASN B 73 4.048 3.204 -14.865 1.00 62.37 C ATOM 1303 C ASN B 73 4.593 2.495 -13.657 1.00 60.20 C ATOM 1304 O ASN B 73 5.498 2.993 -13.017 1.00 64.13 O ATOM 1305 CB ASN B 73 5.167 3.395 -15.909 1.00 62.70 C ATOM 1306 CG ASN B 73 5.722 2.084 -16.451 1.00 61.84 C ATOM 1307 OD1 ASN B 73 5.737 1.068 -15.756 1.00 65.56 O ATOM 1308 ND2 ASN B 73 6.182 2.106 -17.694 1.00 59.47 N ATOM 1309 N GLN B 74 4.080 1.319 -13.356 1.00 63.52 N ATOM 1310 CA GLN B 74 4.492 0.609 -12.137 1.00 68.09 C ATOM 1311 C GLN B 74 5.853 -0.052 -12.251 1.00 73.14 C ATOM 1312 O GLN B 74 6.557 -0.169 -11.248 1.00 78.29 O ATOM 1313 CB GLN B 74 3.478 -0.460 -11.745 1.00 67.58 C ATOM 1314 CG GLN B 74 2.135 0.109 -11.410 1.00 68.56 C ATOM 1315 CD GLN B 74 1.213 -0.902 -10.845 1.00 68.63 C ATOM 1316 OE1 GLN B 74 1.383 -2.089 -11.039 1.00 72.51 O ATOM 1317 NE2 GLN B 74 0.227 -0.440 -10.119 1.00 71.55 N ATOM 1318 N THR B 75 6.203 -0.505 -13.456 1.00 74.10 N ATOM 1319 CA THR B 75 7.459 -1.216 -13.702 1.00 73.42 C ATOM 1320 C THR B 75 8.684 -0.293 -13.474 1.00 73.16 C ATOM 1321 O THR B 75 9.545 -0.629 -12.694 1.00 76.69 O ATOM 1322 CB THR B 75 7.431 -1.881 -15.122 1.00 73.68 C ATOM 1323 OG1 THR B 75 6.365 -2.838 -15.166 1.00 75.04 O ATOM 1324 CG2 THR B 75 8.741 -2.590 -15.483 1.00 73.22 C ATOM 1325 N ARG B 76 8.751 0.862 -14.121 1.00 73.56 N ATOM 1326 CA ARG B 76 9.890 1.784 -13.973 1.00 75.66 C ATOM 1327 C ARG B 76 9.944 2.324 -12.560 1.00 68.08 C ATOM 1328 O ARG B 76 11.008 2.505 -11.988 1.00 60.62 O ATOM 1329 CB ARG B 76 9.758 3.001 -14.917 1.00 80.75 C ATOM 1330 CG ARG B 76 9.693 2.709 -16.437 1.00 86.51 C ATOM 1331 CD ARG B 76 10.474 3.764 -17.264 1.00 90.60 C ATOM 1332 NE ARG B 76 9.874 5.101 -17.168 1.00 95.13 N ATOM 1333 CZ ARG B 76 10.545 6.252 -16.965 1.00 99.50 C ATOM 1334 NH1 ARG B 76 11.879 6.268 -16.799 1.00100.22 N ATOM 1335 NH2 ARG B 76 9.878 7.422 -16.912 1.00100.61 N ATOM 1336 N ALA B 77 8.776 2.621 -12.015 1.00 64.05 N ATOM 1337 CA ALA B 77 8.714 3.174 -10.696 1.00 61.22 C ATOM 1338 C ALA B 77 9.374 2.195 -9.737 1.00 58.67 C ATOM 1339 O ALA B 77 10.178 2.581 -8.934 1.00 56.32 O ATOM 1340 CB ALA B 77 7.288 3.461 -10.309 1.00 59.45 C ATOM 1341 N ALA B 78 9.075 0.910 -9.834 1.00 61.96 N ATOM 1342 CA ALA B 78 9.714 -0.063 -8.915 1.00 64.66 C ATOM 1343 C ALA B 78 11.217 -0.219 -9.183 1.00 66.74 C ATOM 1344 O ALA B 78 11.990 -0.451 -8.251 1.00 66.01 O ATOM 1345 CB ALA B 78 9.010 -1.417 -8.929 1.00 57.55 C ATOM 1346 N LEU B 79 11.616 -0.089 -10.451 1.00 70.27 N ATOM 1347 CA LEU B 79 13.024 -0.156 -10.828 1.00 70.93 C ATOM 1348 C LEU B 79 13.719 1.044 -10.233 1.00 75.20 C ATOM 1349 O LEU B 79 14.851 0.926 -9.764 1.00 81.09 O ATOM 1350 CB LEU B 79 13.248 -0.115 -12.351 1.00 70.94 C ATOM 1351 CG LEU B 79 12.953 -1.355 -13.169 1.00 70.34 C ATOM 1352 CD1 LEU B 79 13.355 -1.131 -14.631 1.00 69.42 C ATOM 1353 CD2 LEU B 79 13.664 -2.527 -12.563 1.00 71.16 C ATOM 1354 N MET B 80 13.068 2.204 -10.279 1.00 71.47 N ATOM 1355 CA MET B 80 13.733 3.402 -9.853 1.00 69.93 C ATOM 1356 C MET B 80 13.628 3.602 -8.360 1.00 66.37 C ATOM 1357 O MET B 80 14.416 4.295 -7.805 1.00 70.62 O ATOM 1358 CB MET B 80 13.265 4.620 -10.649 1.00 71.98 C ATOM 1359 CG MET B 80 11.979 5.319 -10.239 1.00 74.14 C ATOM 1360 SD MET B 80 11.822 6.878 -11.172 1.00 78.20 S ATOM 1361 CE MET B 80 12.630 8.063 -10.018 1.00 78.14 C ATOM 1362 N MET B 81 12.706 2.975 -7.671 1.00 65.50 N ATOM 1363 CA MET B 81 12.787 3.047 -6.246 1.00 66.42 C ATOM 1364 C MET B 81 13.725 1.971 -5.734 1.00 70.05 C ATOM 1365 O MET B 81 14.234 2.075 -4.630 1.00 81.36 O ATOM 1366 CB MET B 81 11.440 2.863 -5.640 1.00 65.94 C ATOM 1367 CG MET B 81 10.542 4.027 -5.773 1.00 66.55 C ATOM 1368 SD MET B 81 8.921 3.340 -5.389 1.00 72.52 S ATOM 1369 CE MET B 81 8.880 3.393 -3.588 1.00 69.93 C ATOM 1370 N GLY B 82 13.964 0.923 -6.504 1.00 69.02 N ATOM 1371 CA GLY B 82 14.887 -0.121 -6.065 1.00 67.42 C ATOM 1372 C GLY B 82 14.221 -1.312 -5.409 1.00 68.42 C ATOM 1373 O GLY B 82 14.904 -2.235 -4.984 1.00 73.88 O ATOM 1374 N ILE B 83 12.886 -1.312 -5.376 1.00 68.01 N ATOM 1375 CA ILE B 83 12.062 -2.377 -4.768 1.00 64.59 C ATOM 1376 C ILE B 83 11.364 -3.259 -5.833 1.00 57.78 C ATOM 1377 O ILE B 83 11.008 -2.751 -6.889 1.00 50.34 O ATOM 1378 CB ILE B 83 10.970 -1.723 -3.813 1.00 65.12 C ATOM 1379 CG1 ILE B 83 9.844 -1.028 -4.587 1.00 64.70 C ATOM 1380 CG2 ILE B 83 11.584 -0.650 -2.910 1.00 63.23 C ATOM 1381 CD1 ILE B 83 9.002 -0.134 -3.688 1.00 66.10 C ATOM 1382 N ASN B 84 11.183 -4.546 -5.534 1.00 57.50 N ATOM 1383 CA ASN B 84 10.285 -5.482 -6.274 1.00 63.15 C ATOM 1384 C ASN B 84 8.956 -4.867 -6.701 1.00 63.82 C ATOM 1385 O ASN B 84 8.323 -4.157 -5.931 1.00 65.43 O ATOM 1386 CB ASN B 84 9.945 -6.707 -5.391 1.00 68.96 C ATOM 1387 CG ASN B 84 9.413 -7.944 -6.184 1.00 70.34 C ATOM 1388 OD1 ASN B 84 8.194 -8.402 -5.835 1.00 72.75 O ATOM 1389 ND2 ASN B 84 10.118 -8.513 -7.032 1.00 73.09 N ATOM 1390 N ARG B 85 8.528 -5.145 -7.933 1.00 65.27 N ATOM 1391 CA ARG B 85 7.255 -4.613 -8.438 1.00 63.82 C ATOM 1392 C ARG B 85 6.027 -5.112 -7.631 1.00 63.77 C ATOM 1393 O ARG B 85 4.938 -4.543 -7.678 1.00 61.16 O ATOM 1394 CB ARG B 85 7.130 -4.990 -9.912 1.00 65.16 C ATOM 1395 CG ARG B 85 5.800 -4.551 -10.584 1.00 66.94 C ATOM 1396 CD ARG B 85 5.785 -4.800 -12.132 1.00 66.84 C ATOM 1397 NE ARG B 85 6.176 -6.160 -12.525 1.00 63.59 N ATOM 1398 CZ ARG B 85 5.340 -7.186 -12.664 1.00 65.75 C ATOM 1399 NH1 ARG B 85 4.048 -7.036 -12.453 1.00 67.10 N ATOM 1400 NH2 ARG B 85 5.795 -8.383 -13.028 1.00 67.94 N ATOM 1401 N GLY B 86 6.212 -6.207 -6.904 1.00 64.58 N ATOM 1402 CA GLY B 86 5.178 -6.743 -6.052 1.00 63.05 C ATOM 1403 C GLY B 86 4.999 -5.908 -4.812 1.00 60.16 C ATOM 1404 O GLY B 86 3.892 -5.629 -4.420 1.00 58.12 O ATOM 1405 N THR B 87 6.098 -5.527 -4.184 1.00 61.29 N ATOM 1406 CA THR B 87 6.017 -4.677 -3.017 1.00 61.55 C ATOM 1407 C THR B 87 5.354 -3.382 -3.401 1.00 60.67 C ATOM 1408 O THR B 87 4.503 -2.881 -2.693 1.00 59.80 O ATOM 1409 CB THR B 87 7.399 -4.305 -2.434 1.00 63.96 C ATOM 1410 OG1 THR B 87 8.255 -5.451 -2.369 1.00 68.60 O ATOM 1411 CG2 THR B 87 7.223 -3.753 -1.025 1.00 66.08 C ATOM 1412 N LEU B 88 5.754 -2.837 -4.540 1.00 62.41 N ATOM 1413 CA LEU B 88 5.260 -1.550 -4.955 1.00 62.17 C ATOM 1414 C LEU B 88 3.751 -1.659 -5.097 1.00 64.59 C ATOM 1415 O LEU B 88 3.000 -0.829 -4.654 1.00 60.32 O ATOM 1416 CB LEU B 88 5.909 -1.160 -6.269 1.00 60.76 C ATOM 1417 CG LEU B 88 5.448 0.186 -6.815 1.00 60.35 C ATOM 1418 CD1 LEU B 88 6.152 1.279 -6.070 1.00 61.49 C ATOM 1419 CD2 LEU B 88 5.787 0.277 -8.275 1.00 61.32 C ATOM 1420 N ARG B 89 3.303 -2.738 -5.689 1.00 72.46 N ATOM 1421 CA ARG B 89 1.902 -2.877 -5.958 1.00 74.91 C ATOM 1422 C ARG B 89 1.181 -2.972 -4.611 1.00 71.18 C ATOM 1423 O ARG B 89 0.113 -2.412 -4.424 1.00 67.96 O ATOM 1424 CB ARG B 89 1.731 -4.063 -6.904 1.00 79.11 C ATOM 1425 CG ARG B 89 0.377 -4.765 -6.916 1.00 84.42 C ATOM 1426 CD ARG B 89 0.371 -5.974 -7.914 1.00 86.11 C ATOM 1427 NE ARG B 89 0.735 -5.483 -9.237 1.00 87.46 N ATOM 1428 CZ ARG B 89 -0.085 -4.806 -10.036 1.00 90.31 C ATOM 1429 NH1 ARG B 89 -1.346 -4.570 -9.688 1.00 91.72 N ATOM 1430 NH2 ARG B 89 0.352 -4.383 -11.212 1.00 92.32 N ATOM 1431 N LYS B 90 1.829 -3.618 -3.656 1.00 73.31 N ATOM 1432 CA LYS B 90 1.309 -3.792 -2.294 1.00 72.93 C ATOM 1433 C LYS B 90 1.257 -2.505 -1.499 1.00 67.57 C ATOM 1434 O LYS B 90 0.275 -2.246 -0.814 1.00 62.13 O ATOM 1435 CB LYS B 90 2.177 -4.806 -1.538 1.00 76.19 C ATOM 1436 CG LYS B 90 2.005 -4.827 -0.031 1.00 78.19 C ATOM 1437 CD LYS B 90 2.786 -6.029 0.547 1.00 81.13 C ATOM 1438 CE LYS B 90 2.948 -6.017 2.106 1.00 81.50 C ATOM 1439 NZ LYS B 90 3.450 -7.361 2.589 1.00 80.94 N ATOM 1440 N LYS B 91 2.335 -1.730 -1.563 1.00 65.10 N ATOM 1441 CA LYS B 91 2.388 -0.435 -0.896 1.00 66.14 C ATOM 1442 C LYS B 91 1.326 0.458 -1.483 1.00 65.84 C ATOM 1443 O LYS B 91 0.667 1.167 -0.758 1.00 66.22 O ATOM 1444 CB LYS B 91 3.764 0.262 -1.020 1.00 65.51 C ATOM 1445 CG LYS B 91 4.888 -0.393 -0.242 1.00 66.09 C ATOM 1446 CD LYS B 91 6.138 0.476 -0.081 1.00 67.06 C ATOM 1447 CE LYS B 91 7.449 -0.366 0.328 1.00 70.13 C ATOM 1448 NZ LYS B 91 7.443 -1.469 1.443 1.00 66.76 N ATOM 1449 N LEU B 92 1.160 0.420 -2.802 1.00 67.98 N ATOM 1450 CA LEU B 92 0.188 1.277 -3.477 1.00 66.58 C ATOM 1451 C LEU B 92 -1.205 0.957 -3.012 1.00 63.65 C ATOM 1452 O LEU B 92 -1.977 1.862 -2.746 1.00 61.87 O ATOM 1453 CB LEU B 92 0.273 1.140 -4.996 1.00 66.05 C ATOM 1454 CG LEU B 92 1.520 1.736 -5.660 1.00 65.15 C ATOM 1455 CD1 LEU B 92 1.699 1.166 -7.046 1.00 62.08 C ATOM 1456 CD2 LEU B 92 1.440 3.240 -5.699 1.00 64.36 C ATOM 1457 N LYS B 93 -1.507 -0.325 -2.887 1.00 65.92 N ATOM 1458 CA LYS B 93 -2.808 -0.754 -2.360 1.00 70.81 C ATOM 1459 C LYS B 93 -3.030 -0.218 -0.945 1.00 71.24 C ATOM 1460 O LYS B 93 -4.062 0.382 -0.661 1.00 69.68 O ATOM 1461 CB LYS B 93 -2.947 -2.291 -2.375 1.00 71.27 C ATOM 1462 CG LYS B 93 -4.388 -2.762 -2.258 1.00 69.93 C ATOM 1463 CD LYS B 93 -4.497 -4.253 -1.929 1.00 71.08 C ATOM 1464 CE LYS B 93 -5.927 -4.609 -1.453 1.00 71.54 C ATOM 1465 NZ LYS B 93 -6.050 -5.933 -0.774 1.00 70.13 N ATOM 1466 N LYS B 94 -2.038 -0.437 -0.085 1.00 74.57 N ATOM 1467 CA LYS B 94 -1.990 0.103 1.290 1.00 75.12 C ATOM 1468 C LYS B 94 -2.549 1.497 1.455 1.00 73.19 C ATOM 1469 O LYS B 94 -3.213 1.761 2.435 1.00 75.92 O ATOM 1470 CB LYS B 94 -0.541 0.118 1.802 1.00 77.06 C ATOM 1471 CG LYS B 94 -0.360 0.458 3.262 1.00 76.80 C ATOM 1472 CD LYS B 94 1.015 -0.006 3.727 1.00 79.19 C ATOM 1473 CE LYS B 94 1.243 0.290 5.210 1.00 82.08 C ATOM 1474 NZ LYS B 94 1.162 1.761 5.514 1.00 84.94 N ATOM 1475 N TYR B 95 -2.265 2.387 0.514 1.00 73.22 N ATOM 1476 CA TYR B 95 -2.726 3.771 0.599 1.00 74.44 C ATOM 1477 C TYR B 95 -3.819 4.113 -0.416 1.00 72.86 C ATOM 1478 O TYR B 95 -4.136 5.282 -0.617 1.00 65.84 O ATOM 1479 CB TYR B 95 -1.537 4.700 0.389 1.00 73.83 C ATOM 1480 CG TYR B 95 -0.365 4.411 1.295 1.00 73.36 C ATOM 1481 CD1 TYR B 95 -0.310 4.920 2.569 1.00 73.27 C ATOM 1482 CD2 TYR B 95 0.683 3.648 0.872 1.00 73.64 C ATOM 1483 CE1 TYR B 95 0.746 4.679 3.393 1.00 72.38 C ATOM 1484 CE2 TYR B 95 1.756 3.403 1.703 1.00 73.63 C ATOM 1485 CZ TYR B 95 1.773 3.929 2.959 1.00 72.39 C ATOM 1486 OH TYR B 95 2.833 3.696 3.788 1.00 73.77 O ATOM 1487 N GLY B 96 -4.395 3.091 -1.038 1.00 75.24 N ATOM 1488 CA GLY B 96 -5.294 3.278 -2.164 1.00 79.18 C ATOM 1489 C GLY B 96 -4.779 4.269 -3.200 1.00 80.87 C ATOM 1490 O GLY B 96 -5.340 5.353 -3.345 1.00 80.59 O ATOM 1491 N MET B 97 -3.703 3.915 -3.907 1.00 85.39 N ATOM 1492 CA MET B 97 -3.224 4.720 -5.044 1.00 89.66 C ATOM 1493 C MET B 97 -3.505 3.958 -6.334 1.00 93.43 C ATOM 1494 O MET B 97 -2.617 3.742 -7.144 1.00 95.41 O ATOM 1495 CB MET B 97 -1.739 5.112 -4.887 1.00 89.08 C ATOM 1496 CG MET B 97 -1.492 5.863 -3.568 1.00 90.66 C ATOM 1497 SD MET B 97 0.105 6.660 -3.234 1.00 87.56 S ATOM 1498 CE MET B 97 0.077 7.932 -4.495 1.00 90.92 C ATOM 1499 N ASN B 98 -4.775 3.577 -6.505 1.00 97.89 N ATOM 1500 CA ASN B 98 -5.247 2.736 -7.631 1.00 99.09 C ATOM 1501 C ASN B 98 -6.780 2.545 -7.590 1.00101.00 C ATOM 1502 O ASN B 98 -7.460 2.532 -8.622 1.00102.27 O ATOM 1503 CB ASN B 98 -4.539 1.349 -7.653 1.00 99.07 C ATOM 1504 CG ASN B 98 -4.589 0.629 -6.306 1.00 96.54 C ATOM 1505 OD1 ASN B 98 -5.237 -0.396 -6.160 1.00 95.40 O ATOM 1506 ND2 ASN B 98 -3.894 1.169 -5.325 1.00 95.75 N TER 1507 ASN B 98 ATOM 1508 O5' DA C 1 0.972 -6.031 -39.240 1.00 85.19 O ATOM 1509 C5' DA C 1 1.182 -7.313 -38.632 1.00 90.00 C ATOM 1510 C4' DA C 1 2.288 -7.273 -37.564 1.00 91.52 C ATOM 1511 O4' DA C 1 2.141 -6.070 -36.732 1.00 91.42 O ATOM 1512 C3' DA C 1 2.359 -8.482 -36.608 1.00 90.79 C ATOM 1513 O3' DA C 1 3.699 -9.126 -36.497 1.00 87.79 O ATOM 1514 C2' DA C 1 1.847 -7.891 -35.288 1.00 92.10 C ATOM 1515 C1' DA C 1 2.088 -6.367 -35.337 1.00 91.75 C ATOM 1516 N9 DA C 1 1.093 -5.533 -34.584 1.00 91.16 N ATOM 1517 C8 DA C 1 -0.257 -5.754 -34.407 1.00 91.91 C ATOM 1518 N7 DA C 1 -0.915 -4.867 -33.697 1.00 88.29 N ATOM 1519 C5 DA C 1 0.069 -4.000 -33.371 1.00 88.15 C ATOM 1520 C6 DA C 1 0.015 -2.839 -32.616 1.00 91.51 C ATOM 1521 N6 DA C 1 -1.114 -2.400 -32.080 1.00 92.62 N ATOM 1522 N1 DA C 1 1.155 -2.139 -32.435 1.00 93.05 N ATOM 1523 C2 DA C 1 2.283 -2.600 -32.994 1.00 92.60 C ATOM 1524 N3 DA C 1 2.449 -3.697 -33.743 1.00 93.44 N ATOM 1525 C4 DA C 1 1.293 -4.366 -33.891 1.00 89.86 C ATOM 1526 P DA C 2 5.077 -8.486 -35.903 1.00 88.82 P ATOM 1527 OP1 DA C 2 5.193 -6.998 -36.030 1.00 85.99 O ATOM 1528 OP2 DA C 2 6.177 -9.372 -36.338 1.00 87.92 O ATOM 1529 O5' DA C 2 4.918 -8.664 -34.335 1.00 91.85 O ATOM 1530 C5' DA C 2 5.996 -8.457 -33.433 1.00 91.58 C ATOM 1531 C4' DA C 2 6.628 -7.070 -33.394 1.00 91.25 C ATOM 1532 O4' DA C 2 5.741 -5.917 -33.308 1.00 91.64 O ATOM 1533 C3' DA C 2 7.426 -6.994 -32.109 1.00 91.03 C ATOM 1534 O3' DA C 2 8.611 -6.353 -32.345 1.00 90.50 O ATOM 1535 C2' DA C 2 6.563 -6.261 -31.083 1.00 88.89 C ATOM 1536 C1' DA C 2 5.650 -5.443 -31.954 1.00 86.21 C ATOM 1537 N9 DA C 2 4.279 -5.602 -31.528 1.00 84.84 N ATOM 1538 C8 DA C 2 3.457 -6.653 -31.836 1.00 83.59 C ATOM 1539 N7 DA C 2 2.255 -6.521 -31.338 1.00 84.54 N ATOM 1540 C5 DA C 2 2.310 -5.312 -30.654 1.00 84.78 C ATOM 1541 C6 DA C 2 1.362 -4.593 -29.921 1.00 83.89 C ATOM 1542 N6 DA C 2 0.128 -5.036 -29.741 1.00 85.44 N ATOM 1543 N1 DA C 2 1.710 -3.430 -29.374 1.00 81.87 N ATOM 1544 C2 DA C 2 2.942 -3.001 -29.563 1.00 82.26 C ATOM 1545 N3 DA C 2 3.922 -3.576 -30.232 1.00 83.83 N ATOM 1546 C4 DA C 2 3.546 -4.737 -30.759 1.00 84.10 C ATOM 1547 P DA C 3 9.666 -6.732 -31.234 1.00 93.45 P ATOM 1548 OP1 DA C 3 10.962 -6.274 -31.795 1.00 94.05 O ATOM 1549 OP2 DA C 3 9.482 -8.113 -30.720 1.00 92.04 O ATOM 1550 O5' DA C 3 9.160 -5.825 -30.036 1.00 91.36 O ATOM 1551 C5' DA C 3 9.266 -4.438 -30.160 1.00 90.50 C ATOM 1552 C4' DA C 3 8.741 -3.893 -28.879 1.00 89.83 C ATOM 1553 O4' DA C 3 7.314 -4.120 -28.766 1.00 86.80 O ATOM 1554 C3' DA C 3 9.395 -4.597 -27.707 1.00 90.95 C ATOM 1555 O3' DA C 3 10.084 -3.599 -27.009 1.00 97.59 O ATOM 1556 C2' DA C 3 8.229 -5.245 -26.951 1.00 87.81 C ATOM 1557 C1' DA C 3 7.055 -4.424 -27.423 1.00 84.41 C ATOM 1558 N9 DA C 3 5.829 -5.135 -27.468 1.00 81.68 N ATOM 1559 C8 DA C 3 5.641 -6.353 -27.983 1.00 81.91 C ATOM 1560 N7 DA C 3 4.409 -6.742 -27.919 1.00 82.38 N ATOM 1561 C5 DA C 3 3.754 -5.707 -27.329 1.00 82.40 C ATOM 1562 C6 DA C 3 2.405 -5.524 -26.982 1.00 84.08 C ATOM 1563 N6 DA C 3 1.476 -6.444 -27.205 1.00 82.65 N ATOM 1564 N1 DA C 3 2.046 -4.356 -26.410 1.00 83.38 N ATOM 1565 C2 DA C 3 3.017 -3.450 -26.200 1.00 84.25 C ATOM 1566 N3 DA C 3 4.333 -3.516 -26.485 1.00 83.80 N ATOM 1567 C4 DA C 3 4.626 -4.694 -27.050 1.00 82.45 C ATOM 1568 P DT C 4 10.576 -3.861 -25.509 1.00100.25 P ATOM 1569 OP1 DT C 4 11.420 -2.660 -25.247 1.00 97.73 O ATOM 1570 OP2 DT C 4 11.046 -5.305 -25.401 1.00 91.99 O ATOM 1571 O5' DT C 4 9.264 -3.570 -24.627 1.00 97.72 O ATOM 1572 C5' DT C 4 8.760 -2.222 -24.546 1.00 95.49 C ATOM 1573 C4' DT C 4 7.478 -2.166 -23.727 1.00 94.02 C ATOM 1574 O4' DT C 4 6.562 -3.211 -24.151 1.00 92.21 O ATOM 1575 C3' DT C 4 7.712 -2.408 -22.249 1.00 94.12 C ATOM 1576 O3' DT C 4 7.407 -1.226 -21.486 1.00 94.58 O ATOM 1577 C2' DT C 4 6.828 -3.631 -21.938 1.00 93.82 C ATOM 1578 C1' DT C 4 5.794 -3.599 -23.043 1.00 89.46 C ATOM 1579 N1 DT C 4 5.106 -4.887 -23.396 1.00 89.27 N ATOM 1580 C2 DT C 4 3.708 -4.999 -23.345 1.00 85.33 C ATOM 1581 O2 DT C 4 2.908 -4.150 -23.012 1.00 82.17 O ATOM 1582 N3 DT C 4 3.222 -6.205 -23.745 1.00 86.23 N ATOM 1583 C4 DT C 4 3.944 -7.305 -24.146 1.00 86.70 C ATOM 1584 O4 DT C 4 3.393 -8.335 -24.456 1.00 86.00 O ATOM 1585 C5 DT C 4 5.365 -7.161 -24.203 1.00 87.81 C ATOM 1586 C7 DT C 4 6.121 -8.233 -24.927 1.00 87.23 C ATOM 1587 C6 DT C 4 5.891 -5.963 -23.833 1.00 90.55 C ATOM 1588 P DT C 5 7.716 -1.077 -19.889 1.00 95.59 P ATOM 1589 OP1 DT C 5 7.867 0.407 -19.729 1.00 92.88 O ATOM 1590 OP2 DT C 5 8.750 -2.045 -19.391 1.00 94.32 O ATOM 1591 O5' DT C 5 6.321 -1.571 -19.245 1.00 88.63 O ATOM 1592 C5' DT C 5 5.179 -0.876 -19.725 1.00 84.34 C ATOM 1593 C4' DT C 5 3.924 -1.466 -19.191 1.00 82.07 C ATOM 1594 O4' DT C 5 3.727 -2.732 -19.855 1.00 82.07 O ATOM 1595 C3' DT C 5 3.968 -1.747 -17.708 1.00 81.46 C ATOM 1596 O3' DT C 5 2.821 -1.173 -17.142 1.00 79.55 O ATOM 1597 C2' DT C 5 4.021 -3.278 -17.652 1.00 82.17 C ATOM 1598 C1' DT C 5 3.294 -3.695 -18.931 1.00 80.22 C ATOM 1599 N1 DT C 5 3.607 -5.064 -19.490 1.00 78.96 N ATOM 1600 C2 DT C 5 2.592 -5.939 -19.822 1.00 80.70 C ATOM 1601 O2 DT C 5 1.395 -5.709 -19.687 1.00 78.45 O ATOM 1602 N3 DT C 5 3.040 -7.149 -20.308 1.00 82.71 N ATOM 1603 C4 DT C 5 4.357 -7.546 -20.528 1.00 80.79 C ATOM 1604 O4 DT C 5 4.595 -8.663 -20.990 1.00 79.52 O ATOM 1605 C5 DT C 5 5.368 -6.577 -20.164 1.00 78.25 C ATOM 1606 C7 DT C 5 6.833 -6.733 -20.468 1.00 76.91 C ATOM 1607 C6 DT C 5 4.930 -5.417 -19.677 1.00 78.77 C ATOM 1608 P DT C 6 2.602 -1.200 -15.564 1.00 83.65 P ATOM 1609 OP1 DT C 6 2.188 0.210 -15.178 1.00 73.80 O ATOM 1610 OP2 DT C 6 3.711 -1.948 -14.899 1.00 81.78 O ATOM 1611 O5' DT C 6 1.425 -2.291 -15.463 1.00 81.07 O ATOM 1612 C5' DT C 6 0.176 -2.036 -16.054 1.00 81.14 C ATOM 1613 C4' DT C 6 -0.574 -3.328 -16.092 1.00 82.38 C ATOM 1614 O4' DT C 6 0.282 -4.383 -16.624 1.00 80.77 O ATOM 1615 C3' DT C 6 -1.033 -3.778 -14.718 1.00 85.37 C ATOM 1616 O3' DT C 6 -2.493 -3.614 -14.625 1.00 89.74 O ATOM 1617 C2' DT C 6 -0.484 -5.233 -14.613 1.00 84.44 C ATOM 1618 C1' DT C 6 -0.056 -5.624 -16.030 1.00 79.84 C ATOM 1619 N1 DT C 6 1.106 -6.555 -16.253 1.00 75.59 N ATOM 1620 C2 DT C 6 0.887 -7.826 -16.687 1.00 79.99 C ATOM 1621 O2 DT C 6 -0.248 -8.258 -16.837 1.00 81.21 O ATOM 1622 N3 DT C 6 2.020 -8.601 -16.920 1.00 80.97 N ATOM 1623 C4 DT C 6 3.346 -8.225 -16.786 1.00 80.75 C ATOM 1624 O4 DT C 6 4.326 -8.963 -16.999 1.00 77.81 O ATOM 1625 C5 DT C 6 3.484 -6.861 -16.355 1.00 80.37 C ATOM 1626 C7 DT C 6 4.846 -6.218 -16.435 1.00 83.17 C ATOM 1627 C6 DT C 6 2.387 -6.122 -16.119 1.00 76.68 C ATOM 1628 P DG C 7 -3.265 -3.621 -13.201 1.00 93.68 P ATOM 1629 OP1 DG C 7 -4.669 -3.148 -13.352 1.00 91.45 O ATOM 1630 OP2 DG C 7 -2.323 -2.951 -12.259 1.00 92.09 O ATOM 1631 O5' DG C 7 -3.361 -5.173 -12.841 1.00 90.83 O ATOM 1632 C5' DG C 7 -4.074 -6.018 -13.714 1.00 89.34 C ATOM 1633 C4' DG C 7 -3.901 -7.473 -13.335 1.00 89.04 C ATOM 1634 O4' DG C 7 -2.658 -7.983 -13.851 1.00 88.39 O ATOM 1635 C3' DG C 7 -3.870 -7.803 -11.845 1.00 89.13 C ATOM 1636 O3' DG C 7 -4.800 -8.836 -11.691 1.00 91.90 O ATOM 1637 C2' DG C 7 -2.459 -8.289 -11.542 1.00 87.50 C ATOM 1638 C1' DG C 7 -2.092 -8.856 -12.901 1.00 87.52 C ATOM 1639 N9 DG C 7 -0.668 -8.913 -13.186 1.00 87.62 N ATOM 1640 C8 DG C 7 0.284 -7.945 -12.980 1.00 86.60 C ATOM 1641 N7 DG C 7 1.476 -8.299 -13.365 1.00 85.86 N ATOM 1642 C5 DG C 7 1.298 -9.574 -13.867 1.00 87.37 C ATOM 1643 C6 DG C 7 2.234 -10.470 -14.425 1.00 87.89 C ATOM 1644 O6 DG C 7 3.464 -10.312 -14.579 1.00 87.36 O ATOM 1645 N1 DG C 7 1.603 -11.658 -14.810 1.00 88.37 N ATOM 1646 C2 DG C 7 0.255 -11.934 -14.678 1.00 87.22 C ATOM 1647 N2 DG C 7 -0.175 -13.139 -15.100 1.00 86.99 N ATOM 1648 N3 DG C 7 -0.615 -11.103 -14.144 1.00 85.82 N ATOM 1649 C4 DG C 7 -0.021 -9.960 -13.770 1.00 86.59 C ATOM 1650 P DT C 8 -5.442 -9.225 -10.292 1.00 93.21 P ATOM 1651 OP1 DT C 8 -6.856 -9.561 -10.613 1.00 90.31 O ATOM 1652 OP2 DT C 8 -5.029 -8.212 -9.279 1.00 92.59 O ATOM 1653 O5' DT C 8 -4.656 -10.575 -9.925 1.00 93.89 O ATOM 1654 C5' DT C 8 -4.877 -11.726 -10.731 1.00 92.57 C ATOM 1655 C4' DT C 8 -3.681 -12.649 -10.658 1.00 91.64 C ATOM 1656 O4' DT C 8 -2.481 -11.975 -11.106 1.00 90.97 O ATOM 1657 C3' DT C 8 -3.305 -13.170 -9.278 1.00 91.68 C ATOM 1658 O3' DT C 8 -3.816 -14.494 -9.070 1.00 94.64 O ATOM 1659 C2' DT C 8 -1.779 -13.161 -9.326 1.00 91.29 C ATOM 1660 C1' DT C 8 -1.447 -12.866 -10.785 1.00 90.21 C ATOM 1661 N1 DT C 8 -0.101 -12.264 -10.955 1.00 88.58 N ATOM 1662 C2 DT C 8 0.975 -12.992 -11.477 1.00 86.70 C ATOM 1663 O2 DT C 8 1.008 -14.146 -11.877 1.00 84.28 O ATOM 1664 N3 DT C 8 2.130 -12.300 -11.501 1.00 87.49 N ATOM 1665 C4 DT C 8 2.290 -10.997 -11.104 1.00 89.99 C ATOM 1666 O4 DT C 8 3.371 -10.422 -11.182 1.00 92.40 O ATOM 1667 C5 DT C 8 1.157 -10.309 -10.572 1.00 88.22 C ATOM 1668 C7 DT C 8 1.362 -8.880 -10.139 1.00 90.39 C ATOM 1669 C6 DT C 8 0.012 -10.964 -10.511 1.00 86.41 C ATOM 1670 P DT C 9 -3.427 -15.322 -7.751 1.00 96.37 P ATOM 1671 OP1 DT C 9 -4.634 -16.135 -7.480 1.00 95.58 O ATOM 1672 OP2 DT C 9 -2.812 -14.366 -6.768 1.00 92.23 O ATOM 1673 O5' DT C 9 -2.265 -16.348 -8.119 1.00 94.46 O ATOM 1674 C5' DT C 9 -2.284 -17.186 -9.241 1.00 94.50 C ATOM 1675 C4' DT C 9 -0.894 -17.774 -9.335 1.00 95.22 C ATOM 1676 O4' DT C 9 0.064 -16.734 -9.606 1.00 96.72 O ATOM 1677 C3' DT C 9 -0.408 -18.396 -8.041 1.00 95.88 C ATOM 1678 O3' DT C 9 -0.407 -19.763 -8.269 1.00 99.51 O ATOM 1679 C2' DT C 9 0.997 -17.861 -7.782 1.00 95.70 C ATOM 1680 C1' DT C 9 1.314 -17.060 -9.038 1.00 95.68 C ATOM 1681 N1 DT C 9 2.035 -15.762 -8.824 1.00 94.76 N ATOM 1682 C2 DT C 9 3.241 -15.501 -9.460 1.00 95.11 C ATOM 1683 O2 DT C 9 3.822 -16.251 -10.212 1.00 94.60 O ATOM 1684 N3 DT C 9 3.781 -14.277 -9.185 1.00 96.29 N ATOM 1685 C4 DT C 9 3.236 -13.330 -8.349 1.00 94.83 C ATOM 1686 O4 DT C 9 3.789 -12.267 -8.172 1.00 95.24 O ATOM 1687 C5 DT C 9 1.969 -13.623 -7.741 1.00 93.81 C ATOM 1688 C7 DT C 9 1.056 -12.444 -7.582 1.00 92.06 C ATOM 1689 C6 DT C 9 1.445 -14.829 -7.989 1.00 93.48 C ATOM 1690 P DT C 10 -0.271 -20.768 -7.057 1.00100.17 P ATOM 1691 OP1 DT C 10 -0.900 -22.037 -7.495 1.00 98.38 O ATOM 1692 OP2 DT C 10 -0.723 -20.059 -5.832 1.00 99.72 O ATOM 1693 O5' DT C 10 1.327 -20.921 -7.009 1.00101.39 O ATOM 1694 C5' DT C 10 1.995 -21.567 -8.100 1.00101.54 C ATOM 1695 C4' DT C 10 3.502 -21.452 -7.990 1.00101.38 C ATOM 1696 O4' DT C 10 3.876 -20.078 -8.206 1.00 99.96 O ATOM 1697 C3' DT C 10 4.072 -21.874 -6.637 1.00102.32 C ATOM 1698 O3' DT C 10 4.574 -23.235 -6.685 1.00104.05 O ATOM 1699 C2' DT C 10 5.155 -20.839 -6.353 1.00101.65 C ATOM 1700 C1' DT C 10 5.008 -19.778 -7.432 1.00100.98 C ATOM 1701 N1 DT C 10 4.842 -18.381 -6.889 1.00101.84 N ATOM 1702 C2 DT C 10 5.852 -17.484 -7.151 1.00102.00 C ATOM 1703 O2 DT C 10 6.848 -17.793 -7.783 1.00103.14 O ATOM 1704 N3 DT C 10 5.673 -16.221 -6.653 1.00101.23 N ATOM 1705 C4 DT C 10 4.587 -15.777 -5.935 1.00100.85 C ATOM 1706 O4 DT C 10 4.555 -14.615 -5.548 1.00100.93 O ATOM 1707 C5 DT C 10 3.555 -16.762 -5.675 1.00100.87 C ATOM 1708 C7 DT C 10 2.387 -16.424 -4.801 1.00 99.60 C ATOM 1709 C6 DT C 10 3.724 -18.005 -6.157 1.00101.02 C ATOM 1710 P DG C 11 5.270 -23.919 -5.406 1.00105.50 P ATOM 1711 OP1 DG C 11 5.248 -25.393 -5.645 1.00102.60 O ATOM 1712 OP2 DG C 11 4.777 -23.263 -4.154 1.00103.13 O ATOM 1713 O5' DG C 11 6.768 -23.390 -5.483 1.00104.08 O ATOM 1714 C5' DG C 11 7.634 -23.700 -6.552 1.00102.33 C ATOM 1715 C4' DG C 11 8.924 -22.986 -6.231 1.00100.68 C ATOM 1716 O4' DG C 11 8.653 -21.576 -6.017 1.00100.31 O ATOM 1717 C3' DG C 11 9.581 -23.459 -4.945 1.00 99.13 C ATOM 1718 O3' DG C 11 10.949 -23.503 -5.227 1.00 97.83 O ATOM 1719 C2' DG C 11 9.163 -22.418 -3.900 1.00 98.74 C ATOM 1720 C1' DG C 11 9.136 -21.156 -4.754 1.00 99.62 C ATOM 1721 N9 DG C 11 8.275 -20.063 -4.292 1.00 99.28 N ATOM 1722 C8 DG C 11 6.999 -20.140 -3.790 1.00 99.45 C ATOM 1723 N7 DG C 11 6.461 -18.989 -3.482 1.00 98.05 N ATOM 1724 C5 DG C 11 7.447 -18.079 -3.799 1.00 98.59 C ATOM 1725 C6 DG C 11 7.450 -16.666 -3.665 1.00 99.15 C ATOM 1726 O6 DG C 11 6.562 -15.904 -3.243 1.00 99.64 O ATOM 1727 N1 DG C 11 8.642 -16.109 -4.107 1.00 99.52 N ATOM 1728 C2 DG C 11 9.699 -16.844 -4.595 1.00100.13 C ATOM 1729 N2 DG C 11 10.753 -16.098 -4.959 1.00100.72 N ATOM 1730 N3 DG C 11 9.723 -18.175 -4.729 1.00 99.90 N ATOM 1731 C4 DG C 11 8.563 -18.723 -4.303 1.00 98.99 C ATOM 1732 P DT C 12 11.965 -23.878 -4.081 1.00 98.36 P ATOM 1733 OP1 DT C 12 13.014 -24.752 -4.664 1.00100.22 O ATOM 1734 OP2 DT C 12 11.188 -24.277 -2.888 1.00 99.14 O ATOM 1735 O5' DT C 12 12.610 -22.481 -3.718 1.00 97.03 O ATOM 1736 C5' DT C 12 13.176 -21.694 -4.735 1.00 97.35 C ATOM 1737 C4' DT C 12 13.826 -20.461 -4.129 1.00 96.97 C ATOM 1738 O4' DT C 12 12.860 -19.448 -3.733 1.00 94.47 O ATOM 1739 C3' DT C 12 14.637 -20.722 -2.869 1.00 96.13 C ATOM 1740 O3' DT C 12 15.773 -19.926 -2.975 1.00 97.23 O ATOM 1741 C2' DT C 12 13.736 -20.242 -1.739 1.00 94.79 C ATOM 1742 C1' DT C 12 13.169 -19.012 -2.422 1.00 93.25 C ATOM 1743 N1 DT C 12 11.918 -18.460 -1.859 1.00 93.34 N ATOM 1744 C2 DT C 12 11.751 -17.058 -1.640 1.00 94.78 C ATOM 1745 O2 DT C 12 12.561 -16.125 -1.825 1.00 92.52 O ATOM 1746 N3 DT C 12 10.519 -16.750 -1.125 1.00 93.04 N ATOM 1747 C4 DT C 12 9.495 -17.647 -0.873 1.00 91.53 C ATOM 1748 O4 DT C 12 8.440 -17.243 -0.429 1.00 92.51 O ATOM 1749 C5 DT C 12 9.730 -19.049 -1.118 1.00 89.73 C ATOM 1750 C7 DT C 12 8.643 -20.044 -0.865 1.00 84.93 C ATOM 1751 C6 DT C 12 10.918 -19.394 -1.608 1.00 90.00 C ATOM 1752 P DT C 13 17.028 -20.267 -2.076 1.00 99.45 P ATOM 1753 OP1 DT C 13 17.987 -21.034 -2.948 1.00 95.99 O ATOM 1754 OP2 DT C 13 16.515 -20.935 -0.849 1.00 98.05 O ATOM 1755 O5' DT C 13 17.492 -18.766 -1.632 1.00 95.27 O ATOM 1756 C5' DT C 13 17.336 -17.590 -2.462 1.00 92.79 C ATOM 1757 C4' DT C 13 17.106 -16.278 -1.703 1.00 91.05 C ATOM 1758 O4' DT C 13 15.732 -16.082 -1.247 1.00 88.75 O ATOM 1759 C3' DT C 13 17.963 -16.091 -0.459 1.00 91.54 C ATOM 1760 O3' DT C 13 18.596 -14.829 -0.614 1.00 93.36 O ATOM 1761 C2' DT C 13 16.986 -16.182 0.729 1.00 89.89 C ATOM 1762 C1' DT C 13 15.712 -15.631 0.110 1.00 89.06 C ATOM 1763 N1 DT C 13 14.390 -16.030 0.759 1.00 88.38 N ATOM 1764 C2 DT C 13 13.413 -15.070 1.014 1.00 88.65 C ATOM 1765 O2 DT C 13 13.532 -13.865 0.788 1.00 89.16 O ATOM 1766 N3 DT C 13 12.263 -15.563 1.586 1.00 86.33 N ATOM 1767 C4 DT C 13 11.987 -16.883 1.889 1.00 86.83 C ATOM 1768 O4 DT C 13 10.942 -17.265 2.396 1.00 87.46 O ATOM 1769 C5 DT C 13 13.021 -17.819 1.606 1.00 87.00 C ATOM 1770 C7 DT C 13 12.813 -19.229 2.048 1.00 82.61 C ATOM 1771 C6 DT C 13 14.155 -17.363 1.053 1.00 87.74 C ATOM 1772 P DA C 14 19.433 -14.168 0.575 1.00 92.18 P ATOM 1773 OP1 DA C 14 20.413 -13.217 -0.002 1.00 94.50 O ATOM 1774 OP2 DA C 14 19.897 -15.237 1.476 1.00 90.42 O ATOM 1775 O5' DA C 14 18.272 -13.345 1.261 1.00 87.10 O ATOM 1776 C5' DA C 14 18.000 -12.118 0.699 1.00 86.50 C ATOM 1777 C4' DA C 14 17.236 -11.373 1.753 1.00 88.47 C ATOM 1778 O4' DA C 14 16.167 -12.235 2.198 1.00 86.87 O ATOM 1779 C3' DA C 14 18.078 -10.969 2.970 1.00 88.50 C ATOM 1780 O3' DA C 14 17.870 -9.560 3.170 1.00 89.38 O ATOM 1781 C2' DA C 14 17.571 -11.918 4.053 1.00 88.35 C ATOM 1782 C1' DA C 14 16.142 -12.146 3.596 1.00 88.50 C ATOM 1783 N9 DA C 14 15.521 -13.398 3.953 1.00 90.05 N ATOM 1784 C8 DA C 14 16.001 -14.687 3.829 1.00 90.90 C ATOM 1785 N7 DA C 14 15.150 -15.614 4.225 1.00 89.49 N ATOM 1786 C5 DA C 14 14.049 -14.854 4.616 1.00 89.84 C ATOM 1787 C6 DA C 14 12.793 -15.205 5.138 1.00 88.86 C ATOM 1788 N6 DA C 14 12.475 -16.474 5.343 1.00 88.73 N ATOM 1789 N1 DA C 14 11.901 -14.223 5.436 1.00 89.08 N ATOM 1790 C2 DA C 14 12.261 -12.941 5.216 1.00 89.56 C ATOM 1791 N3 DA C 14 13.414 -12.464 4.723 1.00 88.96 N ATOM 1792 C4 DA C 14 14.256 -13.490 4.446 1.00 90.28 C ATOM 1793 P DA C 15 18.274 -8.703 4.475 1.00 95.04 P ATOM 1794 OP1 DA C 15 18.483 -7.290 4.075 1.00 92.31 O ATOM 1795 OP2 DA C 15 19.332 -9.380 5.283 1.00 95.17 O ATOM 1796 O5' DA C 15 16.895 -8.803 5.287 1.00 92.29 O ATOM 1797 C5' DA C 15 15.693 -8.280 4.727 1.00 91.31 C ATOM 1798 C4' DA C 15 14.627 -8.141 5.786 1.00 89.66 C ATOM 1799 O4' DA C 15 14.162 -9.447 6.204 1.00 89.08 O ATOM 1800 C3' DA C 15 15.130 -7.499 7.067 1.00 91.95 C ATOM 1801 O3' DA C 15 14.204 -6.504 7.459 1.00 95.20 O ATOM 1802 C2' DA C 15 15.273 -8.648 8.077 1.00 89.10 C ATOM 1803 C1' DA C 15 14.188 -9.584 7.615 1.00 85.05 C ATOM 1804 N9 DA C 15 14.455 -10.981 7.830 1.00 84.28 N ATOM 1805 C8 DA C 15 15.670 -11.591 7.731 1.00 84.86 C ATOM 1806 N7 DA C 15 15.604 -12.895 7.935 1.00 86.51 N ATOM 1807 C5 DA C 15 14.256 -13.146 8.161 1.00 84.07 C ATOM 1808 C6 DA C 15 13.544 -14.324 8.439 1.00 81.94 C ATOM 1809 N6 DA C 15 14.149 -15.497 8.538 1.00 83.95 N ATOM 1810 N1 DA C 15 12.221 -14.268 8.625 1.00 81.06 N ATOM 1811 C2 DA C 15 11.653 -13.070 8.530 1.00 83.55 C ATOM 1812 N3 DA C 15 12.208 -11.877 8.275 1.00 83.85 N ATOM 1813 C4 DA C 15 13.533 -11.976 8.096 1.00 84.66 C ATOM 1814 P DA C 16 14.384 -5.740 8.832 1.00 92.83 P ATOM 1815 OP1 DA C 16 13.820 -4.369 8.626 1.00 95.82 O ATOM 1816 OP2 DA C 16 15.775 -6.019 9.294 1.00 92.01 O ATOM 1817 O5' DA C 16 13.343 -6.576 9.718 1.00 91.60 O ATOM 1818 C5' DA C 16 11.970 -6.528 9.278 1.00 90.64 C ATOM 1819 C4' DA C 16 11.047 -7.285 10.210 1.00 89.56 C ATOM 1820 O4' DA C 16 11.342 -8.712 10.174 1.00 88.76 O ATOM 1821 C3' DA C 16 11.226 -6.803 11.645 1.00 90.09 C ATOM 1822 O3' DA C 16 9.948 -6.536 12.250 1.00 89.77 O ATOM 1823 C2' DA C 16 12.067 -7.928 12.261 1.00 88.02 C ATOM 1824 C1' DA C 16 11.637 -9.168 11.490 1.00 84.53 C ATOM 1825 N9 DA C 16 12.632 -10.250 11.500 1.00 82.18 N ATOM 1826 C8 DA C 16 13.992 -10.207 11.308 1.00 83.42 C ATOM 1827 N7 DA C 16 14.624 -11.367 11.375 1.00 80.10 N ATOM 1828 C5 DA C 16 13.587 -12.217 11.641 1.00 79.18 C ATOM 1829 C6 DA C 16 13.563 -13.591 11.828 1.00 81.00 C ATOM 1830 N6 DA C 16 14.657 -14.352 11.786 1.00 82.43 N ATOM 1831 N1 DA C 16 12.358 -14.155 12.059 1.00 82.12 N ATOM 1832 C2 DA C 16 11.256 -13.392 12.109 1.00 82.60 C ATOM 1833 N3 DA C 16 11.149 -12.074 11.943 1.00 81.27 N ATOM 1834 C4 DA C 16 12.367 -11.561 11.717 1.00 80.47 C ATOM 1835 P DT C 17 9.834 -5.854 13.687 1.00 85.93 P ATOM 1836 OP1 DT C 17 8.437 -5.413 13.916 1.00 89.01 O ATOM 1837 OP2 DT C 17 10.989 -4.913 13.886 1.00 75.81 O ATOM 1838 O5' DT C 17 9.755 -7.248 14.475 1.00 85.10 O ATOM 1839 C5' DT C 17 8.706 -8.141 14.014 1.00 87.77 C ATOM 1840 C4' DT C 17 8.503 -9.428 14.806 1.00 90.03 C ATOM 1841 O4' DT C 17 9.425 -10.456 14.360 1.00 89.90 O ATOM 1842 C3' DT C 17 8.668 -9.303 16.308 1.00 92.17 C ATOM 1843 O3' DT C 17 7.472 -9.620 17.058 1.00 97.74 O ATOM 1844 C2' DT C 17 9.748 -10.304 16.647 1.00 91.22 C ATOM 1845 C1' DT C 17 9.877 -11.212 15.448 1.00 87.37 C ATOM 1846 N1 DT C 17 11.307 -11.570 15.300 1.00 85.82 N ATOM 1847 C2 DT C 17 11.692 -12.872 15.352 1.00 83.68 C ATOM 1848 O2 DT C 17 10.900 -13.779 15.462 1.00 85.98 O ATOM 1849 N3 DT C 17 13.033 -13.084 15.223 1.00 83.33 N ATOM 1850 C4 DT C 17 14.006 -12.120 15.082 1.00 85.31 C ATOM 1851 O4 DT C 17 15.188 -12.413 14.969 1.00 86.12 O ATOM 1852 C5 DT C 17 13.542 -10.762 15.053 1.00 85.24 C ATOM 1853 C7 DT C 17 14.499 -9.623 15.071 1.00 85.01 C ATOM 1854 C6 DT C 17 12.235 -10.552 15.166 1.00 86.35 C ATOM 1855 P DG C 18 7.341 -9.130 18.600 1.00102.14 P ATOM 1856 OP1 DG C 18 5.921 -8.742 18.724 1.00104.23 O ATOM 1857 OP2 DG C 18 8.382 -8.108 18.929 1.00 93.30 O ATOM 1858 O5' DG C 18 7.539 -10.519 19.428 1.00101.55 O ATOM 1859 C5' DG C 18 6.958 -11.709 18.850 1.00101.06 C ATOM 1860 C4' DG C 18 7.335 -12.964 19.598 1.00101.21 C ATOM 1861 O4' DG C 18 8.648 -13.423 19.175 1.00101.00 O ATOM 1862 C3' DG C 18 7.418 -12.807 21.102 1.00101.87 C ATOM 1863 O3' DG C 18 6.983 -14.020 21.702 1.00103.90 O ATOM 1864 C2' DG C 18 8.904 -12.555 21.336 1.00101.58 C ATOM 1865 C1' DG C 18 9.552 -13.425 20.257 1.00 99.69 C ATOM 1866 N9 DG C 18 10.837 -12.926 19.782 1.00 98.43 N ATOM 1867 C8 DG C 18 11.159 -11.614 19.536 1.00 98.13 C ATOM 1868 N7 DG C 18 12.378 -11.451 19.116 1.00 98.67 N ATOM 1869 C5 DG C 18 12.903 -12.741 19.083 1.00 98.86 C ATOM 1870 C6 DG C 18 14.201 -13.209 18.716 1.00 99.11 C ATOM 1871 O6 DG C 18 15.179 -12.577 18.331 1.00 99.38 O ATOM 1872 N1 DG C 18 14.356 -14.573 18.811 1.00 97.72 N ATOM 1873 C2 DG C 18 13.344 -15.381 19.235 1.00 97.95 C ATOM 1874 N2 DG C 18 13.692 -16.668 19.261 1.00 99.11 N ATOM 1875 N3 DG C 18 12.115 -14.988 19.583 1.00 96.84 N ATOM 1876 C4 DG C 18 11.962 -13.654 19.491 1.00 97.30 C ATOM 1877 P DA C 19 6.600 -14.114 23.262 1.00105.20 P ATOM 1878 OP1 DA C 19 5.267 -14.773 23.314 1.00103.53 O ATOM 1879 OP2 DA C 19 6.894 -12.815 23.927 1.00103.27 O ATOM 1880 O5' DA C 19 7.699 -15.085 23.902 1.00103.25 O ATOM 1881 C5' DA C 19 8.017 -16.386 23.413 1.00 99.87 C ATOM 1882 C4' DA C 19 9.442 -16.692 23.840 1.00 97.62 C ATOM 1883 O4' DA C 19 10.392 -15.826 23.166 1.00 95.38 O ATOM 1884 C3' DA C 19 9.715 -16.453 25.324 1.00 97.60 C ATOM 1885 O3' DA C 19 9.750 -17.729 25.947 1.00101.51 O ATOM 1886 C2' DA C 19 11.022 -15.632 25.365 1.00 95.59 C ATOM 1887 C1' DA C 19 11.563 -15.780 23.949 1.00 91.53 C ATOM 1888 N9 DA C 19 12.411 -14.700 23.452 1.00 89.51 N ATOM 1889 C8 DA C 19 12.118 -13.368 23.464 1.00 88.88 C ATOM 1890 N7 DA C 19 13.061 -12.626 22.923 1.00 89.45 N ATOM 1891 C5 DA C 19 14.032 -13.530 22.532 1.00 88.72 C ATOM 1892 C6 DA C 19 15.285 -13.378 21.899 1.00 88.92 C ATOM 1893 N6 DA C 19 15.784 -12.198 21.552 1.00 87.38 N ATOM 1894 N1 DA C 19 16.013 -14.493 21.653 1.00 89.31 N ATOM 1895 C2 DA C 19 15.513 -15.683 22.010 1.00 87.43 C ATOM 1896 N3 DA C 19 14.347 -15.940 22.604 1.00 85.39 N ATOM 1897 C4 DA C 19 13.647 -14.820 22.850 1.00 88.02 C ATOM 1898 P DG C 20 10.342 -17.903 27.411 1.00103.08 P ATOM 1899 OP1 DG C 20 9.972 -19.248 27.943 1.00100.55 O ATOM 1900 OP2 DG C 20 10.004 -16.640 28.118 1.00101.39 O ATOM 1901 O5' DG C 20 11.911 -17.897 27.073 1.00101.98 O ATOM 1902 C5' DG C 20 12.547 -19.056 26.516 1.00100.54 C ATOM 1903 C4' DG C 20 14.040 -18.905 26.704 1.00 99.59 C ATOM 1904 O4' DG C 20 14.504 -17.790 25.915 1.00 98.74 O ATOM 1905 C3' DG C 20 14.420 -18.579 28.141 1.00 99.46 C ATOM 1906 O3' DG C 20 15.337 -19.519 28.621 1.00101.68 O ATOM 1907 C2' DG C 20 15.019 -17.177 28.115 1.00 97.59 C ATOM 1908 C1' DG C 20 15.397 -16.987 26.660 1.00 96.61 C ATOM 1909 N9 DG C 20 15.315 -15.581 26.258 1.00 96.22 N ATOM 1910 C8 DG C 20 14.290 -14.705 26.523 1.00 95.85 C ATOM 1911 N7 DG C 20 14.500 -13.509 26.053 1.00 95.75 N ATOM 1912 C5 DG C 20 15.738 -13.593 25.447 1.00 94.95 C ATOM 1913 C6 DG C 20 16.478 -12.599 24.770 1.00 95.93 C ATOM 1914 O6 DG C 20 16.174 -11.417 24.563 1.00 95.58 O ATOM 1915 N1 DG C 20 17.691 -13.087 24.295 1.00 96.01 N ATOM 1916 C2 DG C 20 18.119 -14.382 24.461 1.00 94.72 C ATOM 1917 N2 DG C 20 19.308 -14.663 23.937 1.00 94.63 N ATOM 1918 N3 DG C 20 17.443 -15.322 25.096 1.00 93.37 N ATOM 1919 C4 DG C 20 16.258 -14.859 25.558 1.00 94.69 C ATOM 1920 P DC C 21 15.704 -19.512 30.179 1.00103.70 P ATOM 1921 OP1 DC C 21 15.902 -20.950 30.509 1.00102.06 O ATOM 1922 OP2 DC C 21 14.741 -18.637 30.908 1.00100.43 O ATOM 1923 O5' DC C 21 17.110 -18.744 30.259 1.00102.68 O ATOM 1924 C5' DC C 21 18.258 -19.298 29.621 1.00103.87 C ATOM 1925 C4' DC C 21 19.369 -18.277 29.590 1.00104.12 C ATOM 1926 O4' DC C 21 18.975 -17.170 28.760 1.00105.09 O ATOM 1927 C3' DC C 21 19.682 -17.656 30.940 1.00104.99 C ATOM 1928 O3' DC C 21 20.646 -18.476 31.562 1.00107.63 O ATOM 1929 C2' DC C 21 20.172 -16.249 30.599 1.00104.57 C ATOM 1930 C1' DC C 21 19.711 -16.032 29.157 1.00103.02 C ATOM 1931 N1 DC C 21 18.860 -14.811 28.904 1.00101.35 N ATOM 1932 C2 DC C 21 19.483 -13.756 28.248 1.00102.58 C ATOM 1933 O2 DC C 21 20.679 -13.914 27.957 1.00101.69 O ATOM 1934 N3 DC C 21 18.767 -12.622 27.972 1.00102.81 N ATOM 1935 C4 DC C 21 17.484 -12.551 28.325 1.00101.18 C ATOM 1936 N4 DC C 21 16.853 -11.421 28.035 1.00100.20 N ATOM 1937 C5 DC C 21 16.817 -13.630 28.994 1.00100.54 C ATOM 1938 C6 DC C 21 17.537 -14.730 29.261 1.00 99.35 C ATOM 1939 P DA C 22 21.222 -18.161 33.008 1.00108.83 P ATOM 1940 OP1 DA C 22 21.756 -19.459 33.481 1.00107.77 O ATOM 1941 OP2 DA C 22 20.235 -17.381 33.794 1.00106.10 O ATOM 1942 O5' DA C 22 22.460 -17.216 32.645 1.00110.39 O ATOM 1943 C5' DA C 22 23.569 -17.773 31.925 1.00111.16 C ATOM 1944 C4' DA C 22 24.515 -16.653 31.552 1.00111.08 C ATOM 1945 O4' DA C 22 23.716 -15.584 30.994 1.00109.49 O ATOM 1946 C3' DA C 22 25.266 -16.053 32.735 1.00111.76 C ATOM 1947 O3' DA C 22 26.646 -15.837 32.392 1.00113.97 O ATOM 1948 C2' DA C 22 24.486 -14.769 33.047 1.00110.05 C ATOM 1949 C1' DA C 22 23.943 -14.375 31.682 1.00107.87 C ATOM 1950 N9 DA C 22 22.670 -13.668 31.665 1.00107.07 N ATOM 1951 C8 DA C 22 21.553 -13.969 32.385 1.00106.45 C ATOM 1952 N7 DA C 22 20.540 -13.170 32.144 1.00105.47 N ATOM 1953 C5 DA C 22 21.022 -12.293 31.209 1.00104.24 C ATOM 1954 C6 DA C 22 20.417 -11.206 30.564 1.00105.94 C ATOM 1955 N6 DA C 22 19.156 -10.821 30.784 1.00105.28 N ATOM 1956 N1 DA C 22 21.182 -10.532 29.675 1.00107.12 N ATOM 1957 C2 DA C 22 22.456 -10.933 29.466 1.00106.78 C ATOM 1958 N3 DA C 22 23.131 -11.948 30.019 1.00104.34 N ATOM 1959 C4 DA C 22 22.339 -12.586 30.891 1.00105.06 C ATOM 1960 P DA C 23 27.671 -15.310 33.511 1.00114.57 P ATOM 1961 OP1 DA C 23 28.828 -16.245 33.465 1.00112.75 O ATOM 1962 OP2 DA C 23 26.875 -15.059 34.747 1.00112.77 O ATOM 1963 O5' DA C 23 28.150 -13.851 33.022 1.00112.53 O ATOM 1964 C5' DA C 23 28.139 -13.428 31.646 1.00109.18 C ATOM 1965 C4' DA C 23 27.891 -11.932 31.555 1.00106.54 C ATOM 1966 O4' DA C 23 26.461 -11.636 31.547 1.00104.38 O ATOM 1967 C3' DA C 23 28.464 -11.131 32.719 1.00105.33 C ATOM 1968 O3' DA C 23 28.942 -9.902 32.241 1.00105.00 O ATOM 1969 C2' DA C 23 27.233 -10.936 33.586 1.00104.74 C ATOM 1970 C1' DA C 23 26.235 -10.604 32.484 1.00102.52 C ATOM 1971 N9 DA C 23 24.843 -10.551 32.924 1.00101.59 N ATOM 1972 C8 DA C 23 24.209 -11.393 33.795 1.00100.42 C ATOM 1973 N7 DA C 23 22.957 -11.089 34.006 1.00 98.97 N ATOM 1974 C5 DA C 23 22.766 -9.971 33.235 1.00 99.60 C ATOM 1975 C6 DA C 23 21.644 -9.171 33.025 1.00100.71 C ATOM 1976 N6 DA C 23 20.487 -9.428 33.624 1.00100.35 N ATOM 1977 N1 DA C 23 21.763 -8.117 32.179 1.00101.41 N ATOM 1978 C2 DA C 23 22.940 -7.884 31.579 1.00100.51 C ATOM 1979 N3 DA C 23 24.076 -8.573 31.703 1.00100.49 N ATOM 1980 C4 DA C 23 23.912 -9.614 32.552 1.00101.06 C ATOM 1981 P DA C 24 29.960 -9.006 33.076 1.00103.41 P ATOM 1982 OP1 DA C 24 31.221 -9.768 33.155 1.00104.96 O ATOM 1983 OP2 DA C 24 29.340 -8.538 34.337 1.00104.31 O ATOM 1984 O5' DA C 24 30.092 -7.809 32.012 1.00103.09 O ATOM 1985 C5' DA C 24 30.079 -6.440 32.348 1.00101.49 C ATOM 1986 C4' DA C 24 28.773 -5.723 32.016 1.00100.53 C ATOM 1987 O4' DA C 24 27.560 -6.497 32.263 1.00 98.81 O ATOM 1988 C3' DA C 24 28.641 -4.455 32.858 1.00100.68 C ATOM 1989 O3' DA C 24 28.826 -3.343 31.996 1.00103.13 O ATOM 1990 C2' DA C 24 27.271 -4.521 33.542 1.00 99.02 C ATOM 1991 C1' DA C 24 26.552 -5.636 32.805 1.00 98.01 C ATOM 1992 N9 DA C 24 25.626 -6.373 33.680 1.00 98.01 N ATOM 1993 C8 DA C 24 25.856 -7.513 34.414 1.00 97.44 C ATOM 1994 N7 DA C 24 24.819 -7.939 35.105 1.00 95.77 N ATOM 1995 C5 DA C 24 23.839 -7.020 34.815 1.00 95.89 C ATOM 1996 C6 DA C 24 22.503 -6.896 35.224 1.00 95.96 C ATOM 1997 N6 DA C 24 21.915 -7.746 36.034 1.00 96.67 N ATOM 1998 N1 DA C 24 21.772 -5.872 34.779 1.00 96.04 N ATOM 1999 C2 DA C 24 22.374 -5.026 33.945 1.00 97.78 C ATOM 2000 N3 DA C 24 23.630 -5.016 33.472 1.00 99.12 N ATOM 2001 C4 DA C 24 24.319 -6.054 33.952 1.00 97.46 C ATOM 2002 P DT C 25 28.971 -1.885 32.631 1.00104.99 P ATOM 2003 OP1 DT C 25 29.440 -0.936 31.587 1.00105.57 O ATOM 2004 OP2 DT C 25 29.698 -2.012 33.916 1.00103.33 O ATOM 2005 O5' DT C 25 27.435 -1.574 32.943 1.00102.46 O ATOM 2006 C5' DT C 25 26.479 -1.619 31.901 1.00 98.72 C ATOM 2007 C4' DT C 25 25.212 -1.096 32.487 1.00 95.11 C ATOM 2008 O4' DT C 25 24.658 -2.167 33.280 1.00 92.04 O ATOM 2009 C3' DT C 25 25.516 0.090 33.392 1.00 92.51 C ATOM 2010 O3' DT C 25 24.838 1.219 32.929 1.00 93.40 O ATOM 2011 C2' DT C 25 25.088 -0.415 34.767 1.00 91.95 C ATOM 2012 C1' DT C 25 24.132 -1.538 34.438 1.00 91.64 C ATOM 2013 N1 DT C 25 23.945 -2.531 35.546 1.00 91.04 N ATOM 2014 C2 DT C 25 22.681 -2.766 36.042 1.00 89.35 C ATOM 2015 O2 DT C 25 21.709 -2.198 35.651 1.00 92.38 O ATOM 2016 N3 DT C 25 22.543 -3.679 37.027 1.00 87.82 N ATOM 2017 C4 DT C 25 23.588 -4.376 37.561 1.00 90.15 C ATOM 2018 O4 DT C 25 23.341 -5.167 38.440 1.00 91.27 O ATOM 2019 C5 DT C 25 24.925 -4.134 37.033 1.00 91.84 C ATOM 2020 C7 DT C 25 25.998 -5.182 37.178 1.00 88.44 C ATOM 2021 C6 DT C 25 25.034 -3.214 36.056 1.00 93.23 C ATOM 2022 P DT C 26 24.656 2.484 33.897 1.00 98.05 P ATOM 2023 OP1 DT C 26 24.443 3.706 33.065 1.00 98.24 O ATOM 2024 OP2 DT C 26 25.742 2.433 34.895 1.00 96.10 O ATOM 2025 O5' DT C 26 23.290 2.203 34.693 1.00100.71 O ATOM 2026 C5' DT C 26 22.115 1.744 33.977 1.00101.24 C ATOM 2027 C4' DT C 26 20.751 2.020 34.615 1.00 99.25 C ATOM 2028 O4' DT C 26 20.496 1.016 35.622 1.00 96.77 O ATOM 2029 C3' DT C 26 20.520 3.366 35.322 1.00 98.31 C ATOM 2030 O3' DT C 26 19.134 3.707 35.165 1.00 98.43 O ATOM 2031 C2' DT C 26 20.936 3.074 36.775 1.00 96.05 C ATOM 2032 C1' DT C 26 20.461 1.631 36.921 1.00 93.15 C ATOM 2033 N1 DT C 26 21.255 0.705 37.752 1.00 88.49 N ATOM 2034 C2 DT C 26 20.565 -0.193 38.545 1.00 83.08 C ATOM 2035 O2 DT C 26 19.359 -0.219 38.660 1.00 79.01 O ATOM 2036 N3 DT C 26 21.388 -1.042 39.227 1.00 85.13 N ATOM 2037 C4 DT C 26 22.792 -1.097 39.201 1.00 88.44 C ATOM 2038 O4 DT C 26 23.455 -1.905 39.860 1.00 88.26 O ATOM 2039 C5 DT C 26 23.451 -0.151 38.329 1.00 85.76 C ATOM 2040 C7 DT C 26 24.955 -0.038 38.389 1.00 79.33 C ATOM 2041 C6 DT C 26 22.647 0.690 37.635 1.00 87.38 C ATOM 2042 P DT C 27 18.537 5.025 35.822 1.00 99.49 P ATOM 2043 OP1 DT C 27 17.559 5.628 34.892 1.00 97.81 O ATOM 2044 OP2 DT C 27 19.656 5.839 36.366 1.00 99.06 O ATOM 2045 O5' DT C 27 17.730 4.440 37.070 1.00100.57 O ATOM 2046 C5' DT C 27 17.022 3.172 37.004 1.00 99.79 C ATOM 2047 C4' DT C 27 16.597 2.603 38.380 1.00 96.85 C ATOM 2048 O4' DT C 27 17.607 1.721 38.957 1.00 92.58 O ATOM 2049 C3' DT C 27 16.254 3.636 39.452 1.00 95.01 C ATOM 2050 O3' DT C 27 14.903 3.517 39.756 1.00 96.17 O ATOM 2051 C2' DT C 27 17.114 3.305 40.664 1.00 93.32 C ATOM 2052 C1' DT C 27 17.589 1.896 40.359 1.00 93.50 C ATOM 2053 N1 DT C 27 18.951 1.625 40.852 1.00 92.67 N ATOM 2054 C2 DT C 27 19.136 0.633 41.787 1.00 93.76 C ATOM 2055 O2 DT C 27 18.208 -0.054 42.248 1.00 91.92 O ATOM 2056 N3 DT C 27 20.473 0.493 42.146 1.00 94.94 N ATOM 2057 C4 DT C 27 21.579 1.213 41.648 1.00 95.40 C ATOM 2058 O4 DT C 27 22.749 1.014 42.011 1.00 94.36 O ATOM 2059 C5 DT C 27 21.292 2.238 40.664 1.00 95.09 C ATOM 2060 C7 DT C 27 22.410 3.029 39.987 1.00 91.93 C ATOM 2061 C6 DT C 27 19.996 2.367 40.328 1.00 94.71 C TER 2062 DT C 27 ATOM 2063 O5' DA D 1 20.865 -6.654 50.559 1.00101.39 O ATOM 2064 C5' DA D 1 19.622 -7.266 50.166 1.00103.22 C ATOM 2065 C4' DA D 1 19.205 -6.994 48.716 1.00103.11 C ATOM 2066 O4' DA D 1 19.967 -5.913 48.094 1.00101.29 O ATOM 2067 C3' DA D 1 19.331 -8.198 47.764 1.00103.27 C ATOM 2068 O3' DA D 1 18.104 -8.462 47.031 1.00102.66 O ATOM 2069 C2' DA D 1 20.459 -7.726 46.837 1.00102.90 C ATOM 2070 C1' DA D 1 20.083 -6.252 46.721 1.00101.73 C ATOM 2071 N9 DA D 1 20.991 -5.337 46.006 1.00100.15 N ATOM 2072 C8 DA D 1 22.357 -5.350 45.895 1.00 99.88 C ATOM 2073 N7 DA D 1 22.845 -4.364 45.181 1.00 98.25 N ATOM 2074 C5 DA D 1 21.721 -3.653 44.782 1.00 99.68 C ATOM 2075 C6 DA D 1 21.508 -2.483 43.979 1.00101.70 C ATOM 2076 N6 DA D 1 22.459 -1.753 43.394 1.00100.79 N ATOM 2077 N1 DA D 1 20.234 -2.060 43.782 1.00102.30 N ATOM 2078 C2 DA D 1 19.227 -2.757 44.352 1.00101.86 C ATOM 2079 N3 DA D 1 19.300 -3.865 45.104 1.00100.87 N ATOM 2080 C4 DA D 1 20.578 -4.255 45.286 1.00 99.23 C ATOM 2081 P DA D 2 16.771 -9.065 47.690 1.00100.70 P ATOM 2082 OP1 DA D 2 16.490 -8.373 48.977 1.00 98.42 O ATOM 2083 OP2 DA D 2 16.865 -10.548 47.672 1.00 98.66 O ATOM 2084 O5' DA D 2 15.739 -8.492 46.616 1.00 94.15 O ATOM 2085 C5' DA D 2 15.611 -7.097 46.702 1.00 91.68 C ATOM 2086 C4' DA D 2 15.103 -6.465 45.430 1.00 92.21 C ATOM 2087 O4' DA D 2 16.158 -5.660 44.809 1.00 91.51 O ATOM 2088 C3' DA D 2 14.538 -7.418 44.375 1.00 90.54 C ATOM 2089 O3' DA D 2 13.216 -6.961 44.075 1.00 90.84 O ATOM 2090 C2' DA D 2 15.572 -7.310 43.261 1.00 90.45 C ATOM 2091 C1' DA D 2 16.178 -5.912 43.438 1.00 88.31 C ATOM 2092 N9 DA D 2 17.563 -5.826 43.011 1.00 88.97 N ATOM 2093 C8 DA D 2 18.549 -6.756 43.251 1.00 88.40 C ATOM 2094 N7 DA D 2 19.707 -6.436 42.714 1.00 89.41 N ATOM 2095 C5 DA D 2 19.462 -5.219 42.083 1.00 88.08 C ATOM 2096 C6 DA D 2 20.275 -4.352 41.357 1.00 84.13 C ATOM 2097 N6 DA D 2 21.554 -4.571 41.115 1.00 85.80 N ATOM 2098 N1 DA D 2 19.726 -3.243 40.877 1.00 86.13 N ATOM 2099 C2 DA D 2 18.441 -2.969 41.090 1.00 87.70 C ATOM 2100 N3 DA D 2 17.564 -3.699 41.762 1.00 89.97 N ATOM 2101 C4 DA D 2 18.143 -4.825 42.248 1.00 90.11 C ATOM 2102 P DA D 3 12.414 -7.061 42.688 1.00 93.98 P ATOM 2103 OP1 DA D 3 11.045 -6.553 43.027 1.00 88.81 O ATOM 2104 OP2 DA D 3 12.663 -8.415 42.090 1.00 92.89 O ATOM 2105 O5' DA D 3 13.132 -6.019 41.700 1.00 93.50 O ATOM 2106 C5' DA D 3 12.929 -4.613 41.894 1.00 94.73 C ATOM 2107 C4' DA D 3 13.167 -3.871 40.596 1.00 93.35 C ATOM 2108 O4' DA D 3 14.589 -3.908 40.286 1.00 91.95 O ATOM 2109 C3' DA D 3 12.422 -4.486 39.417 1.00 93.10 C ATOM 2110 O3' DA D 3 11.863 -3.425 38.591 1.00 94.74 O ATOM 2111 C2' DA D 3 13.504 -5.370 38.781 1.00 92.30 C ATOM 2112 C1' DA D 3 14.788 -4.594 39.070 1.00 89.59 C ATOM 2113 N9 DA D 3 16.011 -5.404 39.117 1.00 88.10 N ATOM 2114 C8 DA D 3 16.212 -6.711 39.497 1.00 86.51 C ATOM 2115 N7 DA D 3 17.467 -7.100 39.387 1.00 84.75 N ATOM 2116 C5 DA D 3 18.107 -5.976 38.913 1.00 85.09 C ATOM 2117 C6 DA D 3 19.432 -5.712 38.571 1.00 86.69 C ATOM 2118 N6 DA D 3 20.356 -6.637 38.694 1.00 86.78 N ATOM 2119 N1 DA D 3 19.780 -4.488 38.108 1.00 87.27 N ATOM 2120 C2 DA D 3 18.816 -3.565 38.002 1.00 86.74 C ATOM 2121 N3 DA D 3 17.512 -3.685 38.289 1.00 86.16 N ATOM 2122 C4 DA D 3 17.234 -4.927 38.735 1.00 86.60 C ATOM 2123 P DT D 4 11.179 -3.712 37.155 1.00 93.62 P ATOM 2124 OP1 DT D 4 10.165 -2.664 36.891 1.00 90.12 O ATOM 2125 OP2 DT D 4 10.884 -5.169 37.086 1.00 91.82 O ATOM 2126 O5' DT D 4 12.387 -3.413 36.165 1.00 94.60 O ATOM 2127 C5' DT D 4 12.987 -2.116 36.218 1.00 95.46 C ATOM 2128 C4' DT D 4 14.220 -2.062 35.341 1.00 94.73 C ATOM 2129 O4' DT D 4 15.169 -3.072 35.752 1.00 94.91 O ATOM 2130 C3' DT D 4 13.912 -2.362 33.888 1.00 96.05 C ATOM 2131 O3' DT D 4 14.282 -1.209 33.102 1.00 98.68 O ATOM 2132 C2' DT D 4 14.679 -3.670 33.609 1.00 94.92 C ATOM 2133 C1' DT D 4 15.816 -3.558 34.597 1.00 93.55 C ATOM 2134 N1 DT D 4 16.544 -4.799 34.969 1.00 92.73 N ATOM 2135 C2 DT D 4 17.931 -4.822 34.924 1.00 92.27 C ATOM 2136 O2 DT D 4 18.614 -3.886 34.564 1.00 91.58 O ATOM 2137 N3 DT D 4 18.513 -6.002 35.306 1.00 92.85 N ATOM 2138 C4 DT D 4 17.830 -7.125 35.745 1.00 93.81 C ATOM 2139 O4 DT D 4 18.406 -8.140 36.090 1.00 93.84 O ATOM 2140 C5 DT D 4 16.392 -7.047 35.797 1.00 94.06 C ATOM 2141 C7 DT D 4 15.640 -8.146 36.503 1.00 94.38 C ATOM 2142 C6 DT D 4 15.818 -5.891 35.411 1.00 94.06 C ATOM 2143 P DT D 5 14.068 -1.137 31.488 1.00100.06 P ATOM 2144 OP1 DT D 5 13.847 0.340 31.256 1.00 99.53 O ATOM 2145 OP2 DT D 5 13.123 -2.202 31.028 1.00 94.93 O ATOM 2146 O5' DT D 5 15.515 -1.546 30.911 1.00 94.15 O ATOM 2147 C5' DT D 5 16.605 -0.657 31.164 1.00 90.65 C ATOM 2148 C4' DT D 5 17.891 -1.238 30.657 1.00 90.83 C ATOM 2149 O4' DT D 5 18.148 -2.495 31.345 1.00 88.60 O ATOM 2150 C3' DT D 5 17.827 -1.569 29.166 1.00 92.79 C ATOM 2151 O3' DT D 5 19.069 -1.323 28.556 1.00 94.62 O ATOM 2152 C2' DT D 5 17.529 -3.060 29.171 1.00 91.39 C ATOM 2153 C1' DT D 5 18.438 -3.432 30.346 1.00 86.79 C ATOM 2154 N1 DT D 5 18.237 -4.730 30.896 1.00 81.90 N ATOM 2155 C2 DT D 5 19.361 -5.441 31.185 1.00 82.87 C ATOM 2156 O2 DT D 5 20.479 -4.997 31.001 1.00 84.08 O ATOM 2157 N3 DT D 5 19.137 -6.683 31.714 1.00 83.67 N ATOM 2158 C4 DT D 5 17.898 -7.250 31.946 1.00 83.60 C ATOM 2159 O4 DT D 5 17.764 -8.368 32.420 1.00 82.52 O ATOM 2160 C5 DT D 5 16.763 -6.436 31.616 1.00 83.85 C ATOM 2161 C7 DT D 5 15.424 -6.874 32.126 1.00 84.87 C ATOM 2162 C6 DT D 5 16.974 -5.212 31.108 1.00 82.02 C ATOM 2163 P DT D 6 19.038 -0.925 27.033 1.00 93.74 P ATOM 2164 OP1 DT D 6 18.987 0.580 26.986 1.00 88.66 O ATOM 2165 OP2 DT D 6 18.115 -1.879 26.375 1.00 86.09 O ATOM 2166 O5' DT D 6 20.503 -1.368 26.593 1.00 96.25 O ATOM 2167 C5' DT D 6 21.658 -1.331 27.467 1.00 94.24 C ATOM 2168 C4' DT D 6 22.243 -2.748 27.512 1.00 94.24 C ATOM 2169 O4' DT D 6 21.224 -3.690 27.938 1.00 91.60 O ATOM 2170 C3' DT D 6 22.770 -3.392 26.207 1.00 93.51 C ATOM 2171 O3' DT D 6 24.221 -3.365 26.135 1.00 97.73 O ATOM 2172 C2' DT D 6 22.272 -4.843 26.251 1.00 90.28 C ATOM 2173 C1' DT D 6 21.746 -4.976 27.662 1.00 89.05 C ATOM 2174 N1 DT D 6 20.705 -5.988 27.902 1.00 86.33 N ATOM 2175 C2 DT D 6 21.062 -7.272 28.165 1.00 89.46 C ATOM 2176 O2 DT D 6 22.221 -7.655 28.184 1.00 89.89 O ATOM 2177 N3 DT D 6 19.998 -8.118 28.405 1.00 92.16 N ATOM 2178 C4 DT D 6 18.642 -7.814 28.413 1.00 90.50 C ATOM 2179 O4 DT D 6 17.738 -8.636 28.630 1.00 88.51 O ATOM 2180 C5 DT D 6 18.372 -6.438 28.140 1.00 89.60 C ATOM 2181 C7 DT D 6 16.946 -5.965 28.101 1.00 92.19 C ATOM 2182 C6 DT D 6 19.394 -5.612 27.902 1.00 87.65 C ATOM 2183 P DG D 7 25.090 -3.063 24.809 1.00100.82 P ATOM 2184 OP1 DG D 7 26.456 -2.653 25.221 1.00 99.67 O ATOM 2185 OP2 DG D 7 24.253 -2.176 23.938 1.00 94.76 O ATOM 2186 O5' DG D 7 25.316 -4.535 24.211 1.00 98.53 O ATOM 2187 C5' DG D 7 26.238 -5.356 24.900 1.00 98.46 C ATOM 2188 C4' DG D 7 26.014 -6.838 24.683 1.00 99.36 C ATOM 2189 O4' DG D 7 24.775 -7.289 25.300 1.00 99.01 O ATOM 2190 C3' DG D 7 25.940 -7.286 23.227 1.00100.40 C ATOM 2191 O3' DG D 7 26.801 -8.382 23.095 1.00103.95 O ATOM 2192 C2' DG D 7 24.493 -7.717 23.039 1.00 98.64 C ATOM 2193 C1' DG D 7 24.185 -8.249 24.431 1.00 96.98 C ATOM 2194 N9 DG D 7 22.754 -8.429 24.722 1.00 96.57 N ATOM 2195 C8 DG D 7 21.672 -7.572 24.544 1.00 96.50 C ATOM 2196 N7 DG D 7 20.512 -8.056 24.926 1.00 95.22 N ATOM 2197 C5 DG D 7 20.854 -9.329 25.381 1.00 96.69 C ATOM 2198 C6 DG D 7 20.065 -10.375 25.920 1.00 96.05 C ATOM 2199 O6 DG D 7 18.844 -10.418 26.112 1.00 96.37 O ATOM 2200 N1 DG D 7 20.824 -11.486 26.240 1.00 94.78 N ATOM 2201 C2 DG D 7 22.184 -11.562 26.074 1.00 95.35 C ATOM 2202 N2 DG D 7 22.790 -12.711 26.431 1.00 97.09 N ATOM 2203 N3 DG D 7 22.933 -10.611 25.578 1.00 93.97 N ATOM 2204 C4 DG D 7 22.212 -9.545 25.264 1.00 94.88 C ATOM 2205 P DC D 8 27.416 -8.853 21.703 1.00107.92 P ATOM 2206 OP1 DC D 8 28.347 -9.963 22.060 1.00104.71 O ATOM 2207 OP2 DC D 8 27.828 -7.662 20.911 1.00109.66 O ATOM 2208 O5' DC D 8 26.148 -9.385 20.896 1.00108.57 O ATOM 2209 C5' DC D 8 26.162 -10.680 20.324 1.00107.82 C ATOM 2210 C4' DC D 8 25.845 -11.756 21.360 1.00104.95 C ATOM 2211 O4' DC D 8 24.927 -11.258 22.358 1.00103.44 O ATOM 2212 C3' DC D 8 25.127 -12.935 20.744 1.00103.99 C ATOM 2213 O3' DC D 8 26.070 -13.902 20.347 1.00106.79 O ATOM 2214 C2' DC D 8 24.215 -13.457 21.830 1.00101.41 C ATOM 2215 C1' DC D 8 23.915 -12.216 22.654 1.00 99.67 C ATOM 2216 N1 DC D 8 22.501 -11.643 22.524 1.00 98.37 N ATOM 2217 C2 DC D 8 21.409 -12.476 22.790 1.00 95.85 C ATOM 2218 O2 DC D 8 21.589 -13.650 23.080 1.00 95.12 O ATOM 2219 N3 DC D 8 20.158 -11.992 22.709 1.00 96.42 N ATOM 2220 C4 DC D 8 19.955 -10.724 22.393 1.00 96.70 C ATOM 2221 N4 DC D 8 18.692 -10.323 22.339 1.00 97.57 N ATOM 2222 C5 DC D 8 21.030 -9.831 22.127 1.00 97.07 C ATOM 2223 C6 DC D 8 22.279 -10.326 22.200 1.00 98.48 C ATOM 2224 P DT D 9 25.853 -14.700 18.977 1.00107.88 P ATOM 2225 OP1 DT D 9 27.111 -15.457 18.726 1.00107.58 O ATOM 2226 OP2 DT D 9 25.281 -13.730 17.992 1.00103.59 O ATOM 2227 O5' DT D 9 24.754 -15.796 19.360 1.00104.08 O ATOM 2228 C5' DT D 9 24.942 -16.635 20.484 1.00102.14 C ATOM 2229 C4' DT D 9 23.639 -17.355 20.687 1.00100.89 C ATOM 2230 O4' DT D 9 22.638 -16.400 21.080 1.00100.12 O ATOM 2231 C3' DT D 9 23.123 -17.978 19.406 1.00101.09 C ATOM 2232 O3' DT D 9 23.047 -19.357 19.582 1.00104.74 O ATOM 2233 C2' DT D 9 21.741 -17.394 19.171 1.00100.59 C ATOM 2234 C1' DT D 9 21.396 -16.719 20.485 1.00 99.71 C ATOM 2235 N1 DT D 9 20.544 -15.479 20.284 1.00 99.22 N ATOM 2236 C2 DT D 9 19.174 -15.476 20.567 1.00 98.08 C ATOM 2237 O2 DT D 9 18.527 -16.419 20.987 1.00 96.50 O ATOM 2238 N3 DT D 9 18.535 -14.295 20.316 1.00 97.62 N ATOM 2239 C4 DT D 9 19.135 -13.160 19.838 1.00 97.19 C ATOM 2240 O4 DT D 9 18.468 -12.175 19.671 1.00 98.66 O ATOM 2241 C5 DT D 9 20.545 -13.192 19.567 1.00 96.65 C ATOM 2242 C7 DT D 9 21.327 -11.915 19.570 1.00 95.68 C ATOM 2243 C6 DT D 9 21.171 -14.347 19.788 1.00 98.48 C ATOM 2244 P DC D 10 22.882 -20.325 18.320 1.00107.78 P ATOM 2245 OP1 DC D 10 23.642 -21.580 18.564 1.00106.96 O ATOM 2246 OP2 DC D 10 23.105 -19.521 17.095 1.00107.31 O ATOM 2247 O5' DC D 10 21.324 -20.651 18.415 1.00108.01 O ATOM 2248 C5' DC D 10 20.764 -21.247 19.583 1.00107.37 C ATOM 2249 C4' DC D 10 19.261 -21.275 19.428 1.00106.66 C ATOM 2250 O4' DC D 10 18.819 -19.894 19.489 1.00104.80 O ATOM 2251 C3' DC D 10 18.797 -21.846 18.081 1.00106.82 C ATOM 2252 O3' DC D 10 17.586 -22.607 18.191 1.00109.14 O ATOM 2253 C2' DC D 10 18.601 -20.579 17.261 1.00105.23 C ATOM 2254 C1' DC D 10 18.044 -19.656 18.338 1.00103.28 C ATOM 2255 N1 DC D 10 18.041 -18.193 18.004 1.00101.92 N ATOM 2256 C2 DC D 10 16.894 -17.459 18.337 1.00101.13 C ATOM 2257 O2 DC D 10 15.956 -18.044 18.896 1.00100.19 O ATOM 2258 N3 DC D 10 16.840 -16.134 18.041 1.00100.85 N ATOM 2259 C4 DC D 10 17.871 -15.547 17.434 1.00101.74 C ATOM 2260 N4 DC D 10 17.757 -14.242 17.183 1.00100.64 N ATOM 2261 C5 DC D 10 19.054 -16.277 17.079 1.00101.47 C ATOM 2262 C6 DC D 10 19.094 -17.583 17.373 1.00101.57 C ATOM 2263 P DA D 11 17.126 -23.634 17.030 1.00110.83 P ATOM 2264 OP1 DA D 11 18.014 -24.816 17.113 1.00109.09 O ATOM 2265 OP2 DA D 11 16.982 -22.856 15.769 1.00109.67 O ATOM 2266 O5' DA D 11 15.674 -24.173 17.468 1.00107.54 O ATOM 2267 C5' DA D 11 14.705 -23.386 18.199 1.00103.16 C ATOM 2268 C4' DA D 11 13.767 -22.624 17.290 1.00 99.61 C ATOM 2269 O4' DA D 11 14.326 -21.299 17.248 1.00 96.70 O ATOM 2270 C3' DA D 11 13.685 -23.084 15.824 1.00 99.49 C ATOM 2271 O3' DA D 11 12.558 -23.936 15.414 1.00102.04 O ATOM 2272 C2' DA D 11 13.722 -21.784 15.036 1.00 98.10 C ATOM 2273 C1' DA D 11 13.784 -20.694 16.100 1.00 94.51 C ATOM 2274 N9 DA D 11 14.576 -19.554 15.652 1.00 92.89 N ATOM 2275 C8 DA D 11 15.851 -19.552 15.133 1.00 92.13 C ATOM 2276 N7 DA D 11 16.289 -18.354 14.805 1.00 91.48 N ATOM 2277 C5 DA D 11 15.213 -17.526 15.114 1.00 91.67 C ATOM 2278 C6 DA D 11 15.010 -16.136 14.996 1.00 92.33 C ATOM 2279 N6 DA D 11 15.937 -15.299 14.516 1.00 91.94 N ATOM 2280 N1 DA D 11 13.812 -15.648 15.413 1.00 92.14 N ATOM 2281 C2 DA D 11 12.862 -16.466 15.895 1.00 90.69 C ATOM 2282 N3 DA D 11 12.942 -17.788 16.046 1.00 90.22 N ATOM 2283 C4 DA D 11 14.146 -18.251 15.637 1.00 91.50 C ATOM 2284 P DT D 12 10.972 -23.782 15.645 1.00103.60 P ATOM 2285 OP1 DT D 12 10.673 -24.225 17.022 1.00105.59 O ATOM 2286 OP2 DT D 12 10.282 -24.465 14.522 1.00102.58 O ATOM 2287 O5' DT D 12 10.691 -22.217 15.569 1.00105.23 O ATOM 2288 C5' DT D 12 9.667 -21.611 16.364 1.00106.75 C ATOM 2289 C4' DT D 12 9.012 -20.408 15.669 1.00107.31 C ATOM 2290 O4' DT D 12 10.006 -19.413 15.264 1.00105.50 O ATOM 2291 C3' DT D 12 8.183 -20.759 14.422 1.00107.13 C ATOM 2292 O3' DT D 12 6.845 -20.197 14.499 1.00106.46 O ATOM 2293 C2' DT D 12 9.033 -20.189 13.281 1.00106.86 C ATOM 2294 C1' DT D 12 9.746 -19.010 13.932 1.00105.40 C ATOM 2295 N1 DT D 12 11.043 -18.571 13.296 1.00105.11 N ATOM 2296 C2 DT D 12 11.240 -17.211 13.089 1.00106.57 C ATOM 2297 O2 DT D 12 10.428 -16.338 13.381 1.00107.13 O ATOM 2298 N3 DT D 12 12.457 -16.874 12.540 1.00106.22 N ATOM 2299 C4 DT D 12 13.458 -17.747 12.147 1.00105.87 C ATOM 2300 O4 DT D 12 14.502 -17.324 11.653 1.00106.76 O ATOM 2301 C5 DT D 12 13.213 -19.156 12.387 1.00104.61 C ATOM 2302 C7 DT D 12 14.326 -20.149 12.179 1.00100.01 C ATOM 2303 C6 DT D 12 12.029 -19.492 12.942 1.00103.95 C ATOM 2304 P DT D 13 5.682 -20.508 13.424 1.00106.22 P ATOM 2305 OP1 DT D 13 4.638 -21.251 14.160 1.00106.36 O ATOM 2306 OP2 DT D 13 6.284 -21.111 12.211 1.00103.32 O ATOM 2307 O5' DT D 13 5.097 -19.060 13.033 1.00102.87 O ATOM 2308 C5' DT D 13 5.130 -17.967 13.978 1.00100.82 C ATOM 2309 C4' DT D 13 5.253 -16.599 13.314 1.00 98.74 C ATOM 2310 O4' DT D 13 6.603 -16.356 12.823 1.00 96.54 O ATOM 2311 C3' DT D 13 4.340 -16.387 12.099 1.00 98.32 C ATOM 2312 O3' DT D 13 3.798 -15.055 12.115 1.00 99.45 O ATOM 2313 C2' DT D 13 5.268 -16.630 10.910 1.00 96.21 C ATOM 2314 C1' DT D 13 6.518 -15.947 11.449 1.00 94.75 C ATOM 2315 N1 DT D 13 7.807 -16.289 10.777 1.00 92.55 N ATOM 2316 C2 DT D 13 8.704 -15.289 10.433 1.00 91.55 C ATOM 2317 O2 DT D 13 8.527 -14.097 10.614 1.00 90.50 O ATOM 2318 N3 DT D 13 9.863 -15.750 9.865 1.00 92.06 N ATOM 2319 C4 DT D 13 10.177 -17.090 9.619 1.00 91.97 C ATOM 2320 O4 DT D 13 11.229 -17.444 9.107 1.00 92.49 O ATOM 2321 C5 DT D 13 9.210 -18.079 9.991 1.00 89.37 C ATOM 2322 C7 DT D 13 9.224 -19.372 9.240 1.00 86.28 C ATOM 2323 C6 DT D 13 8.089 -17.631 10.563 1.00 91.05 C ATOM 2324 P DT D 14 2.678 -14.584 11.064 1.00101.88 P ATOM 2325 OP1 DT D 14 1.603 -13.924 11.833 1.00102.78 O ATOM 2326 OP2 DT D 14 2.395 -15.692 10.111 1.00100.19 O ATOM 2327 O5' DT D 14 3.385 -13.433 10.231 1.00100.42 O ATOM 2328 C5' DT D 14 4.184 -12.450 10.832 1.00 97.25 C ATOM 2329 C4' DT D 14 5.016 -11.866 9.717 1.00 96.01 C ATOM 2330 O4' DT D 14 6.043 -12.806 9.300 1.00 94.90 O ATOM 2331 C3' DT D 14 4.236 -11.534 8.446 1.00 95.68 C ATOM 2332 O3' DT D 14 4.480 -10.142 8.223 1.00 98.57 O ATOM 2333 C2' DT D 14 4.819 -12.515 7.412 1.00 93.16 C ATOM 2334 C1' DT D 14 6.255 -12.632 7.917 1.00 90.89 C ATOM 2335 N1 DT D 14 7.128 -13.762 7.419 1.00 87.73 N ATOM 2336 C2 DT D 14 8.398 -13.509 6.867 1.00 84.95 C ATOM 2337 O2 DT D 14 8.919 -12.432 6.691 1.00 82.82 O ATOM 2338 N3 DT D 14 9.098 -14.593 6.458 1.00 84.77 N ATOM 2339 C4 DT D 14 8.651 -15.887 6.572 1.00 87.64 C ATOM 2340 O4 DT D 14 9.350 -16.803 6.174 1.00 88.91 O ATOM 2341 C5 DT D 14 7.340 -16.120 7.143 1.00 86.52 C ATOM 2342 C7 DT D 14 6.698 -17.475 6.935 1.00 88.04 C ATOM 2343 C6 DT D 14 6.644 -15.047 7.549 1.00 85.73 C ATOM 2344 P DA D 15 3.659 -9.201 7.219 1.00 99.13 P ATOM 2345 OP1 DA D 15 3.352 -7.968 7.983 1.00 98.26 O ATOM 2346 OP2 DA D 15 2.627 -10.016 6.500 1.00 96.45 O ATOM 2347 O5' DA D 15 4.822 -8.718 6.228 1.00 95.58 O ATOM 2348 C5' DA D 15 5.939 -7.965 6.711 1.00 92.38 C ATOM 2349 C4' DA D 15 7.098 -8.154 5.748 1.00 92.19 C ATOM 2350 O4' DA D 15 7.351 -9.556 5.503 1.00 91.52 O ATOM 2351 C3' DA D 15 6.836 -7.609 4.348 1.00 92.85 C ATOM 2352 O3' DA D 15 7.768 -6.609 4.096 1.00 93.72 O ATOM 2353 C2' DA D 15 6.950 -8.784 3.366 1.00 90.18 C ATOM 2354 C1' DA D 15 7.791 -9.742 4.168 1.00 88.31 C ATOM 2355 N9 DA D 15 7.626 -11.158 3.919 1.00 85.99 N ATOM 2356 C8 DA D 15 6.508 -11.888 4.175 1.00 86.68 C ATOM 2357 N7 DA D 15 6.636 -13.172 3.897 1.00 87.52 N ATOM 2358 C5 DA D 15 7.938 -13.286 3.446 1.00 86.31 C ATOM 2359 C6 DA D 15 8.680 -14.399 2.994 1.00 85.57 C ATOM 2360 N6 DA D 15 8.194 -15.629 2.941 1.00 84.86 N ATOM 2361 N1 DA D 15 9.945 -14.180 2.603 1.00 86.63 N ATOM 2362 C2 DA D 15 10.419 -12.911 2.672 1.00 87.63 C ATOM 2363 N3 DA D 15 9.823 -11.779 3.081 1.00 85.28 N ATOM 2364 C4 DA D 15 8.564 -12.043 3.459 1.00 85.59 C ATOM 2365 P DA D 16 7.655 -5.773 2.763 1.00 94.31 P ATOM 2366 OP1 DA D 16 8.218 -4.442 3.131 1.00 94.98 O ATOM 2367 OP2 DA D 16 6.340 -5.950 2.082 1.00 92.39 O ATOM 2368 O5' DA D 16 8.731 -6.590 1.904 1.00 94.03 O ATOM 2369 C5' DA D 16 10.110 -6.380 2.248 1.00 91.05 C ATOM 2370 C4' DA D 16 10.991 -7.117 1.280 1.00 89.04 C ATOM 2371 O4' DA D 16 10.683 -8.534 1.328 1.00 88.81 O ATOM 2372 C3' DA D 16 10.768 -6.659 -0.155 1.00 88.06 C ATOM 2373 O3' DA D 16 12.046 -6.389 -0.714 1.00 88.38 O ATOM 2374 C2' DA D 16 9.998 -7.826 -0.776 1.00 86.68 C ATOM 2375 C1' DA D 16 10.492 -9.041 0.020 1.00 83.58 C ATOM 2376 N9 DA D 16 9.569 -10.179 0.066 1.00 80.86 N ATOM 2377 C8 DA D 16 8.244 -10.127 0.395 1.00 82.36 C ATOM 2378 N7 DA D 16 7.581 -11.273 0.347 1.00 82.34 N ATOM 2379 C5 DA D 16 8.565 -12.149 -0.041 1.00 82.32 C ATOM 2380 C6 DA D 16 8.502 -13.529 -0.236 1.00 80.52 C ATOM 2381 N6 DA D 16 7.377 -14.236 -0.074 1.00 79.44 N ATOM 2382 N1 DA D 16 9.662 -14.116 -0.595 1.00 81.78 N ATOM 2383 C2 DA D 16 10.789 -13.392 -0.759 1.00 82.44 C ATOM 2384 N3 DA D 16 10.969 -12.081 -0.590 1.00 81.33 N ATOM 2385 C4 DA D 16 9.802 -11.507 -0.220 1.00 82.15 C ATOM 2386 P DC D 17 12.169 -5.863 -2.188 1.00 86.22 P ATOM 2387 OP1 DC D 17 13.509 -5.225 -2.526 1.00 85.05 O ATOM 2388 OP2 DC D 17 10.855 -5.172 -2.336 1.00 79.72 O ATOM 2389 O5' DC D 17 12.207 -7.307 -2.896 1.00 85.22 O ATOM 2390 C5' DC D 17 13.431 -8.015 -2.752 1.00 85.85 C ATOM 2391 C4' DC D 17 13.431 -9.377 -3.403 1.00 87.44 C ATOM 2392 O4' DC D 17 12.353 -10.186 -2.904 1.00 87.76 O ATOM 2393 C3' DC D 17 13.157 -9.386 -4.873 1.00 89.88 C ATOM 2394 O3' DC D 17 14.378 -9.247 -5.612 1.00 98.30 O ATOM 2395 C2' DC D 17 12.576 -10.787 -5.076 1.00 88.01 C ATOM 2396 C1' DC D 17 12.104 -11.282 -3.740 1.00 81.24 C ATOM 2397 N1 DC D 17 10.658 -11.598 -3.643 1.00 77.50 N ATOM 2398 C2 DC D 17 10.230 -12.914 -3.740 1.00 74.55 C ATOM 2399 O2 DC D 17 11.055 -13.801 -3.912 1.00 75.26 O ATOM 2400 N3 DC D 17 8.914 -13.174 -3.645 1.00 74.94 N ATOM 2401 C4 DC D 17 8.040 -12.185 -3.436 1.00 78.31 C ATOM 2402 N4 DC D 17 6.752 -12.512 -3.337 1.00 78.40 N ATOM 2403 C5 DC D 17 8.437 -10.817 -3.343 1.00 77.64 C ATOM 2404 C6 DC D 17 9.751 -10.573 -3.466 1.00 78.57 C ATOM 2405 P DA D 18 14.368 -8.718 -7.138 1.00103.92 P ATOM 2406 OP1 DA D 18 15.069 -7.384 -7.104 1.00105.35 O ATOM 2407 OP2 DA D 18 12.965 -8.727 -7.632 1.00100.61 O ATOM 2408 O5' DA D 18 15.158 -9.874 -7.957 1.00 99.34 O ATOM 2409 C5' DA D 18 15.617 -11.091 -7.348 1.00 96.83 C ATOM 2410 C4' DA D 18 15.126 -12.335 -8.081 1.00 96.06 C ATOM 2411 O4' DA D 18 13.800 -12.720 -7.635 1.00 93.42 O ATOM 2412 C3' DA D 18 15.005 -12.244 -9.594 1.00 96.03 C ATOM 2413 O3' DA D 18 15.453 -13.479 -10.149 1.00100.59 O ATOM 2414 C2' DA D 18 13.510 -12.003 -9.813 1.00 94.39 C ATOM 2415 C1' DA D 18 12.960 -12.930 -8.746 1.00 91.04 C ATOM 2416 N9 DA D 18 11.606 -12.678 -8.282 1.00 88.59 N ATOM 2417 C8 DA D 18 11.006 -11.502 -7.943 1.00 87.63 C ATOM 2418 N7 DA D 18 9.769 -11.626 -7.532 1.00 86.80 N ATOM 2419 C5 DA D 18 9.541 -12.998 -7.619 1.00 89.02 C ATOM 2420 C6 DA D 18 8.422 -13.853 -7.362 1.00 89.60 C ATOM 2421 N6 DA D 18 7.212 -13.493 -6.916 1.00 88.07 N ATOM 2422 N1 DA D 18 8.580 -15.174 -7.608 1.00 89.98 N ATOM 2423 C2 DA D 18 9.760 -15.643 -8.045 1.00 89.99 C ATOM 2424 N3 DA D 18 10.863 -14.945 -8.313 1.00 90.71 N ATOM 2425 C4 DA D 18 10.678 -13.636 -8.083 1.00 88.55 C ATOM 2426 P DA D 19 15.457 -13.684 -11.745 1.00103.40 P ATOM 2427 OP1 DA D 19 16.675 -14.450 -12.090 1.00 99.04 O ATOM 2428 OP2 DA D 19 15.112 -12.355 -12.339 1.00102.42 O ATOM 2429 O5' DA D 19 14.196 -14.620 -12.024 1.00102.81 O ATOM 2430 C5' DA D 19 14.026 -15.900 -11.383 1.00104.24 C ATOM 2431 C4' DA D 19 12.951 -16.703 -12.115 1.00104.38 C ATOM 2432 O4' DA D 19 11.606 -16.460 -11.582 1.00103.29 O ATOM 2433 C3' DA D 19 12.834 -16.400 -13.622 1.00104.14 C ATOM 2434 O3' DA D 19 12.455 -17.583 -14.275 1.00107.10 O ATOM 2435 C2' DA D 19 11.750 -15.332 -13.694 1.00102.11 C ATOM 2436 C1' DA D 19 10.807 -15.813 -12.585 1.00 99.11 C ATOM 2437 N9 DA D 19 9.998 -14.743 -11.991 1.00 97.94 N ATOM 2438 C8 DA D 19 10.264 -13.397 -11.884 1.00 96.15 C ATOM 2439 N7 DA D 19 9.307 -12.737 -11.282 1.00 95.64 N ATOM 2440 C5 DA D 19 8.370 -13.704 -10.991 1.00 95.44 C ATOM 2441 C6 DA D 19 7.126 -13.663 -10.364 1.00 95.35 C ATOM 2442 N6 DA D 19 6.572 -12.560 -9.906 1.00 94.52 N ATOM 2443 N1 DA D 19 6.462 -14.816 -10.222 1.00 96.12 N ATOM 2444 C2 DA D 19 7.001 -15.941 -10.695 1.00 95.31 C ATOM 2445 N3 DA D 19 8.159 -16.115 -11.306 1.00 93.47 N ATOM 2446 C4 DA D 19 8.785 -14.945 -11.416 1.00 95.86 C ATOM 2447 P DA D 20 12.474 -17.779 -15.858 1.00109.82 P ATOM 2448 OP1 DA D 20 13.348 -18.944 -16.137 1.00109.59 O ATOM 2449 OP2 DA D 20 12.615 -16.451 -16.518 1.00110.24 O ATOM 2450 O5' DA D 20 10.998 -18.279 -16.165 1.00105.02 O ATOM 2451 C5' DA D 20 9.972 -17.469 -15.701 1.00101.45 C ATOM 2452 C4' DA D 20 8.784 -18.344 -15.490 1.00 97.66 C ATOM 2453 O4' DA D 20 8.051 -17.804 -14.375 1.00 96.39 O ATOM 2454 C3' DA D 20 7.930 -18.272 -16.728 1.00 96.44 C ATOM 2455 O3' DA D 20 7.261 -19.484 -17.006 1.00 96.32 O ATOM 2456 C2' DA D 20 6.994 -17.126 -16.399 1.00 95.36 C ATOM 2457 C1' DA D 20 6.949 -17.072 -14.876 1.00 94.59 C ATOM 2458 N9 DA D 20 6.911 -15.665 -14.482 1.00 94.41 N ATOM 2459 C8 DA D 20 7.884 -14.733 -14.693 1.00 93.81 C ATOM 2460 N7 DA D 20 7.533 -13.546 -14.264 1.00 94.79 N ATOM 2461 C5 DA D 20 6.254 -13.716 -13.765 1.00 93.63 C ATOM 2462 C6 DA D 20 5.335 -12.839 -13.185 1.00 92.50 C ATOM 2463 N6 DA D 20 5.621 -11.561 -13.011 1.00 91.66 N ATOM 2464 N1 DA D 20 4.133 -13.330 -12.804 1.00 93.15 N ATOM 2465 C2 DA D 20 3.832 -14.622 -12.975 1.00 91.45 C ATOM 2466 N3 DA D 20 4.635 -15.525 -13.510 1.00 91.10 N ATOM 2467 C4 DA D 20 5.834 -15.016 -13.895 1.00 93.84 C ATOM 2468 P DC D 21 6.882 -19.837 -18.526 1.00 95.89 P ATOM 2469 OP1 DC D 21 6.622 -21.300 -18.595 1.00 96.92 O ATOM 2470 OP2 DC D 21 7.871 -19.211 -19.442 1.00 94.85 O ATOM 2471 O5' DC D 21 5.514 -19.040 -18.722 1.00 94.35 O ATOM 2472 C5' DC D 21 4.388 -19.385 -17.942 1.00 94.61 C ATOM 2473 C4' DC D 21 3.247 -18.437 -18.246 1.00 95.27 C ATOM 2474 O4' DC D 21 3.327 -17.226 -17.428 1.00 96.55 O ATOM 2475 C3' DC D 21 3.214 -17.974 -19.693 1.00 95.14 C ATOM 2476 O3' DC D 21 1.894 -18.021 -20.121 1.00 95.63 O ATOM 2477 C2' DC D 21 3.732 -16.542 -19.625 1.00 96.04 C ATOM 2478 C1' DC D 21 3.221 -16.083 -18.256 1.00 95.65 C ATOM 2479 N1 DC D 21 3.940 -14.902 -17.615 1.00 95.39 N ATOM 2480 C2 DC D 21 3.200 -13.981 -16.871 1.00 95.16 C ATOM 2481 O2 DC D 21 1.986 -14.146 -16.748 1.00 94.83 O ATOM 2482 N3 DC D 21 3.837 -12.924 -16.302 1.00 95.71 N ATOM 2483 C4 DC D 21 5.144 -12.758 -16.435 1.00 94.40 C ATOM 2484 N4 DC D 21 5.672 -11.707 -15.845 1.00 94.38 N ATOM 2485 C5 DC D 21 5.942 -13.667 -17.173 1.00 95.92 C ATOM 2486 C6 DC D 21 5.298 -14.706 -17.744 1.00 96.93 C ATOM 2487 P DA D 22 1.552 -18.380 -21.629 1.00 96.04 P ATOM 2488 OP1 DA D 22 1.716 -19.859 -21.768 1.00 96.12 O ATOM 2489 OP2 DA D 22 2.247 -17.398 -22.506 1.00 93.66 O ATOM 2490 O5' DA D 22 -0.007 -18.026 -21.668 1.00 95.56 O ATOM 2491 C5' DA D 22 -0.910 -18.505 -20.658 1.00 94.63 C ATOM 2492 C4' DA D 22 -1.798 -17.368 -20.183 1.00 94.08 C ATOM 2493 O4' DA D 22 -1.006 -16.283 -19.639 1.00 91.56 O ATOM 2494 C3' DA D 22 -2.602 -16.713 -21.298 1.00 95.69 C ATOM 2495 O3' DA D 22 -3.916 -16.345 -20.828 1.00 99.22 O ATOM 2496 C2' DA D 22 -1.740 -15.507 -21.691 1.00 93.56 C ATOM 2497 C1' DA D 22 -1.316 -15.068 -20.309 1.00 91.04 C ATOM 2498 N9 DA D 22 -0.149 -14.192 -20.193 1.00 90.72 N ATOM 2499 C8 DA D 22 1.077 -14.328 -20.783 1.00 90.34 C ATOM 2500 N7 DA D 22 1.934 -13.388 -20.451 1.00 89.37 N ATOM 2501 C5 DA D 22 1.230 -12.586 -19.578 1.00 88.81 C ATOM 2502 C6 DA D 22 1.580 -11.427 -18.856 1.00 90.84 C ATOM 2503 N6 DA D 22 2.782 -10.819 -18.902 1.00 90.09 N ATOM 2504 N1 DA D 22 0.615 -10.897 -18.072 1.00 90.86 N ATOM 2505 C2 DA D 22 -0.595 -11.468 -18.012 1.00 89.47 C ATOM 2506 N3 DA D 22 -1.030 -12.547 -18.634 1.00 87.96 N ATOM 2507 C4 DA D 22 -0.057 -13.064 -19.405 1.00 88.98 C ATOM 2508 P DA D 23 -5.061 -15.852 -21.860 1.00102.17 P ATOM 2509 OP1 DA D 23 -6.300 -16.609 -21.518 1.00101.11 O ATOM 2510 OP2 DA D 23 -4.498 -15.893 -23.243 1.00 99.47 O ATOM 2511 O5' DA D 23 -5.262 -14.294 -21.478 1.00100.26 O ATOM 2512 C5' DA D 23 -5.481 -13.839 -20.120 1.00 97.20 C ATOM 2513 C4' DA D 23 -5.508 -12.315 -20.029 1.00 95.80 C ATOM 2514 O4' DA D 23 -4.157 -11.756 -20.016 1.00 94.26 O ATOM 2515 C3' DA D 23 -6.204 -11.567 -21.168 1.00 94.50 C ATOM 2516 O3' DA D 23 -6.790 -10.381 -20.646 1.00 94.08 O ATOM 2517 C2' DA D 23 -5.057 -11.227 -22.118 1.00 92.60 C ATOM 2518 C1' DA D 23 -4.002 -10.837 -21.095 1.00 90.95 C ATOM 2519 N9 DA D 23 -2.609 -10.919 -21.519 1.00 89.96 N ATOM 2520 C8 DA D 23 -2.017 -11.858 -22.315 1.00 89.54 C ATOM 2521 N7 DA D 23 -0.729 -11.671 -22.483 1.00 88.75 N ATOM 2522 C5 DA D 23 -0.467 -10.546 -21.744 1.00 87.70 C ATOM 2523 C6 DA D 23 0.709 -9.830 -21.518 1.00 89.19 C ATOM 2524 N6 DA D 23 1.875 -10.182 -22.038 1.00 89.42 N ATOM 2525 N1 DA D 23 0.645 -8.740 -20.720 1.00 90.05 N ATOM 2526 C2 DA D 23 -0.538 -8.388 -20.185 1.00 89.42 C ATOM 2527 N3 DA D 23 -1.720 -8.987 -20.329 1.00 88.44 N ATOM 2528 C4 DA D 23 -1.607 -10.067 -21.132 1.00 88.68 C ATOM 2529 P DA D 24 -7.992 -9.637 -21.379 1.00 92.22 P ATOM 2530 OP1 DA D 24 -9.168 -9.861 -20.511 1.00 91.03 O ATOM 2531 OP2 DA D 24 -7.974 -10.018 -22.809 1.00 90.21 O ATOM 2532 O5' DA D 24 -7.597 -8.093 -21.322 1.00 88.58 O ATOM 2533 C5' DA D 24 -7.350 -7.478 -20.086 1.00 86.79 C ATOM 2534 C4' DA D 24 -6.215 -6.479 -20.228 1.00 85.69 C ATOM 2535 O4' DA D 24 -5.010 -7.099 -20.744 1.00 84.55 O ATOM 2536 C3' DA D 24 -6.530 -5.341 -21.184 1.00 83.98 C ATOM 2537 O3' DA D 24 -6.597 -4.146 -20.461 1.00 83.85 O ATOM 2538 C2' DA D 24 -5.382 -5.320 -22.190 1.00 83.35 C ATOM 2539 C1' DA D 24 -4.317 -6.148 -21.512 1.00 80.54 C ATOM 2540 N9 DA D 24 -3.470 -6.895 -22.421 1.00 80.77 N ATOM 2541 C8 DA D 24 -3.767 -7.963 -23.245 1.00 81.26 C ATOM 2542 N7 DA D 24 -2.736 -8.415 -23.942 1.00 80.96 N ATOM 2543 C5 DA D 24 -1.699 -7.581 -23.535 1.00 80.87 C ATOM 2544 C6 DA D 24 -0.332 -7.477 -23.850 1.00 79.10 C ATOM 2545 N6 DA D 24 0.366 -8.229 -24.682 1.00 78.17 N ATOM 2546 N1 DA D 24 0.345 -6.513 -23.244 1.00 80.35 N ATOM 2547 C2 DA D 24 -0.255 -5.711 -22.386 1.00 79.03 C ATOM 2548 N3 DA D 24 -1.505 -5.700 -22.004 1.00 77.21 N ATOM 2549 C4 DA D 24 -2.159 -6.656 -22.612 1.00 78.95 C ATOM 2550 P DT D 25 -7.126 -2.824 -21.182 1.00 87.06 P ATOM 2551 OP1 DT D 25 -7.941 -2.158 -20.132 1.00 88.34 O ATOM 2552 OP2 DT D 25 -7.731 -3.189 -22.502 1.00 84.20 O ATOM 2553 O5' DT D 25 -5.811 -1.940 -21.460 1.00 83.90 O ATOM 2554 C5' DT D 25 -4.712 -1.960 -20.582 1.00 83.18 C ATOM 2555 C4' DT D 25 -3.463 -1.541 -21.304 1.00 83.69 C ATOM 2556 O4' DT D 25 -3.004 -2.615 -22.127 1.00 83.39 O ATOM 2557 C3' DT D 25 -3.620 -0.349 -22.252 1.00 84.07 C ATOM 2558 O3' DT D 25 -3.129 0.808 -21.594 1.00 83.84 O ATOM 2559 C2' DT D 25 -2.839 -0.733 -23.511 1.00 83.21 C ATOM 2560 C1' DT D 25 -2.164 -2.027 -23.109 1.00 85.42 C ATOM 2561 N1 DT D 25 -2.036 -3.047 -24.153 1.00 87.26 N ATOM 2562 C2 DT D 25 -0.810 -3.422 -24.682 1.00 86.44 C ATOM 2563 O2 DT D 25 0.249 -2.914 -24.346 1.00 86.05 O ATOM 2564 N3 DT D 25 -0.891 -4.428 -25.622 1.00 85.40 N ATOM 2565 C4 DT D 25 -2.075 -5.037 -26.039 1.00 87.19 C ATOM 2566 O4 DT D 25 -2.081 -5.921 -26.879 1.00 88.39 O ATOM 2567 C5 DT D 25 -3.317 -4.595 -25.436 1.00 88.07 C ATOM 2568 C7 DT D 25 -4.658 -5.195 -25.761 1.00 86.00 C ATOM 2569 C6 DT D 25 -3.234 -3.627 -24.530 1.00 89.16 C ATOM 2570 P DT D 26 -3.028 2.135 -22.433 1.00 87.01 P ATOM 2571 OP1 DT D 26 -3.009 3.257 -21.489 1.00 86.12 O ATOM 2572 OP2 DT D 26 -3.943 2.071 -23.608 1.00 84.08 O ATOM 2573 O5' DT D 26 -1.556 2.046 -23.009 1.00 90.69 O ATOM 2574 C5' DT D 26 -0.450 1.524 -22.256 1.00 89.57 C ATOM 2575 C4' DT D 26 0.851 1.657 -23.062 1.00 88.06 C ATOM 2576 O4' DT D 26 0.978 0.609 -24.065 1.00 85.97 O ATOM 2577 C3' DT D 26 1.003 2.986 -23.822 1.00 87.14 C ATOM 2578 O3' DT D 26 2.385 3.474 -23.766 1.00 84.67 O ATOM 2579 C2' DT D 26 0.487 2.619 -25.219 1.00 85.54 C ATOM 2580 C1' DT D 26 1.039 1.214 -25.342 1.00 86.49 C ATOM 2581 N1 DT D 26 0.308 0.313 -26.191 1.00 86.43 N ATOM 2582 C2 DT D 26 1.046 -0.547 -26.983 1.00 87.12 C ATOM 2583 O2 DT D 26 2.269 -0.570 -27.065 1.00 85.87 O ATOM 2584 N3 DT D 26 0.259 -1.387 -27.714 1.00 88.84 N ATOM 2585 C4 DT D 26 -1.128 -1.451 -27.732 1.00 89.02 C ATOM 2586 O4 DT D 26 -1.745 -2.242 -28.445 1.00 87.99 O ATOM 2587 C5 DT D 26 -1.811 -0.528 -26.860 1.00 87.88 C ATOM 2588 C7 DT D 26 -3.304 -0.426 -26.937 1.00 88.77 C ATOM 2589 C6 DT D 26 -1.069 0.305 -26.129 1.00 86.27 C ATOM 2590 P DT D 27 2.911 4.812 -24.505 1.00 81.10 P ATOM 2591 OP1 DT D 27 3.986 5.413 -23.700 1.00 83.80 O ATOM 2592 OP2 DT D 27 1.789 5.660 -24.953 1.00 83.90 O ATOM 2593 O5' DT D 27 3.619 4.260 -25.819 1.00 84.13 O ATOM 2594 C5' DT D 27 4.977 3.781 -25.747 1.00 84.45 C ATOM 2595 C4' DT D 27 5.342 2.983 -26.983 1.00 83.68 C ATOM 2596 O4' DT D 27 4.223 2.108 -27.363 1.00 82.41 O ATOM 2597 C3' DT D 27 5.661 3.896 -28.158 1.00 85.24 C ATOM 2598 O3' DT D 27 7.035 3.738 -28.608 1.00 86.35 O ATOM 2599 C2' DT D 27 4.564 3.506 -29.159 1.00 84.34 C ATOM 2600 C1' DT D 27 4.183 2.086 -28.756 1.00 82.83 C ATOM 2601 N1 DT D 27 2.866 1.608 -29.261 1.00 80.74 N ATOM 2602 C2 DT D 27 2.925 0.612 -30.179 1.00 84.47 C ATOM 2603 O2 DT D 27 3.995 0.125 -30.557 1.00 84.08 O ATOM 2604 N3 DT D 27 1.690 0.213 -30.646 1.00 86.51 N ATOM 2605 C4 DT D 27 0.429 0.680 -30.271 1.00 84.12 C ATOM 2606 O4 DT D 27 -0.643 0.229 -30.749 1.00 83.12 O ATOM 2607 C5 DT D 27 0.490 1.740 -29.307 1.00 79.45 C ATOM 2608 C7 DT D 27 -0.764 2.432 -28.895 1.00 80.48 C ATOM 2609 C6 DT D 27 1.674 2.140 -28.868 1.00 78.59 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: 3jrd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3jre
RCSB PDB
PDBbind
27aa, >3JRE_3|Chain... at 92%
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
3jre
RCSB PDB
PDBbind
27 -mer
3jrf
RCSB PDB
PDBbind
27 -mer
3jrg
RCSB PDB
PDBbind
27 -mer
3jrh
RCSB PDB
PDBbind
27 -mer
3jri
RCSB PDB
PDBbind
27 -mer
Entry Information
PDB ID
3jrd
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
DNA-binding protein fis
Ligand Name
27 -mer
EC.Number
E.C.-.-.-.-
Resolution
3.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1nM
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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