Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 29-MAR-08 3COQ TITLE STRUCTURAL BASIS FOR DIMERIZATION IN DNA RECOGNITION BY GAL4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DC COMPND 4 P*DCP*DGP*DG)-3'); COMPND 5 CHAIN: D; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'- COMPND 9 D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DC COMPND 10 P*DCP*DGP*DG)-3'); COMPND 11 CHAIN: E; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 3; COMPND 14 MOLECULE: REGULATORY PROTEIN GAL4; COMPND 15 CHAIN: A, B; COMPND 16 FRAGMENT: DNA BINDING DOMAIN WITH COMPLETE DIMERIZATION DOMAIN; COMPND 17 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 8 ORGANISM_TAXID: 32630; SOURCE 9 MOL_ID: 3; SOURCE 10 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 11 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 12 ORGANISM_TAXID: 4932; SOURCE 13 GENE: GAL4; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS HELIX BUNDLE, PROTEIN-DNA COMPLEX, ZINC BINUCLEAR CLUSTER, ACTIVATOR, KEYWDS 2 CARBOHYDRATE METABOLISM, DNA-BINDING, GALACTOSE METABOLISM, METAL- KEYWDS 3 BINDING, NUCLEUS, PHOSPHOPROTEIN, TRANSCRIPTION, TRANSCRIPTION KEYWDS 4 REGULATION, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.HONG,M.X.FITZGERALD,S.HARPER,C.LUO,D.W.SPEICHER REVDAT 6 24-JUL-19 3COQ 1 SOURCE REMARK REVDAT 5 25-OCT-17 3COQ 1 REMARK REVDAT 4 13-JUL-11 3COQ 1 VERSN REVDAT 3 24-FEB-09 3COQ 1 VERSN REVDAT 2 22-JUL-08 3COQ 1 JRNL REVDAT 1 01-JUL-08 3COQ 0 JRNL AUTH M.HONG,M.X.FITZGERALD,S.HARPER,C.LUO,D.W.SPEICHER, JRNL AUTH 2 R.MARMORSTEIN JRNL TITL STRUCTURAL BASIS FOR DIMERIZATION IN DNA RECOGNITION BY JRNL TITL 2 GAL4. JRNL REF STRUCTURE V. 16 1019 2008 JRNL REFN ISSN 0969-2126 JRNL PMID 18611375 JRNL DOI 10.1016/J.STR.2008.03.015 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.94 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.9 REMARK 3 NUMBER OF REFLECTIONS : 14040 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) : 0.213 REMARK 3 R VALUE (WORKING SET) : 0.207 REMARK 3 FREE R VALUE : 0.269 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.300 REMARK 3 FREE R VALUE TEST SET COUNT : 1304 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 889 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.23 REMARK 3 BIN R VALUE (WORKING SET) : 0.3860 REMARK 3 BIN FREE R VALUE SET COUNT : 96 REMARK 3 BIN FREE R VALUE : 0.3770 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1454 REMARK 3 NUCLEIC ACID ATOMS : 814 REMARK 3 HETEROGEN ATOMS : 12 REMARK 3 SOLVENT ATOMS : 33 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) : 48.17 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.19000 REMARK 3 B22 (A**2) : -0.17000 REMARK 3 B33 (A**2) : 0.02000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.23000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.457 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.312 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.227 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 21.794 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.948 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.911 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2391 ; 0.030 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3380 ; 3.337 ; 2.432 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 176 ; 8.318 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 60 ;36.995 ;23.667 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 330 ;24.666 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;19.743 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 386 ; 0.174 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1440 ; 0.013 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1047 ; 0.297 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1527 ; 0.341 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 117 ; 0.195 ; 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): 50 ; 0.276 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 7 ; 0.177 ; 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): 933 ; 1.604 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1446 ; 2.632 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1933 ; 3.053 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1934 ; 4.456 ; 4.500 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 96 REMARK 3 ORIGIN FOR THE GROUP (A): 26.5547 11.4820 119.8274 REMARK 3 T TENSOR REMARK 3 T11: 0.0046 T22: -0.4023 REMARK 3 T33: 0.0886 T12: -0.0180 REMARK 3 T13: -0.0243 T23: 0.0119 REMARK 3 L TENSOR REMARK 3 L11: 3.9151 L22: 0.8944 REMARK 3 L33: 3.6602 L12: -1.2409 REMARK 3 L13: -1.6391 L23: -0.1813 REMARK 3 S TENSOR REMARK 3 S11: 0.0084 S12: 0.3831 S13: -0.4762 REMARK 3 S21: 0.3413 S22: -0.3943 S23: -0.1464 REMARK 3 S31: 0.2909 S32: -0.2695 S33: 0.3859 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 8 B 96 REMARK 3 ORIGIN FOR THE GROUP (A): 9.4315 29.8245 119.8894 REMARK 3 T TENSOR REMARK 3 T11: 0.0099 T22: -0.2720 REMARK 3 T33: 0.0252 T12: 0.0420 REMARK 3 T13: 0.0188 T23: -0.0388 REMARK 3 L TENSOR REMARK 3 L11: 2.6633 L22: 1.8362 REMARK 3 L33: 4.1381 L12: -1.1300 REMARK 3 L13: 1.5699 L23: -1.1633 REMARK 3 S TENSOR REMARK 3 S11: 0.0139 S12: 0.2503 S13: 0.4275 REMARK 3 S21: 0.3904 S22: -0.4559 S23: 0.0800 REMARK 3 S31: -0.3453 S32: -0.0135 S33: 0.4420 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 : D 1 D 20 REMARK 3 ORIGIN FOR THE GROUP (A): 19.8690 21.5164 100.9090 REMARK 3 T TENSOR REMARK 3 T11: -0.1607 T22: 0.2817 REMARK 3 T33: -0.2349 T12: 0.2189 REMARK 3 T13: -0.0140 T23: 0.1032 REMARK 3 L TENSOR REMARK 3 L11: 8.3470 L22: 2.9700 REMARK 3 L33: 0.9413 L12: -2.9739 REMARK 3 L13: -0.1201 L23: 0.1623 REMARK 3 S TENSOR REMARK 3 S11: 0.2689 S12: 1.2570 S13: 0.1994 REMARK 3 S21: -0.0638 S22: -0.4235 S23: -0.1165 REMARK 3 S31: 0.0590 S32: 0.1143 S33: 0.1545 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 : E 21 E 40 REMARK 3 ORIGIN FOR THE GROUP (A): 16.1531 22.3954 100.8826 REMARK 3 T TENSOR REMARK 3 T11: -0.1676 T22: 0.2945 REMARK 3 T33: -0.2529 T12: 0.1864 REMARK 3 T13: 0.0311 T23: 0.0468 REMARK 3 L TENSOR REMARK 3 L11: 6.9143 L22: 3.3132 REMARK 3 L33: 0.8488 L12: -3.2903 REMARK 3 L13: 0.8884 L23: 0.1924 REMARK 3 S TENSOR REMARK 3 S11: 0.2675 S12: 1.1153 S13: 0.1416 REMARK 3 S21: -0.1083 S22: -0.3682 S23: 0.0524 REMARK 3 S31: 0.0235 S32: 0.0211 S33: 0.1008 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: NULL REMARK 4 REMARK 4 3COQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-APR-08. REMARK 100 THE DEPOSITION ID IS D_1000047032. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL; NULL REMARK 200 TEMPERATURE (KELVIN) : 298; NULL REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : NSLS; CHESS REMARK 200 BEAMLINE : X25; F1 REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 1.2823,1.2830,1.2448; NULL REMARK 200 MONOCHROMATOR : NULL; NULL REMARK 200 OPTICS : NULL; NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL; NULL REMARK 200 DETECTOR MANUFACTURER : NULL; NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18311 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.06600 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 16.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.41700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: SOLVE, CNS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 64.79 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.49 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 40MM MG(OAC)2, 25MM SODIUM PHOSPHATE, REMARK 280 5% PEG400, 5% MPD, PH 5.5, VAPOR DIFFUSION, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.24750 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.41450 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.24750 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 20.41450 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 8210 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 17740 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -70.8 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O2 DC D 14 O HOH D 106 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OE1 GLU A 62 O LEU B 69 4558 2.04 REMARK 500 REMARK 500 REMARK: NULL 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 D 1 N9 DA D 1 C4 -0.041 REMARK 500 DG D 7 C6 DG D 7 O6 0.099 REMARK 500 DG D 8 C5 DG D 8 N7 0.043 REMARK 500 DC D 10 O3' DC D 10 C3' -0.064 REMARK 500 DA D 11 C6 DA D 11 N1 0.060 REMARK 500 DA D 11 O3' DG D 12 P -0.082 REMARK 500 DG D 12 C2 DG D 12 N2 0.063 REMARK 500 DG D 12 C6 DG D 12 O6 0.069 REMARK 500 DT D 13 C1' DT D 13 N1 0.117 REMARK 500 DC D 14 C5' DC D 14 C4' 0.048 REMARK 500 DC D 14 O4' DC D 14 C4' 0.071 REMARK 500 DT D 16 C4 DT D 16 C5 0.063 REMARK 500 DC D 17 N3 DC D 17 C4 0.052 REMARK 500 DC E 23 O3' DC E 23 C3' -0.050 REMARK 500 DG E 25 O3' DG E 25 C3' -0.068 REMARK 500 DG E 27 O3' DG E 27 C3' -0.040 REMARK 500 DG E 28 O3' DG E 28 C3' -0.073 REMARK 500 DA E 29 N3 DA E 29 C4 -0.053 REMARK 500 DC E 30 O3' DC E 30 C3' -0.042 REMARK 500 DT E 31 O3' DT E 31 C3' -0.048 REMARK 500 DT E 31 C2 DT E 31 O2 -0.059 REMARK 500 DT E 31 C5 DT E 31 C7 0.048 REMARK 500 DG E 32 C6 DG E 32 O6 0.070 REMARK 500 DC E 34 O4' DC E 34 C1' -0.092 REMARK 500 DG E 39 O3' DG E 39 C3' 0.116 REMARK 500 CYS A 31 CB CYS A 31 SG 0.176 REMARK 500 GLU A 56 CD GLU A 56 OE1 0.073 REMARK 500 GLU A 58 CG GLU A 58 CD 0.098 REMARK 500 GLU A 62 CG GLU A 62 CD 0.119 REMARK 500 CYS B 31 CB CYS B 31 SG 0.229 REMARK 500 ARG B 46 CG ARG B 46 CD 0.163 REMARK 500 GLU B 56 CG GLU B 56 CD 0.093 REMARK 500 SER B 59 CB SER B 59 OG -0.093 REMARK 500 PHE B 68 CE1 PHE B 68 CZ 0.116 REMARK 500 PHE B 72 CB PHE B 72 CG -0.116 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 D 1 O4' - C1' - N9 ANGL. DEV. = -8.8 DEGREES REMARK 500 DA D 1 C2 - N3 - C4 ANGL. DEV. = -6.4 DEGREES REMARK 500 DA D 1 C5 - C6 - N1 ANGL. DEV. = -5.1 DEGREES REMARK 500 DC D 2 O5' - P - OP1 ANGL. DEV. = -5.7 DEGREES REMARK 500 DC D 2 O5' - C5' - C4' ANGL. DEV. = -8.2 DEGREES REMARK 500 DC D 2 N1 - C1' - C2' ANGL. DEV. = 8.8 DEGREES REMARK 500 DC D 3 O5' - C5' - C4' ANGL. DEV. = -5.0 DEGREES REMARK 500 DC D 3 C6 - N1 - C2 ANGL. DEV. = -3.3 DEGREES REMARK 500 DC D 3 N3 - C4 - N4 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG D 4 N1 - C2 - N3 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG D 4 C3' - O3' - P ANGL. DEV. = 9.4 DEGREES REMARK 500 DG D 5 O3' - P - O5' ANGL. DEV. = 13.7 DEGREES REMARK 500 DG D 5 C3' - C2' - C1' ANGL. DEV. = -7.3 DEGREES REMARK 500 DG D 5 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG D 5 C4 - C5 - N7 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA D 6 O4' - C1' - N9 ANGL. DEV. = -5.9 DEGREES REMARK 500 DG D 7 O5' - P - OP2 ANGL. DEV. = -7.8 DEGREES REMARK 500 DG D 7 C4 - C5 - C6 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG D 7 C5 - C6 - N1 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG D 7 C6 - C5 - N7 ANGL. DEV. = -4.5 DEGREES REMARK 500 DG D 7 N1 - C6 - O6 ANGL. DEV. = 6.8 DEGREES REMARK 500 DG D 8 O5' - C5' - C4' ANGL. DEV. = -7.5 DEGREES REMARK 500 DG D 8 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA D 9 O5' - P - OP1 ANGL. DEV. = -7.8 DEGREES REMARK 500 DA D 9 C3' - C2' - C1' ANGL. DEV. = -4.9 DEGREES REMARK 500 DC D 10 N3 - C2 - O2 ANGL. DEV. = -4.9 DEGREES REMARK 500 DA D 11 OP1 - P - OP2 ANGL. DEV. = 11.7 DEGREES REMARK 500 DA D 11 O5' - P - OP2 ANGL. DEV. = -9.1 DEGREES REMARK 500 DA D 11 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA D 11 C6 - N1 - C2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA D 11 C5 - N7 - C8 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA D 11 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA D 11 C5 - C6 - N6 ANGL. DEV. = -5.5 DEGREES REMARK 500 DG D 12 O4' - C1' - C2' ANGL. DEV. = -6.6 DEGREES REMARK 500 DG D 12 N1 - C2 - N2 ANGL. DEV. = 6.0 DEGREES REMARK 500 DG D 12 C3' - O3' - P ANGL. DEV. = 10.9 DEGREES REMARK 500 DT D 13 O3' - P - OP2 ANGL. DEV. = 6.7 DEGREES REMARK 500 DT D 13 O4' - C1' - C2' ANGL. DEV. = -5.2 DEGREES REMARK 500 DT D 13 O4' - C1' - N1 ANGL. DEV. = -12.3 DEGREES REMARK 500 DT D 13 C2 - N3 - C4 ANGL. DEV. = 5.0 DEGREES REMARK 500 DT D 13 N3 - C4 - C5 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT D 13 N3 - C4 - O4 ANGL. DEV. = 6.2 DEGREES REMARK 500 DC D 14 C5' - C4' - O4' ANGL. DEV. = 6.7 DEGREES REMARK 500 DC D 14 O4' - C1' - C2' ANGL. DEV. = 3.3 DEGREES REMARK 500 DC D 14 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC D 14 N3 - C4 - C5 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC D 14 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC D 15 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DT D 16 O3' - P - OP2 ANGL. DEV. = 6.8 DEGREES REMARK 500 DT D 16 O5' - C5' - C4' ANGL. DEV. = -5.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 157 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 LYS A 23 -5.18 81.11 REMARK 500 ALA A 29 -104.08 -3.37 REMARK 500 LYS A 33 -81.11 -50.14 REMARK 500 ASN A 34 16.54 -64.01 REMARK 500 TYR A 40 76.13 -100.18 REMARK 500 LYS A 43 106.14 -57.71 REMARK 500 GLU A 75 177.29 42.22 REMARK 500 ASP A 76 57.79 -4.87 REMARK 500 LYS B 18 33.95 73.09 REMARK 500 GLU B 24 -173.43 -64.09 REMARK 500 LYS B 27 -159.21 -66.38 REMARK 500 LYS B 33 -81.60 -44.82 REMARK 500 ASN B 35 74.45 70.53 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ARG A 74 GLU A 75 147.38 REMARK 500 GLU A 75 ASP A 76 -138.93 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A1002 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 11 SG REMARK 620 2 CYS A 28 SG 99.9 REMARK 620 3 CYS A 31 SG 93.0 121.3 REMARK 620 4 CYS A 38 SG 134.1 101.5 109.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A1001 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 11 SG REMARK 620 2 CYS A 14 SG 89.0 REMARK 620 3 CYS A 28 SG 97.0 123.6 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 11 SG REMARK 620 2 CYS B 14 SG 88.2 REMARK 620 3 CYS B 21 SG 129.3 104.3 REMARK 620 4 CYS B 28 SG 104.4 128.7 104.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 11 SG REMARK 620 2 CYS B 28 SG 98.3 REMARK 620 3 CYS B 31 SG 102.1 137.6 REMARK 620 4 CYS B 38 SG 112.6 82.3 121.7 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD D 100 DBREF 3COQ A 8 96 UNP P04386 GAL4_YEAST 8 96 DBREF 3COQ B 8 96 UNP P04386 GAL4_YEAST 8 96 DBREF 3COQ D 1 20 PDB 3COQ 3COQ 1 20 DBREF 3COQ E 21 40 PDB 3COQ 3COQ 21 40 SEQRES 1 D 20 DA DC DC DG DG DA DG DG DA DC DA DG DT SEQRES 2 D 20 DC DC DT DC DC DG DG SEQRES 1 E 20 DT DC DC DG DG DA DG DG DA DC DT DG DT SEQRES 2 E 20 DC DC DT DC DC DG DG SEQRES 1 A 89 GLU GLN ALA CYS ASP ILE CYS ARG LEU LYS LYS LEU LYS SEQRES 2 A 89 CYS SER LYS GLU LYS PRO LYS CYS ALA LYS CYS LEU LYS SEQRES 3 A 89 ASN ASN TRP GLU CYS ARG TYR SER PRO LYS THR LYS ARG SEQRES 4 A 89 SER PRO LEU THR ARG ALA HIS LEU THR GLU VAL GLU SER SEQRES 5 A 89 ARG LEU GLU ARG LEU GLU GLN LEU PHE LEU LEU ILE PHE SEQRES 6 A 89 PRO ARG GLU ASP LEU ASP MET ILE LEU LYS MET ASP SER SEQRES 7 A 89 LEU GLN ASP ILE LYS ALA LEU LEU THR GLY LEU SEQRES 1 B 89 GLU GLN ALA CYS ASP ILE CYS ARG LEU LYS LYS LEU LYS SEQRES 2 B 89 CYS SER LYS GLU LYS PRO LYS CYS ALA LYS CYS LEU LYS SEQRES 3 B 89 ASN ASN TRP GLU CYS ARG TYR SER PRO LYS THR LYS ARG SEQRES 4 B 89 SER PRO LEU THR ARG ALA HIS LEU THR GLU VAL GLU SER SEQRES 5 B 89 ARG LEU GLU ARG LEU GLU GLN LEU PHE LEU LEU ILE PHE SEQRES 6 B 89 PRO ARG GLU ASP LEU ASP MET ILE LEU LYS MET ASP SER SEQRES 7 B 89 LEU GLN ASP ILE LYS ALA LEU LEU THR GLY LEU HET MPD D 100 8 HET ZN A1001 1 HET ZN A1002 1 HET ZN B 1 1 HET ZN B 2 1 HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL HETNAM ZN ZINC ION FORMUL 5 MPD C6 H14 O2 FORMUL 6 ZN 4(ZN 2+) FORMUL 10 HOH *33(H2 O) HELIX 1 1 CYS A 11 LYS A 18 1 8 HELIX 2 2 CYS A 28 ASN A 34 1 7 HELIX 3 3 THR A 50 PHE A 72 1 23 HELIX 4 4 ASP A 76 MET A 83 1 8 HELIX 5 5 SER A 85 THR A 94 1 10 HELIX 6 6 CYS B 11 LYS B 18 1 8 HELIX 7 7 CYS B 28 ASN B 35 1 8 HELIX 8 8 THR B 50 PHE B 72 1 23 HELIX 9 9 PRO B 73 LYS B 82 1 10 HELIX 10 10 SER B 85 GLY B 95 1 11 LINK SG CYS A 11 ZN ZN A1002 1555 1555 2.58 LINK SG CYS A 11 ZN ZN A1001 1555 1555 2.49 LINK SG CYS A 14 ZN ZN A1001 1555 1555 2.32 LINK SG CYS A 28 ZN ZN A1002 1555 1555 2.32 LINK SG CYS A 28 ZN ZN A1001 1555 1555 2.53 LINK SG CYS A 31 ZN ZN A1002 1555 1555 2.28 LINK SG CYS A 38 ZN ZN A1002 1555 1555 2.34 LINK SG CYS B 11 ZN ZN B 1 1555 1555 2.23 LINK SG CYS B 11 ZN ZN B 2 1555 1555 2.58 LINK SG CYS B 14 ZN ZN B 1 1555 1555 2.22 LINK SG CYS B 21 ZN ZN B 1 1555 1555 2.23 LINK SG CYS B 28 ZN ZN B 1 1555 1555 2.69 LINK SG CYS B 28 ZN ZN B 2 1555 1555 2.58 LINK SG CYS B 31 ZN ZN B 2 1555 1555 1.96 LINK SG CYS B 38 ZN ZN B 2 1555 1555 2.02 CISPEP 1 LYS A 25 PRO A 26 0 5.06 CISPEP 2 LYS B 25 PRO B 26 0 14.31 SITE 1 AC1 4 CYS A 11 CYS A 14 CYS A 21 CYS A 28 SITE 1 AC2 4 CYS A 11 CYS A 28 CYS A 31 CYS A 38 SITE 1 AC3 4 CYS B 11 CYS B 14 CYS B 21 CYS B 28 SITE 1 AC4 4 CYS B 11 CYS B 28 CYS B 31 CYS B 38 SITE 1 AC5 7 LEU A 49 DA D 11 DG D 12 DT D 13 SITE 2 AC5 7 DT E 31 DG E 32 DT E 33 CRYST1 126.495 40.829 90.418 90.00 95.88 90.00 C 1 2 1 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 0.007905 0.000000 0.000814 0.00000 SCALE2 0.000000 0.024492 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011118 0.00000 ATOM 1 O5' DA D 1 47.766 3.640 101.239 1.00 67.65 O ATOM 2 C5' DA D 1 49.126 3.914 101.657 1.00 67.89 C ATOM 3 C4' DA D 1 49.283 4.696 102.983 1.00 67.54 C ATOM 4 O4' DA D 1 49.813 6.018 102.674 1.00 65.71 O ATOM 5 C3' DA D 1 48.062 4.990 103.893 1.00 67.20 C ATOM 6 O3' DA D 1 48.394 5.149 105.330 1.00 67.29 O ATOM 7 C2' DA D 1 47.528 6.278 103.259 1.00 63.87 C ATOM 8 C1' DA D 1 48.807 6.996 102.815 1.00 60.20 C ATOM 9 N9 DA D 1 48.785 7.495 101.474 1.00 57.87 N ATOM 10 C8 DA D 1 48.489 6.839 100.310 1.00 59.44 C ATOM 11 N7 DA D 1 48.579 7.546 99.202 1.00 57.36 N ATOM 12 C5 DA D 1 48.977 8.763 99.696 1.00 57.19 C ATOM 13 C6 DA D 1 49.244 9.955 99.019 1.00 57.83 C ATOM 14 N6 DA D 1 49.168 10.143 97.686 1.00 58.48 N ATOM 15 N1 DA D 1 49.600 10.946 99.845 1.00 59.74 N ATOM 16 C2 DA D 1 49.685 10.748 101.199 1.00 58.97 C ATOM 17 N3 DA D 1 49.478 9.674 101.959 1.00 56.19 N ATOM 18 C4 DA D 1 49.112 8.732 101.100 1.00 56.99 C ATOM 19 P DC D 2 47.200 5.371 106.386 1.00 70.39 P ATOM 20 OP1 DC D 2 47.619 5.149 107.780 1.00 69.70 O ATOM 21 OP2 DC D 2 45.977 4.724 105.798 1.00 69.22 O ATOM 22 O5' DC D 2 47.007 6.937 106.405 1.00 69.27 O ATOM 23 C5' DC D 2 47.906 7.807 107.090 1.00 67.52 C ATOM 24 C4' DC D 2 47.305 9.160 106.774 1.00 65.83 C ATOM 25 O4' DC D 2 47.227 9.389 105.328 1.00 63.31 O ATOM 26 C3' DC D 2 45.858 9.233 107.243 1.00 64.65 C ATOM 27 O3' DC D 2 45.926 10.034 108.405 1.00 63.77 O ATOM 28 C2' DC D 2 45.025 9.734 106.033 1.00 62.69 C ATOM 29 C1' DC D 2 46.112 10.215 105.048 1.00 58.95 C ATOM 30 N1 DC D 2 45.916 10.229 103.514 1.00 55.29 N ATOM 31 C2 DC D 2 46.209 11.410 102.768 1.00 55.06 C ATOM 32 O2 DC D 2 46.584 12.463 103.356 1.00 55.55 O ATOM 33 N3 DC D 2 46.066 11.400 101.407 1.00 52.51 N ATOM 34 C4 DC D 2 45.671 10.290 100.773 1.00 53.61 C ATOM 35 N4 DC D 2 45.513 10.328 99.424 1.00 53.43 N ATOM 36 C5 DC D 2 45.397 9.097 101.522 1.00 52.92 C ATOM 37 C6 DC D 2 45.530 9.106 102.857 1.00 52.97 C ATOM 38 P DC D 3 44.576 10.524 109.064 1.00 65.37 P ATOM 39 OP1 DC D 3 44.932 11.009 110.441 1.00 60.10 O ATOM 40 OP2 DC D 3 43.552 9.486 108.759 1.00 63.30 O ATOM 41 O5' DC D 3 44.229 11.783 108.139 1.00 59.65 O ATOM 42 C5' DC D 3 44.944 12.972 108.332 1.00 55.23 C ATOM 43 C4' DC D 3 44.121 14.018 107.648 1.00 55.33 C ATOM 44 O4' DC D 3 43.960 13.700 106.223 1.00 53.74 O ATOM 45 C3' DC D 3 42.698 14.160 108.147 1.00 52.65 C ATOM 46 O3' DC D 3 42.428 15.507 107.876 1.00 52.04 O ATOM 47 C2' DC D 3 41.935 13.207 107.207 1.00 50.26 C ATOM 48 C1' DC D 3 42.598 13.574 105.860 1.00 46.46 C ATOM 49 N1 DC D 3 42.461 12.621 104.672 1.00 44.53 N ATOM 50 C2 DC D 3 42.779 12.990 103.356 1.00 43.88 C ATOM 51 O2 DC D 3 43.150 14.145 103.190 1.00 44.29 O ATOM 52 N3 DC D 3 42.666 12.097 102.306 1.00 43.71 N ATOM 53 C4 DC D 3 42.247 10.837 102.540 1.00 44.86 C ATOM 54 N4 DC D 3 42.128 9.935 101.566 1.00 42.90 N ATOM 55 C5 DC D 3 41.946 10.424 103.865 1.00 46.70 C ATOM 56 C6 DC D 3 42.059 11.325 104.875 1.00 47.44 C ATOM 57 P DG D 4 41.868 16.322 109.095 1.00 55.22 P ATOM 58 OP1 DG D 4 43.034 16.077 109.987 1.00 57.65 O ATOM 59 OP2 DG D 4 40.527 15.872 109.483 1.00 53.85 O ATOM 60 O5' DG D 4 41.658 17.841 108.628 1.00 52.56 O ATOM 61 C5' DG D 4 42.734 18.429 107.964 1.00 52.93 C ATOM 62 C4' DG D 4 42.210 19.394 106.924 1.00 53.17 C ATOM 63 O4' DG D 4 42.019 18.660 105.682 1.00 53.19 O ATOM 64 C3' DG D 4 40.909 20.148 107.237 1.00 51.87 C ATOM 65 O3' DG D 4 41.177 21.381 106.582 1.00 53.31 O ATOM 66 C2' DG D 4 39.888 19.294 106.489 1.00 52.29 C ATOM 67 C1' DG D 4 40.664 18.818 105.229 1.00 48.89 C ATOM 68 N9 DG D 4 40.292 17.497 104.722 1.00 47.85 N ATOM 69 C8 DG D 4 39.897 16.429 105.511 1.00 46.05 C ATOM 70 N7 DG D 4 39.638 15.332 104.861 1.00 45.36 N ATOM 71 C5 DG D 4 39.898 15.667 103.530 1.00 47.29 C ATOM 72 C6 DG D 4 39.807 14.854 102.358 1.00 47.25 C ATOM 73 O6 DG D 4 39.469 13.680 102.239 1.00 46.58 O ATOM 74 N1 DG D 4 40.159 15.537 101.224 1.00 45.77 N ATOM 75 C2 DG D 4 40.565 16.841 101.260 1.00 45.20 C ATOM 76 N2 DG D 4 40.810 17.307 100.049 1.00 45.98 N ATOM 77 N3 DG D 4 40.684 17.647 102.320 1.00 43.41 N ATOM 78 C4 DG D 4 40.298 17.002 103.430 1.00 46.31 C ATOM 79 P DG D 5 40.215 22.659 106.391 1.00 59.44 P ATOM 80 OP1 DG D 5 41.276 23.674 106.279 1.00 60.05 O ATOM 81 OP2 DG D 5 39.207 22.614 107.452 1.00 60.56 O ATOM 82 O5' DG D 5 39.365 22.764 105.016 1.00 54.97 O ATOM 83 C5' DG D 5 39.880 22.017 103.941 1.00 55.53 C ATOM 84 C4' DG D 5 38.921 21.722 102.806 1.00 55.58 C ATOM 85 O4' DG D 5 38.700 20.293 102.751 1.00 55.08 O ATOM 86 C3' DG D 5 37.517 22.318 102.829 1.00 56.58 C ATOM 87 O3' DG D 5 37.009 22.320 101.489 1.00 60.05 O ATOM 88 C2' DG D 5 36.804 21.255 103.636 1.00 55.40 C ATOM 89 C1' DG D 5 37.301 20.094 102.798 1.00 49.72 C ATOM 90 N9 DG D 5 36.976 18.818 103.364 1.00 47.19 N ATOM 91 C8 DG D 5 36.733 18.488 104.644 1.00 46.25 C ATOM 92 N7 DG D 5 36.484 17.211 104.797 1.00 47.04 N ATOM 93 C5 DG D 5 36.547 16.650 103.527 1.00 48.24 C ATOM 94 C6 DG D 5 36.341 15.319 103.057 1.00 45.93 C ATOM 95 O6 DG D 5 36.052 14.285 103.683 1.00 46.10 O ATOM 96 N1 DG D 5 36.510 15.245 101.699 1.00 45.32 N ATOM 97 C2 DG D 5 36.857 16.297 100.880 1.00 48.76 C ATOM 98 N2 DG D 5 37.006 16.034 99.571 1.00 47.08 N ATOM 99 N3 DG D 5 37.033 17.568 101.285 1.00 51.05 N ATOM 100 C4 DG D 5 36.869 17.657 102.637 1.00 50.23 C ATOM 101 P DA D 6 36.559 23.757 100.918 1.00 64.28 P ATOM 102 OP1 DA D 6 37.647 24.604 101.496 1.00 63.30 O ATOM 103 OP2 DA D 6 35.131 24.004 101.212 1.00 58.90 O ATOM 104 O5' DA D 6 36.719 23.755 99.333 1.00 60.07 O ATOM 105 C5' DA D 6 37.555 22.775 98.781 1.00 56.46 C ATOM 106 C4' DA D 6 36.905 22.033 97.604 1.00 54.83 C ATOM 107 O4' DA D 6 36.424 20.720 98.030 1.00 51.58 O ATOM 108 C3' DA D 6 35.727 22.695 96.872 1.00 53.59 C ATOM 109 O3' DA D 6 35.879 22.345 95.501 1.00 52.19 O ATOM 110 C2' DA D 6 34.497 22.038 97.570 1.00 49.62 C ATOM 111 C1' DA D 6 35.012 20.617 97.880 1.00 46.33 C ATOM 112 N9 DA D 6 34.621 19.942 99.114 1.00 46.53 N ATOM 113 C8 DA D 6 34.555 20.442 100.397 1.00 45.25 C ATOM 114 N7 DA D 6 34.188 19.530 101.289 1.00 44.95 N ATOM 115 C5 DA D 6 34.001 18.350 100.587 1.00 44.94 C ATOM 116 C6 DA D 6 33.623 17.009 100.953 1.00 44.08 C ATOM 117 N6 DA D 6 33.293 16.576 102.171 1.00 39.78 N ATOM 118 N1 DA D 6 33.538 16.094 99.925 1.00 45.30 N ATOM 119 C2 DA D 6 33.835 16.477 98.653 1.00 43.12 C ATOM 120 N3 DA D 6 34.230 17.674 98.201 1.00 42.22 N ATOM 121 C4 DA D 6 34.285 18.586 99.222 1.00 47.16 C ATOM 122 P DG D 7 34.798 22.914 94.465 1.00 56.14 P ATOM 123 OP1 DG D 7 35.655 23.622 93.490 1.00 53.52 O ATOM 124 OP2 DG D 7 33.654 23.503 95.190 1.00 55.30 O ATOM 125 O5' DG D 7 34.004 21.717 93.735 1.00 55.27 O ATOM 126 C5' DG D 7 34.257 20.337 93.949 1.00 53.12 C ATOM 127 C4' DG D 7 32.991 19.516 94.064 1.00 49.41 C ATOM 128 O4' DG D 7 32.764 19.259 95.466 1.00 50.91 O ATOM 129 C3' DG D 7 31.718 20.175 93.591 1.00 50.32 C ATOM 130 O3' DG D 7 31.243 19.394 92.479 1.00 51.27 O ATOM 131 C2' DG D 7 30.753 20.194 94.819 1.00 50.27 C ATOM 132 C1' DG D 7 31.356 19.069 95.652 1.00 52.09 C ATOM 133 N9 DG D 7 31.153 19.093 97.099 1.00 51.77 N ATOM 134 C8 DG D 7 31.412 20.203 97.867 1.00 52.15 C ATOM 135 N7 DG D 7 31.223 20.051 99.151 1.00 53.01 N ATOM 136 C5 DG D 7 30.804 18.723 99.255 1.00 51.62 C ATOM 137 C6 DG D 7 30.433 18.056 100.456 1.00 51.13 C ATOM 138 O6 DG D 7 30.436 18.588 101.681 1.00 50.79 O ATOM 139 N1 DG D 7 30.025 16.733 100.101 1.00 48.62 N ATOM 140 C2 DG D 7 29.999 16.176 98.810 1.00 50.48 C ATOM 141 N2 DG D 7 29.605 14.887 98.673 1.00 48.16 N ATOM 142 N3 DG D 7 30.347 16.845 97.706 1.00 50.08 N ATOM 143 C4 DG D 7 30.746 18.108 97.996 1.00 52.45 C ATOM 144 P DG D 8 29.907 19.755 91.644 1.00 56.53 P ATOM 145 OP1 DG D 8 30.057 19.104 90.336 1.00 56.65 O ATOM 146 OP2 DG D 8 29.456 21.180 91.893 1.00 55.83 O ATOM 147 O5' DG D 8 28.759 18.870 92.358 1.00 58.50 O ATOM 148 C5' DG D 8 28.849 17.438 92.414 1.00 52.61 C ATOM 149 C4' DG D 8 27.707 17.090 93.334 1.00 53.00 C ATOM 150 O4' DG D 8 27.991 17.499 94.720 1.00 50.70 O ATOM 151 C3' DG D 8 26.369 17.734 92.961 1.00 51.82 C ATOM 152 O3' DG D 8 25.363 16.747 92.976 1.00 54.18 O ATOM 153 C2' DG D 8 26.105 18.753 94.064 1.00 46.83 C ATOM 154 C1' DG D 8 26.735 17.987 95.236 1.00 47.85 C ATOM 155 N9 DG D 8 27.060 18.742 96.482 1.00 47.31 N ATOM 156 C8 DG D 8 27.515 20.063 96.633 1.00 43.78 C ATOM 157 N7 DG D 8 27.725 20.432 97.840 1.00 45.50 N ATOM 158 C5 DG D 8 27.422 19.234 98.562 1.00 47.46 C ATOM 159 C6 DG D 8 27.425 18.940 99.934 1.00 44.48 C ATOM 160 O6 DG D 8 27.791 19.686 100.830 1.00 45.34 O ATOM 161 N1 DG D 8 26.977 17.659 100.261 1.00 44.28 N ATOM 162 C2 DG D 8 26.599 16.710 99.345 1.00 44.89 C ATOM 163 N2 DG D 8 26.195 15.509 99.824 1.00 44.04 N ATOM 164 N3 DG D 8 26.601 16.939 98.037 1.00 44.94 N ATOM 165 C4 DG D 8 27.021 18.196 97.736 1.00 47.73 C ATOM 166 P DA D 9 24.001 16.997 92.120 1.00 58.63 P ATOM 167 OP1 DA D 9 24.200 16.387 90.843 1.00 55.41 O ATOM 168 OP2 DA D 9 23.485 18.396 92.191 1.00 52.76 O ATOM 169 O5' DA D 9 23.093 15.841 92.777 1.00 57.14 O ATOM 170 C5' DA D 9 23.784 14.566 93.035 1.00 52.32 C ATOM 171 C4' DA D 9 23.164 13.987 94.312 1.00 50.93 C ATOM 172 O4' DA D 9 23.506 14.739 95.503 1.00 44.15 O ATOM 173 C3' DA D 9 21.631 13.983 94.282 1.00 50.86 C ATOM 174 O3' DA D 9 21.117 12.930 95.125 1.00 51.86 O ATOM 175 C2' DA D 9 21.337 15.367 94.801 1.00 48.15 C ATOM 176 C1' DA D 9 22.338 15.359 95.974 1.00 44.01 C ATOM 177 N9 DA D 9 22.711 16.682 96.411 1.00 43.23 N ATOM 178 C8 DA D 9 22.818 17.824 95.652 1.00 42.13 C ATOM 179 N7 DA D 9 23.183 18.885 96.350 1.00 41.69 N ATOM 180 C5 DA D 9 23.321 18.373 97.615 1.00 41.68 C ATOM 181 C6 DA D 9 23.716 18.961 98.795 1.00 42.10 C ATOM 182 N6 DA D 9 24.044 20.233 98.858 1.00 42.55 N ATOM 183 N1 DA D 9 23.804 18.214 99.893 1.00 40.27 N ATOM 184 C2 DA D 9 23.503 16.932 99.793 1.00 41.23 C ATOM 185 N3 DA D 9 23.120 16.223 98.744 1.00 43.13 N ATOM 186 C4 DA D 9 23.052 17.030 97.674 1.00 43.22 C ATOM 187 P DC D 10 19.511 12.641 95.151 1.00 55.73 P ATOM 188 OP1 DC D 10 19.539 11.150 95.196 1.00 49.40 O ATOM 189 OP2 DC D 10 18.721 13.447 94.179 1.00 53.88 O ATOM 190 O5' DC D 10 19.084 13.245 96.622 1.00 54.22 O ATOM 191 C5' DC D 10 20.005 12.927 97.692 1.00 47.88 C ATOM 192 C4' DC D 10 19.575 13.514 98.976 1.00 47.48 C ATOM 193 O4' DC D 10 20.091 14.855 99.168 1.00 47.71 O ATOM 194 C3' DC D 10 18.099 13.622 99.098 1.00 48.60 C ATOM 195 O3' DC D 10 18.045 13.271 100.406 1.00 51.21 O ATOM 196 C2' DC D 10 17.773 15.106 98.925 1.00 46.14 C ATOM 197 C1' DC D 10 19.034 15.752 99.444 1.00 46.86 C ATOM 198 N1 DC D 10 19.488 17.122 98.984 1.00 48.11 N ATOM 199 C2 DC D 10 20.054 17.961 99.999 1.00 50.04 C ATOM 200 O2 DC D 10 20.121 17.582 101.156 1.00 48.80 O ATOM 201 N3 DC D 10 20.509 19.208 99.734 1.00 49.70 N ATOM 202 C4 DC D 10 20.440 19.633 98.445 1.00 49.27 C ATOM 203 N4 DC D 10 20.925 20.865 98.250 1.00 46.26 N ATOM 204 C5 DC D 10 19.866 18.840 97.375 1.00 46.02 C ATOM 205 C6 DC D 10 19.418 17.599 97.698 1.00 46.11 C ATOM 206 P DA D 11 16.694 12.652 100.911 1.00 53.96 P ATOM 207 OP1 DA D 11 17.274 11.343 101.285 1.00 48.32 O ATOM 208 OP2 DA D 11 15.512 12.989 100.150 1.00 44.86 O ATOM 209 O5' DA D 11 16.318 13.470 102.203 1.00 50.47 O ATOM 210 C5' DA D 11 17.324 13.431 103.201 1.00 47.44 C ATOM 211 C4' DA D 11 17.002 14.515 104.187 1.00 44.79 C ATOM 212 O4' DA D 11 17.477 15.815 103.697 1.00 43.68 O ATOM 213 C3' DA D 11 15.494 14.651 104.578 1.00 41.52 C ATOM 214 O3' DA D 11 15.595 14.858 105.991 1.00 33.85 O ATOM 215 C2' DA D 11 15.075 15.931 103.857 1.00 42.14 C ATOM 216 C1' DA D 11 16.396 16.756 103.704 1.00 42.35 C ATOM 217 N9 DA D 11 16.482 17.636 102.555 1.00 41.06 N ATOM 218 C8 DA D 11 16.105 17.405 101.251 1.00 42.88 C ATOM 219 N7 DA D 11 16.299 18.400 100.355 1.00 42.72 N ATOM 220 C5 DA D 11 16.822 19.371 101.202 1.00 45.63 C ATOM 221 C6 DA D 11 17.242 20.720 100.951 1.00 46.08 C ATOM 222 N6 DA D 11 17.191 21.174 99.699 1.00 40.31 N ATOM 223 N1 DA D 11 17.732 21.505 102.016 1.00 43.38 N ATOM 224 C2 DA D 11 17.809 20.853 103.186 1.00 41.53 C ATOM 225 N3 DA D 11 17.458 19.592 103.522 1.00 38.03 N ATOM 226 C4 DA D 11 16.936 18.911 102.530 1.00 42.28 C ATOM 227 P DG D 12 14.340 14.932 106.854 1.00 35.67 P ATOM 228 OP1 DG D 12 14.951 14.445 108.118 1.00 35.50 O ATOM 229 OP2 DG D 12 13.140 14.201 106.316 1.00 35.08 O ATOM 230 O5' DG D 12 14.017 16.513 106.837 1.00 37.28 O ATOM 231 C5' DG D 12 14.745 17.377 107.631 1.00 34.85 C ATOM 232 C4' DG D 12 14.201 18.762 107.410 1.00 39.12 C ATOM 233 O4' DG D 12 14.515 19.133 106.053 1.00 37.20 O ATOM 234 C3' DG D 12 12.683 18.849 107.557 1.00 34.02 C ATOM 235 O3' DG D 12 12.468 19.836 108.621 1.00 29.51 O ATOM 236 C2' DG D 12 12.321 19.245 106.155 1.00 30.34 C ATOM 237 C1' DG D 12 13.527 19.980 105.619 1.00 31.20 C ATOM 238 N9 DG D 12 13.582 20.096 104.147 1.00 33.60 N ATOM 239 C8 DG D 12 13.131 19.151 103.228 1.00 32.61 C ATOM 240 N7 DG D 12 13.321 19.543 101.993 1.00 32.61 N ATOM 241 C5 DG D 12 13.901 20.816 102.077 1.00 33.31 C ATOM 242 C6 DG D 12 14.205 21.754 101.043 1.00 30.97 C ATOM 243 O6 DG D 12 14.063 21.567 99.758 1.00 31.33 O ATOM 244 N1 DG D 12 14.715 22.942 101.595 1.00 28.34 N ATOM 245 C2 DG D 12 14.888 23.201 102.970 1.00 35.10 C ATOM 246 N2 DG D 12 15.411 24.416 103.442 1.00 30.74 N ATOM 247 N3 DG D 12 14.487 22.309 103.894 1.00 35.26 N ATOM 248 C4 DG D 12 14.033 21.160 103.397 1.00 34.43 C ATOM 249 P DT D 13 11.438 20.995 108.732 1.00 33.16 P ATOM 250 OP1 DT D 13 11.330 21.425 110.133 1.00 30.35 O ATOM 251 OP2 DT D 13 10.102 20.810 108.019 1.00 34.60 O ATOM 252 O5' DT D 13 12.247 22.047 107.783 1.00 28.05 O ATOM 253 C5' DT D 13 13.370 22.530 108.298 1.00 27.29 C ATOM 254 C4' DT D 13 13.602 24.010 108.070 1.00 29.41 C ATOM 255 O4' DT D 13 13.513 24.341 106.656 1.00 31.86 O ATOM 256 C3' DT D 13 12.723 25.029 108.769 1.00 31.21 C ATOM 257 O3' DT D 13 13.626 26.155 108.947 1.00 30.72 O ATOM 258 C2' DT D 13 11.718 25.283 107.674 1.00 32.55 C ATOM 259 C1' DT D 13 12.548 25.311 106.371 1.00 37.00 C ATOM 260 N1 DT D 13 12.028 24.625 105.016 1.00 40.94 N ATOM 261 C2 DT D 13 12.301 25.241 103.838 1.00 37.91 C ATOM 262 O2 DT D 13 12.933 26.262 103.755 1.00 40.08 O ATOM 263 N3 DT D 13 11.887 24.577 102.766 1.00 38.88 N ATOM 264 C4 DT D 13 11.165 23.395 102.619 1.00 40.33 C ATOM 265 O4 DT D 13 10.816 22.865 101.523 1.00 40.77 O ATOM 266 C5 DT D 13 10.862 22.815 103.865 1.00 40.24 C ATOM 267 C7 DT D 13 9.975 21.607 103.831 1.00 35.24 C ATOM 268 C6 DT D 13 11.323 23.426 104.991 1.00 41.33 C ATOM 269 P DC D 14 13.090 27.254 109.888 1.00 32.67 P ATOM 270 OP1 DC D 14 14.294 27.971 110.397 1.00 35.91 O ATOM 271 OP2 DC D 14 12.128 26.669 110.852 1.00 29.75 O ATOM 272 O5' DC D 14 12.265 28.189 108.910 1.00 33.76 O ATOM 273 C5' DC D 14 12.991 28.884 107.896 1.00 33.76 C ATOM 274 C4' DC D 14 11.979 29.646 106.986 1.00 36.48 C ATOM 275 O4' DC D 14 11.364 28.854 105.844 1.00 27.83 O ATOM 276 C3' DC D 14 10.795 30.268 107.727 1.00 37.73 C ATOM 277 O3' DC D 14 10.564 31.517 106.964 1.00 38.21 O ATOM 278 C2' DC D 14 9.687 29.215 107.574 1.00 34.18 C ATOM 279 C1' DC D 14 9.977 28.792 106.103 1.00 34.55 C ATOM 280 N1 DC D 14 9.356 27.555 105.529 1.00 36.09 N ATOM 281 C2 DC D 14 9.422 27.501 104.132 1.00 34.42 C ATOM 282 O2 DC D 14 10.001 28.421 103.544 1.00 34.37 O ATOM 283 N3 DC D 14 8.869 26.454 103.509 1.00 31.24 N ATOM 284 C4 DC D 14 8.280 25.485 104.227 1.00 31.83 C ATOM 285 N4 DC D 14 7.776 24.487 103.518 1.00 32.05 N ATOM 286 C5 DC D 14 8.220 25.455 105.664 1.00 29.24 C ATOM 287 C6 DC D 14 8.785 26.536 106.271 1.00 30.56 C ATOM 288 P DC D 15 10.710 32.842 107.841 1.00 40.81 P ATOM 289 OP1 DC D 15 12.153 32.875 108.030 1.00 41.18 O ATOM 290 OP2 DC D 15 9.725 32.869 108.984 1.00 41.05 O ATOM 291 O5' DC D 15 10.272 33.828 106.638 1.00 44.25 O ATOM 292 C5' DC D 15 8.867 33.692 106.249 1.00 40.76 C ATOM 293 C4' DC D 15 8.853 33.655 104.737 1.00 41.72 C ATOM 294 O4' DC D 15 9.245 32.351 104.224 1.00 38.03 O ATOM 295 C3' DC D 15 7.532 34.068 104.064 1.00 42.51 C ATOM 296 O3' DC D 15 7.542 35.423 103.642 1.00 42.44 O ATOM 297 C2' DC D 15 7.649 33.283 102.784 1.00 44.19 C ATOM 298 C1' DC D 15 8.460 32.044 103.121 1.00 36.30 C ATOM 299 N1 DC D 15 7.604 30.808 103.363 1.00 39.24 N ATOM 300 C2 DC D 15 7.189 30.105 102.223 1.00 36.52 C ATOM 301 O2 DC D 15 7.505 30.591 101.099 1.00 39.02 O ATOM 302 N3 DC D 15 6.504 28.955 102.324 1.00 30.92 N ATOM 303 C4 DC D 15 6.172 28.523 103.504 1.00 37.30 C ATOM 304 N4 DC D 15 5.453 27.378 103.537 1.00 36.07 N ATOM 305 C5 DC D 15 6.558 29.218 104.725 1.00 39.65 C ATOM 306 C6 DC D 15 7.250 30.359 104.606 1.00 39.35 C ATOM 307 P DT D 16 6.174 36.264 103.470 1.00 42.82 P ATOM 308 OP1 DT D 16 6.820 37.577 103.553 1.00 46.22 O ATOM 309 OP2 DT D 16 5.084 35.972 104.406 1.00 44.89 O ATOM 310 O5' DT D 16 5.790 35.927 101.962 1.00 41.50 O ATOM 311 C5' DT D 16 6.856 35.893 100.977 1.00 38.94 C ATOM 312 C4' DT D 16 6.178 35.426 99.710 1.00 40.66 C ATOM 313 O4' DT D 16 5.956 34.008 99.810 1.00 38.84 O ATOM 314 C3' DT D 16 4.781 36.007 99.402 1.00 40.03 C ATOM 315 O3' DT D 16 4.616 36.191 97.980 1.00 41.77 O ATOM 316 C2' DT D 16 3.803 34.948 99.875 1.00 38.11 C ATOM 317 C1' DT D 16 4.622 33.676 99.596 1.00 38.04 C ATOM 318 N1 DT D 16 4.242 32.622 100.559 1.00 39.28 N ATOM 319 C2 DT D 16 3.737 31.381 100.148 1.00 39.30 C ATOM 320 O2 DT D 16 3.555 30.998 99.039 1.00 37.64 O ATOM 321 N3 DT D 16 3.396 30.484 101.096 1.00 40.04 N ATOM 322 C4 DT D 16 3.466 30.690 102.434 1.00 40.98 C ATOM 323 O4 DT D 16 3.097 29.734 103.122 1.00 40.84 O ATOM 324 C5 DT D 16 4.021 32.021 102.874 1.00 40.55 C ATOM 325 C7 DT D 16 4.170 32.452 104.323 1.00 27.28 C ATOM 326 C6 DT D 16 4.358 32.916 101.905 1.00 38.39 C ATOM 327 P DC D 17 3.431 37.083 97.400 1.00 41.08 P ATOM 328 OP1 DC D 17 4.031 37.547 96.135 1.00 41.64 O ATOM 329 OP2 DC D 17 2.980 38.058 98.381 1.00 40.40 O ATOM 330 O5' DC D 17 2.173 36.092 97.169 1.00 42.13 O ATOM 331 C5' DC D 17 2.429 34.917 96.392 1.00 42.40 C ATOM 332 C4' DC D 17 1.261 33.971 96.463 1.00 42.80 C ATOM 333 O4' DC D 17 1.251 33.406 97.797 1.00 41.98 O ATOM 334 C3' DC D 17 -0.145 34.562 96.288 1.00 40.49 C ATOM 335 O3' DC D 17 -1.021 33.648 95.631 1.00 41.50 O ATOM 336 C2' DC D 17 -0.688 34.624 97.699 1.00 40.27 C ATOM 337 C1' DC D 17 -0.105 33.296 98.162 1.00 41.32 C ATOM 338 N1 DC D 17 -0.024 32.924 99.574 1.00 39.40 N ATOM 339 C2 DC D 17 -0.213 31.569 99.781 1.00 41.52 C ATOM 340 O2 DC D 17 -0.444 30.894 98.738 1.00 40.71 O ATOM 341 N3 DC D 17 -0.073 31.116 101.093 1.00 44.97 N ATOM 342 C4 DC D 17 0.225 32.003 102.117 1.00 43.29 C ATOM 343 N4 DC D 17 0.309 31.596 103.386 1.00 38.88 N ATOM 344 C5 DC D 17 0.388 33.410 101.864 1.00 42.54 C ATOM 345 C6 DC D 17 0.240 33.812 100.585 1.00 40.73 C ATOM 346 P DC D 18 -1.687 34.195 94.295 1.00 47.19 P ATOM 347 OP1 DC D 18 -0.495 34.617 93.444 1.00 43.69 O ATOM 348 OP2 DC D 18 -2.769 35.052 94.852 1.00 38.92 O ATOM 349 O5' DC D 18 -2.302 32.961 93.504 1.00 44.43 O ATOM 350 C5' DC D 18 -1.375 31.896 93.266 1.00 44.18 C ATOM 351 C4' DC D 18 -2.047 30.610 93.680 1.00 46.77 C ATOM 352 O4' DC D 18 -2.129 30.471 95.130 1.00 42.13 O ATOM 353 C3' DC D 18 -3.492 30.520 93.152 1.00 49.27 C ATOM 354 O3' DC D 18 -3.764 29.194 92.754 1.00 49.83 O ATOM 355 C2' DC D 18 -4.328 30.874 94.384 1.00 49.69 C ATOM 356 C1' DC D 18 -3.469 30.217 95.480 1.00 46.80 C ATOM 357 N1 DC D 18 -3.612 30.736 96.846 1.00 47.29 N ATOM 358 C2 DC D 18 -3.830 29.812 97.895 1.00 48.46 C ATOM 359 O2 DC D 18 -3.940 28.611 97.633 1.00 47.72 O ATOM 360 N3 DC D 18 -3.928 30.252 99.185 1.00 48.73 N ATOM 361 C4 DC D 18 -3.789 31.571 99.447 1.00 47.32 C ATOM 362 N4 DC D 18 -3.871 31.953 100.730 1.00 46.63 N ATOM 363 C5 DC D 18 -3.568 32.527 98.398 1.00 46.91 C ATOM 364 C6 DC D 18 -3.480 32.077 97.115 1.00 47.41 C ATOM 365 P DG D 19 -4.771 28.856 91.571 1.00 53.59 P ATOM 366 OP1 DG D 19 -4.056 27.741 90.894 1.00 51.89 O ATOM 367 OP2 DG D 19 -5.264 30.085 90.879 1.00 45.49 O ATOM 368 O5' DG D 19 -5.952 28.219 92.436 1.00 52.67 O ATOM 369 C5' DG D 19 -5.742 27.062 93.263 1.00 47.51 C ATOM 370 C4' DG D 19 -6.965 26.848 94.143 1.00 44.61 C ATOM 371 O4' DG D 19 -6.768 27.738 95.273 1.00 42.00 O ATOM 372 C3' DG D 19 -8.373 27.175 93.593 1.00 44.17 C ATOM 373 O3' DG D 19 -9.226 26.264 94.190 1.00 46.37 O ATOM 374 C2' DG D 19 -8.708 28.548 94.187 1.00 41.32 C ATOM 375 C1' DG D 19 -7.982 28.430 95.541 1.00 43.38 C ATOM 376 N9 DG D 19 -7.660 29.660 96.284 1.00 44.45 N ATOM 377 C8 DG D 19 -7.483 30.947 95.773 1.00 43.75 C ATOM 378 N7 DG D 19 -7.231 31.842 96.703 1.00 44.33 N ATOM 379 C5 DG D 19 -7.233 31.113 97.903 1.00 43.32 C ATOM 380 C6 DG D 19 -7.022 31.576 99.213 1.00 42.44 C ATOM 381 O6 DG D 19 -6.737 32.741 99.539 1.00 41.36 O ATOM 382 N1 DG D 19 -7.131 30.518 100.132 1.00 43.29 N ATOM 383 C2 DG D 19 -7.407 29.186 99.787 1.00 42.89 C ATOM 384 N2 DG D 19 -7.486 28.281 100.766 1.00 41.96 N ATOM 385 N3 DG D 19 -7.581 28.733 98.565 1.00 40.97 N ATOM 386 C4 DG D 19 -7.485 29.759 97.671 1.00 44.61 C ATOM 387 P DG D 20 -10.234 25.365 93.374 1.00 50.29 P ATOM 388 OP1 DG D 20 -9.432 24.535 92.450 1.00 50.61 O ATOM 389 OP2 DG D 20 -11.368 26.218 92.898 1.00 47.64 O ATOM 390 O5' DG D 20 -10.826 24.392 94.509 1.00 50.61 O ATOM 391 C5' DG D 20 -10.082 23.608 95.463 1.00 46.91 C ATOM 392 C4' DG D 20 -10.838 23.487 96.789 1.00 47.72 C ATOM 393 O4' DG D 20 -10.523 24.679 97.539 1.00 47.98 O ATOM 394 C3' DG D 20 -12.371 23.440 96.773 1.00 50.65 C ATOM 395 O3' DG D 20 -12.882 22.602 97.779 1.00 54.71 O ATOM 396 C2' DG D 20 -12.859 24.837 97.133 1.00 50.08 C ATOM 397 C1' DG D 20 -11.672 25.392 97.904 1.00 51.78 C ATOM 398 N9 DG D 20 -11.441 26.809 97.652 1.00 52.29 N ATOM 399 C8 DG D 20 -11.391 27.480 96.449 1.00 52.83 C ATOM 400 N7 DG D 20 -11.186 28.763 96.589 1.00 54.28 N ATOM 401 C5 DG D 20 -11.069 28.936 97.970 1.00 53.81 C ATOM 402 C6 DG D 20 -10.832 30.112 98.732 1.00 53.40 C ATOM 403 O6 DG D 20 -10.695 31.279 98.321 1.00 52.52 O ATOM 404 N1 DG D 20 -10.812 29.825 100.093 1.00 51.93 N ATOM 405 C2 DG D 20 -11.005 28.573 100.636 1.00 51.77 C ATOM 406 N2 DG D 20 -10.945 28.487 101.973 1.00 52.29 N ATOM 407 N3 DG D 20 -11.227 27.469 99.942 1.00 50.15 N ATOM 408 C4 DG D 20 -11.237 27.738 98.628 1.00 51.61 C TER 409 DG D 20 ATOM 410 O5' DT E 21 -12.950 39.454 101.980 1.00 63.62 O ATOM 411 C5' DT E 21 -13.778 39.722 103.135 1.00 64.19 C ATOM 412 C4' DT E 21 -13.875 38.565 104.138 1.00 61.09 C ATOM 413 O4' DT E 21 -14.224 37.268 103.530 1.00 59.42 O ATOM 414 C3' DT E 21 -12.584 38.280 104.861 1.00 59.85 C ATOM 415 O3' DT E 21 -12.926 37.639 106.038 1.00 60.81 O ATOM 416 C2' DT E 21 -11.911 37.294 103.908 1.00 56.70 C ATOM 417 C1' DT E 21 -13.111 36.388 103.581 1.00 54.10 C ATOM 418 N1 DT E 21 -13.090 35.741 102.214 1.00 52.86 N ATOM 419 C2 DT E 21 -13.469 34.430 102.161 1.00 50.89 C ATOM 420 O2 DT E 21 -13.823 33.805 103.125 1.00 52.30 O ATOM 421 N3 DT E 21 -13.435 33.858 100.933 1.00 51.15 N ATOM 422 C4 DT E 21 -13.095 34.422 99.707 1.00 51.55 C ATOM 423 O4 DT E 21 -13.147 33.762 98.638 1.00 51.13 O ATOM 424 C5 DT E 21 -12.700 35.810 99.819 1.00 48.98 C ATOM 425 C7 DT E 21 -12.332 36.534 98.567 1.00 51.33 C ATOM 426 C6 DT E 21 -12.711 36.397 101.031 1.00 49.89 C ATOM 427 P DC E 22 -11.708 37.464 107.050 1.00 63.05 P ATOM 428 OP1 DC E 22 -12.320 37.581 108.393 1.00 62.94 O ATOM 429 OP2 DC E 22 -10.553 38.264 106.596 1.00 62.91 O ATOM 430 O5' DC E 22 -11.255 35.957 106.901 1.00 64.14 O ATOM 431 C5' DC E 22 -12.183 35.012 107.433 1.00 66.20 C ATOM 432 C4' DC E 22 -11.550 33.671 107.216 1.00 64.26 C ATOM 433 O4' DC E 22 -11.609 33.327 105.803 1.00 62.03 O ATOM 434 C3' DC E 22 -10.098 33.703 107.649 1.00 64.85 C ATOM 435 O3' DC E 22 -10.169 32.892 108.828 1.00 66.92 O ATOM 436 C2' DC E 22 -9.326 33.196 106.419 1.00 62.95 C ATOM 437 C1' DC E 22 -10.422 32.723 105.426 1.00 60.45 C ATOM 438 N1 DC E 22 -10.203 32.919 103.942 1.00 58.20 N ATOM 439 C2 DC E 22 -10.491 31.848 103.074 1.00 58.52 C ATOM 440 O2 DC E 22 -10.955 30.799 103.548 1.00 56.85 O ATOM 441 N3 DC E 22 -10.253 31.990 101.734 1.00 58.87 N ATOM 442 C4 DC E 22 -9.777 33.154 101.266 1.00 57.92 C ATOM 443 N4 DC E 22 -9.579 33.285 99.949 1.00 56.79 N ATOM 444 C5 DC E 22 -9.489 34.242 102.147 1.00 56.50 C ATOM 445 C6 DC E 22 -9.695 34.085 103.456 1.00 55.98 C ATOM 446 P DC E 23 -8.935 32.248 109.604 1.00 68.47 P ATOM 447 OP1 DC E 23 -8.987 32.829 110.963 1.00 67.83 O ATOM 448 OP2 DC E 23 -7.723 32.371 108.739 1.00 69.25 O ATOM 449 O5' DC E 23 -9.362 30.711 109.750 1.00 65.28 O ATOM 450 C5' DC E 23 -8.409 29.700 109.660 1.00 61.67 C ATOM 451 C4' DC E 23 -8.114 29.099 108.291 1.00 56.07 C ATOM 452 O4' DC E 23 -8.286 29.895 107.083 1.00 54.53 O ATOM 453 C3' DC E 23 -6.637 28.739 108.276 1.00 53.44 C ATOM 454 O3' DC E 23 -6.563 27.436 107.861 1.00 55.64 O ATOM 455 C2' DC E 23 -6.017 29.636 107.240 1.00 48.52 C ATOM 456 C1' DC E 23 -7.127 29.629 106.228 1.00 49.75 C ATOM 457 N1 DC E 23 -6.886 30.697 105.185 1.00 48.84 N ATOM 458 C2 DC E 23 -7.005 30.481 103.801 1.00 49.80 C ATOM 459 O2 DC E 23 -7.318 29.362 103.428 1.00 51.39 O ATOM 460 N3 DC E 23 -6.790 31.467 102.863 1.00 49.63 N ATOM 461 C4 DC E 23 -6.453 32.683 103.289 1.00 50.00 C ATOM 462 N4 DC E 23 -6.228 33.643 102.388 1.00 48.68 N ATOM 463 C5 DC E 23 -6.294 32.941 104.697 1.00 51.92 C ATOM 464 C6 DC E 23 -6.501 31.949 105.590 1.00 51.42 C ATOM 465 P DG E 24 -5.935 26.501 108.970 1.00 60.56 P ATOM 466 OP1 DG E 24 -7.014 26.274 109.936 1.00 59.59 O ATOM 467 OP2 DG E 24 -4.666 27.144 109.420 1.00 61.02 O ATOM 468 O5' DG E 24 -5.597 25.147 108.165 1.00 58.23 O ATOM 469 C5' DG E 24 -6.705 24.318 107.807 1.00 56.93 C ATOM 470 C4' DG E 24 -6.423 23.648 106.471 1.00 54.61 C ATOM 471 O4' DG E 24 -6.318 24.668 105.439 1.00 52.41 O ATOM 472 C3' DG E 24 -5.136 22.836 106.401 1.00 52.49 C ATOM 473 O3' DG E 24 -5.343 21.777 105.483 1.00 55.25 O ATOM 474 C2' DG E 24 -4.148 23.838 105.817 1.00 49.28 C ATOM 475 C1' DG E 24 -5.051 24.552 104.804 1.00 49.21 C ATOM 476 N9 DG E 24 -4.656 25.934 104.536 1.00 48.92 N ATOM 477 C8 DG E 24 -4.268 26.843 105.522 1.00 47.18 C ATOM 478 N7 DG E 24 -3.910 28.005 105.041 1.00 46.04 N ATOM 479 C5 DG E 24 -4.132 27.880 103.664 1.00 46.56 C ATOM 480 C6 DG E 24 -3.949 28.859 102.655 1.00 46.77 C ATOM 481 O6 DG E 24 -3.558 30.035 102.818 1.00 45.13 O ATOM 482 N1 DG E 24 -4.250 28.343 101.377 1.00 47.45 N ATOM 483 C2 DG E 24 -4.680 27.039 101.148 1.00 47.40 C ATOM 484 N2 DG E 24 -4.917 26.720 99.865 1.00 45.73 N ATOM 485 N3 DG E 24 -4.846 26.114 102.105 1.00 46.76 N ATOM 486 C4 DG E 24 -4.563 26.604 103.330 1.00 46.55 C ATOM 487 P DG E 25 -4.212 20.626 105.291 1.00 61.46 P ATOM 488 OP1 DG E 25 -4.961 19.366 104.994 1.00 61.31 O ATOM 489 OP2 DG E 25 -3.241 20.725 106.419 1.00 58.59 O ATOM 490 O5' DG E 25 -3.309 20.926 104.002 1.00 58.28 O ATOM 491 C5' DG E 25 -3.839 21.018 102.700 1.00 57.36 C ATOM 492 C4' DG E 25 -2.855 21.828 101.883 1.00 54.40 C ATOM 493 O4' DG E 25 -2.825 23.230 102.297 1.00 55.41 O ATOM 494 C3' DG E 25 -1.447 21.335 102.061 1.00 51.77 C ATOM 495 O3' DG E 25 -0.875 21.552 100.857 1.00 51.08 O ATOM 496 C2' DG E 25 -0.883 22.340 103.037 1.00 52.16 C ATOM 497 C1' DG E 25 -1.452 23.525 102.319 1.00 52.91 C ATOM 498 N9 DG E 25 -1.176 24.740 103.006 1.00 53.49 N ATOM 499 C8 DG E 25 -0.975 24.899 104.361 1.00 52.89 C ATOM 500 N7 DG E 25 -0.742 26.134 104.717 1.00 50.92 N ATOM 501 C5 DG E 25 -0.804 26.838 103.500 1.00 53.03 C ATOM 502 C6 DG E 25 -0.582 28.206 103.205 1.00 50.20 C ATOM 503 O6 DG E 25 -0.297 29.149 103.916 1.00 51.45 O ATOM 504 N1 DG E 25 -0.700 28.510 101.891 1.00 51.64 N ATOM 505 C2 DG E 25 -0.973 27.603 100.928 1.00 53.33 C ATOM 506 N2 DG E 25 -1.033 28.197 99.732 1.00 53.16 N ATOM 507 N3 DG E 25 -1.159 26.294 101.126 1.00 54.28 N ATOM 508 C4 DG E 25 -1.077 25.986 102.440 1.00 54.81 C ATOM 509 P DA E 26 -0.493 20.211 100.119 1.00 54.50 P ATOM 510 OP1 DA E 26 -1.694 19.339 100.349 1.00 55.01 O ATOM 511 OP2 DA E 26 0.839 19.740 100.340 1.00 43.78 O ATOM 512 O5' DA E 26 -0.319 20.683 98.622 1.00 51.06 O ATOM 513 C5' DA E 26 -1.293 21.447 97.942 1.00 45.93 C ATOM 514 C4' DA E 26 -0.590 22.390 96.965 1.00 44.55 C ATOM 515 O4' DA E 26 -0.203 23.654 97.619 1.00 42.60 O ATOM 516 C3' DA E 26 0.701 21.851 96.332 1.00 47.60 C ATOM 517 O3' DA E 26 0.551 22.109 94.944 1.00 47.15 O ATOM 518 C2' DA E 26 1.903 22.550 97.068 1.00 40.21 C ATOM 519 C1' DA E 26 1.219 23.833 97.563 1.00 43.85 C ATOM 520 N9 DA E 26 1.533 24.331 98.888 1.00 45.34 N ATOM 521 C8 DA E 26 1.506 23.662 100.075 1.00 44.33 C ATOM 522 N7 DA E 26 1.760 24.422 101.108 1.00 45.45 N ATOM 523 C5 DA E 26 1.997 25.680 100.593 1.00 46.29 C ATOM 524 C6 DA E 26 2.350 26.939 101.180 1.00 43.89 C ATOM 525 N6 DA E 26 2.532 27.127 102.492 1.00 39.11 N ATOM 526 N1 DA E 26 2.504 28.007 100.343 1.00 43.89 N ATOM 527 C2 DA E 26 2.278 27.807 99.045 1.00 43.89 C ATOM 528 N3 DA E 26 1.945 26.675 98.359 1.00 42.91 N ATOM 529 C4 DA E 26 1.821 25.641 99.208 1.00 47.23 C ATOM 530 P DG E 27 1.812 22.021 93.919 1.00 52.14 P ATOM 531 OP1 DG E 27 1.164 22.115 92.578 1.00 51.33 O ATOM 532 OP2 DG E 27 2.658 20.865 94.201 1.00 51.86 O ATOM 533 O5' DG E 27 2.725 23.312 94.186 1.00 50.62 O ATOM 534 C5' DG E 27 2.353 24.454 93.409 1.00 46.52 C ATOM 535 C4' DG E 27 3.298 25.570 93.659 1.00 46.25 C ATOM 536 O4' DG E 27 3.431 25.899 95.070 1.00 41.37 O ATOM 537 C3' DG E 27 4.631 25.035 93.211 1.00 47.38 C ATOM 538 O3' DG E 27 4.996 26.105 92.421 1.00 52.21 O ATOM 539 C2' DG E 27 5.455 24.942 94.494 1.00 45.00 C ATOM 540 C1' DG E 27 4.753 25.902 95.472 1.00 42.41 C ATOM 541 N9 DG E 27 4.810 25.554 96.914 1.00 44.12 N ATOM 542 C8 DG E 27 4.520 24.365 97.480 1.00 43.37 C ATOM 543 N7 DG E 27 4.691 24.307 98.774 1.00 43.22 N ATOM 544 C5 DG E 27 5.129 25.555 99.116 1.00 43.69 C ATOM 545 C6 DG E 27 5.432 26.100 100.407 1.00 44.36 C ATOM 546 O6 DG E 27 5.397 25.483 101.525 1.00 43.15 O ATOM 547 N1 DG E 27 5.864 27.430 100.319 1.00 41.22 N ATOM 548 C2 DG E 27 5.949 28.122 99.147 1.00 40.88 C ATOM 549 N2 DG E 27 6.384 29.393 99.169 1.00 41.44 N ATOM 550 N3 DG E 27 5.652 27.610 97.968 1.00 42.83 N ATOM 551 C4 DG E 27 5.236 26.322 98.001 1.00 43.18 C ATOM 552 P DG E 28 6.292 26.049 91.527 1.00 53.00 P ATOM 553 OP1 DG E 28 5.995 26.939 90.366 1.00 50.70 O ATOM 554 OP2 DG E 28 6.603 24.586 91.383 1.00 55.15 O ATOM 555 O5' DG E 28 7.517 26.683 92.359 1.00 48.30 O ATOM 556 C5' DG E 28 7.575 27.958 92.971 1.00 42.09 C ATOM 557 C4' DG E 28 8.756 27.812 93.918 1.00 44.72 C ATOM 558 O4' DG E 28 8.373 27.044 95.119 1.00 45.70 O ATOM 559 C3' DG E 28 9.984 27.054 93.401 1.00 43.05 C ATOM 560 O3' DG E 28 11.008 27.896 93.632 1.00 43.55 O ATOM 561 C2' DG E 28 10.099 25.802 94.280 1.00 39.03 C ATOM 562 C1' DG E 28 9.534 26.378 95.575 1.00 43.21 C ATOM 563 N9 DG E 28 9.112 25.519 96.702 1.00 44.38 N ATOM 564 C8 DG E 28 8.656 24.195 96.707 1.00 44.62 C ATOM 565 N7 DG E 28 8.389 23.706 97.911 1.00 43.62 N ATOM 566 C5 DG E 28 8.618 24.809 98.751 1.00 41.49 C ATOM 567 C6 DG E 28 8.488 24.892 100.147 1.00 41.15 C ATOM 568 O6 DG E 28 8.094 23.971 100.927 1.00 41.76 O ATOM 569 N1 DG E 28 8.885 26.172 100.595 1.00 43.19 N ATOM 570 C2 DG E 28 9.325 27.245 99.792 1.00 44.57 C ATOM 571 N2 DG E 28 9.705 28.425 100.357 1.00 40.87 N ATOM 572 N3 DG E 28 9.438 27.133 98.458 1.00 44.64 N ATOM 573 C4 DG E 28 9.070 25.907 98.028 1.00 42.90 C ATOM 574 P DA E 29 12.056 28.052 92.413 1.00 51.97 P ATOM 575 OP1 DA E 29 11.366 28.801 91.307 1.00 49.76 O ATOM 576 OP2 DA E 29 12.706 26.734 92.139 1.00 48.34 O ATOM 577 O5' DA E 29 13.034 29.091 93.165 1.00 47.58 O ATOM 578 C5' DA E 29 12.242 30.130 93.876 1.00 47.30 C ATOM 579 C4' DA E 29 12.948 30.717 95.104 1.00 48.73 C ATOM 580 O4' DA E 29 12.641 30.012 96.338 1.00 45.73 O ATOM 581 C3' DA E 29 14.505 30.743 95.105 1.00 49.30 C ATOM 582 O3' DA E 29 14.940 31.696 96.072 1.00 49.30 O ATOM 583 C2' DA E 29 14.858 29.354 95.586 1.00 44.51 C ATOM 584 C1' DA E 29 13.827 29.251 96.715 1.00 42.70 C ATOM 585 N9 DA E 29 13.388 27.867 96.904 1.00 42.40 N ATOM 586 C8 DA E 29 13.249 26.856 95.949 1.00 43.36 C ATOM 587 N7 DA E 29 12.809 25.705 96.478 1.00 44.10 N ATOM 588 C5 DA E 29 12.623 25.984 97.832 1.00 41.80 C ATOM 589 C6 DA E 29 12.153 25.219 98.949 1.00 43.55 C ATOM 590 N6 DA E 29 11.760 23.938 99.016 1.00 40.31 N ATOM 591 N1 DA E 29 12.108 25.878 100.103 1.00 41.27 N ATOM 592 C2 DA E 29 12.537 27.138 100.111 1.00 42.06 C ATOM 593 N3 DA E 29 12.985 27.949 99.187 1.00 38.55 N ATOM 594 C4 DA E 29 12.996 27.300 98.071 1.00 39.19 C ATOM 595 P DC E 30 16.485 32.046 96.171 1.00 53.98 P ATOM 596 OP1 DC E 30 16.388 33.497 96.487 1.00 52.08 O ATOM 597 OP2 DC E 30 17.391 31.500 95.151 1.00 45.32 O ATOM 598 O5' DC E 30 16.886 31.242 97.518 1.00 56.53 O ATOM 599 C5' DC E 30 15.922 31.308 98.631 1.00 53.71 C ATOM 600 C4' DC E 30 16.344 30.496 99.860 1.00 54.20 C ATOM 601 O4' DC E 30 15.793 29.153 99.822 1.00 53.47 O ATOM 602 C3' DC E 30 17.836 30.328 100.090 1.00 53.91 C ATOM 603 O3' DC E 30 18.059 30.595 101.422 1.00 54.78 O ATOM 604 C2' DC E 30 18.123 28.870 99.777 1.00 50.44 C ATOM 605 C1' DC E 30 16.788 28.241 100.144 1.00 46.47 C ATOM 606 N1 DC E 30 16.412 26.955 99.484 1.00 44.98 N ATOM 607 C2 DC E 30 15.887 25.985 100.339 1.00 44.07 C ATOM 608 O2 DC E 30 15.763 26.311 101.492 1.00 43.16 O ATOM 609 N3 DC E 30 15.510 24.752 99.911 1.00 43.20 N ATOM 610 C4 DC E 30 15.627 24.450 98.612 1.00 40.56 C ATOM 611 N4 DC E 30 15.233 23.226 98.246 1.00 38.48 N ATOM 612 C5 DC E 30 16.194 25.415 97.697 1.00 40.23 C ATOM 613 C6 DC E 30 16.554 26.656 98.154 1.00 41.12 C ATOM 614 P DT E 31 19.604 30.915 101.759 1.00 59.89 P ATOM 615 OP1 DT E 31 19.606 32.346 102.155 1.00 56.12 O ATOM 616 OP2 DT E 31 20.677 30.305 100.933 1.00 52.72 O ATOM 617 O5' DT E 31 19.556 30.000 103.074 1.00 53.88 O ATOM 618 C5' DT E 31 18.595 30.204 104.091 1.00 41.80 C ATOM 619 C4' DT E 31 18.699 29.010 105.009 1.00 42.63 C ATOM 620 O4' DT E 31 18.410 27.760 104.288 1.00 38.18 O ATOM 621 C3' DT E 31 20.140 28.831 105.551 1.00 41.69 C ATOM 622 O3' DT E 31 20.014 28.568 106.891 1.00 36.81 O ATOM 623 C2' DT E 31 20.766 27.713 104.682 1.00 37.16 C ATOM 624 C1' DT E 31 19.533 26.899 104.315 1.00 39.73 C ATOM 625 N1 DT E 31 19.478 26.111 103.089 1.00 42.67 N ATOM 626 C2 DT E 31 18.857 24.851 103.181 1.00 45.24 C ATOM 627 O2 DT E 31 18.394 24.279 104.079 1.00 48.87 O ATOM 628 N3 DT E 31 18.723 24.069 102.110 1.00 49.48 N ATOM 629 C4 DT E 31 19.138 24.452 100.873 1.00 45.93 C ATOM 630 O4 DT E 31 18.898 23.581 100.048 1.00 47.51 O ATOM 631 C5 DT E 31 19.812 25.754 100.732 1.00 44.61 C ATOM 632 C7 DT E 31 20.488 26.129 99.395 1.00 43.72 C ATOM 633 C6 DT E 31 19.922 26.546 101.851 1.00 40.88 C ATOM 634 P DG E 32 21.317 28.443 107.755 1.00 43.57 P ATOM 635 OP1 DG E 32 20.826 28.783 109.093 1.00 42.12 O ATOM 636 OP2 DG E 32 22.545 28.955 107.173 1.00 39.26 O ATOM 637 O5' DG E 32 21.694 26.853 107.777 1.00 39.86 O ATOM 638 C5' DG E 32 20.782 25.895 108.172 1.00 30.52 C ATOM 639 C4' DG E 32 21.444 24.595 107.890 1.00 33.51 C ATOM 640 O4' DG E 32 21.250 24.485 106.499 1.00 32.89 O ATOM 641 C3' DG E 32 22.973 24.437 108.073 1.00 31.83 C ATOM 642 O3' DG E 32 23.155 23.357 108.932 1.00 28.53 O ATOM 643 C2' DG E 32 23.405 24.069 106.713 1.00 32.35 C ATOM 644 C1' DG E 32 22.166 23.613 106.003 1.00 34.48 C ATOM 645 N9 DG E 32 22.286 23.818 104.532 1.00 37.67 N ATOM 646 C8 DG E 32 22.866 24.844 103.804 1.00 35.02 C ATOM 647 N7 DG E 32 22.773 24.539 102.516 1.00 37.37 N ATOM 648 C5 DG E 32 22.178 23.275 102.365 1.00 34.53 C ATOM 649 C6 DG E 32 21.833 22.446 101.233 1.00 35.46 C ATOM 650 O6 DG E 32 21.990 22.622 99.947 1.00 36.82 O ATOM 651 N1 DG E 32 21.252 21.236 101.638 1.00 33.56 N ATOM 652 C2 DG E 32 21.026 20.910 102.978 1.00 38.13 C ATOM 653 N2 DG E 32 20.468 19.697 103.260 1.00 36.65 N ATOM 654 N3 DG E 32 21.335 21.683 104.001 1.00 36.12 N ATOM 655 C4 DG E 32 21.905 22.832 103.618 1.00 36.58 C ATOM 656 P DT E 33 24.145 22.139 108.929 1.00 31.06 P ATOM 657 OP1 DT E 33 23.996 21.683 110.297 1.00 30.22 O ATOM 658 OP2 DT E 33 25.580 22.388 108.647 1.00 26.91 O ATOM 659 O5' DT E 33 23.448 21.153 107.901 1.00 31.23 O ATOM 660 C5' DT E 33 22.204 20.696 108.325 1.00 32.97 C ATOM 661 C4' DT E 33 21.908 19.305 107.815 1.00 32.63 C ATOM 662 O4' DT E 33 22.028 19.227 106.345 1.00 33.05 O ATOM 663 C3' DT E 33 22.835 18.252 108.380 1.00 33.53 C ATOM 664 O3' DT E 33 21.969 17.066 108.417 1.00 34.81 O ATOM 665 C2' DT E 33 23.880 18.153 107.321 1.00 33.23 C ATOM 666 C1' DT E 33 23.055 18.303 106.013 1.00 35.59 C ATOM 667 N1 DT E 33 23.651 19.046 104.804 1.00 35.75 N ATOM 668 C2 DT E 33 23.480 18.519 103.573 1.00 34.42 C ATOM 669 O2 DT E 33 22.880 17.521 103.360 1.00 34.92 O ATOM 670 N3 DT E 33 23.983 19.213 102.558 1.00 32.25 N ATOM 671 C4 DT E 33 24.661 20.377 102.598 1.00 29.78 C ATOM 672 O4 DT E 33 24.981 20.846 101.537 1.00 35.01 O ATOM 673 C5 DT E 33 24.863 20.948 103.868 1.00 30.85 C ATOM 674 C7 DT E 33 25.672 22.181 104.081 1.00 22.94 C ATOM 675 C6 DT E 33 24.367 20.233 104.921 1.00 36.54 C ATOM 676 P DC E 34 22.348 15.705 109.184 1.00 32.19 P ATOM 677 OP1 DC E 34 21.029 15.120 109.425 1.00 29.14 O ATOM 678 OP2 DC E 34 23.211 15.932 110.339 1.00 34.37 O ATOM 679 O5' DC E 34 23.303 14.921 108.150 1.00 35.77 O ATOM 680 C5' DC E 34 22.739 14.514 106.850 1.00 39.86 C ATOM 681 C4' DC E 34 23.836 13.882 105.959 1.00 40.51 C ATOM 682 O4' DC E 34 24.465 14.989 105.337 1.00 32.59 O ATOM 683 C3' DC E 34 24.996 13.229 106.697 1.00 41.35 C ATOM 684 O3' DC E 34 25.432 12.048 106.061 1.00 44.23 O ATOM 685 C2' DC E 34 26.109 14.260 106.639 1.00 38.32 C ATOM 686 C1' DC E 34 25.776 14.797 105.279 1.00 34.51 C ATOM 687 N1 DC E 34 26.408 16.051 104.917 1.00 36.05 N ATOM 688 C2 DC E 34 26.431 16.247 103.544 1.00 36.44 C ATOM 689 O2 DC E 34 25.860 15.334 102.910 1.00 38.64 O ATOM 690 N3 DC E 34 27.025 17.359 103.008 1.00 36.06 N ATOM 691 C4 DC E 34 27.597 18.186 103.904 1.00 35.73 C ATOM 692 N4 DC E 34 28.149 19.300 103.475 1.00 36.69 N ATOM 693 C5 DC E 34 27.544 18.030 105.329 1.00 32.81 C ATOM 694 C6 DC E 34 26.907 16.960 105.820 1.00 28.61 C ATOM 695 P DC E 35 24.914 10.613 106.572 1.00 45.55 P ATOM 696 OP1 DC E 35 23.443 10.644 106.372 1.00 45.40 O ATOM 697 OP2 DC E 35 25.497 10.139 107.793 1.00 40.21 O ATOM 698 O5' DC E 35 25.579 9.717 105.392 1.00 47.87 O ATOM 699 C5' DC E 35 26.921 9.934 104.909 1.00 46.51 C ATOM 700 C4' DC E 35 26.970 10.168 103.400 1.00 45.12 C ATOM 701 O4' DC E 35 26.749 11.562 103.088 1.00 42.45 O ATOM 702 C3' DC E 35 28.288 9.808 102.699 1.00 46.09 C ATOM 703 O3' DC E 35 28.265 8.444 102.348 1.00 45.40 O ATOM 704 C2' DC E 35 28.253 10.695 101.462 1.00 44.33 C ATOM 705 C1' DC E 35 27.564 11.933 102.004 1.00 41.10 C ATOM 706 N1 DC E 35 28.368 13.091 102.531 1.00 42.16 N ATOM 707 C2 DC E 35 28.857 14.007 101.586 1.00 40.35 C ATOM 708 O2 DC E 35 28.710 13.780 100.351 1.00 44.41 O ATOM 709 N3 DC E 35 29.496 15.105 102.014 1.00 37.52 N ATOM 710 C4 DC E 35 29.710 15.329 103.328 1.00 40.62 C ATOM 711 N4 DC E 35 30.405 16.472 103.651 1.00 39.07 N ATOM 712 C5 DC E 35 29.192 14.421 104.328 1.00 40.27 C ATOM 713 C6 DC E 35 28.542 13.319 103.894 1.00 42.58 C ATOM 714 P DT E 36 29.587 7.628 101.983 1.00 49.78 P ATOM 715 OP1 DT E 36 29.035 6.296 101.636 1.00 49.06 O ATOM 716 OP2 DT E 36 30.758 7.845 102.845 1.00 45.56 O ATOM 717 O5' DT E 36 30.040 8.372 100.671 1.00 49.00 O ATOM 718 C5' DT E 36 29.312 8.105 99.541 1.00 47.98 C ATOM 719 C4' DT E 36 30.098 8.814 98.467 1.00 47.99 C ATOM 720 O4' DT E 36 30.172 10.204 98.807 1.00 44.29 O ATOM 721 C3' DT E 36 31.546 8.320 98.260 1.00 47.22 C ATOM 722 O3' DT E 36 31.718 8.387 96.854 1.00 46.95 O ATOM 723 C2' DT E 36 32.406 9.385 98.873 1.00 44.98 C ATOM 724 C1' DT E 36 31.483 10.616 98.788 1.00 42.73 C ATOM 725 N1 DT E 36 31.753 11.519 99.861 1.00 41.84 N ATOM 726 C2 DT E 36 32.208 12.776 99.497 1.00 41.77 C ATOM 727 O2 DT E 36 32.321 13.117 98.381 1.00 39.44 O ATOM 728 N3 DT E 36 32.552 13.664 100.471 1.00 42.14 N ATOM 729 C4 DT E 36 32.542 13.366 101.827 1.00 42.66 C ATOM 730 O4 DT E 36 32.892 14.252 102.618 1.00 43.76 O ATOM 731 C5 DT E 36 32.097 12.007 102.193 1.00 40.18 C ATOM 732 C7 DT E 36 31.991 11.592 103.621 1.00 34.58 C ATOM 733 C6 DT E 36 31.738 11.134 101.197 1.00 43.14 C ATOM 734 P DC E 37 32.793 7.532 96.097 1.00 46.60 P ATOM 735 OP1 DC E 37 32.199 7.506 94.721 1.00 47.50 O ATOM 736 OP2 DC E 37 33.220 6.317 96.846 1.00 39.33 O ATOM 737 O5' DC E 37 34.001 8.569 96.135 1.00 43.63 O ATOM 738 C5' DC E 37 33.849 9.808 95.454 1.00 39.55 C ATOM 739 C4' DC E 37 35.013 10.718 95.753 1.00 36.57 C ATOM 740 O4' DC E 37 34.981 11.019 97.149 1.00 36.23 O ATOM 741 C3' DC E 37 36.385 10.064 95.559 1.00 37.44 C ATOM 742 O3' DC E 37 37.282 11.014 94.954 1.00 38.27 O ATOM 743 C2' DC E 37 36.792 9.620 96.973 1.00 35.31 C ATOM 744 C1' DC E 37 36.291 10.902 97.630 1.00 35.05 C ATOM 745 N1 DC E 37 36.017 11.026 99.044 1.00 35.93 N ATOM 746 C2 DC E 37 36.244 12.287 99.569 1.00 37.81 C ATOM 747 O2 DC E 37 36.712 13.088 98.770 1.00 40.47 O ATOM 748 N3 DC E 37 35.997 12.591 100.852 1.00 36.99 N ATOM 749 C4 DC E 37 35.554 11.645 101.674 1.00 39.99 C ATOM 750 N4 DC E 37 35.312 11.913 102.997 1.00 38.76 N ATOM 751 C5 DC E 37 35.281 10.352 101.132 1.00 40.03 C ATOM 752 C6 DC E 37 35.537 10.064 99.841 1.00 36.36 C ATOM 753 P DC E 38 38.122 10.629 93.628 1.00 40.56 P ATOM 754 OP1 DC E 38 37.059 10.106 92.753 1.00 44.77 O ATOM 755 OP2 DC E 38 39.322 9.862 93.994 1.00 41.93 O ATOM 756 O5' DC E 38 38.591 12.056 93.028 1.00 38.62 O ATOM 757 C5' DC E 38 37.626 13.126 92.793 1.00 30.91 C ATOM 758 C4' DC E 38 38.318 14.367 93.348 1.00 34.77 C ATOM 759 O4' DC E 38 38.373 14.367 94.813 1.00 33.28 O ATOM 760 C3' DC E 38 39.756 14.507 92.894 1.00 37.66 C ATOM 761 O3' DC E 38 39.868 15.754 92.241 1.00 42.42 O ATOM 762 C2' DC E 38 40.654 14.355 94.127 1.00 32.74 C ATOM 763 C1' DC E 38 39.674 14.586 95.261 1.00 36.43 C ATOM 764 N1 DC E 38 39.738 13.726 96.502 1.00 36.50 N ATOM 765 C2 DC E 38 39.770 14.421 97.705 1.00 36.25 C ATOM 766 O2 DC E 38 39.741 15.635 97.567 1.00 38.04 O ATOM 767 N3 DC E 38 39.797 13.793 98.933 1.00 38.57 N ATOM 768 C4 DC E 38 39.834 12.435 98.913 1.00 40.26 C ATOM 769 N4 DC E 38 39.874 11.803 100.089 1.00 38.15 N ATOM 770 C5 DC E 38 39.849 11.664 97.683 1.00 37.61 C ATOM 771 C6 DC E 38 39.785 12.348 96.519 1.00 37.66 C ATOM 772 P DG E 39 41.272 16.121 91.587 1.00 48.53 P ATOM 773 OP1 DG E 39 40.992 17.364 90.869 1.00 48.63 O ATOM 774 OP2 DG E 39 42.049 14.970 91.053 1.00 47.02 O ATOM 775 O5' DG E 39 42.068 16.477 92.911 1.00 50.94 O ATOM 776 C5' DG E 39 42.161 17.804 93.413 1.00 52.69 C ATOM 777 C4' DG E 39 43.430 17.880 94.272 1.00 50.77 C ATOM 778 O4' DG E 39 43.245 16.938 95.379 1.00 48.05 O ATOM 779 C3' DG E 39 44.728 17.536 93.523 1.00 50.61 C ATOM 780 O3' DG E 39 45.762 18.682 93.366 1.00 55.35 O ATOM 781 C2' DG E 39 45.120 16.156 94.127 1.00 45.44 C ATOM 782 C1' DG E 39 44.420 16.108 95.505 1.00 44.91 C ATOM 783 N9 DG E 39 44.017 14.792 96.140 1.00 44.85 N ATOM 784 C8 DG E 39 43.778 13.551 95.520 1.00 42.38 C ATOM 785 N7 DG E 39 43.383 12.590 96.333 1.00 41.12 N ATOM 786 C5 DG E 39 43.356 13.210 97.603 1.00 42.85 C ATOM 787 C6 DG E 39 43.057 12.666 98.897 1.00 43.60 C ATOM 788 O6 DG E 39 42.697 11.537 99.282 1.00 43.08 O ATOM 789 N1 DG E 39 43.147 13.627 99.869 1.00 42.72 N ATOM 790 C2 DG E 39 43.510 14.925 99.662 1.00 41.29 C ATOM 791 N2 DG E 39 43.515 15.594 100.818 1.00 41.94 N ATOM 792 N3 DG E 39 43.810 15.487 98.498 1.00 39.15 N ATOM 793 C4 DG E 39 43.725 14.564 97.504 1.00 42.73 C ATOM 794 P DG E 40 46.516 19.638 94.477 1.00 58.35 P ATOM 795 OP1 DG E 40 45.696 20.841 94.629 1.00 58.24 O ATOM 796 OP2 DG E 40 47.948 19.824 94.195 1.00 54.86 O ATOM 797 O5' DG E 40 46.418 18.861 95.861 1.00 58.74 O ATOM 798 C5' DG E 40 45.655 19.417 96.969 1.00 59.87 C ATOM 799 C4' DG E 40 46.541 20.008 98.065 1.00 57.77 C ATOM 800 O4' DG E 40 46.846 18.963 99.018 1.00 56.65 O ATOM 801 C3' DG E 40 47.918 20.502 97.620 1.00 56.75 C ATOM 802 O3' DG E 40 48.505 21.221 98.675 1.00 55.46 O ATOM 803 C2' DG E 40 48.666 19.192 97.430 1.00 56.57 C ATOM 804 C1' DG E 40 47.978 18.299 98.484 1.00 55.36 C ATOM 805 N9 DG E 40 47.674 16.927 98.013 1.00 55.73 N ATOM 806 C8 DG E 40 47.771 16.341 96.732 1.00 55.25 C ATOM 807 N7 DG E 40 47.467 15.052 96.695 1.00 54.03 N ATOM 808 C5 DG E 40 47.162 14.781 98.037 1.00 54.54 C ATOM 809 C6 DG E 40 46.777 13.572 98.644 1.00 54.76 C ATOM 810 O6 DG E 40 46.634 12.488 98.038 1.00 56.02 O ATOM 811 N1 DG E 40 46.602 13.726 100.035 1.00 53.40 N ATOM 812 C2 DG E 40 46.779 14.915 100.749 1.00 53.27 C ATOM 813 N2 DG E 40 46.589 14.948 102.092 1.00 54.01 N ATOM 814 N3 DG E 40 47.116 16.055 100.182 1.00 51.72 N ATOM 815 C4 DG E 40 47.295 15.904 98.850 1.00 53.88 C TER 816 DG E 40 ATOM 817 N GLU A 8 26.631 3.531 95.847 1.00 60.37 N ATOM 818 CA GLU A 8 26.245 4.795 96.532 1.00 60.12 C ATOM 819 C GLU A 8 26.782 4.838 97.971 1.00 59.44 C ATOM 820 O GLU A 8 27.588 5.712 98.303 1.00 59.54 O ATOM 821 CB GLU A 8 24.741 5.034 96.484 1.00 59.90 C ATOM 822 CG GLU A 8 24.345 6.546 96.384 1.00 62.63 C ATOM 823 CD GLU A 8 25.482 7.546 96.748 1.00 63.58 C ATOM 824 OE1 GLU A 8 25.295 8.367 97.688 1.00 64.76 O ATOM 825 OE2 GLU A 8 26.545 7.522 96.092 1.00 58.35 O ATOM 826 N GLN A 9 26.351 3.908 98.819 1.00 58.24 N ATOM 827 CA GLN A 9 27.050 3.707 100.075 1.00 57.13 C ATOM 828 C GLN A 9 28.436 3.207 99.738 1.00 55.38 C ATOM 829 O GLN A 9 28.615 2.338 98.870 1.00 55.77 O ATOM 830 CB GLN A 9 26.346 2.674 100.922 1.00 58.31 C ATOM 831 CG GLN A 9 25.975 3.157 102.306 1.00 62.11 C ATOM 832 CD GLN A 9 26.556 2.274 103.394 1.00 66.16 C ATOM 833 OE1 GLN A 9 27.759 1.995 103.402 1.00 66.20 O ATOM 834 NE2 GLN A 9 25.709 1.851 104.336 1.00 67.07 N ATOM 835 N ALA A 10 29.422 3.794 100.396 1.00 53.09 N ATOM 836 CA ALA A 10 30.808 3.391 100.292 1.00 49.99 C ATOM 837 C ALA A 10 31.078 2.445 101.445 1.00 49.54 C ATOM 838 O ALA A 10 30.278 2.372 102.360 1.00 49.50 O ATOM 839 CB ALA A 10 31.703 4.601 100.370 1.00 48.62 C ATOM 840 N CYS A 11 32.208 1.745 101.430 1.00 49.69 N ATOM 841 CA CYS A 11 32.467 0.671 102.402 1.00 51.00 C ATOM 842 C CYS A 11 33.151 1.241 103.637 1.00 50.94 C ATOM 843 O CYS A 11 33.907 2.215 103.507 1.00 50.42 O ATOM 844 CB CYS A 11 33.298 -0.489 101.784 1.00 50.58 C ATOM 845 SG CYS A 11 35.139 -0.286 101.884 1.00 53.01 S ATOM 846 N ASP A 12 32.899 0.618 104.800 1.00 51.15 N ATOM 847 CA ASP A 12 33.393 1.074 106.115 1.00 51.99 C ATOM 848 C ASP A 12 34.797 1.690 105.993 1.00 52.47 C ATOM 849 O ASP A 12 35.099 2.844 106.402 1.00 52.41 O ATOM 850 CB ASP A 12 33.419 -0.122 107.090 1.00 52.17 C ATOM 851 CG ASP A 12 31.997 -0.512 107.695 1.00 54.35 C ATOM 852 OD1 ASP A 12 30.918 0.146 107.473 1.00 50.24 O ATOM 853 OD2 ASP A 12 31.997 -1.537 108.440 1.00 57.10 O ATOM 854 N ILE A 13 35.651 0.885 105.375 1.00 53.26 N ATOM 855 CA ILE A 13 37.046 1.177 105.194 1.00 53.37 C ATOM 856 C ILE A 13 37.267 2.294 104.171 1.00 52.17 C ATOM 857 O ILE A 13 37.803 3.352 104.536 1.00 51.71 O ATOM 858 CB ILE A 13 37.718 -0.122 104.777 1.00 55.33 C ATOM 859 CG1 ILE A 13 37.348 -1.283 105.774 1.00 58.61 C ATOM 860 CG2 ILE A 13 39.246 0.066 104.441 1.00 55.71 C ATOM 861 CD1 ILE A 13 37.935 -1.183 107.239 1.00 64.16 C ATOM 862 N CYS A 14 36.857 2.103 102.908 1.00 50.85 N ATOM 863 CA CYS A 14 36.987 3.220 101.968 1.00 49.90 C ATOM 864 C CYS A 14 36.457 4.475 102.687 1.00 50.84 C ATOM 865 O CYS A 14 36.991 5.557 102.510 1.00 50.83 O ATOM 866 CB CYS A 14 36.256 3.034 100.612 1.00 49.73 C ATOM 867 SG CYS A 14 36.656 1.568 99.518 1.00 41.27 S ATOM 868 N ARG A 15 35.416 4.305 103.514 1.00 52.19 N ATOM 869 CA ARG A 15 34.792 5.386 104.304 1.00 52.55 C ATOM 870 C ARG A 15 35.867 5.995 105.254 1.00 53.10 C ATOM 871 O ARG A 15 36.121 7.205 105.190 1.00 52.91 O ATOM 872 CB ARG A 15 33.547 4.847 105.049 1.00 52.44 C ATOM 873 CG ARG A 15 32.632 5.839 105.789 1.00 53.45 C ATOM 874 CD ARG A 15 31.236 5.943 105.137 1.00 61.36 C ATOM 875 NE ARG A 15 30.136 5.235 105.814 1.00 64.55 N ATOM 876 CZ ARG A 15 28.901 5.070 105.315 1.00 66.79 C ATOM 877 NH1 ARG A 15 28.586 5.530 104.104 1.00 68.79 N ATOM 878 NH2 ARG A 15 27.971 4.422 106.019 1.00 66.67 N ATOM 879 N LEU A 16 36.537 5.177 106.071 1.00 53.17 N ATOM 880 CA LEU A 16 37.530 5.719 106.950 1.00 54.66 C ATOM 881 C LEU A 16 38.786 6.176 106.240 1.00 54.77 C ATOM 882 O LEU A 16 39.460 7.117 106.675 1.00 54.77 O ATOM 883 CB LEU A 16 37.935 4.658 107.882 1.00 56.45 C ATOM 884 CG LEU A 16 37.695 4.825 109.353 1.00 61.60 C ATOM 885 CD1 LEU A 16 36.434 4.007 109.728 1.00 63.44 C ATOM 886 CD2 LEU A 16 39.048 4.173 109.894 1.00 64.42 C ATOM 887 N LYS A 17 39.127 5.514 105.145 1.00 54.16 N ATOM 888 CA LYS A 17 40.313 5.916 104.458 1.00 53.99 C ATOM 889 C LYS A 17 40.034 7.021 103.472 1.00 53.43 C ATOM 890 O LYS A 17 40.936 7.704 102.978 1.00 53.79 O ATOM 891 CB LYS A 17 40.958 4.723 103.829 1.00 54.81 C ATOM 892 CG LYS A 17 41.342 3.668 104.922 1.00 57.48 C ATOM 893 CD LYS A 17 42.540 2.740 104.537 1.00 60.97 C ATOM 894 CE LYS A 17 43.097 1.902 105.736 1.00 59.72 C ATOM 895 NZ LYS A 17 43.767 2.788 106.748 1.00 63.86 N ATOM 896 N LYS A 18 38.763 7.225 103.195 1.00 52.55 N ATOM 897 CA LYS A 18 38.382 8.266 102.280 1.00 51.33 C ATOM 898 C LYS A 18 38.841 8.121 100.811 1.00 50.82 C ATOM 899 O LYS A 18 39.113 9.137 100.149 1.00 49.91 O ATOM 900 CB LYS A 18 38.864 9.601 102.840 1.00 51.95 C ATOM 901 CG LYS A 18 37.957 10.172 103.970 1.00 51.22 C ATOM 902 CD LYS A 18 38.456 11.533 104.398 1.00 49.34 C ATOM 903 CE LYS A 18 37.938 11.981 105.766 1.00 48.06 C ATOM 904 NZ LYS A 18 37.900 13.500 105.583 1.00 48.60 N ATOM 905 N LEU A 19 38.877 6.906 100.273 1.00 50.31 N ATOM 906 CA LEU A 19 39.247 6.744 98.849 1.00 51.74 C ATOM 907 C LEU A 19 37.996 6.385 98.167 1.00 52.50 C ATOM 908 O LEU A 19 37.005 6.181 98.836 1.00 53.23 O ATOM 909 CB LEU A 19 40.202 5.607 98.624 1.00 51.41 C ATOM 910 CG LEU A 19 41.024 5.491 99.893 1.00 50.03 C ATOM 911 CD1 LEU A 19 41.250 4.086 100.100 1.00 46.53 C ATOM 912 CD2 LEU A 19 42.276 6.282 99.752 1.00 50.71 C ATOM 913 N LYS A 20 38.040 6.325 96.839 1.00 52.35 N ATOM 914 CA LYS A 20 36.852 6.095 96.044 1.00 51.37 C ATOM 915 C LYS A 20 36.493 4.665 96.312 1.00 50.60 C ATOM 916 O LYS A 20 37.379 3.862 96.394 1.00 50.76 O ATOM 917 CB LYS A 20 37.219 6.276 94.578 1.00 50.94 C ATOM 918 CG LYS A 20 36.082 6.140 93.632 1.00 51.80 C ATOM 919 CD LYS A 20 36.171 7.180 92.513 1.00 53.66 C ATOM 920 CE LYS A 20 35.289 6.814 91.334 1.00 52.33 C ATOM 921 NZ LYS A 20 36.001 5.616 90.725 1.00 52.52 N ATOM 922 N CYS A 21 35.224 4.334 96.497 1.00 50.03 N ATOM 923 CA CYS A 21 34.874 2.940 96.677 1.00 51.48 C ATOM 924 C CYS A 21 34.370 2.335 95.359 1.00 53.85 C ATOM 925 O CYS A 21 33.618 3.016 94.653 1.00 52.78 O ATOM 926 CB CYS A 21 33.813 2.765 97.715 1.00 50.15 C ATOM 927 SG CYS A 21 33.890 1.173 98.401 1.00 48.53 S ATOM 928 N SER A 22 34.789 1.091 95.025 1.00 56.50 N ATOM 929 CA SER A 22 34.253 0.431 93.822 1.00 60.14 C ATOM 930 C SER A 22 32.789 0.061 94.096 1.00 62.84 C ATOM 931 O SER A 22 31.942 0.111 93.180 1.00 63.49 O ATOM 932 CB SER A 22 35.063 -0.791 93.397 1.00 59.79 C ATOM 933 OG SER A 22 34.601 -1.995 93.985 1.00 59.82 O ATOM 934 N LYS A 23 32.513 -0.268 95.373 1.00 65.50 N ATOM 935 CA LYS A 23 31.156 -0.555 95.936 1.00 67.79 C ATOM 936 C LYS A 23 30.586 -1.989 95.695 1.00 69.32 C ATOM 937 O LYS A 23 29.522 -2.349 96.259 1.00 69.65 O ATOM 938 CB LYS A 23 30.130 0.548 95.586 1.00 67.65 C ATOM 939 CG LYS A 23 30.503 1.913 96.129 1.00 67.63 C ATOM 940 CD LYS A 23 29.800 3.021 95.393 1.00 67.28 C ATOM 941 CE LYS A 23 30.632 4.289 95.465 1.00 67.37 C ATOM 942 NZ LYS A 23 29.718 5.444 95.281 1.00 69.30 N ATOM 943 N GLU A 24 31.318 -2.800 94.913 1.00 70.77 N ATOM 944 CA GLU A 24 30.875 -4.155 94.558 1.00 72.41 C ATOM 945 C GLU A 24 30.633 -4.971 95.840 1.00 73.41 C ATOM 946 O GLU A 24 31.312 -4.765 96.861 1.00 73.87 O ATOM 947 CB GLU A 24 31.808 -4.847 93.502 1.00 72.35 C ATOM 948 CG GLU A 24 33.271 -5.184 93.922 1.00 72.64 C ATOM 949 CD GLU A 24 34.346 -4.990 92.808 1.00 72.19 C ATOM 950 OE1 GLU A 24 34.036 -4.442 91.729 1.00 72.08 O ATOM 951 OE2 GLU A 24 35.525 -5.368 93.027 1.00 71.26 O ATOM 952 N LYS A 25 29.620 -5.834 95.805 1.00 74.21 N ATOM 953 CA LYS A 25 29.266 -6.653 96.960 1.00 74.87 C ATOM 954 C LYS A 25 29.579 -8.123 96.612 1.00 75.08 C ATOM 955 O LYS A 25 29.473 -8.499 95.443 1.00 75.04 O ATOM 956 CB LYS A 25 27.800 -6.371 97.402 1.00 75.08 C ATOM 957 CG LYS A 25 27.570 -4.899 97.953 1.00 75.17 C ATOM 958 CD LYS A 25 26.438 -4.732 99.013 1.00 74.88 C ATOM 959 CE LYS A 25 25.080 -4.188 98.461 1.00 74.14 C ATOM 960 NZ LYS A 25 24.080 -5.255 98.136 1.00 71.46 N ATOM 961 N PRO A 26 30.025 -8.946 97.598 1.00 75.51 N ATOM 962 CA PRO A 26 30.193 -8.717 99.054 1.00 75.85 C ATOM 963 C PRO A 26 31.505 -8.041 99.463 1.00 76.18 C ATOM 964 O PRO A 26 31.497 -7.178 100.341 1.00 76.12 O ATOM 965 CB PRO A 26 30.124 -10.124 99.642 1.00 75.70 C ATOM 966 CG PRO A 26 30.609 -11.038 98.519 1.00 75.69 C ATOM 967 CD PRO A 26 30.444 -10.308 97.207 1.00 75.36 C ATOM 968 N LYS A 27 32.612 -8.432 98.834 1.00 76.47 N ATOM 969 CA LYS A 27 33.906 -7.753 99.011 1.00 76.87 C ATOM 970 C LYS A 27 34.174 -6.769 97.818 1.00 77.11 C ATOM 971 O LYS A 27 33.904 -7.139 96.658 1.00 77.23 O ATOM 972 CB LYS A 27 35.040 -8.799 99.179 1.00 77.05 C ATOM 973 CG LYS A 27 34.958 -9.672 100.463 1.00 77.23 C ATOM 974 CD LYS A 27 35.957 -10.854 100.463 1.00 76.79 C ATOM 975 CE LYS A 27 37.164 -10.613 101.394 1.00 76.31 C ATOM 976 NZ LYS A 27 38.419 -10.137 100.716 1.00 75.28 N ATOM 977 N CYS A 28 34.672 -5.541 98.097 1.00 76.67 N ATOM 978 CA CYS A 28 34.969 -4.519 97.047 1.00 75.98 C ATOM 979 C CYS A 28 36.466 -4.381 96.672 1.00 76.26 C ATOM 980 O CYS A 28 37.334 -4.893 97.395 1.00 76.34 O ATOM 981 CB CYS A 28 34.419 -3.162 97.464 1.00 75.78 C ATOM 982 SG CYS A 28 35.330 -2.423 98.803 1.00 72.74 S ATOM 983 N ALA A 29 36.746 -3.718 95.534 1.00 76.26 N ATOM 984 CA ALA A 29 38.117 -3.323 95.086 1.00 75.88 C ATOM 985 C ALA A 29 39.252 -3.657 96.072 1.00 75.42 C ATOM 986 O ALA A 29 39.657 -4.812 96.187 1.00 75.61 O ATOM 987 CB ALA A 29 38.143 -1.796 94.759 1.00 76.32 C ATOM 988 N LYS A 30 39.746 -2.626 96.771 1.00 74.90 N ATOM 989 CA LYS A 30 40.732 -2.743 97.864 1.00 74.24 C ATOM 990 C LYS A 30 40.475 -3.911 98.815 1.00 73.74 C ATOM 991 O LYS A 30 41.361 -4.755 99.027 1.00 74.67 O ATOM 992 CB LYS A 30 40.782 -1.457 98.715 1.00 74.50 C ATOM 993 CG LYS A 30 41.682 -0.326 98.222 1.00 74.90 C ATOM 994 CD LYS A 30 42.565 0.187 99.380 1.00 74.38 C ATOM 995 CE LYS A 30 43.546 1.331 98.998 1.00 74.96 C ATOM 996 NZ LYS A 30 43.863 1.549 97.545 1.00 72.48 N ATOM 997 N CYS A 31 39.272 -3.961 99.394 1.00 72.75 N ATOM 998 CA CYS A 31 38.950 -4.947 100.447 1.00 71.62 C ATOM 999 C CYS A 31 39.168 -6.396 99.902 1.00 71.79 C ATOM 1000 O CYS A 31 39.526 -7.299 100.657 1.00 71.07 O ATOM 1001 CB CYS A 31 37.543 -4.719 101.106 1.00 71.33 C ATOM 1002 SG CYS A 31 37.099 -3.195 102.313 1.00 67.96 S ATOM 1003 N LEU A 32 38.994 -6.602 98.593 1.00 71.76 N ATOM 1004 CA LEU A 32 39.349 -7.890 98.026 1.00 72.52 C ATOM 1005 C LEU A 32 40.855 -7.975 97.918 1.00 73.12 C ATOM 1006 O LEU A 32 41.456 -8.950 98.401 1.00 72.64 O ATOM 1007 CB LEU A 32 38.671 -8.175 96.672 1.00 72.66 C ATOM 1008 CG LEU A 32 38.651 -9.660 96.195 1.00 71.81 C ATOM 1009 CD1 LEU A 32 38.390 -10.706 97.319 1.00 69.38 C ATOM 1010 CD2 LEU A 32 37.664 -9.874 95.021 1.00 72.05 C ATOM 1011 N LYS A 33 41.444 -6.930 97.321 1.00 73.75 N ATOM 1012 CA LYS A 33 42.892 -6.830 97.122 1.00 74.30 C ATOM 1013 C LYS A 33 43.611 -7.106 98.419 1.00 74.91 C ATOM 1014 O LYS A 33 44.046 -8.208 98.654 1.00 74.92 O ATOM 1015 CB LYS A 33 43.290 -5.449 96.616 1.00 73.85 C ATOM 1016 CG LYS A 33 42.862 -5.136 95.207 1.00 73.57 C ATOM 1017 CD LYS A 33 43.808 -4.129 94.593 1.00 72.99 C ATOM 1018 CE LYS A 33 45.242 -4.451 95.002 1.00 72.74 C ATOM 1019 NZ LYS A 33 46.181 -4.382 93.850 1.00 72.98 N ATOM 1020 N ASN A 34 43.691 -6.102 99.278 1.00 76.10 N ATOM 1021 CA ASN A 34 44.438 -6.191 100.532 1.00 77.26 C ATOM 1022 C ASN A 34 43.870 -7.214 101.481 1.00 77.50 C ATOM 1023 O ASN A 34 44.183 -7.207 102.686 1.00 77.05 O ATOM 1024 CB ASN A 34 44.452 -4.820 101.201 1.00 77.95 C ATOM 1025 CG ASN A 34 45.430 -3.869 100.538 1.00 79.11 C ATOM 1026 OD1 ASN A 34 45.035 -2.850 99.934 1.00 77.93 O ATOM 1027 ND2 ASN A 34 46.728 -4.220 100.618 1.00 79.15 N ATOM 1028 N ASN A 35 43.035 -8.083 100.900 1.00 78.28 N ATOM 1029 CA ASN A 35 42.357 -9.159 101.589 1.00 79.21 C ATOM 1030 C ASN A 35 41.847 -8.580 102.894 1.00 80.15 C ATOM 1031 O ASN A 35 42.364 -8.876 103.979 1.00 80.33 O ATOM 1032 CB ASN A 35 43.323 -10.323 101.801 1.00 79.33 C ATOM 1033 CG ASN A 35 42.620 -11.640 102.010 1.00 78.93 C ATOM 1034 OD1 ASN A 35 41.623 -11.718 102.737 1.00 77.89 O ATOM 1035 ND2 ASN A 35 43.150 -12.695 101.387 1.00 77.13 N ATOM 1036 N TRP A 36 40.849 -7.709 102.756 1.00 81.07 N ATOM 1037 CA TRP A 36 40.349 -6.902 103.854 1.00 81.79 C ATOM 1038 C TRP A 36 38.898 -7.202 104.275 1.00 81.50 C ATOM 1039 O TRP A 36 38.067 -7.677 103.476 1.00 81.34 O ATOM 1040 CB TRP A 36 40.551 -5.416 103.540 1.00 82.84 C ATOM 1041 CG TRP A 36 41.749 -4.822 104.225 1.00 84.83 C ATOM 1042 CD1 TRP A 36 42.366 -5.315 105.339 1.00 86.21 C ATOM 1043 CD2 TRP A 36 42.457 -3.607 103.875 1.00 85.89 C ATOM 1044 NE1 TRP A 36 43.412 -4.498 105.694 1.00 87.60 N ATOM 1045 CE2 TRP A 36 43.492 -3.443 104.819 1.00 86.37 C ATOM 1046 CE3 TRP A 36 42.326 -2.654 102.852 1.00 86.00 C ATOM 1047 CZ2 TRP A 36 44.399 -2.356 104.776 1.00 85.43 C ATOM 1048 CZ3 TRP A 36 43.235 -1.561 102.815 1.00 85.39 C ATOM 1049 CH2 TRP A 36 44.249 -1.431 103.770 1.00 85.05 C ATOM 1050 N GLU A 37 38.634 -6.931 105.554 1.00 81.10 N ATOM 1051 CA GLU A 37 37.350 -7.173 106.220 1.00 80.36 C ATOM 1052 C GLU A 37 36.276 -6.105 105.772 1.00 80.04 C ATOM 1053 O GLU A 37 35.984 -5.128 106.512 1.00 80.19 O ATOM 1054 CB GLU A 37 37.635 -7.163 107.737 1.00 80.75 C ATOM 1055 CG GLU A 37 36.597 -7.799 108.647 1.00 82.33 C ATOM 1056 CD GLU A 37 36.314 -6.937 109.920 1.00 84.18 C ATOM 1057 OE1 GLU A 37 35.869 -5.764 109.810 1.00 80.27 O ATOM 1058 OE2 GLU A 37 36.541 -7.453 111.038 1.00 86.29 O ATOM 1059 N CYS A 38 35.706 -6.306 104.565 1.00 78.61 N ATOM 1060 CA CYS A 38 34.858 -5.304 103.835 1.00 78.34 C ATOM 1061 C CYS A 38 33.427 -5.206 104.321 1.00 77.70 C ATOM 1062 O CYS A 38 32.593 -6.044 103.950 1.00 77.38 O ATOM 1063 CB CYS A 38 34.795 -5.628 102.332 1.00 78.12 C ATOM 1064 SG CYS A 38 33.753 -4.557 101.245 1.00 76.24 S ATOM 1065 N ARG A 39 33.117 -4.180 105.117 1.00 77.09 N ATOM 1066 CA ARG A 39 31.709 -4.005 105.530 1.00 76.31 C ATOM 1067 C ARG A 39 31.009 -2.754 105.014 1.00 74.03 C ATOM 1068 O ARG A 39 31.628 -1.704 104.867 1.00 73.75 O ATOM 1069 CB ARG A 39 31.498 -4.273 107.032 1.00 76.26 C ATOM 1070 CG ARG A 39 31.380 -5.825 107.352 1.00 78.42 C ATOM 1071 CD ARG A 39 31.996 -6.265 108.703 1.00 78.54 C ATOM 1072 NE ARG A 39 31.461 -5.531 109.862 1.00 83.36 N ATOM 1073 CZ ARG A 39 31.888 -4.333 110.298 1.00 86.35 C ATOM 1074 NH1 ARG A 39 32.881 -3.659 109.675 1.00 86.77 N ATOM 1075 NH2 ARG A 39 31.304 -3.790 111.372 1.00 87.29 N ATOM 1076 N TYR A 40 29.744 -2.947 104.649 1.00 72.32 N ATOM 1077 CA TYR A 40 28.779 -1.881 104.384 1.00 71.11 C ATOM 1078 C TYR A 40 27.875 -1.704 105.609 1.00 69.75 C ATOM 1079 O TYR A 40 26.745 -2.159 105.620 1.00 69.23 O ATOM 1080 CB TYR A 40 27.970 -2.189 103.105 1.00 71.16 C ATOM 1081 CG TYR A 40 28.872 -2.223 101.898 1.00 71.44 C ATOM 1082 CD1 TYR A 40 29.486 -3.409 101.500 1.00 72.12 C ATOM 1083 CD2 TYR A 40 29.163 -1.060 101.185 1.00 71.96 C ATOM 1084 CE1 TYR A 40 30.361 -3.450 100.407 1.00 72.74 C ATOM 1085 CE2 TYR A 40 30.035 -1.075 100.090 1.00 73.14 C ATOM 1086 CZ TYR A 40 30.638 -2.282 99.705 1.00 73.16 C ATOM 1087 OH TYR A 40 31.510 -2.333 98.636 1.00 72.11 O ATOM 1088 N SER A 41 28.402 -1.072 106.643 1.00 68.63 N ATOM 1089 CA SER A 41 27.660 -0.927 107.880 1.00 69.79 C ATOM 1090 C SER A 41 26.377 -0.087 107.731 1.00 69.27 C ATOM 1091 O SER A 41 26.360 0.899 106.994 1.00 68.44 O ATOM 1092 CB SER A 41 28.543 -0.333 108.982 1.00 70.48 C ATOM 1093 OG SER A 41 29.541 -1.281 109.343 1.00 72.73 O ATOM 1094 N PRO A 42 25.291 -0.500 108.426 1.00 69.20 N ATOM 1095 CA PRO A 42 23.993 0.165 108.257 1.00 68.77 C ATOM 1096 C PRO A 42 23.955 1.632 108.705 1.00 67.91 C ATOM 1097 O PRO A 42 24.697 2.079 109.572 1.00 67.10 O ATOM 1098 CB PRO A 42 23.030 -0.697 109.066 1.00 68.52 C ATOM 1099 CG PRO A 42 23.881 -1.411 110.025 1.00 69.72 C ATOM 1100 CD PRO A 42 25.213 -1.619 109.384 1.00 69.46 C ATOM 1101 N LYS A 43 23.092 2.340 108.006 1.00 67.79 N ATOM 1102 CA LYS A 43 22.876 3.791 108.050 1.00 68.23 C ATOM 1103 C LYS A 43 22.508 4.334 109.439 1.00 66.36 C ATOM 1104 O LYS A 43 21.352 4.153 109.908 1.00 66.87 O ATOM 1105 CB LYS A 43 21.731 4.093 107.053 1.00 68.93 C ATOM 1106 CG LYS A 43 21.138 2.805 106.343 1.00 69.72 C ATOM 1107 CD LYS A 43 20.035 3.173 105.309 1.00 70.86 C ATOM 1108 CE LYS A 43 20.586 3.672 103.926 1.00 74.56 C ATOM 1109 NZ LYS A 43 21.060 2.625 102.926 1.00 69.28 N ATOM 1110 N THR A 44 23.474 5.004 110.062 1.00 63.26 N ATOM 1111 CA THR A 44 23.479 5.302 111.498 1.00 60.97 C ATOM 1112 C THR A 44 22.529 6.538 111.998 1.00 59.61 C ATOM 1113 O THR A 44 22.770 7.759 111.638 1.00 57.75 O ATOM 1114 CB THR A 44 24.981 5.458 111.875 1.00 63.05 C ATOM 1115 OG1 THR A 44 25.129 5.656 113.291 1.00 68.27 O ATOM 1116 CG2 THR A 44 25.705 6.641 111.031 1.00 62.60 C ATOM 1117 N LYS A 45 21.470 6.238 112.771 1.00 55.93 N ATOM 1118 CA LYS A 45 20.507 7.314 113.082 1.00 55.74 C ATOM 1119 C LYS A 45 20.791 8.421 114.088 1.00 51.63 C ATOM 1120 O LYS A 45 21.494 8.274 115.107 1.00 50.84 O ATOM 1121 CB LYS A 45 19.085 6.886 113.254 1.00 56.27 C ATOM 1122 CG LYS A 45 18.526 6.509 111.889 1.00 62.72 C ATOM 1123 CD LYS A 45 18.986 5.090 111.456 1.00 65.61 C ATOM 1124 CE LYS A 45 18.017 4.482 110.423 1.00 70.04 C ATOM 1125 NZ LYS A 45 16.594 4.389 110.973 1.00 70.16 N ATOM 1126 N ARG A 46 20.234 9.553 113.684 1.00 45.99 N ATOM 1127 CA ARG A 46 20.458 10.817 114.273 1.00 40.89 C ATOM 1128 C ARG A 46 19.050 11.268 114.647 1.00 35.68 C ATOM 1129 O ARG A 46 18.043 10.727 114.163 1.00 33.54 O ATOM 1130 CB ARG A 46 21.025 11.752 113.204 1.00 40.55 C ATOM 1131 CG ARG A 46 22.132 11.205 112.381 1.00 44.26 C ATOM 1132 CD ARG A 46 23.471 11.872 112.852 1.00 53.21 C ATOM 1133 NE ARG A 46 24.478 12.307 111.860 1.00 59.50 N ATOM 1134 CZ ARG A 46 25.461 13.165 112.205 1.00 67.17 C ATOM 1135 NH1 ARG A 46 25.548 13.598 113.494 1.00 66.61 N ATOM 1136 NH2 ARG A 46 26.375 13.597 111.309 1.00 65.82 N ATOM 1137 N SER A 47 18.922 12.301 115.434 1.00 30.27 N ATOM 1138 CA SER A 47 17.551 12.599 115.680 1.00 25.79 C ATOM 1139 C SER A 47 17.217 13.545 114.565 1.00 24.30 C ATOM 1140 O SER A 47 18.035 14.150 113.859 1.00 21.74 O ATOM 1141 CB SER A 47 17.524 13.226 116.993 1.00 26.30 C ATOM 1142 OG SER A 47 18.641 14.114 116.897 1.00 24.47 O ATOM 1143 N PRO A 48 15.977 13.660 114.325 1.00 23.93 N ATOM 1144 CA PRO A 48 15.542 14.460 113.130 1.00 23.43 C ATOM 1145 C PRO A 48 15.991 15.905 113.246 1.00 21.48 C ATOM 1146 O PRO A 48 15.775 16.478 114.240 1.00 21.16 O ATOM 1147 CB PRO A 48 14.045 14.433 113.181 1.00 21.57 C ATOM 1148 CG PRO A 48 13.674 13.588 114.375 1.00 23.67 C ATOM 1149 CD PRO A 48 14.919 13.026 115.080 1.00 24.46 C ATOM 1150 N LEU A 49 16.595 16.463 112.229 1.00 19.99 N ATOM 1151 CA LEU A 49 16.771 17.812 112.289 1.00 19.83 C ATOM 1152 C LEU A 49 15.477 18.495 111.780 1.00 23.11 C ATOM 1153 O LEU A 49 15.386 18.849 110.580 1.00 25.86 O ATOM 1154 CB LEU A 49 18.044 18.145 111.483 1.00 17.94 C ATOM 1155 CG LEU A 49 18.623 19.554 111.696 1.00 16.36 C ATOM 1156 CD1 LEU A 49 19.150 19.716 113.046 1.00 20.83 C ATOM 1157 CD2 LEU A 49 19.768 19.749 110.748 1.00 17.90 C ATOM 1158 N THR A 50 14.446 18.713 112.584 1.00 21.30 N ATOM 1159 CA THR A 50 13.444 19.561 112.029 1.00 21.26 C ATOM 1160 C THR A 50 13.219 20.765 112.956 1.00 22.35 C ATOM 1161 O THR A 50 13.558 20.703 114.111 1.00 25.24 O ATOM 1162 CB THR A 50 12.176 18.794 112.002 1.00 21.25 C ATOM 1163 OG1 THR A 50 11.958 18.244 113.307 1.00 23.06 O ATOM 1164 CG2 THR A 50 12.246 17.624 111.074 1.00 21.71 C ATOM 1165 N ARG A 51 12.457 21.774 112.598 1.00 20.65 N ATOM 1166 CA ARG A 51 12.302 22.871 113.510 1.00 18.64 C ATOM 1167 C ARG A 51 11.556 22.403 114.688 1.00 20.40 C ATOM 1168 O ARG A 51 11.769 22.910 115.811 1.00 22.61 O ATOM 1169 CB ARG A 51 11.508 24.030 112.851 1.00 18.39 C ATOM 1170 CG ARG A 51 11.070 25.198 113.804 1.00 13.77 C ATOM 1171 CD ARG A 51 12.295 25.885 114.504 1.00 9.82 C ATOM 1172 NE ARG A 51 13.125 26.520 113.492 1.00 11.92 N ATOM 1173 CZ ARG A 51 14.341 27.035 113.753 1.00 24.04 C ATOM 1174 NH1 ARG A 51 14.776 27.031 115.037 1.00 19.23 N ATOM 1175 NH2 ARG A 51 15.177 27.500 112.736 1.00 18.93 N ATOM 1176 N ALA A 52 10.652 21.434 114.485 1.00 20.68 N ATOM 1177 CA ALA A 52 9.636 21.082 115.543 1.00 18.96 C ATOM 1178 C ALA A 52 10.361 20.301 116.579 1.00 20.18 C ATOM 1179 O ALA A 52 10.064 20.340 117.772 1.00 20.76 O ATOM 1180 CB ALA A 52 8.568 20.233 114.957 1.00 17.98 C ATOM 1181 N HIS A 53 11.382 19.585 116.136 1.00 19.89 N ATOM 1182 CA HIS A 53 12.048 18.816 117.081 1.00 20.04 C ATOM 1183 C HIS A 53 13.083 19.593 117.780 1.00 21.54 C ATOM 1184 O HIS A 53 13.196 19.318 118.948 1.00 20.45 O ATOM 1185 CB HIS A 53 12.661 17.628 116.494 1.00 17.30 C ATOM 1186 CG HIS A 53 13.567 16.895 117.434 1.00 22.56 C ATOM 1187 ND1 HIS A 53 13.097 16.005 118.391 1.00 20.07 N ATOM 1188 CD2 HIS A 53 14.924 16.846 117.517 1.00 26.03 C ATOM 1189 CE1 HIS A 53 14.119 15.444 119.020 1.00 20.55 C ATOM 1190 NE2 HIS A 53 15.242 15.924 118.499 1.00 28.18 N ATOM 1191 N LEU A 54 13.881 20.469 117.090 1.00 21.54 N ATOM 1192 CA LEU A 54 14.675 21.453 117.829 1.00 22.44 C ATOM 1193 C LEU A 54 13.859 22.103 118.923 1.00 23.38 C ATOM 1194 O LEU A 54 14.327 22.289 120.006 1.00 25.42 O ATOM 1195 CB LEU A 54 15.010 22.679 117.017 1.00 21.33 C ATOM 1196 CG LEU A 54 16.430 23.227 117.247 1.00 23.49 C ATOM 1197 CD1 LEU A 54 16.598 24.442 116.692 1.00 19.93 C ATOM 1198 CD2 LEU A 54 17.096 23.272 118.660 1.00 19.68 C ATOM 1199 N THR A 55 12.624 22.492 118.623 1.00 23.31 N ATOM 1200 CA THR A 55 11.840 23.270 119.561 1.00 23.58 C ATOM 1201 C THR A 55 11.365 22.380 120.689 1.00 23.94 C ATOM 1202 O THR A 55 11.277 22.852 121.772 1.00 23.99 O ATOM 1203 CB THR A 55 10.583 23.744 118.785 1.00 24.31 C ATOM 1204 OG1 THR A 55 11.043 24.547 117.708 1.00 32.23 O ATOM 1205 CG2 THR A 55 9.573 24.566 119.583 1.00 15.82 C ATOM 1206 N GLU A 56 10.983 21.132 120.452 1.00 25.87 N ATOM 1207 CA GLU A 56 10.564 20.264 121.551 1.00 26.79 C ATOM 1208 C GLU A 56 11.775 20.162 122.458 1.00 27.74 C ATOM 1209 O GLU A 56 11.642 20.390 123.681 1.00 29.80 O ATOM 1210 CB GLU A 56 10.218 18.834 121.103 1.00 30.21 C ATOM 1211 CG GLU A 56 9.471 17.899 122.160 1.00 32.44 C ATOM 1212 CD GLU A 56 8.238 18.624 122.886 1.00 49.40 C ATOM 1213 OE1 GLU A 56 8.150 18.729 124.204 1.00 51.98 O ATOM 1214 OE2 GLU A 56 7.345 19.103 122.102 1.00 50.41 O ATOM 1215 N VAL A 57 12.965 19.934 121.920 1.00 23.93 N ATOM 1216 CA VAL A 57 14.048 19.739 122.791 1.00 23.54 C ATOM 1217 C VAL A 57 14.348 21.087 123.472 1.00 25.43 C ATOM 1218 O VAL A 57 14.465 21.142 124.689 1.00 24.56 O ATOM 1219 CB VAL A 57 15.234 19.310 122.037 1.00 24.17 C ATOM 1220 CG1 VAL A 57 16.420 19.454 122.794 1.00 24.29 C ATOM 1221 CG2 VAL A 57 15.123 17.906 121.620 1.00 17.93 C ATOM 1222 N GLU A 58 14.378 22.198 122.758 1.00 25.04 N ATOM 1223 CA GLU A 58 14.540 23.429 123.524 1.00 26.38 C ATOM 1224 C GLU A 58 13.429 23.654 124.609 1.00 26.58 C ATOM 1225 O GLU A 58 13.701 24.195 125.686 1.00 26.50 O ATOM 1226 CB GLU A 58 14.687 24.642 122.633 1.00 25.05 C ATOM 1227 CG GLU A 58 15.747 24.570 121.550 1.00 24.94 C ATOM 1228 CD GLU A 58 15.640 25.703 120.407 1.00 32.36 C ATOM 1229 OE1 GLU A 58 16.623 25.929 119.713 1.00 42.73 O ATOM 1230 OE2 GLU A 58 14.620 26.412 120.132 1.00 39.61 O ATOM 1231 N SER A 59 12.195 23.156 124.453 1.00 26.16 N ATOM 1232 CA SER A 59 11.360 23.409 125.555 1.00 26.10 C ATOM 1233 C SER A 59 11.704 22.512 126.699 1.00 27.14 C ATOM 1234 O SER A 59 11.451 22.932 127.833 1.00 29.98 O ATOM 1235 CB SER A 59 9.958 23.217 125.201 1.00 26.44 C ATOM 1236 OG SER A 59 9.716 24.080 124.143 1.00 32.61 O ATOM 1237 N ARG A 60 12.269 21.323 126.494 1.00 23.66 N ATOM 1238 CA ARG A 60 12.530 20.583 127.650 1.00 24.00 C ATOM 1239 C ARG A 60 13.707 21.235 128.380 1.00 24.84 C ATOM 1240 O ARG A 60 13.654 21.466 129.580 1.00 24.86 O ATOM 1241 CB ARG A 60 12.880 19.162 127.324 1.00 25.23 C ATOM 1242 CG ARG A 60 11.705 18.362 126.839 1.00 25.78 C ATOM 1243 CD ARG A 60 12.156 17.092 126.056 1.00 34.18 C ATOM 1244 NE ARG A 60 10.910 16.517 125.732 1.00 43.41 N ATOM 1245 CZ ARG A 60 10.329 15.630 126.504 1.00 49.29 C ATOM 1246 NH1 ARG A 60 10.994 15.070 127.525 1.00 51.36 N ATOM 1247 NH2 ARG A 60 9.109 15.265 126.194 1.00 53.70 N ATOM 1248 N LEU A 61 14.732 21.603 127.646 1.00 23.30 N ATOM 1249 CA LEU A 61 15.901 22.078 128.225 1.00 23.40 C ATOM 1250 C LEU A 61 15.559 23.296 129.043 1.00 25.85 C ATOM 1251 O LEU A 61 16.073 23.398 130.158 1.00 26.91 O ATOM 1252 CB LEU A 61 16.836 22.588 127.137 1.00 24.10 C ATOM 1253 CG LEU A 61 18.116 23.248 127.687 1.00 21.59 C ATOM 1254 CD1 LEU A 61 18.868 22.355 128.734 1.00 20.50 C ATOM 1255 CD2 LEU A 61 19.121 23.590 126.608 1.00 20.03 C ATOM 1256 N GLU A 62 14.699 24.214 128.545 1.00 24.62 N ATOM 1257 CA GLU A 62 14.334 25.373 129.327 1.00 23.45 C ATOM 1258 C GLU A 62 13.705 24.980 130.632 1.00 22.09 C ATOM 1259 O GLU A 62 13.878 25.627 131.668 1.00 21.96 O ATOM 1260 CB GLU A 62 13.277 26.215 128.623 1.00 25.69 C ATOM 1261 CG GLU A 62 13.876 27.452 128.006 1.00 37.93 C ATOM 1262 CD GLU A 62 14.345 28.575 129.096 1.00 51.74 C ATOM 1263 OE1 GLU A 62 15.211 29.455 128.756 1.00 60.29 O ATOM 1264 OE2 GLU A 62 13.872 28.628 130.274 1.00 50.62 O ATOM 1265 N ARG A 63 12.896 23.964 130.640 1.00 20.59 N ATOM 1266 CA ARG A 63 12.234 23.740 131.876 1.00 19.92 C ATOM 1267 C ARG A 63 13.246 23.215 132.852 1.00 19.43 C ATOM 1268 O ARG A 63 13.307 23.740 134.004 1.00 17.68 O ATOM 1269 CB ARG A 63 11.205 22.710 131.647 1.00 20.98 C ATOM 1270 CG ARG A 63 10.163 23.199 130.657 1.00 22.59 C ATOM 1271 CD ARG A 63 9.248 21.959 130.342 1.00 22.67 C ATOM 1272 NE ARG A 63 8.169 22.409 129.508 1.00 24.27 N ATOM 1273 CZ ARG A 63 8.007 21.962 128.274 1.00 24.84 C ATOM 1274 NH1 ARG A 63 8.899 21.043 127.848 1.00 26.40 N ATOM 1275 NH2 ARG A 63 7.073 22.514 127.453 1.00 20.04 N ATOM 1276 N LEU A 64 14.101 22.278 132.431 1.00 18.46 N ATOM 1277 CA LEU A 64 15.125 21.837 133.403 1.00 21.92 C ATOM 1278 C LEU A 64 16.010 23.001 133.696 1.00 21.81 C ATOM 1279 O LEU A 64 16.448 23.103 134.820 1.00 24.68 O ATOM 1280 CB LEU A 64 16.066 20.769 132.941 1.00 22.31 C ATOM 1281 CG LEU A 64 15.437 19.408 133.099 1.00 29.26 C ATOM 1282 CD1 LEU A 64 16.458 18.429 132.574 1.00 27.73 C ATOM 1283 CD2 LEU A 64 15.212 19.175 134.571 1.00 22.54 C ATOM 1284 N GLU A 65 16.309 23.879 132.756 1.00 18.36 N ATOM 1285 CA GLU A 65 17.219 24.895 133.112 1.00 20.65 C ATOM 1286 C GLU A 65 16.680 25.758 134.306 1.00 21.53 C ATOM 1287 O GLU A 65 17.466 26.248 135.193 1.00 21.32 O ATOM 1288 CB GLU A 65 17.494 25.830 131.935 1.00 21.94 C ATOM 1289 CG GLU A 65 18.765 26.668 132.193 1.00 27.58 C ATOM 1290 CD GLU A 65 20.021 25.791 131.907 1.00 36.11 C ATOM 1291 OE1 GLU A 65 20.087 25.251 130.768 1.00 42.30 O ATOM 1292 OE2 GLU A 65 20.903 25.626 132.772 1.00 33.35 O ATOM 1293 N GLN A 66 15.366 25.958 134.270 1.00 20.67 N ATOM 1294 CA GLN A 66 14.637 26.752 135.264 1.00 21.18 C ATOM 1295 C GLN A 66 14.627 26.025 136.609 1.00 19.77 C ATOM 1296 O GLN A 66 14.875 26.671 137.651 1.00 20.30 O ATOM 1297 CB GLN A 66 13.174 26.965 134.876 1.00 19.95 C ATOM 1298 CG GLN A 66 13.029 27.809 133.710 1.00 17.86 C ATOM 1299 CD GLN A 66 13.210 29.327 134.011 1.00 14.58 C ATOM 1300 OE1 GLN A 66 13.739 30.012 133.193 1.00 21.90 O ATOM 1301 NE2 GLN A 66 12.629 29.843 135.056 1.00 17.59 N ATOM 1302 N LEU A 67 14.335 24.726 136.571 1.00 18.75 N ATOM 1303 CA LEU A 67 14.345 23.902 137.776 1.00 18.17 C ATOM 1304 C LEU A 67 15.717 23.948 138.381 1.00 17.84 C ATOM 1305 O LEU A 67 15.838 24.196 139.574 1.00 16.66 O ATOM 1306 CB LEU A 67 13.976 22.516 137.430 1.00 18.25 C ATOM 1307 CG LEU A 67 13.392 21.568 138.473 1.00 22.60 C ATOM 1308 CD1 LEU A 67 14.516 20.917 139.161 1.00 22.78 C ATOM 1309 CD2 LEU A 67 12.331 22.239 139.559 1.00 18.25 C ATOM 1310 N PHE A 68 16.781 23.899 137.585 1.00 19.16 N ATOM 1311 CA PHE A 68 18.083 24.044 138.210 1.00 20.08 C ATOM 1312 C PHE A 68 18.432 25.418 138.610 1.00 23.85 C ATOM 1313 O PHE A 68 19.364 25.547 139.397 1.00 29.51 O ATOM 1314 CB PHE A 68 19.173 23.440 137.390 1.00 19.51 C ATOM 1315 CG PHE A 68 19.174 21.934 137.438 1.00 24.84 C ATOM 1316 CD1 PHE A 68 19.956 21.242 138.350 1.00 25.81 C ATOM 1317 CD2 PHE A 68 18.308 21.219 136.727 1.00 26.49 C ATOM 1318 CE1 PHE A 68 19.892 19.873 138.450 1.00 28.52 C ATOM 1319 CE2 PHE A 68 18.273 19.787 136.823 1.00 26.81 C ATOM 1320 CZ PHE A 68 19.054 19.145 137.631 1.00 25.03 C ATOM 1321 N LEU A 69 17.776 26.512 138.162 1.00 22.81 N ATOM 1322 CA LEU A 69 18.167 27.766 138.756 1.00 21.22 C ATOM 1323 C LEU A 69 17.782 27.744 140.191 1.00 22.20 C ATOM 1324 O LEU A 69 18.434 28.315 140.964 1.00 23.31 O ATOM 1325 CB LEU A 69 17.369 28.868 138.151 1.00 22.77 C ATOM 1326 CG LEU A 69 17.752 30.327 138.048 1.00 21.74 C ATOM 1327 CD1 LEU A 69 16.490 30.995 138.262 1.00 20.83 C ATOM 1328 CD2 LEU A 69 18.701 30.862 139.025 1.00 24.51 C ATOM 1329 N LEU A 70 16.676 27.129 140.555 1.00 22.63 N ATOM 1330 CA LEU A 70 16.325 27.047 141.948 1.00 23.50 C ATOM 1331 C LEU A 70 17.160 26.023 142.710 1.00 25.05 C ATOM 1332 O LEU A 70 17.337 26.173 143.871 1.00 22.71 O ATOM 1333 CB LEU A 70 14.853 26.710 142.120 1.00 22.40 C ATOM 1334 CG LEU A 70 13.952 27.456 141.124 1.00 20.67 C ATOM 1335 CD1 LEU A 70 12.503 26.910 141.100 1.00 15.53 C ATOM 1336 CD2 LEU A 70 13.946 28.830 141.606 1.00 8.86 C ATOM 1337 N ILE A 71 17.633 24.946 142.094 1.00 28.21 N ATOM 1338 CA ILE A 71 18.386 23.980 142.956 1.00 30.75 C ATOM 1339 C ILE A 71 19.718 24.645 143.193 1.00 32.43 C ATOM 1340 O ILE A 71 20.168 24.716 144.317 1.00 30.92 O ATOM 1341 CB ILE A 71 18.748 22.626 142.317 1.00 30.88 C ATOM 1342 CG1 ILE A 71 17.522 21.759 142.051 1.00 31.12 C ATOM 1343 CG2 ILE A 71 19.766 21.918 143.168 1.00 29.38 C ATOM 1344 CD1 ILE A 71 16.375 22.411 142.656 1.00 36.67 C ATOM 1345 N PHE A 72 20.360 25.111 142.121 1.00 34.17 N ATOM 1346 CA PHE A 72 21.601 25.741 142.327 1.00 37.48 C ATOM 1347 C PHE A 72 21.520 27.245 142.078 1.00 40.30 C ATOM 1348 O PHE A 72 21.865 27.701 141.014 1.00 39.36 O ATOM 1349 CB PHE A 72 22.570 25.103 141.430 1.00 37.31 C ATOM 1350 CG PHE A 72 22.680 23.625 141.611 1.00 39.32 C ATOM 1351 CD1 PHE A 72 22.188 22.753 140.644 1.00 41.97 C ATOM 1352 CD2 PHE A 72 23.308 23.081 142.732 1.00 42.28 C ATOM 1353 CE1 PHE A 72 22.300 21.331 140.753 1.00 40.95 C ATOM 1354 CE2 PHE A 72 23.407 21.684 142.859 1.00 43.76 C ATOM 1355 CZ PHE A 72 22.915 20.808 141.842 1.00 40.30 C ATOM 1356 N PRO A 73 21.035 28.022 143.057 1.00 43.06 N ATOM 1357 CA PRO A 73 21.051 29.461 142.765 1.00 47.16 C ATOM 1358 C PRO A 73 22.501 30.010 142.585 1.00 49.70 C ATOM 1359 O PRO A 73 22.704 31.001 141.840 1.00 49.22 O ATOM 1360 CB PRO A 73 20.328 30.114 143.994 1.00 46.47 C ATOM 1361 CG PRO A 73 19.727 29.019 144.747 1.00 45.88 C ATOM 1362 CD PRO A 73 20.458 27.731 144.370 1.00 43.30 C ATOM 1363 N ARG A 74 23.452 29.334 143.262 1.00 52.56 N ATOM 1364 CA ARG A 74 24.885 29.656 143.262 1.00 55.58 C ATOM 1365 C ARG A 74 25.711 28.652 142.443 1.00 57.65 C ATOM 1366 O ARG A 74 25.991 27.481 142.873 1.00 58.92 O ATOM 1367 CB ARG A 74 25.431 29.809 144.709 1.00 56.16 C ATOM 1368 CG ARG A 74 24.707 30.866 145.546 1.00 56.74 C ATOM 1369 CD ARG A 74 24.602 32.149 144.752 1.00 59.76 C ATOM 1370 NE ARG A 74 24.026 33.285 145.489 1.00 67.96 N ATOM 1371 CZ ARG A 74 24.698 34.136 146.304 1.00 69.80 C ATOM 1372 NH1 ARG A 74 25.998 33.960 146.560 1.00 69.90 N ATOM 1373 NH2 ARG A 74 24.068 35.176 146.888 1.00 69.92 N ATOM 1374 N GLU A 75 25.916 29.097 141.200 1.00 59.17 N ATOM 1375 CA GLU A 75 27.078 28.876 140.332 1.00 59.94 C ATOM 1376 C GLU A 75 27.764 27.540 140.211 1.00 58.50 C ATOM 1377 O GLU A 75 27.559 26.583 140.956 1.00 58.45 O ATOM 1378 CB GLU A 75 28.132 30.069 140.507 1.00 60.69 C ATOM 1379 CG GLU A 75 29.472 30.074 139.588 1.00 60.73 C ATOM 1380 CD GLU A 75 30.689 30.931 140.160 1.00 63.39 C ATOM 1381 OE1 GLU A 75 30.800 31.117 141.402 1.00 67.38 O ATOM 1382 OE2 GLU A 75 31.550 31.424 139.359 1.00 66.54 O ATOM 1383 N ASP A 76 28.727 27.655 139.316 1.00 58.15 N ATOM 1384 CA ASP A 76 29.141 26.755 138.283 1.00 57.88 C ATOM 1385 C ASP A 76 28.484 25.396 138.197 1.00 56.74 C ATOM 1386 O ASP A 76 29.126 24.348 138.231 1.00 56.99 O ATOM 1387 CB ASP A 76 30.677 26.778 138.114 1.00 59.46 C ATOM 1388 CG ASP A 76 31.113 26.655 136.617 1.00 63.89 C ATOM 1389 OD1 ASP A 76 30.640 27.432 135.733 1.00 65.26 O ATOM 1390 OD2 ASP A 76 31.932 25.746 136.311 1.00 69.44 O ATOM 1391 N LEU A 77 27.173 25.438 138.055 1.00 55.07 N ATOM 1392 CA LEU A 77 26.397 24.319 137.621 1.00 54.69 C ATOM 1393 C LEU A 77 27.156 23.629 136.471 1.00 55.33 C ATOM 1394 O LEU A 77 27.123 22.389 136.310 1.00 54.71 O ATOM 1395 CB LEU A 77 25.049 24.816 137.145 1.00 52.96 C ATOM 1396 CG LEU A 77 23.898 23.823 137.128 1.00 52.16 C ATOM 1397 CD1 LEU A 77 22.842 24.298 136.169 1.00 48.59 C ATOM 1398 CD2 LEU A 77 24.372 22.592 136.661 1.00 45.79 C ATOM 1399 N ASP A 78 27.878 24.447 135.713 1.00 54.87 N ATOM 1400 CA ASP A 78 28.683 23.940 134.631 1.00 55.85 C ATOM 1401 C ASP A 78 29.879 23.133 135.156 1.00 54.22 C ATOM 1402 O ASP A 78 30.477 22.337 134.439 1.00 52.60 O ATOM 1403 CB ASP A 78 29.136 25.121 133.745 1.00 57.52 C ATOM 1404 CG ASP A 78 28.171 25.408 132.518 1.00 64.53 C ATOM 1405 OD1 ASP A 78 26.920 25.711 132.704 1.00 69.26 O ATOM 1406 OD2 ASP A 78 28.712 25.414 131.356 1.00 70.22 O ATOM 1407 N MET A 79 30.251 23.357 136.399 1.00 54.03 N ATOM 1408 CA MET A 79 31.402 22.654 136.933 1.00 56.45 C ATOM 1409 C MET A 79 30.853 21.270 137.077 1.00 53.21 C ATOM 1410 O MET A 79 31.389 20.315 136.475 1.00 53.54 O ATOM 1411 CB MET A 79 31.873 23.260 138.282 1.00 56.35 C ATOM 1412 CG MET A 79 31.741 22.335 139.572 1.00 61.56 C ATOM 1413 SD MET A 79 31.379 23.067 141.292 1.00 65.49 S ATOM 1414 CE MET A 79 32.120 24.777 141.342 1.00 68.42 C ATOM 1415 N ILE A 80 29.719 21.195 137.796 1.00 50.50 N ATOM 1416 CA ILE A 80 29.017 19.945 138.032 1.00 47.10 C ATOM 1417 C ILE A 80 28.674 19.252 136.755 1.00 46.16 C ATOM 1418 O ILE A 80 28.797 18.056 136.692 1.00 46.11 O ATOM 1419 CB ILE A 80 27.703 20.129 138.718 1.00 47.11 C ATOM 1420 CG1 ILE A 80 27.740 21.312 139.634 1.00 47.20 C ATOM 1421 CG2 ILE A 80 27.262 18.858 139.358 1.00 40.80 C ATOM 1422 CD1 ILE A 80 26.790 21.130 140.816 1.00 50.99 C ATOM 1423 N LEU A 81 28.175 19.972 135.760 1.00 44.77 N ATOM 1424 CA LEU A 81 27.721 19.314 134.561 1.00 45.55 C ATOM 1425 C LEU A 81 28.825 18.589 133.817 1.00 46.12 C ATOM 1426 O LEU A 81 28.569 17.688 133.029 1.00 47.11 O ATOM 1427 CB LEU A 81 27.015 20.272 133.614 1.00 46.91 C ATOM 1428 CG LEU A 81 25.676 20.846 134.046 1.00 46.57 C ATOM 1429 CD1 LEU A 81 25.138 21.528 132.903 1.00 48.37 C ATOM 1430 CD2 LEU A 81 24.729 19.825 134.418 1.00 40.82 C ATOM 1431 N LYS A 82 30.061 18.941 134.110 1.00 46.84 N ATOM 1432 CA LYS A 82 31.205 18.302 133.444 1.00 47.73 C ATOM 1433 C LYS A 82 31.762 17.026 134.128 1.00 47.20 C ATOM 1434 O LYS A 82 32.505 16.226 133.565 1.00 47.85 O ATOM 1435 CB LYS A 82 32.284 19.339 133.192 1.00 47.54 C ATOM 1436 CG LYS A 82 32.032 20.015 131.792 1.00 50.95 C ATOM 1437 CD LYS A 82 33.091 21.038 131.444 1.00 56.51 C ATOM 1438 CE LYS A 82 32.606 22.445 131.758 1.00 60.55 C ATOM 1439 NZ LYS A 82 33.755 23.405 132.009 1.00 65.58 N ATOM 1440 N MET A 83 31.368 16.814 135.356 1.00 45.87 N ATOM 1441 CA MET A 83 31.849 15.676 136.041 1.00 44.47 C ATOM 1442 C MET A 83 31.137 14.438 135.524 1.00 41.39 C ATOM 1443 O MET A 83 30.042 14.527 134.927 1.00 38.57 O ATOM 1444 CB MET A 83 31.645 15.863 137.527 1.00 44.06 C ATOM 1445 CG MET A 83 32.543 16.903 138.092 1.00 41.36 C ATOM 1446 SD MET A 83 32.114 16.753 139.848 1.00 50.71 S ATOM 1447 CE MET A 83 30.751 17.881 139.812 1.00 39.35 C ATOM 1448 N ASP A 84 31.826 13.310 135.775 1.00 40.22 N ATOM 1449 CA ASP A 84 31.587 12.029 135.119 1.00 38.14 C ATOM 1450 C ASP A 84 31.467 11.039 136.228 1.00 36.22 C ATOM 1451 O ASP A 84 30.888 9.979 136.049 1.00 38.40 O ATOM 1452 CB ASP A 84 32.735 11.620 134.221 1.00 37.74 C ATOM 1453 CG ASP A 84 32.526 10.246 133.595 1.00 43.62 C ATOM 1454 OD1 ASP A 84 33.128 9.241 134.105 1.00 49.94 O ATOM 1455 OD2 ASP A 84 31.753 10.120 132.622 1.00 42.95 O ATOM 1456 N SER A 85 31.978 11.326 137.395 1.00 33.42 N ATOM 1457 CA SER A 85 31.812 10.343 138.403 1.00 30.55 C ATOM 1458 C SER A 85 30.509 10.451 139.249 1.00 30.89 C ATOM 1459 O SER A 85 30.200 11.478 139.799 1.00 32.25 O ATOM 1460 CB SER A 85 32.954 10.381 139.313 1.00 28.87 C ATOM 1461 OG SER A 85 32.401 9.797 140.499 1.00 30.44 O ATOM 1462 N LEU A 86 29.776 9.374 139.370 1.00 30.16 N ATOM 1463 CA LEU A 86 28.587 9.314 140.135 1.00 31.07 C ATOM 1464 C LEU A 86 28.834 9.449 141.643 1.00 33.03 C ATOM 1465 O LEU A 86 28.269 10.340 142.241 1.00 34.91 O ATOM 1466 CB LEU A 86 27.934 7.967 139.877 1.00 29.91 C ATOM 1467 CG LEU A 86 26.725 7.847 138.986 1.00 28.88 C ATOM 1468 CD1 LEU A 86 26.661 8.916 137.928 1.00 30.92 C ATOM 1469 CD2 LEU A 86 26.786 6.567 138.360 1.00 25.21 C ATOM 1470 N GLN A 87 29.608 8.577 142.294 1.00 35.02 N ATOM 1471 CA GLN A 87 29.968 8.868 143.684 1.00 37.28 C ATOM 1472 C GLN A 87 30.293 10.381 143.735 1.00 38.37 C ATOM 1473 O GLN A 87 29.681 11.114 144.493 1.00 38.87 O ATOM 1474 CB GLN A 87 31.197 8.121 144.252 1.00 37.62 C ATOM 1475 CG GLN A 87 31.527 6.622 143.938 1.00 43.52 C ATOM 1476 CD GLN A 87 30.589 5.584 144.592 1.00 49.53 C ATOM 1477 OE1 GLN A 87 30.989 4.407 144.865 1.00 49.41 O ATOM 1478 NE2 GLN A 87 29.316 6.006 144.823 1.00 50.13 N ATOM 1479 N ASP A 88 31.234 10.860 142.915 1.00 39.08 N ATOM 1480 CA ASP A 88 31.783 12.194 143.163 1.00 39.51 C ATOM 1481 C ASP A 88 30.674 13.202 143.143 1.00 39.56 C ATOM 1482 O ASP A 88 30.565 14.033 144.060 1.00 40.32 O ATOM 1483 CB ASP A 88 32.724 12.608 142.075 1.00 39.49 C ATOM 1484 CG ASP A 88 34.147 12.239 142.347 1.00 43.33 C ATOM 1485 OD1 ASP A 88 34.494 11.485 143.357 1.00 43.28 O ATOM 1486 OD2 ASP A 88 34.915 12.714 141.464 1.00 43.69 O ATOM 1487 N ILE A 89 29.854 13.143 142.087 1.00 38.19 N ATOM 1488 CA ILE A 89 28.817 14.087 141.972 1.00 36.53 C ATOM 1489 C ILE A 89 27.897 13.993 143.190 1.00 39.61 C ATOM 1490 O ILE A 89 27.320 14.991 143.621 1.00 40.23 O ATOM 1491 CB ILE A 89 28.017 13.879 140.755 1.00 34.39 C ATOM 1492 CG1 ILE A 89 28.816 14.226 139.508 1.00 29.29 C ATOM 1493 CG2 ILE A 89 26.713 14.676 140.871 1.00 28.86 C ATOM 1494 CD1 ILE A 89 28.022 13.816 138.211 1.00 21.58 C ATOM 1495 N LYS A 90 27.765 12.812 143.767 1.00 41.33 N ATOM 1496 CA LYS A 90 26.791 12.687 144.814 1.00 44.76 C ATOM 1497 C LYS A 90 27.454 13.133 146.116 1.00 44.67 C ATOM 1498 O LYS A 90 26.780 13.413 147.099 1.00 44.99 O ATOM 1499 CB LYS A 90 26.284 11.246 144.876 1.00 44.29 C ATOM 1500 CG LYS A 90 24.896 11.033 145.504 1.00 49.33 C ATOM 1501 CD LYS A 90 24.630 9.461 145.777 1.00 48.85 C ATOM 1502 CE LYS A 90 24.434 8.615 144.394 1.00 51.88 C ATOM 1503 NZ LYS A 90 24.110 7.097 144.423 1.00 54.02 N ATOM 1504 N ALA A 91 28.783 13.192 146.141 1.00 45.85 N ATOM 1505 CA ALA A 91 29.485 13.509 147.399 1.00 46.84 C ATOM 1506 C ALA A 91 29.273 15.002 147.501 1.00 47.74 C ATOM 1507 O ALA A 91 28.911 15.548 148.545 1.00 48.23 O ATOM 1508 CB ALA A 91 30.972 13.160 147.316 1.00 45.95 C ATOM 1509 N LEU A 92 29.405 15.611 146.338 1.00 47.94 N ATOM 1510 CA LEU A 92 29.304 17.008 146.149 1.00 48.67 C ATOM 1511 C LEU A 92 27.959 17.466 146.570 1.00 49.63 C ATOM 1512 O LEU A 92 27.823 18.351 147.388 1.00 51.27 O ATOM 1513 CB LEU A 92 29.479 17.259 144.659 1.00 48.99 C ATOM 1514 CG LEU A 92 29.911 18.567 144.036 1.00 46.79 C ATOM 1515 CD1 LEU A 92 28.681 19.425 144.075 1.00 46.11 C ATOM 1516 CD2 LEU A 92 31.076 19.123 144.808 1.00 45.81 C ATOM 1517 N LEU A 93 26.937 16.869 146.016 1.00 50.46 N ATOM 1518 CA LEU A 93 25.640 17.417 146.220 1.00 51.36 C ATOM 1519 C LEU A 93 25.266 17.320 147.671 1.00 52.83 C ATOM 1520 O LEU A 93 24.514 18.133 148.179 1.00 52.64 O ATOM 1521 CB LEU A 93 24.664 16.638 145.409 1.00 50.74 C ATOM 1522 CG LEU A 93 24.961 16.874 143.945 1.00 49.26 C ATOM 1523 CD1 LEU A 93 24.178 15.838 143.235 1.00 47.15 C ATOM 1524 CD2 LEU A 93 24.525 18.265 143.553 1.00 50.69 C ATOM 1525 N THR A 94 25.805 16.345 148.371 1.00 54.26 N ATOM 1526 CA THR A 94 25.379 16.228 149.748 1.00 56.93 C ATOM 1527 C THR A 94 25.862 17.394 150.593 1.00 58.15 C ATOM 1528 O THR A 94 25.461 17.511 151.745 1.00 57.94 O ATOM 1529 CB THR A 94 25.653 14.850 150.376 1.00 56.75 C ATOM 1530 OG1 THR A 94 27.018 14.487 150.153 1.00 57.99 O ATOM 1531 CG2 THR A 94 24.744 13.836 149.728 1.00 56.88 C ATOM 1532 N GLY A 95 26.685 18.264 149.982 1.00 59.95 N ATOM 1533 CA GLY A 95 26.766 19.716 150.329 1.00 61.13 C ATOM 1534 C GLY A 95 25.616 20.521 149.693 1.00 61.91 C ATOM 1535 O GLY A 95 25.819 21.447 148.868 1.00 60.73 O ATOM 1536 N LEU A 96 24.399 20.108 150.072 1.00 63.38 N ATOM 1537 CA LEU A 96 23.118 20.820 149.816 1.00 64.70 C ATOM 1538 C LEU A 96 22.744 21.703 151.041 1.00 64.95 C ATOM 1539 O LEU A 96 21.557 21.934 151.351 1.00 65.46 O ATOM 1540 CB LEU A 96 21.982 19.813 149.487 1.00 64.18 C ATOM 1541 CG LEU A 96 21.914 19.433 147.985 1.00 66.13 C ATOM 1542 CD1 LEU A 96 21.415 17.999 147.765 1.00 63.44 C ATOM 1543 CD2 LEU A 96 21.164 20.483 147.046 1.00 65.45 C TER 1544 LEU A 96 ATOM 1545 N GLU B 8 10.908 40.228 97.930 1.00 63.64 N ATOM 1546 CA GLU B 8 10.257 39.022 98.475 1.00 63.86 C ATOM 1547 C GLU B 8 9.257 39.220 99.638 1.00 62.97 C ATOM 1548 O GLU B 8 8.187 38.588 99.639 1.00 62.44 O ATOM 1549 CB GLU B 8 11.336 38.037 98.903 1.00 65.28 C ATOM 1550 CG GLU B 8 11.847 37.224 97.741 1.00 67.92 C ATOM 1551 CD GLU B 8 11.021 35.973 97.545 1.00 70.46 C ATOM 1552 OE1 GLU B 8 11.650 34.867 97.711 1.00 69.10 O ATOM 1553 OE2 GLU B 8 9.776 36.138 97.258 1.00 67.93 O ATOM 1554 N GLN B 9 9.603 40.062 100.627 1.00 61.44 N ATOM 1555 CA GLN B 9 8.820 40.140 101.891 1.00 60.04 C ATOM 1556 C GLN B 9 7.460 40.763 101.692 1.00 57.87 C ATOM 1557 O GLN B 9 7.333 41.824 101.108 1.00 58.11 O ATOM 1558 CB GLN B 9 9.595 40.854 103.018 1.00 60.17 C ATOM 1559 CG GLN B 9 8.866 41.011 104.411 1.00 61.32 C ATOM 1560 CD GLN B 9 9.823 41.448 105.616 1.00 62.31 C ATOM 1561 OE1 GLN B 9 11.021 41.070 105.716 1.00 64.11 O ATOM 1562 NE2 GLN B 9 9.260 42.227 106.524 1.00 64.26 N ATOM 1563 N ALA B 10 6.443 40.068 102.168 1.00 55.19 N ATOM 1564 CA ALA B 10 5.103 40.561 102.119 1.00 52.61 C ATOM 1565 C ALA B 10 4.860 41.400 103.373 1.00 52.49 C ATOM 1566 O ALA B 10 5.527 41.203 104.451 1.00 52.22 O ATOM 1567 CB ALA B 10 4.114 39.411 102.003 1.00 50.99 C ATOM 1568 N CYS B 11 3.917 42.330 103.223 1.00 50.32 N ATOM 1569 CA CYS B 11 3.562 43.240 104.269 1.00 50.60 C ATOM 1570 C CYS B 11 2.833 42.473 105.343 1.00 52.47 C ATOM 1571 O CYS B 11 2.221 41.427 105.052 1.00 52.27 O ATOM 1572 CB CYS B 11 2.682 44.386 103.735 1.00 49.82 C ATOM 1573 SG CYS B 11 0.921 43.966 103.544 1.00 45.95 S ATOM 1574 N ASP B 12 2.866 42.999 106.578 1.00 54.19 N ATOM 1575 CA ASP B 12 2.298 42.299 107.741 1.00 56.57 C ATOM 1576 C ASP B 12 0.865 41.786 107.602 1.00 57.25 C ATOM 1577 O ASP B 12 0.538 40.648 107.990 1.00 57.97 O ATOM 1578 CB ASP B 12 2.471 43.158 108.952 1.00 56.68 C ATOM 1579 CG ASP B 12 3.907 43.214 109.376 1.00 62.21 C ATOM 1580 OD1 ASP B 12 4.826 42.836 108.556 1.00 66.75 O ATOM 1581 OD2 ASP B 12 4.114 43.597 110.545 1.00 65.87 O ATOM 1582 N ILE B 13 0.062 42.610 106.953 1.00 57.50 N ATOM 1583 CA ILE B 13 -1.343 42.401 106.824 1.00 57.87 C ATOM 1584 C ILE B 13 -1.600 41.343 105.715 1.00 57.86 C ATOM 1585 O ILE B 13 -2.292 40.330 105.945 1.00 58.00 O ATOM 1586 CB ILE B 13 -2.022 43.821 106.596 1.00 58.63 C ATOM 1587 CG1 ILE B 13 -1.806 44.762 107.842 1.00 59.18 C ATOM 1588 CG2 ILE B 13 -3.513 43.712 106.184 1.00 56.69 C ATOM 1589 CD1 ILE B 13 -0.304 45.277 108.127 1.00 55.01 C ATOM 1590 N CYS B 14 -1.042 41.556 104.525 1.00 57.16 N ATOM 1591 CA CYS B 14 -1.107 40.501 103.517 1.00 56.95 C ATOM 1592 C CYS B 14 -0.616 39.152 104.108 1.00 57.90 C ATOM 1593 O CYS B 14 -1.203 38.114 103.794 1.00 57.11 O ATOM 1594 CB CYS B 14 -0.339 40.834 102.203 1.00 57.05 C ATOM 1595 SG CYS B 14 -0.650 42.466 101.333 1.00 52.64 S ATOM 1596 N ARG B 15 0.431 39.162 104.961 1.00 58.57 N ATOM 1597 CA ARG B 15 0.928 37.898 105.522 1.00 59.72 C ATOM 1598 C ARG B 15 -0.215 37.356 106.335 1.00 59.20 C ATOM 1599 O ARG B 15 -0.558 36.184 106.218 1.00 58.93 O ATOM 1600 CB ARG B 15 2.210 37.986 106.413 1.00 60.20 C ATOM 1601 CG ARG B 15 3.467 38.633 105.769 1.00 62.57 C ATOM 1602 CD ARG B 15 4.541 39.141 106.792 1.00 60.59 C ATOM 1603 NE ARG B 15 5.679 38.232 106.858 1.00 59.60 N ATOM 1604 CZ ARG B 15 6.938 38.575 107.133 1.00 59.67 C ATOM 1605 NH1 ARG B 15 7.323 39.803 107.404 1.00 60.13 N ATOM 1606 NH2 ARG B 15 7.847 37.645 107.141 1.00 65.24 N ATOM 1607 N LEU B 16 -0.824 38.210 107.142 1.00 59.11 N ATOM 1608 CA LEU B 16 -1.750 37.701 108.109 1.00 59.90 C ATOM 1609 C LEU B 16 -2.958 37.224 107.359 1.00 59.64 C ATOM 1610 O LEU B 16 -3.604 36.269 107.751 1.00 58.82 O ATOM 1611 CB LEU B 16 -2.110 38.778 109.102 1.00 61.03 C ATOM 1612 CG LEU B 16 -2.526 38.369 110.510 1.00 63.54 C ATOM 1613 CD1 LEU B 16 -1.588 37.365 111.052 1.00 64.49 C ATOM 1614 CD2 LEU B 16 -2.522 39.636 111.387 1.00 66.75 C ATOM 1615 N LYS B 17 -3.240 37.855 106.234 1.00 59.91 N ATOM 1616 CA LYS B 17 -4.424 37.467 105.516 1.00 60.14 C ATOM 1617 C LYS B 17 -4.197 36.404 104.442 1.00 59.80 C ATOM 1618 O LYS B 17 -5.143 35.717 104.017 1.00 59.75 O ATOM 1619 CB LYS B 17 -5.139 38.685 104.971 1.00 60.22 C ATOM 1620 CG LYS B 17 -6.161 39.217 105.914 1.00 61.04 C ATOM 1621 CD LYS B 17 -7.060 40.317 105.208 1.00 64.36 C ATOM 1622 CE LYS B 17 -7.973 41.162 106.169 1.00 60.40 C ATOM 1623 NZ LYS B 17 -8.202 40.495 107.487 1.00 59.73 N ATOM 1624 N LYS B 18 -2.951 36.265 104.009 1.00 59.46 N ATOM 1625 CA LYS B 18 -2.577 35.252 103.009 1.00 59.29 C ATOM 1626 C LYS B 18 -3.033 35.533 101.543 1.00 60.05 C ATOM 1627 O LYS B 18 -3.283 34.634 100.736 1.00 59.87 O ATOM 1628 CB LYS B 18 -2.966 33.856 103.460 1.00 58.43 C ATOM 1629 CG LYS B 18 -2.343 33.433 104.725 1.00 55.75 C ATOM 1630 CD LYS B 18 -2.405 31.944 104.814 1.00 52.31 C ATOM 1631 CE LYS B 18 -2.300 31.449 106.241 1.00 50.17 C ATOM 1632 NZ LYS B 18 -2.361 29.951 106.203 1.00 50.03 N ATOM 1633 N LEU B 19 -3.046 36.805 101.201 1.00 61.11 N ATOM 1634 CA LEU B 19 -3.317 37.235 99.834 1.00 63.23 C ATOM 1635 C LEU B 19 -2.019 37.828 99.259 1.00 64.25 C ATOM 1636 O LEU B 19 -1.177 38.358 100.021 1.00 64.16 O ATOM 1637 CB LEU B 19 -4.490 38.261 99.796 1.00 63.05 C ATOM 1638 CG LEU B 19 -5.662 37.880 100.743 1.00 63.04 C ATOM 1639 CD1 LEU B 19 -5.757 38.806 102.005 1.00 60.11 C ATOM 1640 CD2 LEU B 19 -7.038 37.598 100.028 1.00 64.72 C ATOM 1641 N LYS B 20 -1.869 37.722 97.926 1.00 64.96 N ATOM 1642 CA LYS B 20 -0.756 38.337 97.194 1.00 64.99 C ATOM 1643 C LYS B 20 -0.543 39.797 97.647 1.00 65.16 C ATOM 1644 O LYS B 20 -1.508 40.573 97.829 1.00 64.55 O ATOM 1645 CB LYS B 20 -1.027 38.245 95.705 1.00 64.61 C ATOM 1646 CG LYS B 20 0.148 38.494 94.836 1.00 66.27 C ATOM 1647 CD LYS B 20 0.331 37.286 93.925 1.00 71.55 C ATOM 1648 CE LYS B 20 1.294 37.593 92.785 1.00 73.47 C ATOM 1649 NZ LYS B 20 0.943 38.972 92.340 1.00 70.94 N ATOM 1650 N CYS B 21 0.715 40.130 97.926 1.00 64.83 N ATOM 1651 CA CYS B 21 1.076 41.491 98.246 1.00 64.84 C ATOM 1652 C CYS B 21 1.746 42.193 97.007 1.00 65.23 C ATOM 1653 O CYS B 21 2.547 41.572 96.281 1.00 64.32 O ATOM 1654 CB CYS B 21 1.977 41.481 99.461 1.00 63.80 C ATOM 1655 SG CYS B 21 2.514 43.107 99.947 1.00 65.03 S ATOM 1656 N SER B 22 1.407 43.463 96.740 1.00 65.74 N ATOM 1657 CA SER B 22 2.071 44.166 95.623 1.00 66.70 C ATOM 1658 C SER B 22 3.531 44.467 95.972 1.00 67.42 C ATOM 1659 O SER B 22 4.409 44.417 95.114 1.00 66.39 O ATOM 1660 CB SER B 22 1.320 45.424 95.214 1.00 66.08 C ATOM 1661 OG SER B 22 1.141 46.263 96.326 1.00 65.33 O ATOM 1662 N LYS B 23 3.759 44.762 97.251 1.00 69.23 N ATOM 1663 CA LYS B 23 5.098 44.807 97.882 1.00 71.33 C ATOM 1664 C LYS B 23 5.882 46.087 97.611 1.00 72.97 C ATOM 1665 O LYS B 23 7.047 46.191 98.035 1.00 73.32 O ATOM 1666 CB LYS B 23 5.982 43.595 97.514 1.00 70.80 C ATOM 1667 CG LYS B 23 5.368 42.248 97.745 1.00 70.34 C ATOM 1668 CD LYS B 23 6.415 41.190 97.725 1.00 69.92 C ATOM 1669 CE LYS B 23 5.796 39.844 97.668 1.00 67.54 C ATOM 1670 NZ LYS B 23 6.843 39.042 97.009 1.00 71.11 N ATOM 1671 N GLU B 24 5.238 47.045 96.936 1.00 74.51 N ATOM 1672 CA GLU B 24 5.857 48.308 96.483 1.00 76.33 C ATOM 1673 C GLU B 24 6.334 49.229 97.626 1.00 77.03 C ATOM 1674 O GLU B 24 6.303 48.827 98.803 1.00 77.59 O ATOM 1675 CB GLU B 24 4.847 49.022 95.610 1.00 76.41 C ATOM 1676 CG GLU B 24 3.420 48.664 96.022 1.00 78.57 C ATOM 1677 CD GLU B 24 2.375 48.947 94.935 1.00 81.19 C ATOM 1678 OE1 GLU B 24 2.704 48.827 93.721 1.00 80.64 O ATOM 1679 OE2 GLU B 24 1.216 49.271 95.312 1.00 80.87 O ATOM 1680 N LYS B 25 6.784 50.451 97.307 1.00 77.48 N ATOM 1681 CA LYS B 25 7.303 51.353 98.370 1.00 77.82 C ATOM 1682 C LYS B 25 6.808 52.816 98.349 1.00 78.23 C ATOM 1683 O LYS B 25 6.992 53.522 97.353 1.00 78.46 O ATOM 1684 CB LYS B 25 8.841 51.245 98.484 1.00 77.95 C ATOM 1685 CG LYS B 25 9.329 49.959 99.161 1.00 75.17 C ATOM 1686 CD LYS B 25 9.191 50.042 100.648 1.00 73.69 C ATOM 1687 CE LYS B 25 9.215 48.639 101.352 1.00 74.84 C ATOM 1688 NZ LYS B 25 9.834 47.484 100.629 1.00 71.19 N ATOM 1689 N PRO B 26 6.214 53.294 99.469 1.00 78.58 N ATOM 1690 CA PRO B 26 6.223 52.706 100.812 1.00 78.81 C ATOM 1691 C PRO B 26 5.181 51.601 100.978 1.00 79.15 C ATOM 1692 O PRO B 26 5.554 50.445 101.098 1.00 79.26 O ATOM 1693 CB PRO B 26 5.913 53.901 101.715 1.00 78.66 C ATOM 1694 CG PRO B 26 5.049 54.788 100.866 1.00 78.45 C ATOM 1695 CD PRO B 26 5.385 54.518 99.416 1.00 78.51 C ATOM 1696 N LYS B 27 3.900 51.963 100.966 1.00 79.92 N ATOM 1697 CA LYS B 27 2.771 51.026 101.085 1.00 80.67 C ATOM 1698 C LYS B 27 2.641 50.072 99.884 1.00 80.20 C ATOM 1699 O LYS B 27 3.583 49.869 99.116 1.00 80.49 O ATOM 1700 CB LYS B 27 1.438 51.794 101.198 1.00 81.12 C ATOM 1701 CG LYS B 27 1.223 52.705 102.415 1.00 82.27 C ATOM 1702 CD LYS B 27 0.033 53.667 102.125 1.00 81.98 C ATOM 1703 CE LYS B 27 -0.579 54.323 103.388 1.00 83.08 C ATOM 1704 NZ LYS B 27 -1.387 53.356 104.214 1.00 83.42 N ATOM 1705 N CYS B 28 1.436 49.523 99.725 1.00 79.52 N ATOM 1706 CA CYS B 28 1.116 48.536 98.695 1.00 78.40 C ATOM 1707 C CYS B 28 -0.412 48.503 98.451 1.00 78.92 C ATOM 1708 O CYS B 28 -1.191 48.957 99.305 1.00 78.34 O ATOM 1709 CB CYS B 28 1.629 47.159 99.123 1.00 77.87 C ATOM 1710 SG CYS B 28 0.866 46.579 100.650 1.00 72.91 S ATOM 1711 N ALA B 29 -0.821 47.940 97.308 1.00 79.51 N ATOM 1712 CA ALA B 29 -2.215 48.007 96.819 1.00 80.45 C ATOM 1713 C ALA B 29 -3.326 47.906 97.883 1.00 80.87 C ATOM 1714 O ALA B 29 -4.084 48.863 98.054 1.00 81.76 O ATOM 1715 CB ALA B 29 -2.476 47.039 95.616 1.00 80.42 C ATOM 1716 N LYS B 30 -3.431 46.797 98.607 1.00 80.69 N ATOM 1717 CA LYS B 30 -4.571 46.647 99.529 1.00 80.79 C ATOM 1718 C LYS B 30 -4.483 47.436 100.876 1.00 80.43 C ATOM 1719 O LYS B 30 -5.517 47.885 101.410 1.00 81.01 O ATOM 1720 CB LYS B 30 -4.999 45.167 99.705 1.00 80.71 C ATOM 1721 CG LYS B 30 -4.899 44.323 98.413 1.00 82.59 C ATOM 1722 CD LYS B 30 -3.639 43.390 98.460 1.00 86.24 C ATOM 1723 CE LYS B 30 -2.804 43.428 97.159 1.00 87.44 C ATOM 1724 NZ LYS B 30 -3.534 42.885 95.960 1.00 88.13 N ATOM 1725 N CYS B 31 -3.280 47.642 101.414 1.00 79.57 N ATOM 1726 CA CYS B 31 -3.153 48.525 102.576 1.00 78.03 C ATOM 1727 C CYS B 31 -3.487 49.982 102.093 1.00 78.25 C ATOM 1728 O CYS B 31 -4.262 50.703 102.731 1.00 77.16 O ATOM 1729 CB CYS B 31 -1.776 48.362 103.295 1.00 78.28 C ATOM 1730 SG CYS B 31 -1.241 46.671 104.318 1.00 74.62 S ATOM 1731 N LEU B 32 -2.958 50.367 100.928 1.00 78.04 N ATOM 1732 CA LEU B 32 -3.209 51.692 100.331 1.00 78.23 C ATOM 1733 C LEU B 32 -4.690 51.950 100.022 1.00 78.63 C ATOM 1734 O LEU B 32 -5.299 52.869 100.581 1.00 78.02 O ATOM 1735 CB LEU B 32 -2.403 51.874 99.026 1.00 78.23 C ATOM 1736 CG LEU B 32 -2.867 52.962 98.028 1.00 75.82 C ATOM 1737 CD1 LEU B 32 -2.135 54.258 98.313 1.00 73.59 C ATOM 1738 CD2 LEU B 32 -2.684 52.510 96.566 1.00 73.29 C ATOM 1739 N LYS B 33 -5.208 51.158 99.075 1.00 78.99 N ATOM 1740 CA LYS B 33 -6.616 51.058 98.746 1.00 79.32 C ATOM 1741 C LYS B 33 -7.410 50.970 100.029 1.00 79.79 C ATOM 1742 O LYS B 33 -7.908 51.962 100.522 1.00 79.91 O ATOM 1743 CB LYS B 33 -6.888 49.767 97.965 1.00 79.35 C ATOM 1744 CG LYS B 33 -6.458 49.684 96.513 1.00 78.30 C ATOM 1745 CD LYS B 33 -7.500 48.830 95.802 1.00 77.04 C ATOM 1746 CE LYS B 33 -8.869 49.567 95.812 1.00 75.58 C ATOM 1747 NZ LYS B 33 -10.038 48.686 96.100 1.00 73.19 N ATOM 1748 N ASN B 34 -7.478 49.768 100.589 1.00 80.67 N ATOM 1749 CA ASN B 34 -8.427 49.447 101.648 1.00 81.42 C ATOM 1750 C ASN B 34 -8.380 50.393 102.828 1.00 81.71 C ATOM 1751 O ASN B 34 -9.258 50.358 103.698 1.00 81.45 O ATOM 1752 CB ASN B 34 -8.222 48.012 102.137 1.00 81.42 C ATOM 1753 CG ASN B 34 -9.537 47.282 102.336 1.00 81.94 C ATOM 1754 OD1 ASN B 34 -9.763 46.237 101.725 1.00 82.10 O ATOM 1755 ND2 ASN B 34 -10.428 47.846 103.166 1.00 80.24 N ATOM 1756 N ASN B 35 -7.350 51.236 102.833 1.00 82.33 N ATOM 1757 CA ASN B 35 -7.074 52.178 103.914 1.00 83.05 C ATOM 1758 C ASN B 35 -6.587 51.542 105.225 1.00 83.49 C ATOM 1759 O ASN B 35 -7.340 51.453 106.225 1.00 83.45 O ATOM 1760 CB ASN B 35 -8.257 53.094 104.176 1.00 83.34 C ATOM 1761 CG ASN B 35 -7.839 54.375 104.834 1.00 84.06 C ATOM 1762 OD1 ASN B 35 -8.436 55.442 104.607 1.00 83.97 O ATOM 1763 ND2 ASN B 35 -6.785 54.293 105.639 1.00 83.33 N ATOM 1764 N TRP B 36 -5.315 51.113 105.186 1.00 83.58 N ATOM 1765 CA TRP B 36 -4.595 50.489 106.315 1.00 83.11 C ATOM 1766 C TRP B 36 -3.086 50.903 106.381 1.00 81.86 C ATOM 1767 O TRP B 36 -2.494 51.284 105.360 1.00 81.81 O ATOM 1768 CB TRP B 36 -4.787 48.959 106.270 1.00 83.91 C ATOM 1769 CG TRP B 36 -6.137 48.461 106.834 1.00 85.37 C ATOM 1770 CD1 TRP B 36 -6.964 49.101 107.767 1.00 86.30 C ATOM 1771 CD2 TRP B 36 -6.783 47.217 106.529 1.00 86.30 C ATOM 1772 NE1 TRP B 36 -8.069 48.321 108.032 1.00 86.36 N ATOM 1773 CE2 TRP B 36 -7.985 47.164 107.291 1.00 87.06 C ATOM 1774 CE3 TRP B 36 -6.465 46.134 105.689 1.00 86.60 C ATOM 1775 CZ2 TRP B 36 -8.867 46.061 107.227 1.00 87.02 C ATOM 1776 CZ3 TRP B 36 -7.343 45.036 105.634 1.00 85.98 C ATOM 1777 CH2 TRP B 36 -8.525 45.010 106.401 1.00 86.02 C ATOM 1778 N GLU B 37 -2.485 50.863 107.576 1.00 80.26 N ATOM 1779 CA GLU B 37 -1.064 51.230 107.751 1.00 78.76 C ATOM 1780 C GLU B 37 -0.163 50.002 107.459 1.00 77.26 C ATOM 1781 O GLU B 37 -0.020 49.091 108.284 1.00 77.06 O ATOM 1782 CB GLU B 37 -0.837 51.856 109.140 1.00 79.10 C ATOM 1783 CG GLU B 37 0.443 52.716 109.326 1.00 80.54 C ATOM 1784 CD GLU B 37 1.471 52.045 110.289 1.00 82.80 C ATOM 1785 OE1 GLU B 37 1.160 50.969 110.853 1.00 81.72 O ATOM 1786 OE2 GLU B 37 2.584 52.591 110.502 1.00 83.19 O ATOM 1787 N CYS B 38 0.404 49.983 106.251 1.00 74.72 N ATOM 1788 CA CYS B 38 1.164 48.856 105.719 1.00 73.82 C ATOM 1789 C CYS B 38 2.526 48.821 106.345 1.00 74.23 C ATOM 1790 O CYS B 38 3.253 49.824 106.283 1.00 74.14 O ATOM 1791 CB CYS B 38 1.388 49.069 104.240 1.00 73.58 C ATOM 1792 SG CYS B 38 1.928 47.664 103.301 1.00 70.68 S ATOM 1793 N ARG B 39 2.889 47.676 106.931 1.00 74.24 N ATOM 1794 CA ARG B 39 4.255 47.491 107.453 1.00 74.63 C ATOM 1795 C ARG B 39 5.011 46.252 106.984 1.00 72.75 C ATOM 1796 O ARG B 39 4.433 45.188 106.758 1.00 72.39 O ATOM 1797 CB ARG B 39 4.305 47.592 108.985 1.00 74.75 C ATOM 1798 CG ARG B 39 4.954 48.928 109.531 1.00 78.39 C ATOM 1799 CD ARG B 39 4.304 49.431 110.860 1.00 80.79 C ATOM 1800 NE ARG B 39 4.209 48.361 111.870 1.00 89.02 N ATOM 1801 CZ ARG B 39 3.245 47.426 111.927 1.00 92.64 C ATOM 1802 NH1 ARG B 39 2.240 47.405 111.036 1.00 94.33 N ATOM 1803 NH2 ARG B 39 3.286 46.491 112.881 1.00 92.96 N ATOM 1804 N TYR B 40 6.322 46.439 106.837 1.00 71.40 N ATOM 1805 CA TYR B 40 7.284 45.338 106.733 1.00 69.55 C ATOM 1806 C TYR B 40 8.111 45.159 108.062 1.00 68.73 C ATOM 1807 O TYR B 40 9.176 45.771 108.284 1.00 67.48 O ATOM 1808 CB TYR B 40 8.134 45.453 105.437 1.00 69.63 C ATOM 1809 CG TYR B 40 7.321 45.656 104.133 1.00 68.72 C ATOM 1810 CD1 TYR B 40 7.096 46.941 103.608 1.00 70.94 C ATOM 1811 CD2 TYR B 40 6.803 44.564 103.432 1.00 67.08 C ATOM 1812 CE1 TYR B 40 6.346 47.131 102.407 1.00 71.71 C ATOM 1813 CE2 TYR B 40 6.079 44.715 102.261 1.00 68.66 C ATOM 1814 CZ TYR B 40 5.837 46.004 101.735 1.00 71.54 C ATOM 1815 OH TYR B 40 5.090 46.154 100.567 1.00 68.86 O ATOM 1816 N SER B 41 7.554 44.331 108.955 1.00 68.45 N ATOM 1817 CA SER B 41 8.250 43.797 110.150 1.00 67.73 C ATOM 1818 C SER B 41 9.568 43.068 109.838 1.00 66.79 C ATOM 1819 O SER B 41 9.635 42.372 108.833 1.00 66.83 O ATOM 1820 CB SER B 41 7.319 42.826 110.888 1.00 68.01 C ATOM 1821 OG SER B 41 6.357 43.500 111.685 1.00 67.49 O ATOM 1822 N PRO B 42 10.623 43.239 110.685 1.00 66.66 N ATOM 1823 CA PRO B 42 11.851 42.412 110.691 1.00 66.41 C ATOM 1824 C PRO B 42 11.545 40.947 110.758 1.00 66.41 C ATOM 1825 O PRO B 42 10.565 40.568 111.368 1.00 66.01 O ATOM 1826 CB PRO B 42 12.500 42.807 111.999 1.00 66.47 C ATOM 1827 CG PRO B 42 12.199 44.283 112.070 1.00 65.30 C ATOM 1828 CD PRO B 42 10.743 44.321 111.685 1.00 66.59 C ATOM 1829 N LYS B 43 12.348 40.129 110.085 1.00 67.44 N ATOM 1830 CA LYS B 43 12.269 38.658 110.218 1.00 67.97 C ATOM 1831 C LYS B 43 12.435 38.332 111.697 1.00 67.29 C ATOM 1832 O LYS B 43 13.154 39.021 112.439 1.00 67.40 O ATOM 1833 CB LYS B 43 13.342 37.956 109.362 1.00 67.94 C ATOM 1834 CG LYS B 43 14.658 38.823 109.181 1.00 71.20 C ATOM 1835 CD LYS B 43 15.319 38.840 107.735 1.00 69.93 C ATOM 1836 CE LYS B 43 14.499 39.582 106.685 1.00 69.99 C ATOM 1837 NZ LYS B 43 15.067 39.341 105.328 1.00 70.71 N ATOM 1838 N THR B 44 11.739 37.303 112.138 1.00 66.82 N ATOM 1839 CA THR B 44 11.844 36.864 113.515 1.00 66.17 C ATOM 1840 C THR B 44 13.163 36.054 113.771 1.00 64.14 C ATOM 1841 O THR B 44 13.491 35.144 113.012 1.00 63.61 O ATOM 1842 CB THR B 44 10.542 36.117 113.853 1.00 66.95 C ATOM 1843 OG1 THR B 44 10.030 36.613 115.098 1.00 70.60 O ATOM 1844 CG2 THR B 44 10.720 34.621 113.878 1.00 66.87 C ATOM 1845 N LYS B 45 13.934 36.445 114.784 1.00 62.15 N ATOM 1846 CA LYS B 45 15.133 35.675 115.196 1.00 61.94 C ATOM 1847 C LYS B 45 14.726 34.307 115.756 1.00 58.58 C ATOM 1848 O LYS B 45 13.879 34.214 116.639 1.00 58.08 O ATOM 1849 CB LYS B 45 16.030 36.440 116.229 1.00 62.90 C ATOM 1850 CG LYS B 45 17.400 37.012 115.673 1.00 64.23 C ATOM 1851 CD LYS B 45 18.000 38.270 116.500 1.00 64.68 C ATOM 1852 CE LYS B 45 17.461 39.754 116.169 1.00 62.58 C ATOM 1853 NZ LYS B 45 17.139 40.183 114.761 1.00 59.99 N ATOM 1854 N ARG B 46 15.289 33.249 115.194 1.00 54.31 N ATOM 1855 CA ARG B 46 14.984 31.923 115.678 1.00 50.67 C ATOM 1856 C ARG B 46 16.302 31.235 115.959 1.00 44.23 C ATOM 1857 O ARG B 46 17.338 31.769 115.627 1.00 43.47 O ATOM 1858 CB ARG B 46 14.105 31.163 114.689 1.00 48.81 C ATOM 1859 CG ARG B 46 14.104 31.693 113.272 1.00 57.13 C ATOM 1860 CD ARG B 46 12.918 30.973 112.329 1.00 58.60 C ATOM 1861 NE ARG B 46 11.713 30.538 113.091 1.00 66.59 N ATOM 1862 CZ ARG B 46 10.475 30.447 112.606 1.00 69.30 C ATOM 1863 NH1 ARG B 46 10.217 30.779 111.335 1.00 70.95 N ATOM 1864 NH2 ARG B 46 9.497 30.051 113.420 1.00 72.04 N ATOM 1865 N SER B 47 16.310 30.076 116.588 1.00 38.42 N ATOM 1866 CA SER B 47 17.647 29.483 116.828 1.00 33.50 C ATOM 1867 C SER B 47 18.096 28.788 115.557 1.00 30.07 C ATOM 1868 O SER B 47 17.287 28.436 114.744 1.00 30.28 O ATOM 1869 CB SER B 47 17.580 28.554 117.989 1.00 32.35 C ATOM 1870 OG SER B 47 16.566 27.625 117.733 1.00 28.04 O ATOM 1871 N PRO B 48 19.380 28.700 115.320 1.00 27.57 N ATOM 1872 CA PRO B 48 19.826 28.017 114.077 1.00 25.22 C ATOM 1873 C PRO B 48 19.450 26.572 114.087 1.00 23.93 C ATOM 1874 O PRO B 48 19.674 25.950 115.090 1.00 25.49 O ATOM 1875 CB PRO B 48 21.343 28.103 114.144 1.00 22.89 C ATOM 1876 CG PRO B 48 21.702 28.602 115.486 1.00 24.98 C ATOM 1877 CD PRO B 48 20.510 29.307 116.060 1.00 27.21 C ATOM 1878 N LEU B 49 18.941 26.046 112.984 1.00 20.93 N ATOM 1879 CA LEU B 49 18.597 24.708 112.890 1.00 21.27 C ATOM 1880 C LEU B 49 19.805 24.081 112.190 1.00 22.43 C ATOM 1881 O LEU B 49 19.772 23.880 110.953 1.00 24.47 O ATOM 1882 CB LEU B 49 17.335 24.575 111.978 1.00 21.37 C ATOM 1883 CG LEU B 49 16.696 23.167 111.922 1.00 22.57 C ATOM 1884 CD1 LEU B 49 16.265 22.653 113.267 1.00 23.58 C ATOM 1885 CD2 LEU B 49 15.515 23.041 110.961 1.00 20.20 C ATOM 1886 N THR B 50 20.886 23.904 112.920 1.00 20.97 N ATOM 1887 CA THR B 50 21.993 23.143 112.436 1.00 21.69 C ATOM 1888 C THR B 50 22.137 21.871 113.298 1.00 21.71 C ATOM 1889 O THR B 50 21.555 21.690 114.354 1.00 20.97 O ATOM 1890 CB THR B 50 23.289 23.949 112.659 1.00 22.48 C ATOM 1891 OG1 THR B 50 23.421 24.129 114.088 1.00 26.43 O ATOM 1892 CG2 THR B 50 23.189 25.344 112.103 1.00 19.76 C ATOM 1893 N ARG B 51 23.034 21.033 112.922 1.00 20.94 N ATOM 1894 CA ARG B 51 23.085 19.848 113.560 1.00 21.22 C ATOM 1895 C ARG B 51 23.906 20.102 114.790 1.00 23.18 C ATOM 1896 O ARG B 51 23.656 19.417 115.862 1.00 24.93 O ATOM 1897 CB ARG B 51 23.838 18.861 112.679 1.00 21.08 C ATOM 1898 CG ARG B 51 24.345 17.695 113.580 1.00 21.05 C ATOM 1899 CD ARG B 51 23.598 16.516 113.063 1.00 23.06 C ATOM 1900 NE ARG B 51 22.518 16.093 113.873 1.00 13.38 N ATOM 1901 CZ ARG B 51 21.315 15.680 113.495 1.00 16.39 C ATOM 1902 NH1 ARG B 51 20.905 15.551 112.182 1.00 17.61 N ATOM 1903 NH2 ARG B 51 20.504 15.341 114.521 1.00 16.13 N ATOM 1904 N ALA B 52 24.922 21.004 114.669 1.00 21.68 N ATOM 1905 CA ALA B 52 25.843 21.316 115.854 1.00 20.25 C ATOM 1906 C ALA B 52 24.886 21.906 116.879 1.00 21.77 C ATOM 1907 O ALA B 52 24.925 21.622 118.043 1.00 21.57 O ATOM 1908 CB ALA B 52 26.917 22.372 115.507 1.00 15.72 C ATOM 1909 N HIS B 53 23.953 22.741 116.446 1.00 22.31 N ATOM 1910 CA HIS B 53 23.168 23.294 117.500 1.00 23.48 C ATOM 1911 C HIS B 53 22.141 22.392 118.074 1.00 23.89 C ATOM 1912 O HIS B 53 22.039 22.392 119.263 1.00 24.94 O ATOM 1913 CB HIS B 53 22.580 24.615 117.141 1.00 23.48 C ATOM 1914 CG HIS B 53 21.678 25.187 118.181 1.00 24.42 C ATOM 1915 ND1 HIS B 53 22.165 25.877 119.292 1.00 23.26 N ATOM 1916 CD2 HIS B 53 20.325 25.283 118.217 1.00 20.24 C ATOM 1917 CE1 HIS B 53 21.124 26.301 119.995 1.00 20.90 C ATOM 1918 NE2 HIS B 53 20.005 25.927 119.384 1.00 20.54 N ATOM 1919 N LEU B 54 21.421 21.591 117.299 1.00 22.18 N ATOM 1920 CA LEU B 54 20.608 20.586 117.920 1.00 21.18 C ATOM 1921 C LEU B 54 21.390 19.689 118.880 1.00 21.73 C ATOM 1922 O LEU B 54 20.879 19.329 119.948 1.00 21.77 O ATOM 1923 CB LEU B 54 20.173 19.578 116.930 1.00 20.94 C ATOM 1924 CG LEU B 54 18.806 18.940 117.088 1.00 20.56 C ATOM 1925 CD1 LEU B 54 18.951 17.635 116.603 1.00 20.83 C ATOM 1926 CD2 LEU B 54 18.146 18.818 118.449 1.00 13.17 C ATOM 1927 N THR B 55 22.587 19.278 118.515 1.00 19.37 N ATOM 1928 CA THR B 55 23.408 18.515 119.446 1.00 19.40 C ATOM 1929 C THR B 55 23.849 19.270 120.704 1.00 21.10 C ATOM 1930 O THR B 55 23.933 18.684 121.769 1.00 21.59 O ATOM 1931 CB THR B 55 24.673 18.099 118.683 1.00 20.67 C ATOM 1932 OG1 THR B 55 24.190 17.351 117.589 1.00 25.07 O ATOM 1933 CG2 THR B 55 25.727 17.212 119.458 1.00 12.48 C ATOM 1934 N GLU B 56 24.216 20.547 120.623 1.00 23.89 N ATOM 1935 CA GLU B 56 24.443 21.329 121.892 1.00 26.63 C ATOM 1936 C GLU B 56 23.267 21.130 122.802 1.00 24.56 C ATOM 1937 O GLU B 56 23.464 20.707 123.937 1.00 26.03 O ATOM 1938 CB GLU B 56 24.542 22.821 121.706 1.00 27.99 C ATOM 1939 CG GLU B 56 25.921 23.350 121.673 1.00 41.02 C ATOM 1940 CD GLU B 56 26.106 24.641 120.733 1.00 53.10 C ATOM 1941 OE1 GLU B 56 25.138 25.287 120.128 1.00 56.30 O ATOM 1942 OE2 GLU B 56 27.318 24.949 120.581 1.00 59.84 O ATOM 1943 N VAL B 57 22.078 21.396 122.293 1.00 20.79 N ATOM 1944 CA VAL B 57 20.942 21.377 123.070 1.00 21.27 C ATOM 1945 C VAL B 57 20.520 19.940 123.443 1.00 23.30 C ATOM 1946 O VAL B 57 20.177 19.768 124.518 1.00 23.72 O ATOM 1947 CB VAL B 57 19.858 21.964 122.288 1.00 23.34 C ATOM 1948 CG1 VAL B 57 18.626 21.468 122.753 1.00 22.48 C ATOM 1949 CG2 VAL B 57 19.827 23.554 122.357 1.00 17.25 C ATOM 1950 N GLU B 58 20.605 18.885 122.625 1.00 23.07 N ATOM 1951 CA GLU B 58 20.187 17.634 123.118 1.00 22.90 C ATOM 1952 C GLU B 58 21.205 17.186 124.156 1.00 23.54 C ATOM 1953 O GLU B 58 20.868 16.508 125.105 1.00 21.81 O ATOM 1954 CB GLU B 58 20.133 16.502 122.058 1.00 22.74 C ATOM 1955 CG GLU B 58 19.158 16.800 120.941 1.00 25.36 C ATOM 1956 CD GLU B 58 19.440 16.033 119.668 1.00 30.26 C ATOM 1957 OE1 GLU B 58 18.454 15.676 118.984 1.00 35.53 O ATOM 1958 OE2 GLU B 58 20.611 15.778 119.316 1.00 36.22 O ATOM 1959 N SER B 59 22.456 17.554 124.028 1.00 22.75 N ATOM 1960 CA SER B 59 23.328 16.890 124.915 1.00 23.48 C ATOM 1961 C SER B 59 23.390 17.593 126.294 1.00 24.79 C ATOM 1962 O SER B 59 23.675 16.967 127.344 1.00 27.06 O ATOM 1963 CB SER B 59 24.638 16.797 124.223 1.00 23.95 C ATOM 1964 OG SER B 59 25.219 17.909 124.649 1.00 25.23 O ATOM 1965 N ARG B 60 22.954 18.846 126.356 1.00 24.86 N ATOM 1966 CA ARG B 60 22.883 19.527 127.673 1.00 24.24 C ATOM 1967 C ARG B 60 21.587 19.098 128.271 1.00 22.61 C ATOM 1968 O ARG B 60 21.449 18.864 129.434 1.00 23.27 O ATOM 1969 CB ARG B 60 22.856 21.059 127.502 1.00 21.69 C ATOM 1970 CG ARG B 60 22.709 21.753 128.756 1.00 23.55 C ATOM 1971 CD ARG B 60 22.716 23.408 128.679 1.00 28.51 C ATOM 1972 NE ARG B 60 22.649 23.984 130.070 1.00 28.69 N ATOM 1973 CZ ARG B 60 23.661 24.131 130.930 1.00 28.56 C ATOM 1974 NH1 ARG B 60 24.960 23.847 130.594 1.00 29.71 N ATOM 1975 NH2 ARG B 60 23.357 24.576 132.167 1.00 26.65 N ATOM 1976 N LEU B 61 20.557 18.972 127.494 1.00 21.23 N ATOM 1977 CA LEU B 61 19.376 18.495 128.151 1.00 20.07 C ATOM 1978 C LEU B 61 19.707 17.163 128.694 1.00 20.70 C ATOM 1979 O LEU B 61 19.389 16.836 129.813 1.00 23.14 O ATOM 1980 CB LEU B 61 18.282 18.410 127.190 1.00 19.01 C ATOM 1981 CG LEU B 61 17.150 17.507 127.600 1.00 21.44 C ATOM 1982 CD1 LEU B 61 16.317 18.088 128.704 1.00 20.26 C ATOM 1983 CD2 LEU B 61 16.256 17.391 126.498 1.00 17.00 C ATOM 1984 N GLU B 62 20.468 16.353 128.020 1.00 22.22 N ATOM 1985 CA GLU B 62 20.658 14.987 128.599 1.00 23.32 C ATOM 1986 C GLU B 62 21.432 15.076 129.898 1.00 25.35 C ATOM 1987 O GLU B 62 21.180 14.372 130.850 1.00 26.09 O ATOM 1988 CB GLU B 62 21.463 14.133 127.692 1.00 21.50 C ATOM 1989 CG GLU B 62 21.476 12.752 128.111 1.00 26.97 C ATOM 1990 CD GLU B 62 21.894 11.807 126.950 1.00 35.50 C ATOM 1991 OE1 GLU B 62 23.129 11.649 126.700 1.00 30.65 O ATOM 1992 OE2 GLU B 62 20.959 11.188 126.328 1.00 39.21 O ATOM 1993 N ARG B 63 22.425 15.906 129.949 1.00 26.30 N ATOM 1994 CA ARG B 63 23.222 15.915 131.153 1.00 27.57 C ATOM 1995 C ARG B 63 22.465 16.535 132.332 1.00 26.36 C ATOM 1996 O ARG B 63 22.657 16.091 133.520 1.00 26.62 O ATOM 1997 CB ARG B 63 24.590 16.526 130.837 1.00 29.38 C ATOM 1998 CG ARG B 63 25.402 16.661 132.017 1.00 37.68 C ATOM 1999 CD ARG B 63 25.538 15.391 132.914 1.00 41.37 C ATOM 2000 NE ARG B 63 26.971 15.150 133.084 1.00 46.61 N ATOM 2001 CZ ARG B 63 27.653 14.389 132.209 1.00 46.04 C ATOM 2002 NH1 ARG B 63 27.029 13.760 131.214 1.00 40.25 N ATOM 2003 NH2 ARG B 63 28.939 14.215 132.356 1.00 47.40 N ATOM 2004 N LEU B 64 21.464 17.392 132.045 1.00 25.00 N ATOM 2005 CA LEU B 64 20.698 17.960 133.195 1.00 24.04 C ATOM 2006 C LEU B 64 19.794 16.893 133.583 1.00 23.47 C ATOM 2007 O LEU B 64 19.658 16.604 134.734 1.00 22.09 O ATOM 2008 CB LEU B 64 19.900 19.211 132.899 1.00 25.47 C ATOM 2009 CG LEU B 64 20.419 20.659 133.126 1.00 25.63 C ATOM 2010 CD1 LEU B 64 21.809 20.708 133.593 1.00 23.96 C ATOM 2011 CD2 LEU B 64 20.241 21.467 131.905 1.00 21.26 C ATOM 2012 N GLU B 65 19.269 16.139 132.631 1.00 24.57 N ATOM 2013 CA GLU B 65 18.495 14.948 133.106 1.00 25.11 C ATOM 2014 C GLU B 65 19.342 14.004 133.911 1.00 23.87 C ATOM 2015 O GLU B 65 18.881 13.512 134.866 1.00 24.99 O ATOM 2016 CB GLU B 65 17.920 14.191 131.988 1.00 26.61 C ATOM 2017 CG GLU B 65 16.859 14.957 131.262 1.00 30.87 C ATOM 2018 CD GLU B 65 16.456 14.332 129.944 1.00 36.02 C ATOM 2019 OE1 GLU B 65 17.265 13.625 129.273 1.00 42.91 O ATOM 2020 OE2 GLU B 65 15.298 14.541 129.567 1.00 39.05 O ATOM 2021 N GLN B 66 20.614 13.830 133.624 1.00 22.94 N ATOM 2022 CA GLN B 66 21.356 12.778 134.345 1.00 22.13 C ATOM 2023 C GLN B 66 21.575 13.268 135.784 1.00 23.40 C ATOM 2024 O GLN B 66 21.401 12.560 136.721 1.00 20.40 O ATOM 2025 CB GLN B 66 22.683 12.558 133.672 1.00 21.34 C ATOM 2026 CG GLN B 66 22.630 11.630 132.402 1.00 20.98 C ATOM 2027 CD GLN B 66 23.926 11.737 131.568 1.00 22.85 C ATOM 2028 OE1 GLN B 66 24.403 12.829 131.220 1.00 28.24 O ATOM 2029 NE2 GLN B 66 24.509 10.586 131.253 1.00 31.48 N ATOM 2030 N LEU B 67 21.857 14.563 135.933 1.00 24.04 N ATOM 2031 CA LEU B 67 22.108 15.100 137.226 1.00 22.66 C ATOM 2032 C LEU B 67 20.796 15.093 138.009 1.00 21.97 C ATOM 2033 O LEU B 67 20.740 14.718 139.214 1.00 21.68 O ATOM 2034 CB LEU B 67 22.698 16.488 136.990 1.00 22.94 C ATOM 2035 CG LEU B 67 23.471 17.242 138.078 1.00 28.38 C ATOM 2036 CD1 LEU B 67 23.301 18.809 137.947 1.00 27.64 C ATOM 2037 CD2 LEU B 67 23.368 16.847 139.630 1.00 23.88 C ATOM 2038 N PHE B 68 19.693 15.385 137.317 1.00 22.02 N ATOM 2039 CA PHE B 68 18.393 15.488 138.009 1.00 21.80 C ATOM 2040 C PHE B 68 18.056 14.155 138.726 1.00 22.99 C ATOM 2041 O PHE B 68 17.502 14.136 139.760 1.00 22.90 O ATOM 2042 CB PHE B 68 17.318 15.727 136.965 1.00 22.45 C ATOM 2043 CG PHE B 68 15.945 15.682 137.520 1.00 24.38 C ATOM 2044 CD1 PHE B 68 15.329 14.477 137.743 1.00 25.97 C ATOM 2045 CD2 PHE B 68 15.307 16.866 137.955 1.00 29.79 C ATOM 2046 CE1 PHE B 68 14.090 14.463 138.270 1.00 29.55 C ATOM 2047 CE2 PHE B 68 14.057 16.848 138.587 1.00 24.29 C ATOM 2048 CZ PHE B 68 13.442 15.719 138.726 1.00 25.89 C ATOM 2049 N LEU B 69 18.395 13.045 138.101 1.00 21.02 N ATOM 2050 CA LEU B 69 18.159 11.763 138.581 1.00 21.46 C ATOM 2051 C LEU B 69 19.038 11.343 139.747 1.00 23.17 C ATOM 2052 O LEU B 69 18.807 10.240 140.266 1.00 22.68 O ATOM 2053 CB LEU B 69 18.518 10.795 137.426 1.00 21.72 C ATOM 2054 CG LEU B 69 17.300 10.158 136.851 1.00 20.77 C ATOM 2055 CD1 LEU B 69 16.022 10.835 137.219 1.00 21.94 C ATOM 2056 CD2 LEU B 69 17.392 9.788 135.476 1.00 20.49 C ATOM 2057 N LEU B 70 20.091 12.080 140.083 1.00 23.05 N ATOM 2058 CA LEU B 70 20.823 11.778 141.307 1.00 24.80 C ATOM 2059 C LEU B 70 20.132 12.484 142.425 1.00 27.41 C ATOM 2060 O LEU B 70 20.375 12.245 143.609 1.00 28.73 O ATOM 2061 CB LEU B 70 22.224 12.365 141.267 1.00 24.39 C ATOM 2062 CG LEU B 70 22.982 11.522 140.268 1.00 25.28 C ATOM 2063 CD1 LEU B 70 24.083 12.311 139.640 1.00 23.46 C ATOM 2064 CD2 LEU B 70 23.559 10.343 141.005 1.00 28.38 C ATOM 2065 N ILE B 71 19.250 13.395 142.085 1.00 28.67 N ATOM 2066 CA ILE B 71 18.632 14.085 143.159 1.00 28.24 C ATOM 2067 C ILE B 71 17.259 13.639 143.353 1.00 28.56 C ATOM 2068 O ILE B 71 16.809 13.610 144.451 1.00 30.56 O ATOM 2069 CB ILE B 71 18.525 15.575 142.895 1.00 28.96 C ATOM 2070 CG1 ILE B 71 19.931 16.159 142.848 1.00 25.60 C ATOM 2071 CG2 ILE B 71 17.756 16.142 144.035 1.00 32.47 C ATOM 2072 CD1 ILE B 71 20.139 17.448 142.056 1.00 23.22 C ATOM 2073 N PHE B 72 16.523 13.333 142.306 1.00 28.27 N ATOM 2074 CA PHE B 72 15.110 12.993 142.557 1.00 28.20 C ATOM 2075 C PHE B 72 14.623 11.918 141.704 1.00 27.62 C ATOM 2076 O PHE B 72 15.250 11.570 140.776 1.00 27.90 O ATOM 2077 CB PHE B 72 14.213 14.098 142.110 1.00 28.68 C ATOM 2078 CG PHE B 72 14.498 15.337 142.680 1.00 29.56 C ATOM 2079 CD1 PHE B 72 14.939 16.372 141.855 1.00 31.32 C ATOM 2080 CD2 PHE B 72 14.322 15.538 144.059 1.00 35.23 C ATOM 2081 CE1 PHE B 72 15.139 17.614 142.359 1.00 27.33 C ATOM 2082 CE2 PHE B 72 14.547 16.841 144.587 1.00 32.35 C ATOM 2083 CZ PHE B 72 14.955 17.864 143.666 1.00 26.81 C ATOM 2084 N PRO B 73 13.432 11.443 141.972 1.00 28.09 N ATOM 2085 CA PRO B 73 13.041 10.250 141.321 1.00 28.77 C ATOM 2086 C PRO B 73 12.742 10.438 139.869 1.00 28.99 C ATOM 2087 O PRO B 73 12.370 11.513 139.429 1.00 27.07 O ATOM 2088 CB PRO B 73 11.747 9.921 142.089 1.00 29.13 C ATOM 2089 CG PRO B 73 12.012 10.455 143.431 1.00 26.77 C ATOM 2090 CD PRO B 73 12.414 11.809 142.946 1.00 26.99 C ATOM 2091 N ARG B 74 12.792 9.353 139.133 1.00 30.01 N ATOM 2092 CA ARG B 74 12.551 9.529 137.688 1.00 31.62 C ATOM 2093 C ARG B 74 11.136 10.038 137.433 1.00 31.91 C ATOM 2094 O ARG B 74 10.954 10.939 136.664 1.00 31.28 O ATOM 2095 CB ARG B 74 12.906 8.264 136.847 1.00 30.45 C ATOM 2096 CG ARG B 74 12.209 8.166 135.563 1.00 30.41 C ATOM 2097 CD ARG B 74 12.866 8.784 134.429 1.00 34.24 C ATOM 2098 NE ARG B 74 13.528 7.732 133.638 1.00 44.15 N ATOM 2099 CZ ARG B 74 13.268 7.364 132.373 1.00 38.61 C ATOM 2100 NH1 ARG B 74 12.269 7.881 131.718 1.00 36.12 N ATOM 2101 NH2 ARG B 74 14.030 6.434 131.786 1.00 36.79 N ATOM 2102 N GLU B 75 10.149 9.465 138.106 1.00 32.81 N ATOM 2103 CA GLU B 75 8.804 9.982 137.967 1.00 34.44 C ATOM 2104 C GLU B 75 8.766 11.514 138.021 1.00 34.05 C ATOM 2105 O GLU B 75 7.978 12.121 137.320 1.00 35.40 O ATOM 2106 CB GLU B 75 7.879 9.378 138.998 1.00 33.97 C ATOM 2107 CG GLU B 75 8.042 9.971 140.378 1.00 42.71 C ATOM 2108 CD GLU B 75 7.024 9.367 141.371 1.00 52.46 C ATOM 2109 OE1 GLU B 75 7.303 9.313 142.626 1.00 53.37 O ATOM 2110 OE2 GLU B 75 5.955 8.920 140.848 1.00 54.32 O ATOM 2111 N ASP B 76 9.622 12.165 138.801 1.00 33.49 N ATOM 2112 CA ASP B 76 9.584 13.619 138.766 1.00 33.29 C ATOM 2113 C ASP B 76 10.179 14.137 137.491 1.00 33.73 C ATOM 2114 O ASP B 76 9.677 15.066 136.956 1.00 35.07 O ATOM 2115 CB ASP B 76 10.159 14.259 140.048 1.00 32.44 C ATOM 2116 CG ASP B 76 9.444 13.713 141.248 1.00 33.63 C ATOM 2117 OD1 ASP B 76 8.246 13.622 141.010 1.00 39.64 O ATOM 2118 OD2 ASP B 76 9.979 13.258 142.315 1.00 28.18 O ATOM 2119 N LEU B 77 11.232 13.533 136.963 1.00 34.33 N ATOM 2120 CA LEU B 77 11.775 14.019 135.716 1.00 33.95 C ATOM 2121 C LEU B 77 10.675 14.282 134.696 1.00 35.85 C ATOM 2122 O LEU B 77 10.622 15.356 134.059 1.00 36.67 O ATOM 2123 CB LEU B 77 12.673 12.984 135.111 1.00 32.96 C ATOM 2124 CG LEU B 77 13.990 13.477 134.605 1.00 26.77 C ATOM 2125 CD1 LEU B 77 14.103 12.697 133.548 1.00 14.52 C ATOM 2126 CD2 LEU B 77 13.872 14.978 134.223 1.00 22.95 C ATOM 2127 N ASP B 78 9.765 13.337 134.606 1.00 36.80 N ATOM 2128 CA ASP B 78 8.795 13.307 133.554 1.00 39.29 C ATOM 2129 C ASP B 78 7.767 14.395 133.779 1.00 40.64 C ATOM 2130 O ASP B 78 7.163 14.851 132.833 1.00 40.42 O ATOM 2131 CB ASP B 78 8.081 11.960 133.645 1.00 40.54 C ATOM 2132 CG ASP B 78 9.062 10.724 133.473 1.00 45.98 C ATOM 2133 OD1 ASP B 78 9.876 10.664 132.454 1.00 44.71 O ATOM 2134 OD2 ASP B 78 8.986 9.823 134.376 1.00 52.03 O ATOM 2135 N MET B 79 7.507 14.754 135.039 1.00 40.79 N ATOM 2136 CA MET B 79 6.575 15.778 135.267 1.00 44.35 C ATOM 2137 C MET B 79 7.196 17.139 134.802 1.00 43.46 C ATOM 2138 O MET B 79 6.561 17.906 134.083 1.00 45.29 O ATOM 2139 CB MET B 79 6.164 15.789 136.722 1.00 43.83 C ATOM 2140 CG MET B 79 5.219 14.629 137.216 1.00 47.46 C ATOM 2141 SD MET B 79 5.146 14.764 139.098 1.00 55.83 S ATOM 2142 CE MET B 79 4.441 13.152 139.674 1.00 49.76 C ATOM 2143 N ILE B 80 8.444 17.423 135.150 1.00 40.86 N ATOM 2144 CA ILE B 80 8.957 18.708 134.894 1.00 38.79 C ATOM 2145 C ILE B 80 9.106 18.872 133.468 1.00 37.71 C ATOM 2146 O ILE B 80 8.915 19.983 132.971 1.00 37.05 O ATOM 2147 CB ILE B 80 10.351 18.869 135.428 1.00 38.35 C ATOM 2148 CG1 ILE B 80 10.317 18.198 136.732 1.00 44.60 C ATOM 2149 CG2 ILE B 80 10.621 20.328 135.713 1.00 33.77 C ATOM 2150 CD1 ILE B 80 9.512 19.140 137.787 1.00 48.96 C ATOM 2151 N LEU B 81 9.584 17.816 132.824 1.00 37.55 N ATOM 2152 CA LEU B 81 9.912 17.909 131.423 1.00 37.78 C ATOM 2153 C LEU B 81 8.619 18.371 130.733 1.00 38.48 C ATOM 2154 O LEU B 81 8.659 19.039 129.710 1.00 36.72 O ATOM 2155 CB LEU B 81 10.273 16.549 130.904 1.00 38.62 C ATOM 2156 CG LEU B 81 11.713 16.135 131.103 1.00 38.11 C ATOM 2157 CD1 LEU B 81 11.885 14.693 130.635 1.00 31.46 C ATOM 2158 CD2 LEU B 81 12.634 17.035 130.350 1.00 39.31 C ATOM 2159 N LYS B 82 7.456 18.105 131.321 1.00 39.25 N ATOM 2160 CA LYS B 82 6.317 18.774 130.746 1.00 41.38 C ATOM 2161 C LYS B 82 5.768 20.065 131.319 1.00 40.89 C ATOM 2162 O LYS B 82 4.708 20.448 130.893 1.00 42.73 O ATOM 2163 CB LYS B 82 5.132 17.822 130.330 1.00 43.07 C ATOM 2164 CG LYS B 82 4.748 16.547 131.154 1.00 44.95 C ATOM 2165 CD LYS B 82 3.400 15.806 130.574 1.00 45.60 C ATOM 2166 CE LYS B 82 3.263 14.293 130.953 1.00 49.54 C ATOM 2167 NZ LYS B 82 4.577 13.554 130.640 1.00 55.69 N ATOM 2168 N MET B 83 6.370 20.777 132.255 1.00 39.14 N ATOM 2169 CA MET B 83 5.517 21.784 132.886 1.00 37.86 C ATOM 2170 C MET B 83 5.758 23.018 132.138 1.00 35.92 C ATOM 2171 O MET B 83 6.903 23.329 131.838 1.00 33.47 O ATOM 2172 CB MET B 83 5.857 22.028 134.346 1.00 36.53 C ATOM 2173 CG MET B 83 6.127 20.787 135.059 1.00 39.34 C ATOM 2174 SD MET B 83 5.769 20.854 136.848 1.00 43.35 S ATOM 2175 CE MET B 83 6.730 22.322 137.096 1.00 48.51 C ATOM 2176 N ASP B 84 4.683 23.767 131.875 1.00 35.93 N ATOM 2177 CA ASP B 84 4.833 25.133 131.348 1.00 35.07 C ATOM 2178 C ASP B 84 4.736 26.252 132.392 1.00 35.64 C ATOM 2179 O ASP B 84 5.059 27.384 132.073 1.00 36.42 O ATOM 2180 CB ASP B 84 3.832 25.373 130.241 1.00 35.05 C ATOM 2181 CG ASP B 84 4.044 26.730 129.518 1.00 39.57 C ATOM 2182 OD1 ASP B 84 5.077 26.918 128.787 1.00 41.14 O ATOM 2183 OD2 ASP B 84 3.150 27.617 129.676 1.00 43.38 O ATOM 2184 N SER B 85 4.362 25.977 133.640 1.00 34.66 N ATOM 2185 CA SER B 85 4.078 27.077 134.540 1.00 35.12 C ATOM 2186 C SER B 85 5.266 27.267 135.457 1.00 35.52 C ATOM 2187 O SER B 85 5.734 26.276 136.035 1.00 35.11 O ATOM 2188 CB SER B 85 2.802 26.784 135.373 1.00 34.57 C ATOM 2189 OG SER B 85 2.829 27.382 136.664 1.00 34.82 O ATOM 2190 N LEU B 86 5.732 28.511 135.635 1.00 34.53 N ATOM 2191 CA LEU B 86 6.810 28.688 136.558 1.00 35.85 C ATOM 2192 C LEU B 86 6.419 28.382 138.040 1.00 38.06 C ATOM 2193 O LEU B 86 7.328 27.917 138.771 1.00 39.95 O ATOM 2194 CB LEU B 86 7.503 30.037 136.402 1.00 34.09 C ATOM 2195 CG LEU B 86 8.458 30.267 135.195 1.00 35.55 C ATOM 2196 CD1 LEU B 86 8.576 31.804 134.950 1.00 34.74 C ATOM 2197 CD2 LEU B 86 9.851 29.715 135.277 1.00 26.53 C ATOM 2198 N GLN B 87 5.168 28.659 138.526 1.00 38.06 N ATOM 2199 CA GLN B 87 4.744 28.206 139.894 1.00 38.49 C ATOM 2200 C GLN B 87 4.879 26.637 139.962 1.00 38.59 C ATOM 2201 O GLN B 87 5.384 26.035 140.911 1.00 38.12 O ATOM 2202 CB GLN B 87 3.295 28.546 140.216 1.00 37.14 C ATOM 2203 CG GLN B 87 2.988 30.030 140.461 1.00 44.23 C ATOM 2204 CD GLN B 87 1.716 30.261 141.340 1.00 44.01 C ATOM 2205 OE1 GLN B 87 0.718 29.541 141.201 1.00 52.95 O ATOM 2206 NE2 GLN B 87 1.774 31.235 142.246 1.00 42.92 N ATOM 2207 N ASP B 88 4.464 25.953 138.921 1.00 37.59 N ATOM 2208 CA ASP B 88 4.523 24.550 139.074 1.00 37.48 C ATOM 2209 C ASP B 88 5.975 24.102 139.133 1.00 36.38 C ATOM 2210 O ASP B 88 6.269 23.214 139.938 1.00 37.57 O ATOM 2211 CB ASP B 88 3.641 23.782 138.041 1.00 37.62 C ATOM 2212 CG ASP B 88 2.137 24.263 138.050 1.00 39.65 C ATOM 2213 OD1 ASP B 88 1.667 25.120 138.899 1.00 37.22 O ATOM 2214 OD2 ASP B 88 1.421 23.783 137.144 1.00 43.57 O ATOM 2215 N ILE B 89 6.889 24.696 138.362 1.00 33.50 N ATOM 2216 CA ILE B 89 8.242 24.198 138.455 1.00 32.46 C ATOM 2217 C ILE B 89 8.729 24.500 139.875 1.00 33.90 C ATOM 2218 O ILE B 89 9.503 23.774 140.438 1.00 34.41 O ATOM 2219 CB ILE B 89 9.179 24.812 137.413 1.00 32.27 C ATOM 2220 CG1 ILE B 89 8.766 24.370 136.045 1.00 28.97 C ATOM 2221 CG2 ILE B 89 10.675 24.442 137.644 1.00 28.70 C ATOM 2222 CD1 ILE B 89 9.391 25.103 134.956 1.00 23.18 C ATOM 2223 N LYS B 90 8.243 25.528 140.521 1.00 35.01 N ATOM 2224 CA LYS B 90 8.859 25.812 141.799 1.00 36.65 C ATOM 2225 C LYS B 90 8.300 24.996 142.942 1.00 37.86 C ATOM 2226 O LYS B 90 9.031 24.601 143.870 1.00 37.59 O ATOM 2227 CB LYS B 90 8.848 27.286 142.086 1.00 35.27 C ATOM 2228 CG LYS B 90 9.660 27.652 143.241 1.00 36.85 C ATOM 2229 CD LYS B 90 9.117 28.937 143.799 1.00 38.96 C ATOM 2230 CE LYS B 90 10.105 29.653 144.664 1.00 41.69 C ATOM 2231 NZ LYS B 90 9.511 31.029 145.035 1.00 46.02 N ATOM 2232 N ALA B 91 7.008 24.741 142.857 1.00 40.11 N ATOM 2233 CA ALA B 91 6.271 23.955 143.865 1.00 42.75 C ATOM 2234 C ALA B 91 6.799 22.502 143.884 1.00 44.30 C ATOM 2235 O ALA B 91 6.986 21.864 144.919 1.00 42.52 O ATOM 2236 CB ALA B 91 4.771 23.985 143.532 1.00 42.50 C ATOM 2237 N LEU B 92 7.111 22.037 142.689 1.00 47.16 N ATOM 2238 CA LEU B 92 7.671 20.728 142.508 1.00 49.87 C ATOM 2239 C LEU B 92 8.861 20.565 143.415 1.00 50.46 C ATOM 2240 O LEU B 92 9.116 19.483 143.969 1.00 52.00 O ATOM 2241 CB LEU B 92 8.129 20.568 141.054 1.00 50.56 C ATOM 2242 CG LEU B 92 8.362 19.123 140.664 1.00 53.76 C ATOM 2243 CD1 LEU B 92 9.826 18.664 141.011 1.00 58.82 C ATOM 2244 CD2 LEU B 92 7.270 18.266 141.393 1.00 54.30 C ATOM 2245 N LEU B 93 9.586 21.651 143.552 1.00 50.51 N ATOM 2246 CA LEU B 93 10.859 21.619 144.148 1.00 50.64 C ATOM 2247 C LEU B 93 10.631 21.748 145.613 1.00 51.81 C ATOM 2248 O LEU B 93 11.394 21.205 146.381 1.00 54.31 O ATOM 2249 CB LEU B 93 11.625 22.825 143.647 1.00 50.77 C ATOM 2250 CG LEU B 93 13.130 22.710 143.559 1.00 48.63 C ATOM 2251 CD1 LEU B 93 13.641 23.883 144.368 1.00 47.47 C ATOM 2252 CD2 LEU B 93 13.651 21.391 144.121 1.00 41.18 C ATOM 2253 N THR B 94 9.576 22.464 145.993 1.00 52.13 N ATOM 2254 CA THR B 94 9.165 22.694 147.364 1.00 51.96 C ATOM 2255 C THR B 94 8.639 21.470 148.089 1.00 53.90 C ATOM 2256 O THR B 94 8.865 21.345 149.283 1.00 55.48 O ATOM 2257 CB THR B 94 8.037 23.716 147.348 1.00 51.91 C ATOM 2258 OG1 THR B 94 8.566 24.923 146.797 1.00 51.47 O ATOM 2259 CG2 THR B 94 7.419 23.958 148.770 1.00 48.79 C ATOM 2260 N GLY B 95 7.865 20.610 147.416 1.00 55.22 N ATOM 2261 CA GLY B 95 7.576 19.277 147.931 1.00 56.48 C ATOM 2262 C GLY B 95 8.876 18.478 148.007 1.00 57.97 C ATOM 2263 O GLY B 95 8.857 17.295 148.320 1.00 58.59 O ATOM 2264 N LEU B 96 10.015 19.120 147.704 1.00 58.88 N ATOM 2265 CA LEU B 96 11.381 18.571 147.939 1.00 58.92 C ATOM 2266 C LEU B 96 11.540 17.143 147.476 1.00 58.23 C ATOM 2267 O LEU B 96 11.124 16.852 146.375 1.00 57.78 O ATOM 2268 CB LEU B 96 11.734 18.619 149.417 1.00 59.62 C ATOM 2269 CG LEU B 96 11.802 19.942 150.198 1.00 60.21 C ATOM 2270 CD1 LEU B 96 12.026 19.511 151.670 1.00 55.85 C ATOM 2271 CD2 LEU B 96 12.847 21.060 149.616 1.00 56.28 C TER 2272 LEU B 96 HETATM 2273 C1 MPD D 100 17.701 20.236 108.184 1.00 30.41 C HETATM 2274 C2 MPD D 100 18.112 19.990 106.616 1.00 30.30 C HETATM 2275 O2 MPD D 100 19.352 20.785 106.175 1.00 19.11 O HETATM 2276 CM MPD D 100 18.342 18.522 106.273 1.00 28.71 C HETATM 2277 C3 MPD D 100 16.840 20.567 105.941 1.00 32.81 C HETATM 2278 C4 MPD D 100 16.577 22.014 106.561 1.00 35.95 C HETATM 2279 O4 MPD D 100 17.277 23.175 106.045 1.00 34.01 O HETATM 2280 C5 MPD D 100 15.171 22.449 106.718 1.00 40.82 C HETATM 2281 ZN ZN A1001 34.959 -0.003 99.419 1.00 77.47 ZN HETATM 2282 ZN ZN A1002 35.227 -2.745 101.094 1.00 77.62 ZN HETATM 2283 ZN ZN B 1 0.986 43.973 101.315 1.00 82.27 ZN HETATM 2284 ZN ZN B 2 0.321 46.445 103.165 1.00 95.03 ZN HETATM 2285 O HOH D 101 9.555 20.847 111.833 1.00 28.67 O HETATM 2286 O HOH D 102 6.533 22.838 105.291 1.00 35.49 O HETATM 2287 O HOH D 103 20.383 15.613 103.767 1.00 53.24 O HETATM 2288 O HOH D 104 35.447 16.296 95.628 1.00 50.98 O HETATM 2289 O HOH D 105 9.277 20.499 101.217 1.00 44.42 O HETATM 2290 O HOH D 106 11.935 29.434 103.382 1.00 45.32 O HETATM 2291 O HOH D 107 30.041 22.456 101.979 1.00 54.94 O HETATM 2292 O HOH D 108 28.241 23.258 98.923 1.00 43.14 O HETATM 2293 O HOH D 109 16.310 27.605 108.705 1.00 43.01 O HETATM 2294 O HOH D 110 9.783 26.168 109.886 1.00 39.79 O HETATM 2295 O HOH E 41 26.667 23.505 101.259 1.00 44.82 O HETATM 2296 O HOH E 42 26.750 24.802 108.359 1.00 49.97 O HETATM 2297 O HOH E 43 26.020 21.859 112.181 1.00 32.26 O HETATM 2298 O HOH E 44 23.480 24.329 98.865 1.00 37.44 O HETATM 2299 O HOH E 45 20.111 24.403 97.806 1.00 53.73 O HETATM 2300 O HOH E 46 24.236 26.264 100.883 1.00 50.66 O HETATM 2301 O HOH E 47 7.674 23.073 93.299 1.00 62.48 O HETATM 2302 O HOH E 48 4.095 29.555 94.558 1.00 54.30 O HETATM 2303 O HOH E 49 6.216 22.208 101.393 1.00 49.13 O HETATM 2304 O HOH E 50 12.185 29.917 100.075 1.00 58.35 O HETATM 2305 O HOH A1003 41.993 1.290 108.329 1.00 56.34 O HETATM 2306 O HOH A1004 7.802 21.254 118.577 1.00 34.16 O HETATM 2307 O HOH A1005 30.669 12.233 131.528 1.00 38.17 O HETATM 2308 O HOH A1006 7.372 21.535 121.500 1.00 46.62 O HETATM 2309 O HOH B 97 21.994 13.425 123.438 1.00 40.82 O HETATM 2310 O HOH B 98 10.031 7.342 139.875 1.00 29.08 O HETATM 2311 O HOH B 99 0.052 29.036 107.078 1.00 71.78 O HETATM 2312 O HOH B 100 10.678 11.538 130.551 1.00 43.90 O HETATM 2313 O HOH B 101 25.131 26.187 114.515 1.00 47.35 O HETATM 2314 O HOH B 102 27.106 20.892 118.752 1.00 28.58 O HETATM 2315 O HOH B 103 18.763 14.942 124.677 1.00 28.76 O HETATM 2316 O HOH B 104 22.714 13.860 120.134 1.00 35.98 O HETATM 2317 O HOH B 105 16.559 14.236 120.839 1.00 54.46 O CONECT 845 2281 2282 CONECT 867 2281 CONECT 982 2281 2282 CONECT 1002 2282 CONECT 1064 2282 CONECT 1573 2283 2284 CONECT 1595 2283 CONECT 1655 2283 CONECT 1710 2283 2284 CONECT 1730 2284 CONECT 1792 2284 CONECT 2273 2274 CONECT 2274 2273 2275 2276 2277 CONECT 2275 2274 CONECT 2276 2274 CONECT 2277 2274 2278 CONECT 2278 2277 2279 2280 CONECT 2279 2278 CONECT 2280 2278 CONECT 2281 845 867 982 CONECT 2282 845 982 1002 1064 CONECT 2283 1573 1595 1655 1710 CONECT 2284 1573 1710 1730 1792 MASTER 566 0 5 10 0 0 6 6 2313 4 23 18 END
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Related entries of code: 3coq
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3coq
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
wild type Gal4
Ligand Name
20 base-pair DNA duplex
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=24.6nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Structure Vol. 16: pp. 1019-1026
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):
P04386
Entrez Gene ID
NCBI Entrez Gene ID:
855828
ASD
Information of known allosteric effects of PDB entries
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