Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/DNA 19-JUL-11 3SZQ TITLE STRUCTURE OF AN S. POMBE APTX/DNA/AMP/ZN COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: APRATAXIN-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: APTX HIT-ZNF CATALYTIC DOMAIN (UNP RESIDUES 31-232); COMPND 5 SYNONYM: HIT FAMILY PROTEIN 3; COMPND 6 EC: 3.-.-.-; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: 5'-D(*CP*CP*CP*TP*G)-3'; COMPND 10 CHAIN: B; COMPND 11 ENGINEERED: YES; COMPND 12 MOL_ID: 3; COMPND 13 MOLECULE: 5'-D(*TP*AP*TP*CP*GP*GP*AP*AP*TP*CP*AP*GP*GP*G)-3'; COMPND 14 CHAIN: C; COMPND 15 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 284812; SOURCE 5 STRAIN: ATCC 38366 / 972; SOURCE 6 GENE: HNT3, SPCC18.09C; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 MOL_ID: 3; SOURCE 12 SYNTHETIC: YES KEYWDS HISTIDINE TRIAD (HIT), C2HE ZINC FINGER, DNA REPAIR, HYDROLASE-DNA KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR P.TUMBALE,J.KRAHN,R.S.WILLIAMS REVDAT 2 23-NOV-11 3SZQ 1 JRNL REVDAT 1 12-OCT-11 3SZQ 0 JRNL AUTH P.TUMBALE,C.D.APPEL,R.KRAEHENBUEHL,P.D.ROBERTSON, JRNL AUTH 2 J.S.WILLIAMS,J.KRAHN,I.AHEL,R.S.WILLIAMS JRNL TITL STRUCTURE OF AN APRATAXIN-DNA COMPLEX WITH INSIGHTS INTO JRNL TITL 2 AOA1 NEURODEGENERATIVE DISEASE. JRNL REF NAT.STRUCT.MOL.BIOL. V. 18 1189 2011 JRNL REFN ISSN 1545-9993 JRNL PMID 21984210 JRNL DOI 10.1038/NSMB.2146 REMARK 2 REMARK 2 RESOLUTION. 2.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7_650) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.83 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.280 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 14067 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.165 REMARK 3 R VALUE (WORKING SET) : 0.165 REMARK 3 FREE R VALUE : 0.211 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.810 REMARK 3 FREE R VALUE TEST SET COUNT : 1250 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 24.8332 - 4.8838 1.00 2780 135 0.1773 0.2073 REMARK 3 2 4.8838 - 3.8812 1.00 2713 160 0.1308 0.1580 REMARK 3 3 3.8812 - 3.3920 1.00 2732 154 0.1551 0.1869 REMARK 3 4 3.3920 - 3.0825 1.00 2757 119 0.1569 0.2365 REMARK 3 5 3.0825 - 2.8619 1.00 2755 140 0.1727 0.2103 REMARK 3 6 2.8619 - 2.6934 1.00 2768 129 0.1774 0.3004 REMARK 3 7 2.6934 - 2.5586 1.00 2726 135 0.1857 0.2361 REMARK 3 8 2.5586 - 2.4474 1.00 2731 142 0.1933 0.2787 REMARK 3 9 2.4474 - 2.3532 1.00 2780 136 0.2076 0.2698 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.10 REMARK 3 SHRINKAGE RADIUS : 0.83 REMARK 3 K_SOL : 0.34 REMARK 3 B_SOL : 44.41 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.280 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.810 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : -0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.009 2046 REMARK 3 ANGLE : 1.062 2829 REMARK 3 CHIRALITY : 0.065 313 REMARK 3 PLANARITY : 0.004 308 REMARK 3 DIHEDRAL : 17.047 766 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3SZQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-11. REMARK 100 THE RCSB ID CODE IS RCSB066854. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 28-JUL-10 REMARK 200 TEMPERATURE (KELVIN) : 105 REMARK 200 PH : 10.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.2830 REMARK 200 MONOCHROMATOR : SI(111) ROSENBAUM-ROCK DOUBLE- REMARK 200 CRYSTAL MONOCHROMATOR: LN2- REMARK 200 COOLED, SAGITALLY FOCUSING 2ND REMARK 200 CRYSTAL, ROSENBAUM-ROCK VERTICAL REMARK 200 FOCUSING MIRROR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14067 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.350 REMARK 200 RESOLUTION RANGE LOW (A) : 49.663 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 4.700 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 7.700 REMARK 200 R MERGE (I) : 0.10200 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 20.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.35 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.43 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 7.60 REMARK 200 R MERGE FOR SHELL (I) : 0.46200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 4.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM/POTASSIUM TARTRATE, 20% REMARK 280 W/V PEG3350, PH 10.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE REMARK 280 297K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 3 2 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,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z,-X,-Y REMARK 290 7555 -Z,-X,Y REMARK 290 8555 -Z,X,-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z,-X REMARK 290 11555 Y,-Z,-X REMARK 290 12555 -Y,-Z,X REMARK 290 13555 Y,X,-Z REMARK 290 14555 -Y,-X,-Z REMARK 290 15555 Y,-X,Z REMARK 290 16555 -Y,X,Z REMARK 290 17555 X,Z,-Y REMARK 290 18555 -X,Z,Y REMARK 290 19555 -X,-Z,-Y REMARK 290 20555 X,-Z,Y REMARK 290 21555 Z,Y,-X REMARK 290 22555 Z,-Y,X REMARK 290 23555 -Z,Y,X REMARK 290 24555 -Z,-Y,-X REMARK 290 25555 X+1/2,Y+1/2,Z+1/2 REMARK 290 26555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 27555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 28555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 29555 Z+1/2,X+1/2,Y+1/2 REMARK 290 30555 Z+1/2,-X+1/2,-Y+1/2 REMARK 290 31555 -Z+1/2,-X+1/2,Y+1/2 REMARK 290 32555 -Z+1/2,X+1/2,-Y+1/2 REMARK 290 33555 Y+1/2,Z+1/2,X+1/2 REMARK 290 34555 -Y+1/2,Z+1/2,-X+1/2 REMARK 290 35555 Y+1/2,-Z+1/2,-X+1/2 REMARK 290 36555 -Y+1/2,-Z+1/2,X+1/2 REMARK 290 37555 Y+1/2,X+1/2,-Z+1/2 REMARK 290 38555 -Y+1/2,-X+1/2,-Z+1/2 REMARK 290 39555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 40555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 41555 X+1/2,Z+1/2,-Y+1/2 REMARK 290 42555 -X+1/2,Z+1/2,Y+1/2 REMARK 290 43555 -X+1/2,-Z+1/2,-Y+1/2 REMARK 290 44555 X+1/2,-Z+1/2,Y+1/2 REMARK 290 45555 Z+1/2,Y+1/2,-X+1/2 REMARK 290 46555 Z+1/2,-Y+1/2,X+1/2 REMARK 290 47555 -Z+1/2,Y+1/2,X+1/2 REMARK 290 48555 -Z+1/2,-Y+1/2,-X+1/2 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 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 78.52500 REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 78.52500 REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 78.52500 REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 78.52500 REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 78.52500 REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 78.52500 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: HEXAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 157.05000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 261 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 8 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 283 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 27 REMARK 465 SER A 28 REMARK 465 HIS A 29 REMARK 465 MET A 30 REMARK 465 LYS A 31 REMARK 465 MET A 232 REMARK 465 DT C 1 REMARK 465 DA C 2 REMARK 465 DT C 3 REMARK 465 DC C 4 REMARK 465 DG C 5 REMARK 465 DG C 6 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN A 32 CG CD OE1 NE2 REMARK 470 LYS A 49 CD CE NZ REMARK 470 LYS A 213 CD CE NZ REMARK 470 SER A 231 CA C O CB OG 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 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC C 10 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES REMARK 500 DC C 10 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 120 -83.99 -109.52 REMARK 500 SER A 157 137.65 -171.32 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 376 DISTANCE = 5.21 ANGSTROMS REMARK 525 HOH A 386 DISTANCE = 5.93 ANGSTROMS 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 A 4 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 221 OE2 REMARK 620 2 HIS A 217 NE2 105.7 REMARK 620 3 CYS A 200 SG 114.0 112.5 REMARK 620 4 CYS A 203 SG 103.9 105.4 114.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AMP A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 3 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 4 DBREF 3SZQ A 31 232 UNP O74859 APTX_SCHPO 31 232 DBREF 3SZQ B 1 5 PDB 3SZQ 3SZQ 1 5 DBREF 3SZQ C 1 14 PDB 3SZQ 3SZQ 1 14 SEQADV 3SZQ GLY A 27 UNP O74859 EXPRESSION TAG SEQADV 3SZQ SER A 28 UNP O74859 EXPRESSION TAG SEQADV 3SZQ HIS A 29 UNP O74859 EXPRESSION TAG SEQADV 3SZQ MET A 30 UNP O74859 EXPRESSION TAG SEQRES 1 A 206 GLY SER HIS MET LYS GLN SER PHE ARG ASP ASN LEU LYS SEQRES 2 A 206 VAL TYR ILE GLU SER PRO GLU SER TYR LYS ASN VAL ILE SEQRES 3 A 206 TYR TYR ASP ASP ASP VAL VAL LEU VAL ARG ASP MET PHE SEQRES 4 A 206 PRO LYS SER LYS MET HIS LEU LEU LEU MET THR ARG ASP SEQRES 5 A 206 PRO HIS LEU THR HIS VAL HIS PRO LEU GLU ILE MET MET SEQRES 6 A 206 LYS HIS ARG SER LEU VAL GLU LYS LEU VAL SER TYR VAL SEQRES 7 A 206 GLN GLY ASP LEU SER GLY LEU ILE PHE ASP GLU ALA ARG SEQRES 8 A 206 ASN CYS LEU SER GLN GLN LEU THR ASN GLU ALA LEU CYS SEQRES 9 A 206 ASN TYR ILE LYS VAL GLY PHE HIS ALA GLY PRO SER MET SEQRES 10 A 206 ASN ASN LEU HIS LEU HIS ILE MET THR LEU ASP HIS VAL SEQRES 11 A 206 SER PRO SER LEU LYS ASN SER ALA HIS TYR ILE SER PHE SEQRES 12 A 206 THR SER PRO PHE PHE VAL LYS ILE ASP THR PRO THR SER SEQRES 13 A 206 ASN LEU PRO THR ARG GLY THR LEU THR SER LEU PHE GLN SEQRES 14 A 206 GLU ASP LEU LYS CYS TRP ARG CYS GLY GLU THR PHE GLY SEQRES 15 A 206 ARG HIS PHE THR LYS LEU LYS ALA HIS LEU GLN GLU GLU SEQRES 16 A 206 TYR ASP ASP TRP LEU ASP LYS SER VAL SER MET SEQRES 1 B 5 DC DC DC DT DG SEQRES 1 C 14 DT DA DT DC DG DG DA DA DT DC DA DG DG SEQRES 2 C 14 DG HET AMP A 1 23 HET BME A 2 4 HET BME A 3 4 HET ZN A 4 1 HETNAM AMP ADENOSINE MONOPHOSPHATE HETNAM BME BETA-MERCAPTOETHANOL HETNAM ZN ZINC ION FORMUL 4 AMP C10 H14 N5 O7 P FORMUL 5 BME 2(C2 H6 O S) FORMUL 7 ZN ZN 2+ FORMUL 8 HOH *211(H2 O) HELIX 1 1 SER A 33 ASN A 37 5 5 HELIX 2 2 LEU A 38 SER A 44 1 7 HELIX 3 3 PRO A 45 TYR A 48 5 4 HELIX 4 4 HIS A 80 VAL A 84 5 5 HELIX 5 5 HIS A 85 HIS A 93 1 9 HELIX 6 6 HIS A 93 GLY A 106 1 14 HELIX 7 7 LEU A 108 LEU A 120 1 13 HELIX 8 8 THR A 125 ASN A 131 1 7 HELIX 9 9 ASN A 162 SER A 171 1 10 HELIX 10 10 PRO A 180 LEU A 184 5 5 HELIX 11 11 THR A 186 THR A 191 1 6 HELIX 12 12 SER A 192 GLU A 196 5 5 HELIX 13 13 HIS A 210 VAL A 230 1 21 SHEET 1 A 6 VAL A 51 TYR A 54 0 SHEET 2 A 6 VAL A 58 ARG A 62 -1 O LEU A 60 N TYR A 53 SHEET 3 A 6 HIS A 71 THR A 76 -1 O LEU A 73 N VAL A 61 SHEET 4 A 6 HIS A 147 THR A 152 -1 O ILE A 150 N LEU A 72 SHEET 5 A 6 ILE A 133 HIS A 138 -1 N LYS A 134 O MET A 151 SHEET 6 A 6 PHE A 174 LYS A 176 -1 O VAL A 175 N PHE A 137 LINK OE2 GLU A 221 ZN ZN A 4 1555 1555 2.03 LINK NE2 HIS A 217 ZN ZN A 4 1555 1555 2.16 LINK SG CYS A 200 ZN ZN A 4 1555 1555 2.26 LINK SG CYS A 203 ZN ZN A 4 1555 1555 2.56 SITE 1 AC1 17 HOH A 19 LEU A 38 TYR A 41 ASP A 63 SITE 2 AC1 17 MET A 64 PHE A 65 LYS A 67 HIS A 71 SITE 3 AC1 17 HIS A 138 PRO A 141 SER A 142 MET A 143 SITE 4 AC1 17 HIS A 147 HIS A 149 HOH A 246 HOH A 316 SITE 5 AC1 17 DC B 1 SITE 1 AC2 4 LYS A 134 VAL A 135 LYS A 176 ASP A 178 SITE 1 AC3 3 SER A 142 HOH A 316 DC B 1 SITE 1 AC4 4 CYS A 200 CYS A 203 HIS A 217 GLU A 221 CRYST1 157.050 157.050 157.050 90.00 90.00 90.00 I 4 3 2 48 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 0.006367 0.000000 0.000000 0.00000 SCALE2 0.000000 0.006367 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006367 0.00000 ATOM 1 N GLN A 32 27.109 100.381 22.844 1.00 47.78 N ATOM 2 CA GLN A 32 26.969 99.020 23.360 1.00 54.32 C ATOM 3 C GLN A 32 27.150 97.989 22.249 1.00 57.03 C ATOM 4 O GLN A 32 28.016 97.115 22.341 1.00 66.18 O ATOM 5 CB GLN A 32 25.613 98.827 24.053 1.00 41.39 C ATOM 6 N SER A 33 26.338 98.101 21.199 1.00 35.80 N ATOM 7 CA SER A 33 26.434 97.196 20.060 1.00 33.23 C ATOM 8 C SER A 33 27.106 97.825 18.837 1.00 33.13 C ATOM 9 O SER A 33 27.471 99.004 18.834 1.00 29.55 O ATOM 10 CB SER A 33 25.043 96.677 19.671 1.00 37.39 C ATOM 11 OG SER A 33 24.235 97.708 19.133 1.00 29.57 O ATOM 12 N PHE A 34 27.245 97.026 17.786 1.00 28.12 N ATOM 13 CA PHE A 34 27.762 97.508 16.515 1.00 25.08 C ATOM 14 C PHE A 34 26.934 98.687 15.958 1.00 30.30 C ATOM 15 O PHE A 34 27.437 99.487 15.170 1.00 26.34 O ATOM 16 CB PHE A 34 27.769 96.361 15.506 1.00 26.95 C ATOM 17 CG PHE A 34 26.390 95.936 15.061 1.00 28.53 C ATOM 18 CD1 PHE A 34 25.798 96.514 13.942 1.00 34.65 C ATOM 19 CD2 PHE A 34 25.685 94.968 15.761 1.00 26.61 C ATOM 20 CE1 PHE A 34 24.524 96.130 13.523 1.00 35.93 C ATOM 21 CE2 PHE A 34 24.415 94.574 15.356 1.00 28.37 C ATOM 22 CZ PHE A 34 23.828 95.157 14.235 1.00 36.44 C ATOM 23 N AARG A 35 25.674 98.785 16.372 0.50 24.97 N ATOM 24 N BARG A 35 25.680 98.780 16.392 0.50 24.85 N ATOM 25 CA AARG A 35 24.770 99.801 15.841 0.50 25.41 C ATOM 26 CA BARG A 35 24.746 99.784 15.897 0.50 25.27 C ATOM 27 C AARG A 35 25.132 101.214 16.293 0.50 27.63 C ATOM 28 C BARG A 35 25.170 101.201 16.261 0.50 27.51 C ATOM 29 O AARG A 35 24.607 102.198 15.763 0.50 24.86 O ATOM 30 O BARG A 35 24.725 102.173 15.644 0.50 24.86 O ATOM 31 CB AARG A 35 23.313 99.476 16.190 0.50 28.02 C ATOM 32 CB BARG A 35 23.346 99.508 16.448 0.50 27.92 C ATOM 33 CG AARG A 35 22.756 98.279 15.424 0.50 28.55 C ATOM 34 CG BARG A 35 22.854 98.096 16.174 0.50 29.21 C ATOM 35 CD AARG A 35 21.323 97.956 15.812 0.50 29.97 C ATOM 36 CD BARG A 35 21.616 97.757 16.985 0.50 30.90 C ATOM 37 NE AARG A 35 21.165 96.523 16.046 0.50 33.79 N ATOM 38 NE BARG A 35 21.255 96.350 16.833 0.50 34.41 N ATOM 39 CZ AARG A 35 21.388 95.932 17.217 0.50 34.01 C ATOM 40 CZ BARG A 35 20.580 95.857 15.800 0.50 29.61 C ATOM 41 NH1AARG A 35 21.761 96.658 18.268 0.50 30.75 N ATOM 42 NH1BARG A 35 20.182 96.657 14.819 0.50 30.26 N ATOM 43 NH2AARG A 35 21.234 94.619 17.338 0.50 27.59 N ATOM 44 NH2BARG A 35 20.306 94.563 15.748 0.50 28.15 N ATOM 45 N ASP A 36 26.031 101.311 17.267 1.00 21.70 N ATOM 46 CA ASP A 36 26.498 102.605 17.738 1.00 25.91 C ATOM 47 C ASP A 36 27.882 102.941 17.173 1.00 20.24 C ATOM 48 O ASP A 36 28.485 103.936 17.540 1.00 26.86 O ATOM 49 CB ASP A 36 26.507 102.638 19.274 1.00 27.88 C ATOM 50 CG ASP A 36 25.126 102.390 19.873 1.00 31.92 C ATOM 51 OD1 ASP A 36 24.145 103.044 19.451 1.00 34.93 O ATOM 52 OD2 ASP A 36 25.016 101.526 20.767 1.00 43.59 O ATOM 53 N ASN A 37 28.369 102.110 16.263 1.00 22.13 N ATOM 54 CA ASN A 37 29.692 102.288 15.670 1.00 19.14 C ATOM 55 C ASN A 37 30.000 103.650 15.040 1.00 23.23 C ATOM 56 O ASN A 37 31.156 104.058 15.023 1.00 30.30 O ATOM 57 CB ASN A 37 29.974 101.174 14.659 1.00 20.57 C ATOM 58 CG ASN A 37 30.454 99.892 15.323 1.00 26.96 C ATOM 59 OD1 ASN A 37 30.562 99.821 16.540 1.00 25.72 O ATOM 60 ND2 ASN A 37 30.741 98.877 14.523 1.00 27.23 N ATOM 61 N LEU A 38 28.992 104.344 14.511 1.00 22.98 N ATOM 62 CA LEU A 38 29.228 105.639 13.854 1.00 24.06 C ATOM 63 C LEU A 38 29.377 106.772 14.872 1.00 25.85 C ATOM 64 O LEU A 38 29.798 107.881 14.538 1.00 21.58 O ATOM 65 CB LEU A 38 28.106 105.979 12.868 1.00 16.74 C ATOM 66 CG LEU A 38 27.881 105.035 11.684 1.00 17.78 C ATOM 67 CD1 LEU A 38 26.876 105.652 10.688 1.00 12.41 C ATOM 68 CD2 LEU A 38 29.209 104.699 10.998 1.00 14.68 C ATOM 69 N LYS A 39 29.024 106.473 16.117 1.00 20.44 N ATOM 70 CA LYS A 39 29.006 107.456 17.186 1.00 21.82 C ATOM 71 C LYS A 39 30.345 108.185 17.389 1.00 22.90 C ATOM 72 O LYS A 39 30.375 109.385 17.656 1.00 21.57 O ATOM 73 CB LYS A 39 28.587 106.768 18.483 1.00 23.38 C ATOM 74 CG LYS A 39 28.530 107.675 19.679 1.00 36.00 C ATOM 75 CD LYS A 39 28.131 106.893 20.922 1.00 40.90 C ATOM 76 CE LYS A 39 28.222 107.765 22.167 1.00 60.19 C ATOM 77 NZ LYS A 39 27.568 109.096 21.975 1.00 55.11 N ATOM 78 N VAL A 40 31.449 107.460 17.288 1.00 19.96 N ATOM 79 CA VAL A 40 32.743 108.067 17.555 1.00 21.03 C ATOM 80 C VAL A 40 33.051 109.226 16.603 1.00 25.11 C ATOM 81 O VAL A 40 33.820 110.129 16.942 1.00 23.67 O ATOM 82 CB VAL A 40 33.872 107.036 17.514 1.00 23.16 C ATOM 83 CG1 VAL A 40 33.639 105.989 18.576 1.00 22.45 C ATOM 84 CG2 VAL A 40 33.985 106.397 16.118 1.00 21.65 C ATOM 85 N TYR A 41 32.442 109.211 15.420 1.00 20.50 N ATOM 86 CA TYR A 41 32.705 110.257 14.437 1.00 22.54 C ATOM 87 C TYR A 41 32.107 111.593 14.852 1.00 21.27 C ATOM 88 O TYR A 41 32.663 112.638 14.545 1.00 21.97 O ATOM 89 CB TYR A 41 32.195 109.851 13.055 1.00 20.05 C ATOM 90 CG TYR A 41 32.870 108.613 12.537 1.00 19.22 C ATOM 91 CD1 TYR A 41 34.261 108.499 12.549 1.00 16.20 C ATOM 92 CD2 TYR A 41 32.122 107.536 12.074 1.00 18.67 C ATOM 93 CE1 TYR A 41 34.885 107.357 12.093 1.00 16.78 C ATOM 94 CE2 TYR A 41 32.739 106.387 11.625 1.00 22.27 C ATOM 95 CZ TYR A 41 34.120 106.302 11.634 1.00 17.65 C ATOM 96 OH TYR A 41 34.721 105.161 11.171 1.00 18.34 O ATOM 97 N ILE A 42 30.980 111.562 15.555 1.00 18.47 N ATOM 98 CA ILE A 42 30.349 112.804 15.984 1.00 21.07 C ATOM 99 C ILE A 42 30.766 113.212 17.393 1.00 20.00 C ATOM 100 O ILE A 42 30.592 114.366 17.786 1.00 22.33 O ATOM 101 CB ILE A 42 28.800 112.770 15.867 1.00 21.31 C ATOM 102 CG1 ILE A 42 28.199 111.662 16.741 1.00 25.57 C ATOM 103 CG2 ILE A 42 28.368 112.613 14.414 1.00 18.91 C ATOM 104 CD1 ILE A 42 26.679 111.718 16.821 1.00 20.69 C ATOM 105 N GLU A 43 31.313 112.269 18.151 1.00 21.85 N ATOM 106 CA GLU A 43 31.827 112.571 19.489 1.00 25.93 C ATOM 107 C GLU A 43 33.232 113.145 19.379 1.00 22.56 C ATOM 108 O GLU A 43 33.573 114.141 20.015 1.00 26.04 O ATOM 109 CB GLU A 43 31.919 111.303 20.342 1.00 26.93 C ATOM 110 CG GLU A 43 30.693 110.937 21.152 1.00 40.85 C ATOM 111 CD GLU A 43 30.950 109.711 22.037 1.00 64.77 C ATOM 112 OE1 GLU A 43 31.583 108.735 21.553 1.00 50.33 O ATOM 113 OE2 GLU A 43 30.541 109.730 23.220 1.00 67.67 O ATOM 114 N SER A 44 34.044 112.488 18.563 1.00 20.50 N ATOM 115 CA SER A 44 35.459 112.780 18.490 1.00 22.60 C ATOM 116 C SER A 44 35.965 112.768 17.039 1.00 21.30 C ATOM 117 O SER A 44 36.831 111.968 16.675 1.00 20.19 O ATOM 118 CB SER A 44 36.218 111.768 19.352 1.00 26.15 C ATOM 119 OG SER A 44 37.553 112.195 19.574 1.00 40.98 O ATOM 120 N PRO A 45 35.413 113.654 16.195 1.00 21.17 N ATOM 121 CA PRO A 45 35.869 113.737 14.805 1.00 15.66 C ATOM 122 C PRO A 45 37.370 114.071 14.705 1.00 22.55 C ATOM 123 O PRO A 45 38.017 113.750 13.698 1.00 19.00 O ATOM 124 CB PRO A 45 35.032 114.883 14.232 1.00 17.35 C ATOM 125 CG PRO A 45 34.611 115.700 15.430 1.00 21.58 C ATOM 126 CD PRO A 45 34.360 114.641 16.484 1.00 19.89 C ATOM 127 N GLU A 46 37.919 114.698 15.742 1.00 20.82 N ATOM 128 CA GLU A 46 39.327 115.094 15.729 1.00 22.49 C ATOM 129 C GLU A 46 40.260 113.888 15.785 1.00 21.80 C ATOM 130 O GLU A 46 41.471 114.016 15.609 1.00 23.73 O ATOM 131 CB GLU A 46 39.635 116.056 16.879 1.00 25.15 C ATOM 132 CG GLU A 46 39.448 115.447 18.252 1.00 28.88 C ATOM 133 CD GLU A 46 38.028 115.613 18.788 1.00 43.23 C ATOM 134 OE1 GLU A 46 37.118 115.980 18.002 1.00 30.24 O ATOM 135 OE2 GLU A 46 37.828 115.382 20.006 1.00 47.95 O ATOM 136 N SER A 47 39.690 112.710 16.001 1.00 21.35 N ATOM 137 CA SER A 47 40.493 111.504 16.149 1.00 19.32 C ATOM 138 C SER A 47 40.584 110.656 14.886 1.00 22.60 C ATOM 139 O SER A 47 41.294 109.652 14.874 1.00 22.03 O ATOM 140 CB SER A 47 39.946 110.652 17.300 1.00 23.01 C ATOM 141 OG SER A 47 39.908 111.407 18.502 1.00 26.09 O ATOM 142 N TYR A 48 39.876 111.049 13.826 1.00 22.85 N ATOM 143 CA TYR A 48 39.771 110.192 12.642 1.00 19.93 C ATOM 144 C TYR A 48 40.125 110.874 11.330 1.00 19.11 C ATOM 145 O TYR A 48 39.452 111.811 10.901 1.00 23.08 O ATOM 146 CB TYR A 48 38.374 109.591 12.564 1.00 21.36 C ATOM 147 CG TYR A 48 38.021 108.806 13.798 1.00 19.95 C ATOM 148 CD1 TYR A 48 38.369 107.462 13.913 1.00 22.37 C ATOM 149 CD2 TYR A 48 37.356 109.406 14.855 1.00 19.56 C ATOM 150 CE1 TYR A 48 38.056 106.741 15.047 1.00 17.59 C ATOM 151 CE2 TYR A 48 37.040 108.696 15.987 1.00 22.46 C ATOM 152 CZ TYR A 48 37.391 107.364 16.081 1.00 25.01 C ATOM 153 OH TYR A 48 37.072 106.657 17.220 1.00 31.75 O ATOM 154 N LYS A 49 41.178 110.385 10.685 1.00 20.73 N ATOM 155 CA LYS A 49 41.647 110.987 9.440 1.00 25.03 C ATOM 156 C LYS A 49 40.617 110.879 8.318 1.00 20.95 C ATOM 157 O LYS A 49 40.629 111.684 7.392 1.00 25.64 O ATOM 158 CB LYS A 49 42.995 110.390 8.997 1.00 24.43 C ATOM 159 CG LYS A 49 42.921 108.928 8.570 1.00 35.52 C ATOM 160 N ASN A 50 39.724 109.896 8.400 1.00 20.00 N ATOM 161 CA ASN A 50 38.676 109.762 7.385 1.00 18.58 C ATOM 162 C ASN A 50 37.462 110.668 7.609 1.00 17.01 C ATOM 163 O ASN A 50 36.525 110.675 6.818 1.00 17.44 O ATOM 164 CB ASN A 50 38.284 108.298 7.173 1.00 16.98 C ATOM 165 CG ASN A 50 39.369 107.522 6.451 1.00 27.15 C ATOM 166 OD1 ASN A 50 39.879 107.962 5.415 1.00 22.79 O ATOM 167 ND2 ASN A 50 39.754 106.383 7.008 1.00 24.76 N ATOM 168 N VAL A 51 37.499 111.441 8.685 1.00 14.24 N ATOM 169 CA VAL A 51 36.592 112.561 8.827 1.00 15.00 C ATOM 170 C VAL A 51 37.159 113.741 8.029 1.00 18.10 C ATOM 171 O VAL A 51 38.084 114.429 8.467 1.00 17.51 O ATOM 172 CB VAL A 51 36.391 112.950 10.299 1.00 12.97 C ATOM 173 CG1 VAL A 51 35.592 114.243 10.397 1.00 13.17 C ATOM 174 CG2 VAL A 51 35.688 111.813 11.063 1.00 14.50 C ATOM 175 N ILE A 52 36.614 113.957 6.841 1.00 15.28 N ATOM 176 CA ILE A 52 37.153 114.964 5.931 1.00 13.07 C ATOM 177 C ILE A 52 36.562 116.377 6.145 1.00 17.77 C ATOM 178 O ILE A 52 36.998 117.343 5.512 1.00 17.00 O ATOM 179 CB ILE A 52 37.035 114.501 4.471 1.00 14.67 C ATOM 180 CG1 ILE A 52 35.579 114.220 4.092 1.00 12.39 C ATOM 181 CG2 ILE A 52 37.876 113.240 4.254 1.00 14.83 C ATOM 182 CD1 ILE A 52 35.403 113.854 2.602 1.00 10.12 C ATOM 183 N TYR A 53 35.589 116.482 7.052 1.00 11.85 N ATOM 184 CA TYR A 53 35.057 117.765 7.505 1.00 11.60 C ATOM 185 C TYR A 53 34.371 117.632 8.861 1.00 14.38 C ATOM 186 O TYR A 53 33.621 116.679 9.104 1.00 15.91 O ATOM 187 CB TYR A 53 34.026 118.336 6.518 1.00 10.03 C ATOM 188 CG TYR A 53 33.448 119.657 6.968 1.00 14.16 C ATOM 189 CD1 TYR A 53 34.040 120.862 6.579 1.00 16.80 C ATOM 190 CD2 TYR A 53 32.335 119.714 7.804 1.00 12.05 C ATOM 191 CE1 TYR A 53 33.534 122.080 6.995 1.00 14.62 C ATOM 192 CE2 TYR A 53 31.817 120.933 8.224 1.00 16.23 C ATOM 193 CZ TYR A 53 32.422 122.118 7.811 1.00 20.35 C ATOM 194 OH TYR A 53 31.921 123.343 8.206 1.00 16.19 O ATOM 195 N TYR A 54 34.590 118.606 9.733 1.00 15.56 N ATOM 196 CA TYR A 54 33.743 118.734 10.913 1.00 14.02 C ATOM 197 C TYR A 54 33.637 120.169 11.394 1.00 15.94 C ATOM 198 O TYR A 54 34.551 120.976 11.188 1.00 17.16 O ATOM 199 CB TYR A 54 34.181 117.792 12.048 1.00 10.99 C ATOM 200 CG TYR A 54 35.535 118.063 12.679 1.00 14.36 C ATOM 201 CD1 TYR A 54 36.689 117.469 12.178 1.00 14.96 C ATOM 202 CD2 TYR A 54 35.655 118.884 13.799 1.00 15.91 C ATOM 203 CE1 TYR A 54 37.927 117.696 12.763 1.00 16.72 C ATOM 204 CE2 TYR A 54 36.892 119.119 14.395 1.00 11.70 C ATOM 205 CZ TYR A 54 38.021 118.523 13.873 1.00 17.99 C ATOM 206 OH TYR A 54 39.253 118.747 14.457 1.00 18.56 O ATOM 207 N ASP A 55 32.497 120.479 12.002 1.00 11.79 N ATOM 208 CA ASP A 55 32.317 121.686 12.802 1.00 15.06 C ATOM 209 C ASP A 55 31.394 121.336 13.977 1.00 18.17 C ATOM 210 O ASP A 55 31.217 120.159 14.286 1.00 20.91 O ATOM 211 CB ASP A 55 31.790 122.870 11.970 1.00 14.93 C ATOM 212 CG ASP A 55 30.463 122.582 11.300 1.00 21.45 C ATOM 213 OD1 ASP A 55 29.712 121.713 11.794 1.00 22.24 O ATOM 214 OD2 ASP A 55 30.162 123.239 10.278 1.00 21.74 O ATOM 215 N ASP A 56 30.802 122.328 14.629 1.00 16.92 N ATOM 216 CA ASP A 56 29.956 122.043 15.792 1.00 23.81 C ATOM 217 C ASP A 56 28.690 121.249 15.448 1.00 22.04 C ATOM 218 O ASP A 56 28.150 120.542 16.292 1.00 23.37 O ATOM 219 CB ASP A 56 29.556 123.333 16.519 1.00 22.65 C ATOM 220 CG ASP A 56 30.747 124.077 17.102 1.00 32.73 C ATOM 221 OD1 ASP A 56 31.852 123.493 17.184 1.00 35.33 O ATOM 222 OD2 ASP A 56 30.571 125.252 17.483 1.00 33.67 O ATOM 223 N ASP A 57 28.229 121.377 14.211 1.00 18.15 N ATOM 224 CA ASP A 57 26.936 120.840 13.799 1.00 20.78 C ATOM 225 C ASP A 57 26.980 119.519 13.031 1.00 16.97 C ATOM 226 O ASP A 57 26.086 118.699 13.191 1.00 20.74 O ATOM 227 CB ASP A 57 26.164 121.872 12.964 1.00 20.39 C ATOM 228 CG ASP A 57 25.872 123.144 13.736 1.00 31.22 C ATOM 229 OD1 ASP A 57 25.931 123.117 14.985 1.00 36.41 O ATOM 230 OD2 ASP A 57 25.578 124.173 13.093 1.00 40.04 O ATOM 231 N VAL A 58 27.987 119.327 12.182 1.00 14.12 N ATOM 232 CA VAL A 58 28.022 118.150 11.304 1.00 16.53 C ATOM 233 C VAL A 58 29.409 117.566 11.115 1.00 15.25 C ATOM 234 O VAL A 58 30.421 118.202 11.398 1.00 18.61 O ATOM 235 CB VAL A 58 27.503 118.457 9.875 1.00 15.48 C ATOM 236 CG1 VAL A 58 26.110 119.035 9.913 1.00 11.96 C ATOM 237 CG2 VAL A 58 28.476 119.392 9.133 1.00 12.34 C ATOM 238 N VAL A 59 29.426 116.351 10.588 1.00 13.75 N ATOM 239 CA VAL A 59 30.642 115.614 10.314 1.00 12.50 C ATOM 240 C VAL A 59 30.475 114.904 8.965 1.00 13.99 C ATOM 241 O VAL A 59 29.462 114.246 8.723 1.00 12.26 O ATOM 242 CB VAL A 59 30.895 114.587 11.456 1.00 14.37 C ATOM 243 CG1 VAL A 59 31.871 113.519 11.050 1.00 14.55 C ATOM 244 CG2 VAL A 59 31.356 115.305 12.706 1.00 17.18 C ATOM 245 N LEU A 60 31.455 115.066 8.079 1.00 15.76 N ATOM 246 CA LEU A 60 31.497 114.326 6.814 1.00 10.51 C ATOM 247 C LEU A 60 32.602 113.292 6.918 1.00 15.16 C ATOM 248 O LEU A 60 33.764 113.644 7.097 1.00 15.91 O ATOM 249 CB LEU A 60 31.787 115.269 5.649 1.00 12.15 C ATOM 250 CG LEU A 60 31.640 114.665 4.252 1.00 11.57 C ATOM 251 CD1 LEU A 60 30.214 114.187 4.013 1.00 10.42 C ATOM 252 CD2 LEU A 60 32.073 115.665 3.193 1.00 10.49 C ATOM 253 N VAL A 61 32.242 112.018 6.836 1.00 12.92 N ATOM 254 CA VAL A 61 33.208 110.958 7.035 1.00 11.83 C ATOM 255 C VAL A 61 33.094 109.952 5.893 1.00 18.12 C ATOM 256 O VAL A 61 32.001 109.726 5.370 1.00 18.98 O ATOM 257 CB VAL A 61 33.010 110.259 8.407 1.00 15.46 C ATOM 258 CG1 VAL A 61 31.584 109.757 8.561 1.00 12.51 C ATOM 259 CG2 VAL A 61 34.011 109.114 8.590 1.00 15.34 C ATOM 260 N ARG A 62 34.222 109.379 5.485 1.00 13.17 N ATOM 261 CA ARG A 62 34.218 108.304 4.490 1.00 17.39 C ATOM 262 C ARG A 62 33.508 107.059 5.013 1.00 18.05 C ATOM 263 O ARG A 62 33.685 106.680 6.168 1.00 20.97 O ATOM 264 CB ARG A 62 35.648 107.916 4.115 1.00 14.93 C ATOM 265 CG ARG A 62 36.449 109.036 3.482 1.00 23.52 C ATOM 266 CD ARG A 62 37.669 108.499 2.748 1.00 20.35 C ATOM 267 NE ARG A 62 38.280 109.546 1.948 1.00 23.49 N ATOM 268 CZ ARG A 62 39.298 110.299 2.353 1.00 23.88 C ATOM 269 NH1 ARG A 62 39.832 110.109 3.550 1.00 19.38 N ATOM 270 NH2 ARG A 62 39.788 111.239 1.553 1.00 21.72 N ATOM 271 N ASP A 63 32.716 106.419 4.159 1.00 18.57 N ATOM 272 CA ASP A 63 32.094 105.144 4.501 1.00 15.72 C ATOM 273 C ASP A 63 33.174 104.067 4.528 1.00 20.15 C ATOM 274 O ASP A 63 33.932 103.907 3.567 1.00 19.45 O ATOM 275 CB ASP A 63 31.018 104.760 3.476 1.00 15.98 C ATOM 276 CG ASP A 63 30.069 103.689 3.997 1.00 23.87 C ATOM 277 OD1 ASP A 63 30.486 102.511 4.131 1.00 21.78 O ATOM 278 OD2 ASP A 63 28.900 104.032 4.279 1.00 21.79 O ATOM 279 N MET A 64 33.240 103.325 5.626 1.00 23.70 N ATOM 280 CA MET A 64 34.297 102.335 5.804 1.00 23.40 C ATOM 281 C MET A 64 34.137 101.156 4.845 1.00 24.14 C ATOM 282 O MET A 64 35.098 100.441 4.557 1.00 23.50 O ATOM 283 CB MET A 64 34.340 101.862 7.252 1.00 17.17 C ATOM 284 CG MET A 64 35.330 100.744 7.502 1.00 30.70 C ATOM 285 SD MET A 64 35.387 100.324 9.250 1.00 34.13 S ATOM 286 CE MET A 64 35.992 101.886 9.910 1.00 32.50 C ATOM 287 N PHE A 65 32.919 100.972 4.343 1.00 19.92 N ATOM 288 CA PHE A 65 32.616 99.892 3.412 1.00 15.15 C ATOM 289 C PHE A 65 31.883 100.444 2.187 1.00 17.67 C ATOM 290 O PHE A 65 30.736 100.088 1.935 1.00 16.58 O ATOM 291 CB PHE A 65 31.762 98.825 4.100 1.00 16.03 C ATOM 292 CG PHE A 65 32.359 98.294 5.374 1.00 20.11 C ATOM 293 CD1 PHE A 65 33.297 97.279 5.343 1.00 19.28 C ATOM 294 CD2 PHE A 65 31.987 98.820 6.602 1.00 21.66 C ATOM 295 CE1 PHE A 65 33.851 96.796 6.513 1.00 24.46 C ATOM 296 CE2 PHE A 65 32.534 98.341 7.780 1.00 24.28 C ATOM 297 CZ PHE A 65 33.467 97.324 7.734 1.00 23.80 C ATOM 298 N PRO A 66 32.560 101.305 1.413 1.00 17.39 N ATOM 299 CA PRO A 66 31.922 102.085 0.345 1.00 14.87 C ATOM 300 C PRO A 66 31.154 101.210 -0.638 1.00 18.23 C ATOM 301 O PRO A 66 31.663 100.192 -1.097 1.00 19.61 O ATOM 302 CB PRO A 66 33.108 102.776 -0.349 1.00 15.81 C ATOM 303 CG PRO A 66 34.323 101.949 0.026 1.00 13.85 C ATOM 304 CD PRO A 66 34.028 101.450 1.410 1.00 17.90 C ATOM 305 N LYS A 67 29.927 101.597 -0.958 1.00 16.32 N ATOM 306 CA LYS A 67 29.134 100.801 -1.885 1.00 16.60 C ATOM 307 C LYS A 67 29.192 101.364 -3.307 1.00 19.30 C ATOM 308 O LYS A 67 28.576 100.826 -4.228 1.00 16.73 O ATOM 309 CB LYS A 67 27.703 100.651 -1.379 1.00 15.10 C ATOM 310 CG LYS A 67 27.614 100.008 0.018 1.00 20.61 C ATOM 311 CD LYS A 67 28.341 98.663 0.066 1.00 23.52 C ATOM 312 CE LYS A 67 28.042 97.882 1.346 1.00 21.88 C ATOM 313 NZ LYS A 67 28.364 98.646 2.595 1.00 19.76 N ATOM 314 N SER A 68 29.952 102.446 -3.465 1.00 17.08 N ATOM 315 CA SER A 68 30.291 103.012 -4.766 1.00 16.63 C ATOM 316 C SER A 68 31.718 103.524 -4.689 1.00 21.19 C ATOM 317 O SER A 68 32.299 103.602 -3.602 1.00 23.05 O ATOM 318 CB SER A 68 29.361 104.167 -5.152 1.00 17.66 C ATOM 319 OG SER A 68 28.128 103.696 -5.654 1.00 19.00 O ATOM 320 N LYS A 69 32.280 103.882 -5.836 1.00 15.54 N ATOM 321 CA LYS A 69 33.648 104.352 -5.878 1.00 17.36 C ATOM 322 C LYS A 69 33.867 105.504 -4.888 1.00 17.68 C ATOM 323 O LYS A 69 34.906 105.584 -4.236 1.00 18.55 O ATOM 324 CB LYS A 69 34.043 104.722 -7.316 1.00 25.58 C ATOM 325 CG LYS A 69 34.310 103.499 -8.198 1.00 19.09 C ATOM 326 CD LYS A 69 34.839 103.880 -9.561 1.00 26.96 C ATOM 327 CE LYS A 69 35.387 102.674 -10.319 1.00 32.07 C ATOM 328 NZ LYS A 69 36.646 102.112 -9.733 1.00 34.31 N ATOM 329 N MET A 70 32.883 106.390 -4.773 1.00 17.56 N ATOM 330 CA MET A 70 32.875 107.375 -3.691 1.00 18.92 C ATOM 331 C MET A 70 31.629 107.166 -2.840 1.00 15.35 C ATOM 332 O MET A 70 30.511 107.054 -3.367 1.00 13.88 O ATOM 333 CB MET A 70 32.915 108.816 -4.215 1.00 12.12 C ATOM 334 CG MET A 70 32.818 109.858 -3.092 1.00 19.09 C ATOM 335 SD MET A 70 32.383 111.555 -3.593 1.00 22.60 S ATOM 336 CE MET A 70 30.597 111.413 -3.722 1.00 15.87 C ATOM 337 N HIS A 71 31.831 107.106 -1.528 1.00 14.43 N ATOM 338 CA HIS A 71 30.741 106.881 -0.589 1.00 14.00 C ATOM 339 C HIS A 71 31.061 107.566 0.733 1.00 18.19 C ATOM 340 O HIS A 71 31.972 107.150 1.463 1.00 17.88 O ATOM 341 CB HIS A 71 30.498 105.372 -0.395 1.00 16.12 C ATOM 342 CG HIS A 71 29.227 105.043 0.330 1.00 16.60 C ATOM 343 ND1 HIS A 71 28.771 103.749 0.484 1.00 17.10 N ATOM 344 CD2 HIS A 71 28.324 105.836 0.955 1.00 12.61 C ATOM 345 CE1 HIS A 71 27.637 103.762 1.164 1.00 16.52 C ATOM 346 NE2 HIS A 71 27.343 105.016 1.460 1.00 15.23 N ATOM 347 N LEU A 72 30.316 108.630 1.023 1.00 12.97 N ATOM 348 CA LEU A 72 30.544 109.448 2.207 1.00 15.41 C ATOM 349 C LEU A 72 29.292 109.452 3.070 1.00 15.43 C ATOM 350 O LEU A 72 28.196 109.170 2.579 1.00 17.79 O ATOM 351 CB LEU A 72 30.871 110.895 1.796 1.00 10.00 C ATOM 352 CG LEU A 72 32.004 111.092 0.791 1.00 15.45 C ATOM 353 CD1 LEU A 72 32.063 112.546 0.276 1.00 10.75 C ATOM 354 CD2 LEU A 72 33.326 110.684 1.409 1.00 16.17 C ATOM 355 N LEU A 73 29.445 109.805 4.343 1.00 12.82 N ATOM 356 CA LEU A 73 28.303 109.920 5.244 1.00 14.02 C ATOM 357 C LEU A 73 28.315 111.297 5.882 1.00 16.33 C ATOM 358 O LEU A 73 29.328 111.700 6.446 1.00 17.78 O ATOM 359 CB LEU A 73 28.353 108.842 6.353 1.00 14.60 C ATOM 360 CG LEU A 73 28.528 107.378 5.928 1.00 17.77 C ATOM 361 CD1 LEU A 73 28.713 106.467 7.138 1.00 16.54 C ATOM 362 CD2 LEU A 73 27.364 106.893 5.049 1.00 13.12 C ATOM 363 N LEU A 74 27.195 112.012 5.803 1.00 13.16 N ATOM 364 CA LEU A 74 27.058 113.297 6.489 1.00 13.39 C ATOM 365 C LEU A 74 26.176 113.123 7.729 1.00 17.29 C ATOM 366 O LEU A 74 24.993 112.782 7.624 1.00 13.52 O ATOM 367 CB LEU A 74 26.461 114.352 5.551 1.00 11.07 C ATOM 368 CG LEU A 74 26.363 115.801 6.029 1.00 16.36 C ATOM 369 CD1 LEU A 74 27.703 116.314 6.592 1.00 7.38 C ATOM 370 CD2 LEU A 74 25.842 116.711 4.889 1.00 10.94 C ATOM 371 N MET A 75 26.761 113.371 8.898 1.00 16.07 N ATOM 372 CA MET A 75 26.100 113.110 10.170 1.00 13.44 C ATOM 373 C MET A 75 25.894 114.397 10.953 1.00 20.02 C ATOM 374 O MET A 75 26.812 115.229 11.051 1.00 19.39 O ATOM 375 CB MET A 75 26.937 112.152 11.019 1.00 11.69 C ATOM 376 CG MET A 75 27.407 110.907 10.295 1.00 15.23 C ATOM 377 SD MET A 75 28.313 109.764 11.375 1.00 21.57 S ATOM 378 CE MET A 75 27.144 109.560 12.709 1.00 14.65 C ATOM 379 N THR A 76 24.694 114.560 11.510 1.00 15.92 N ATOM 380 CA THR A 76 24.450 115.630 12.468 1.00 18.40 C ATOM 381 C THR A 76 25.099 115.287 13.807 1.00 16.97 C ATOM 382 O THR A 76 25.110 114.126 14.217 1.00 15.63 O ATOM 383 CB THR A 76 22.948 115.882 12.703 1.00 16.48 C ATOM 384 OG1 THR A 76 22.795 116.875 13.727 1.00 18.77 O ATOM 385 CG2 THR A 76 22.247 114.600 13.147 1.00 16.95 C ATOM 386 N ARG A 77 25.632 116.302 14.478 1.00 15.58 N ATOM 387 CA ARG A 77 26.233 116.133 15.794 1.00 18.97 C ATOM 388 C ARG A 77 25.225 116.455 16.904 1.00 21.71 C ATOM 389 O ARG A 77 25.524 116.289 18.085 1.00 23.00 O ATOM 390 CB ARG A 77 27.490 117.004 15.947 1.00 17.83 C ATOM 391 CG ARG A 77 28.599 116.718 14.919 1.00 15.33 C ATOM 392 CD ARG A 77 29.870 117.489 15.244 1.00 16.73 C ATOM 393 NE ARG A 77 30.596 116.937 16.384 1.00 17.29 N ATOM 394 CZ ARG A 77 31.678 117.501 16.926 1.00 26.48 C ATOM 395 NH1 ARG A 77 32.156 118.633 16.424 1.00 19.38 N ATOM 396 NH2 ARG A 77 32.286 116.943 17.974 1.00 16.25 N ATOM 397 N ASP A 78 24.033 116.907 16.525 1.00 20.83 N ATOM 398 CA ASP A 78 22.985 117.195 17.510 1.00 24.72 C ATOM 399 C ASP A 78 22.536 115.921 18.223 1.00 20.28 C ATOM 400 O ASP A 78 22.035 114.995 17.589 1.00 19.91 O ATOM 401 CB ASP A 78 21.781 117.869 16.853 1.00 22.14 C ATOM 402 CG ASP A 78 20.739 118.322 17.867 1.00 28.18 C ATOM 403 OD1 ASP A 78 20.461 117.586 18.839 1.00 28.59 O ATOM 404 OD2 ASP A 78 20.191 119.427 17.692 1.00 35.86 O ATOM 405 N PRO A 79 22.712 115.876 19.553 1.00 21.12 N ATOM 406 CA PRO A 79 22.480 114.654 20.327 1.00 20.27 C ATOM 407 C PRO A 79 21.010 114.260 20.390 1.00 23.95 C ATOM 408 O PRO A 79 20.700 113.103 20.680 1.00 20.33 O ATOM 409 CB PRO A 79 23.014 115.003 21.724 1.00 20.17 C ATOM 410 CG PRO A 79 22.972 116.480 21.792 1.00 28.77 C ATOM 411 CD PRO A 79 23.226 116.976 20.389 1.00 25.77 C ATOM 412 N AHIS A 80 20.081 115.172 20.152 0.51 20.22 N ATOM 413 N BHIS A 80 20.150 115.232 20.095 0.49 20.05 N ATOM 414 CA AHIS A 80 18.708 114.694 20.059 0.51 22.72 C ATOM 415 CA BHIS A 80 18.706 115.054 20.074 0.49 23.00 C ATOM 416 C AHIS A 80 18.508 114.020 18.715 0.51 22.47 C ATOM 417 C BHIS A 80 18.175 114.785 18.664 0.49 22.35 C ATOM 418 O AHIS A 80 18.252 112.810 18.635 0.51 17.03 O ATOM 419 O BHIS A 80 17.007 114.445 18.496 0.49 22.34 O ATOM 420 CB AHIS A 80 17.669 115.803 20.229 0.51 23.54 C ATOM 421 CB BHIS A 80 18.011 116.298 20.646 0.49 22.77 C ATOM 422 CG AHIS A 80 16.266 115.336 19.979 0.51 26.14 C ATOM 423 CG BHIS A 80 18.488 116.688 22.011 0.49 25.61 C ATOM 424 ND1AHIS A 80 15.746 114.199 20.563 0.51 20.65 N ATOM 425 ND1BHIS A 80 18.616 115.784 23.045 0.49 26.75 N ATOM 426 CD2AHIS A 80 15.284 115.836 19.190 0.51 27.73 C ATOM 427 CD2BHIS A 80 18.860 117.890 22.513 0.49 21.67 C ATOM 428 CE1AHIS A 80 14.502 114.026 20.154 0.51 23.91 C ATOM 429 CE1BHIS A 80 19.052 116.412 24.123 0.49 29.10 C ATOM 430 NE2AHIS A 80 14.197 115.007 19.322 0.51 26.97 N ATOM 431 NE2BHIS A 80 19.203 117.691 23.828 0.49 26.00 N ATOM 432 N ALEU A 81 18.659 114.824 17.666 0.51 20.07 N ATOM 433 N BLEU A 81 19.025 114.947 17.653 0.49 19.71 N ATOM 434 CA ALEU A 81 18.342 114.419 16.304 0.51 20.83 C ATOM 435 CA BLEU A 81 18.615 114.702 16.271 0.49 21.09 C ATOM 436 C ALEU A 81 19.111 113.195 15.816 0.51 20.39 C ATOM 437 C BLEU A 81 19.235 113.427 15.699 0.49 20.44 C ATOM 438 O ALEU A 81 18.593 112.429 15.001 0.51 18.87 O ATOM 439 O BLEU A 81 18.723 112.846 14.741 0.49 19.20 O ATOM 440 CB ALEU A 81 18.537 115.594 15.335 0.51 21.36 C ATOM 441 CB BLEU A 81 18.962 115.903 15.379 0.49 21.06 C ATOM 442 CG ALEU A 81 17.597 116.786 15.557 0.51 23.11 C ATOM 443 CG BLEU A 81 18.114 117.164 15.577 0.49 24.00 C ATOM 444 CD1ALEU A 81 17.901 117.916 14.586 0.51 23.06 C ATOM 445 CD1BLEU A 81 18.674 118.338 14.783 0.49 22.50 C ATOM 446 CD2ALEU A 81 16.144 116.356 15.447 0.51 19.97 C ATOM 447 CD2BLEU A 81 16.659 116.903 15.208 0.49 20.74 C ATOM 448 N THR A 82 20.335 112.995 16.304 1.00 18.22 N ATOM 449 CA THR A 82 21.125 111.869 15.807 1.00 13.31 C ATOM 450 C THR A 82 20.400 110.524 15.953 1.00 18.54 C ATOM 451 O THR A 82 20.656 109.589 15.191 1.00 21.53 O ATOM 452 CB THR A 82 22.515 111.803 16.480 1.00 17.08 C ATOM 453 OG1 THR A 82 23.351 110.874 15.784 1.00 14.77 O ATOM 454 CG2 THR A 82 22.399 111.386 17.926 1.00 15.34 C ATOM 455 N HIS A 83 19.485 110.444 16.914 1.00 16.80 N ATOM 456 CA HIS A 83 18.736 109.222 17.166 1.00 23.81 C ATOM 457 C HIS A 83 17.325 109.241 16.600 1.00 22.95 C ATOM 458 O HIS A 83 16.594 108.266 16.745 1.00 26.63 O ATOM 459 CB HIS A 83 18.688 108.903 18.665 1.00 23.76 C ATOM 460 CG HIS A 83 19.999 108.439 19.215 1.00 27.92 C ATOM 461 ND1 HIS A 83 20.499 108.877 20.423 1.00 29.55 N ATOM 462 CD2 HIS A 83 20.928 107.596 18.703 1.00 22.28 C ATOM 463 CE1 HIS A 83 21.676 108.313 20.637 1.00 28.18 C ATOM 464 NE2 HIS A 83 21.957 107.530 19.609 1.00 28.54 N ATOM 465 N VAL A 84 16.943 110.337 15.958 1.00 19.75 N ATOM 466 CA VAL A 84 15.649 110.399 15.286 1.00 17.41 C ATOM 467 C VAL A 84 15.678 109.561 13.999 1.00 19.94 C ATOM 468 O VAL A 84 16.646 109.606 13.243 1.00 19.09 O ATOM 469 CB VAL A 84 15.264 111.851 14.986 1.00 19.88 C ATOM 470 CG1 VAL A 84 13.919 111.932 14.258 1.00 16.20 C ATOM 471 CG2 VAL A 84 15.215 112.645 16.285 1.00 20.26 C ATOM 472 N HIS A 85 14.628 108.779 13.765 1.00 17.84 N ATOM 473 CA HIS A 85 14.535 107.966 12.555 1.00 15.37 C ATOM 474 C HIS A 85 14.473 108.889 11.323 1.00 15.81 C ATOM 475 O HIS A 85 13.770 109.903 11.338 1.00 16.44 O ATOM 476 CB HIS A 85 13.307 107.041 12.625 1.00 14.41 C ATOM 477 CG HIS A 85 13.248 106.017 11.527 1.00 27.62 C ATOM 478 ND1 HIS A 85 13.001 106.346 10.208 1.00 25.53 N ATOM 479 CD2 HIS A 85 13.402 104.669 11.554 1.00 20.58 C ATOM 480 CE1 HIS A 85 13.022 105.249 9.470 1.00 21.20 C ATOM 481 NE2 HIS A 85 13.259 104.218 10.263 1.00 26.97 N ATOM 482 N PRO A 86 15.221 108.546 10.262 1.00 17.53 N ATOM 483 CA PRO A 86 15.310 109.371 9.044 1.00 17.78 C ATOM 484 C PRO A 86 13.963 109.724 8.398 1.00 20.35 C ATOM 485 O PRO A 86 13.825 110.828 7.874 1.00 19.61 O ATOM 486 CB PRO A 86 16.167 108.518 8.092 1.00 16.66 C ATOM 487 CG PRO A 86 16.174 107.143 8.680 1.00 17.14 C ATOM 488 CD PRO A 86 16.061 107.338 10.163 1.00 15.33 C ATOM 489 N LEU A 87 12.991 108.819 8.430 1.00 17.23 N ATOM 490 CA LEU A 87 11.662 109.145 7.928 1.00 17.40 C ATOM 491 C LEU A 87 10.990 110.248 8.752 1.00 20.17 C ATOM 492 O LEU A 87 10.288 111.090 8.201 1.00 17.76 O ATOM 493 CB LEU A 87 10.772 107.902 7.857 1.00 18.51 C ATOM 494 CG LEU A 87 11.204 106.875 6.808 1.00 23.84 C ATOM 495 CD1 LEU A 87 10.278 105.665 6.812 1.00 23.65 C ATOM 496 CD2 LEU A 87 11.251 107.511 5.434 1.00 18.16 C ATOM 497 N GLU A 88 11.211 110.240 10.065 1.00 20.72 N ATOM 498 CA GLU A 88 10.705 111.296 10.947 1.00 22.31 C ATOM 499 C GLU A 88 11.412 112.611 10.657 1.00 23.24 C ATOM 500 O GLU A 88 10.795 113.679 10.706 1.00 20.56 O ATOM 501 CB GLU A 88 10.932 110.940 12.413 1.00 23.11 C ATOM 502 CG GLU A 88 10.081 109.807 12.923 1.00 42.40 C ATOM 503 CD GLU A 88 8.837 110.307 13.607 1.00 52.33 C ATOM 504 OE1 GLU A 88 8.969 111.052 14.607 1.00 55.18 O ATOM 505 OE2 GLU A 88 7.731 109.962 13.138 1.00 59.82 O ATOM 506 N ILE A 89 12.714 112.519 10.378 1.00 16.94 N ATOM 507 CA ILE A 89 13.501 113.671 9.979 1.00 16.98 C ATOM 508 C ILE A 89 12.898 114.320 8.729 1.00 19.67 C ATOM 509 O ILE A 89 12.616 115.527 8.731 1.00 17.01 O ATOM 510 CB ILE A 89 14.977 113.286 9.734 1.00 19.13 C ATOM 511 CG1 ILE A 89 15.643 112.877 11.053 1.00 17.32 C ATOM 512 CG2 ILE A 89 15.744 114.444 9.084 1.00 16.01 C ATOM 513 CD1 ILE A 89 15.784 114.016 12.068 1.00 13.38 C ATOM 514 N MET A 90 12.679 113.513 7.687 1.00 12.91 N ATOM 515 CA MET A 90 12.086 113.983 6.436 1.00 14.89 C ATOM 516 C MET A 90 10.699 114.587 6.650 1.00 20.07 C ATOM 517 O MET A 90 10.348 115.587 6.028 1.00 21.23 O ATOM 518 CB MET A 90 11.984 112.849 5.411 1.00 16.03 C ATOM 519 CG MET A 90 13.329 112.265 4.972 1.00 16.65 C ATOM 520 SD MET A 90 14.299 113.461 4.036 1.00 26.48 S ATOM 521 CE MET A 90 13.392 113.501 2.481 1.00 14.25 C ATOM 522 N MET A 91 9.907 113.976 7.524 1.00 16.29 N ATOM 523 CA MET A 91 8.549 114.454 7.760 1.00 21.78 C ATOM 524 C MET A 91 8.493 115.724 8.614 1.00 24.34 C ATOM 525 O MET A 91 7.791 116.673 8.274 1.00 25.07 O ATOM 526 CB MET A 91 7.698 113.372 8.435 1.00 22.08 C ATOM 527 CG MET A 91 7.011 112.410 7.495 1.00 19.68 C ATOM 528 SD MET A 91 5.961 111.270 8.432 1.00 29.50 S ATOM 529 CE MET A 91 7.177 110.252 9.257 1.00 29.40 C ATOM 530 N LYS A 92 9.234 115.739 9.719 1.00 19.93 N ATOM 531 CA LYS A 92 9.017 116.746 10.753 1.00 21.52 C ATOM 532 C LYS A 92 10.247 117.565 11.133 1.00 20.39 C ATOM 533 O LYS A 92 10.181 118.372 12.046 1.00 23.38 O ATOM 534 CB LYS A 92 8.470 116.075 12.017 1.00 23.76 C ATOM 535 CG LYS A 92 7.288 115.157 11.790 1.00 25.08 C ATOM 536 CD LYS A 92 7.089 114.278 13.002 1.00 27.04 C ATOM 537 CE LYS A 92 6.083 113.178 12.730 1.00 33.50 C ATOM 538 NZ LYS A 92 5.939 112.266 13.906 1.00 37.79 N ATOM 539 N HIS A 93 11.370 117.358 10.458 1.00 20.61 N ATOM 540 CA HIS A 93 12.551 118.172 10.743 1.00 21.40 C ATOM 541 C HIS A 93 13.119 118.773 9.466 1.00 21.18 C ATOM 542 O HIS A 93 14.261 118.518 9.091 1.00 22.21 O ATOM 543 CB HIS A 93 13.604 117.360 11.514 1.00 18.37 C ATOM 544 CG HIS A 93 13.120 116.870 12.844 1.00 19.77 C ATOM 545 ND1 HIS A 93 13.295 117.585 14.007 1.00 24.88 N ATOM 546 CD2 HIS A 93 12.439 115.751 13.192 1.00 24.71 C ATOM 547 CE1 HIS A 93 12.760 116.921 15.018 1.00 25.49 C ATOM 548 NE2 HIS A 93 12.236 115.803 14.550 1.00 21.66 N ATOM 549 N ARG A 94 12.308 119.578 8.794 1.00 21.33 N ATOM 550 CA ARG A 94 12.706 120.140 7.511 1.00 20.84 C ATOM 551 C ARG A 94 13.914 121.067 7.615 1.00 23.07 C ATOM 552 O ARG A 94 14.672 121.222 6.653 1.00 25.10 O ATOM 553 CB ARG A 94 11.534 120.893 6.873 1.00 23.26 C ATOM 554 CG ARG A 94 10.285 120.040 6.678 1.00 19.35 C ATOM 555 CD ARG A 94 10.601 118.801 5.874 1.00 20.90 C ATOM 556 NE ARG A 94 11.155 119.152 4.577 1.00 17.33 N ATOM 557 CZ ARG A 94 11.611 118.275 3.693 1.00 20.08 C ATOM 558 NH1 ARG A 94 11.582 116.978 3.969 1.00 15.63 N ATOM 559 NH2 ARG A 94 12.105 118.702 2.535 1.00 15.69 N ATOM 560 N SER A 95 14.086 121.698 8.769 1.00 20.99 N ATOM 561 CA SER A 95 15.149 122.678 8.908 1.00 23.70 C ATOM 562 C SER A 95 16.495 121.970 8.929 1.00 20.78 C ATOM 563 O SER A 95 17.470 122.492 8.408 1.00 19.86 O ATOM 564 CB SER A 95 14.947 123.567 10.143 1.00 21.63 C ATOM 565 OG SER A 95 15.309 122.888 11.328 1.00 36.12 O ATOM 566 N LEU A 96 16.539 120.772 9.508 1.00 22.50 N ATOM 567 CA LEU A 96 17.741 119.941 9.427 1.00 21.55 C ATOM 568 C LEU A 96 17.974 119.479 7.993 1.00 16.76 C ATOM 569 O LEU A 96 19.090 119.531 7.499 1.00 16.54 O ATOM 570 CB LEU A 96 17.665 118.723 10.354 1.00 18.69 C ATOM 571 CG LEU A 96 18.912 117.832 10.274 1.00 21.42 C ATOM 572 CD1 LEU A 96 20.149 118.570 10.810 1.00 18.14 C ATOM 573 CD2 LEU A 96 18.730 116.498 11.002 1.00 21.46 C ATOM 574 N VAL A 97 16.913 119.025 7.331 1.00 20.27 N ATOM 575 CA VAL A 97 17.003 118.612 5.936 1.00 17.91 C ATOM 576 C VAL A 97 17.576 119.735 5.068 1.00 17.10 C ATOM 577 O VAL A 97 18.473 119.502 4.278 1.00 17.79 O ATOM 578 CB VAL A 97 15.637 118.137 5.369 1.00 19.29 C ATOM 579 CG1 VAL A 97 15.718 117.955 3.863 1.00 13.15 C ATOM 580 CG2 VAL A 97 15.221 116.840 6.018 1.00 17.19 C ATOM 581 N GLU A 98 17.074 120.954 5.233 1.00 20.17 N ATOM 582 CA GLU A 98 17.565 122.095 4.451 1.00 21.15 C ATOM 583 C GLU A 98 19.017 122.419 4.775 1.00 20.37 C ATOM 584 O GLU A 98 19.805 122.725 3.883 1.00 19.86 O ATOM 585 CB GLU A 98 16.682 123.343 4.655 1.00 15.13 C ATOM 586 CG GLU A 98 15.291 123.194 4.063 1.00 26.65 C ATOM 587 CD GLU A 98 14.294 124.205 4.602 1.00 47.12 C ATOM 588 OE1 GLU A 98 14.659 124.985 5.512 1.00 49.35 O ATOM 589 OE2 GLU A 98 13.137 124.218 4.118 1.00 53.50 O ATOM 590 N LYS A 99 19.368 122.364 6.051 1.00 17.60 N ATOM 591 CA LYS A 99 20.751 122.613 6.459 1.00 22.90 C ATOM 592 C LYS A 99 21.721 121.603 5.831 1.00 19.64 C ATOM 593 O LYS A 99 22.771 121.980 5.321 1.00 20.07 O ATOM 594 CB LYS A 99 20.884 122.585 7.983 1.00 21.26 C ATOM 595 CG LYS A 99 22.321 122.683 8.457 1.00 27.36 C ATOM 596 CD LYS A 99 22.508 122.084 9.859 1.00 35.82 C ATOM 597 CE LYS A 99 21.968 122.999 10.957 1.00 37.98 C ATOM 598 NZ LYS A 99 22.705 124.292 11.028 1.00 44.64 N ATOM 599 N LEU A 100 21.362 120.323 5.861 1.00 17.54 N ATOM 600 CA LEU A 100 22.214 119.289 5.275 1.00 21.58 C ATOM 601 C LEU A 100 22.436 119.534 3.782 1.00 18.74 C ATOM 602 O LEU A 100 23.545 119.368 3.274 1.00 15.82 O ATOM 603 CB LEU A 100 21.613 117.895 5.489 1.00 16.06 C ATOM 604 CG LEU A 100 21.526 117.400 6.936 1.00 19.80 C ATOM 605 CD1 LEU A 100 20.816 116.049 6.977 1.00 22.26 C ATOM 606 CD2 LEU A 100 22.892 117.302 7.571 1.00 16.40 C ATOM 607 N VAL A 101 21.367 119.917 3.093 1.00 16.03 N ATOM 608 CA VAL A 101 21.425 120.221 1.670 1.00 18.09 C ATOM 609 C VAL A 101 22.294 121.451 1.402 1.00 20.65 C ATOM 610 O VAL A 101 23.042 121.485 0.427 1.00 17.02 O ATOM 611 CB VAL A 101 20.002 120.426 1.090 1.00 24.89 C ATOM 612 CG1 VAL A 101 20.056 121.103 -0.264 1.00 16.15 C ATOM 613 CG2 VAL A 101 19.272 119.086 1.000 1.00 15.63 C ATOM 614 N SER A 102 22.194 122.454 2.276 1.00 17.59 N ATOM 615 CA SER A 102 23.029 123.649 2.178 1.00 19.06 C ATOM 616 C SER A 102 24.517 123.298 2.257 1.00 20.91 C ATOM 617 O SER A 102 25.311 123.775 1.447 1.00 18.55 O ATOM 618 CB SER A 102 22.660 124.673 3.261 1.00 18.27 C ATOM 619 OG ASER A 102 23.711 125.599 3.483 0.55 25.00 O ATOM 620 OG BSER A 102 21.412 125.272 2.987 0.45 20.44 O ATOM 621 N TYR A 103 24.889 122.473 3.234 1.00 16.31 N ATOM 622 CA TYR A 103 26.264 121.978 3.321 1.00 16.16 C ATOM 623 C TYR A 103 26.712 121.292 2.040 1.00 18.14 C ATOM 624 O TYR A 103 27.788 121.589 1.530 1.00 16.64 O ATOM 625 CB TYR A 103 26.433 120.995 4.474 1.00 12.77 C ATOM 626 CG TYR A 103 26.764 121.630 5.796 1.00 19.60 C ATOM 627 CD1 TYR A 103 25.809 121.720 6.804 1.00 14.30 C ATOM 628 CD2 TYR A 103 28.040 122.133 6.046 1.00 15.46 C ATOM 629 CE1 TYR A 103 26.117 122.285 8.023 1.00 16.47 C ATOM 630 CE2 TYR A 103 28.353 122.712 7.262 1.00 15.98 C ATOM 631 CZ TYR A 103 27.389 122.780 8.249 1.00 17.66 C ATOM 632 OH TYR A 103 27.695 123.352 9.461 1.00 20.81 O ATOM 633 N VAL A 104 25.893 120.367 1.535 1.00 14.96 N ATOM 634 CA VAL A 104 26.261 119.576 0.357 1.00 17.52 C ATOM 635 C VAL A 104 26.424 120.434 -0.901 1.00 20.12 C ATOM 636 O VAL A 104 27.307 120.186 -1.723 1.00 19.37 O ATOM 637 CB VAL A 104 25.244 118.432 0.068 1.00 17.37 C ATOM 638 CG1 VAL A 104 25.550 117.775 -1.268 1.00 14.82 C ATOM 639 CG2 VAL A 104 25.277 117.391 1.172 1.00 14.49 C ATOM 640 N GLN A 105 25.572 121.441 -1.055 1.00 18.24 N ATOM 641 CA GLN A 105 25.659 122.325 -2.220 1.00 22.15 C ATOM 642 C GLN A 105 26.577 123.523 -1.971 1.00 23.29 C ATOM 643 O GLN A 105 26.911 124.251 -2.893 1.00 22.33 O ATOM 644 CB GLN A 105 24.268 122.796 -2.644 1.00 21.98 C ATOM 645 CG GLN A 105 23.403 121.665 -3.189 1.00 28.44 C ATOM 646 CD GLN A 105 21.949 122.055 -3.372 1.00 35.23 C ATOM 647 OE1 GLN A 105 21.488 123.064 -2.832 1.00 35.74 O ATOM 648 NE2 GLN A 105 21.215 121.249 -4.132 1.00 30.91 N ATOM 649 N GLY A 106 26.995 123.713 -0.724 1.00 18.08 N ATOM 650 CA GLY A 106 27.765 124.889 -0.371 1.00 19.22 C ATOM 651 C GLY A 106 29.165 124.575 0.134 1.00 21.90 C ATOM 652 O GLY A 106 30.052 124.192 -0.635 1.00 17.19 O ATOM 653 N ASP A 107 29.355 124.719 1.439 1.00 17.42 N ATOM 654 CA ASP A 107 30.685 124.635 2.030 1.00 20.23 C ATOM 655 C ASP A 107 31.420 123.319 1.784 1.00 19.84 C ATOM 656 O ASP A 107 32.641 123.274 1.889 1.00 17.17 O ATOM 657 CB ASP A 107 30.620 124.932 3.525 1.00 18.63 C ATOM 658 CG ASP A 107 30.379 126.406 3.815 1.00 32.99 C ATOM 659 OD1 ASP A 107 30.147 127.201 2.861 1.00 26.05 O ATOM 660 OD2 ASP A 107 30.411 126.767 5.011 1.00 41.14 O ATOM 661 N LEU A 108 30.683 122.264 1.446 1.00 14.65 N ATOM 662 CA LEU A 108 31.283 120.951 1.232 1.00 15.77 C ATOM 663 C LEU A 108 31.378 120.578 -0.241 1.00 14.07 C ATOM 664 O LEU A 108 31.929 119.530 -0.580 1.00 14.71 O ATOM 665 CB LEU A 108 30.493 119.862 1.965 1.00 12.80 C ATOM 666 CG LEU A 108 30.164 120.101 3.444 1.00 21.49 C ATOM 667 CD1 LEU A 108 29.419 118.906 4.010 1.00 18.47 C ATOM 668 CD2 LEU A 108 31.422 120.373 4.260 1.00 18.39 C ATOM 669 N SER A 109 30.847 121.424 -1.117 1.00 11.97 N ATOM 670 CA SER A 109 30.737 121.037 -2.523 1.00 15.97 C ATOM 671 C SER A 109 32.099 120.813 -3.175 1.00 15.95 C ATOM 672 O SER A 109 32.319 119.791 -3.833 1.00 14.58 O ATOM 673 CB SER A 109 29.879 122.027 -3.326 1.00 14.67 C ATOM 674 OG SER A 109 30.397 123.334 -3.248 1.00 19.28 O ATOM 675 N GLY A 110 33.017 121.755 -2.973 1.00 16.56 N ATOM 676 CA GLY A 110 34.368 121.614 -3.494 1.00 14.69 C ATOM 677 C GLY A 110 35.029 120.363 -2.945 1.00 13.77 C ATOM 678 O GLY A 110 35.653 119.594 -3.672 1.00 16.32 O ATOM 679 N LEU A 111 34.884 120.162 -1.645 1.00 13.74 N ATOM 680 CA LEU A 111 35.435 118.996 -0.976 1.00 14.18 C ATOM 681 C LEU A 111 34.881 117.706 -1.601 1.00 20.49 C ATOM 682 O LEU A 111 35.624 116.751 -1.873 1.00 18.32 O ATOM 683 CB LEU A 111 35.090 119.066 0.516 1.00 13.89 C ATOM 684 CG LEU A 111 35.540 117.915 1.412 1.00 17.25 C ATOM 685 CD1 LEU A 111 37.052 117.733 1.328 1.00 11.10 C ATOM 686 CD2 LEU A 111 35.080 118.155 2.844 1.00 10.76 C ATOM 687 N ILE A 112 33.573 117.683 -1.839 1.00 16.77 N ATOM 688 CA ILE A 112 32.938 116.481 -2.354 1.00 13.61 C ATOM 689 C ILE A 112 33.397 116.198 -3.783 1.00 14.75 C ATOM 690 O ILE A 112 33.699 115.058 -4.116 1.00 14.26 O ATOM 691 CB ILE A 112 31.393 116.558 -2.242 1.00 15.67 C ATOM 692 CG1 ILE A 112 30.969 116.360 -0.784 1.00 15.15 C ATOM 693 CG2 ILE A 112 30.738 115.514 -3.107 1.00 10.04 C ATOM 694 CD1 ILE A 112 29.522 116.723 -0.512 1.00 15.60 C ATOM 695 N PHE A 113 33.465 117.235 -4.617 1.00 13.54 N ATOM 696 CA PHE A 113 33.933 117.061 -5.987 1.00 13.97 C ATOM 697 C PHE A 113 35.374 116.549 -6.027 1.00 15.20 C ATOM 698 O PHE A 113 35.746 115.812 -6.934 1.00 17.10 O ATOM 699 CB PHE A 113 33.805 118.355 -6.800 1.00 13.83 C ATOM 700 CG PHE A 113 32.383 118.750 -7.115 1.00 14.30 C ATOM 701 CD1 PHE A 113 31.451 117.802 -7.512 1.00 13.57 C ATOM 702 CD2 PHE A 113 31.983 120.076 -7.016 1.00 13.38 C ATOM 703 CE1 PHE A 113 30.141 118.163 -7.803 1.00 15.80 C ATOM 704 CE2 PHE A 113 30.671 120.450 -7.298 1.00 19.24 C ATOM 705 CZ PHE A 113 29.747 119.495 -7.693 1.00 19.56 C ATOM 706 N ASP A 114 36.189 116.937 -5.053 1.00 13.87 N ATOM 707 CA ASP A 114 37.572 116.484 -5.049 1.00 18.27 C ATOM 708 C ASP A 114 37.673 115.011 -4.663 1.00 17.42 C ATOM 709 O ASP A 114 38.408 114.251 -5.296 1.00 20.28 O ATOM 710 CB ASP A 114 38.465 117.350 -4.146 1.00 15.75 C ATOM 711 CG ASP A 114 39.947 117.110 -4.403 1.00 19.77 C ATOM 712 OD1 ASP A 114 40.372 117.191 -5.578 1.00 21.57 O ATOM 713 OD2 ASP A 114 40.686 116.810 -3.443 1.00 21.53 O ATOM 714 N GLU A 115 36.937 114.623 -3.624 1.00 15.11 N ATOM 715 CA GLU A 115 36.812 113.221 -3.236 1.00 16.63 C ATOM 716 C GLU A 115 36.382 112.390 -4.450 1.00 21.00 C ATOM 717 O GLU A 115 36.970 111.355 -4.753 1.00 19.47 O ATOM 718 CB GLU A 115 35.795 113.082 -2.092 1.00 16.40 C ATOM 719 CG GLU A 115 35.521 111.646 -1.630 1.00 28.44 C ATOM 720 CD GLU A 115 36.646 111.049 -0.776 1.00 31.24 C ATOM 721 OE1 GLU A 115 37.587 111.789 -0.399 1.00 27.25 O ATOM 722 OE2 GLU A 115 36.583 109.830 -0.488 1.00 26.58 O ATOM 723 N ALA A 116 35.375 112.877 -5.167 1.00 17.68 N ATOM 724 CA ALA A 116 34.877 112.181 -6.337 1.00 17.85 C ATOM 725 C ALA A 116 35.942 112.077 -7.434 1.00 22.77 C ATOM 726 O ALA A 116 36.133 111.005 -8.013 1.00 24.26 O ATOM 727 CB ALA A 116 33.615 112.861 -6.862 1.00 16.22 C ATOM 728 N ARG A 117 36.642 113.177 -7.715 1.00 19.56 N ATOM 729 CA ARG A 117 37.699 113.151 -8.730 1.00 19.91 C ATOM 730 C ARG A 117 38.836 112.201 -8.351 1.00 21.77 C ATOM 731 O ARG A 117 39.373 111.491 -9.200 1.00 24.56 O ATOM 732 CB ARG A 117 38.226 114.558 -9.056 1.00 16.80 C ATOM 733 CG ARG A 117 37.426 115.276 -10.143 1.00 20.08 C ATOM 734 CD ARG A 117 38.067 116.594 -10.585 1.00 18.77 C ATOM 735 NE ARG A 117 37.783 117.707 -9.674 1.00 15.30 N ATOM 736 CZ ARG A 117 36.770 118.563 -9.815 1.00 18.97 C ATOM 737 NH1 ARG A 117 35.913 118.439 -10.825 1.00 13.14 N ATOM 738 NH2 ARG A 117 36.606 119.544 -8.935 1.00 17.72 N ATOM 739 N ASN A 118 39.192 112.170 -7.073 1.00 22.13 N ATOM 740 CA ASN A 118 40.203 111.223 -6.611 1.00 17.45 C ATOM 741 C ASN A 118 39.747 109.776 -6.687 1.00 18.62 C ATOM 742 O ASN A 118 40.558 108.872 -6.822 1.00 22.08 O ATOM 743 CB ASN A 118 40.613 111.541 -5.179 1.00 15.97 C ATOM 744 CG ASN A 118 41.459 112.799 -5.082 1.00 21.28 C ATOM 745 OD1 ASN A 118 42.094 113.202 -6.050 1.00 22.56 O ATOM 746 ND2 ASN A 118 41.482 113.413 -3.903 1.00 19.26 N ATOM 747 N CYS A 119 38.445 109.552 -6.587 1.00 21.01 N ATOM 748 CA CYS A 119 37.928 108.191 -6.496 1.00 18.34 C ATOM 749 C CYS A 119 37.575 107.649 -7.872 1.00 23.98 C ATOM 750 O CYS A 119 37.600 106.436 -8.097 1.00 24.81 O ATOM 751 CB CYS A 119 36.699 108.149 -5.583 1.00 18.21 C ATOM 752 SG CYS A 119 37.068 108.231 -3.824 1.00 28.07 S ATOM 753 N LEU A 120 37.237 108.564 -8.777 1.00 18.64 N ATOM 754 CA LEU A 120 36.828 108.223 -10.127 1.00 20.44 C ATOM 755 C LEU A 120 37.913 108.640 -11.108 1.00 24.32 C ATOM 756 O LEU A 120 38.758 107.836 -11.478 1.00 26.36 O ATOM 757 CB LEU A 120 35.492 108.888 -10.476 1.00 15.02 C ATOM 758 CG LEU A 120 34.256 108.148 -9.947 1.00 25.60 C ATOM 759 CD1 LEU A 120 34.194 108.175 -8.419 1.00 26.52 C ATOM 760 CD2 LEU A 120 32.962 108.698 -10.535 1.00 23.57 C ATOM 761 N SER A 121 37.898 109.906 -11.512 1.00 19.84 N ATOM 762 CA SER A 121 38.905 110.420 -12.419 1.00 16.51 C ATOM 763 C SER A 121 39.066 111.925 -12.294 1.00 19.77 C ATOM 764 O SER A 121 38.086 112.651 -12.159 1.00 18.86 O ATOM 765 CB SER A 121 38.548 110.071 -13.859 1.00 20.49 C ATOM 766 OG SER A 121 39.485 110.658 -14.747 1.00 25.80 O ATOM 767 N GLN A 122 40.313 112.382 -12.354 1.00 21.54 N ATOM 768 CA GLN A 122 40.627 113.804 -12.356 1.00 23.36 C ATOM 769 C GLN A 122 39.991 114.547 -13.544 1.00 18.67 C ATOM 770 O GLN A 122 39.751 115.744 -13.473 1.00 20.32 O ATOM 771 CB GLN A 122 42.152 114.010 -12.337 1.00 19.21 C ATOM 772 CG GLN A 122 42.607 115.474 -12.349 1.00 17.70 C ATOM 773 CD GLN A 122 42.256 116.239 -11.060 1.00 19.18 C ATOM 774 OE1 GLN A 122 42.037 115.654 -10.002 1.00 19.95 O ATOM 775 NE2 GLN A 122 42.217 117.552 -11.157 1.00 17.82 N ATOM 776 N GLN A 123 39.700 113.829 -14.622 1.00 21.78 N ATOM 777 CA GLN A 123 39.181 114.448 -15.840 1.00 21.60 C ATOM 778 C GLN A 123 37.673 114.690 -15.831 1.00 23.03 C ATOM 779 O GLN A 123 37.097 115.074 -16.850 1.00 25.18 O ATOM 780 CB GLN A 123 39.544 113.593 -17.050 1.00 21.58 C ATOM 781 CG GLN A 123 40.996 113.187 -17.076 1.00 26.89 C ATOM 782 CD GLN A 123 41.294 112.218 -18.196 1.00 40.27 C ATOM 783 OE1 GLN A 123 40.842 112.404 -19.326 1.00 40.13 O ATOM 784 NE2 GLN A 123 42.042 111.163 -17.885 1.00 35.21 N ATOM 785 N LEU A 124 37.032 114.470 -14.689 1.00 22.33 N ATOM 786 CA LEU A 124 35.591 114.703 -14.579 1.00 16.79 C ATOM 787 C LEU A 124 35.279 116.084 -14.021 1.00 18.90 C ATOM 788 O LEU A 124 35.807 116.475 -12.980 1.00 19.71 O ATOM 789 CB LEU A 124 34.953 113.632 -13.702 1.00 17.87 C ATOM 790 CG LEU A 124 35.014 112.243 -14.334 1.00 18.92 C ATOM 791 CD1 LEU A 124 34.794 111.162 -13.293 1.00 13.84 C ATOM 792 CD2 LEU A 124 34.006 112.158 -15.471 1.00 13.90 C ATOM 793 N THR A 125 34.420 116.816 -14.719 1.00 15.70 N ATOM 794 CA THR A 125 34.045 118.152 -14.302 1.00 15.35 C ATOM 795 C THR A 125 32.966 118.079 -13.232 1.00 22.41 C ATOM 796 O THR A 125 32.300 117.052 -13.086 1.00 17.00 O ATOM 797 CB THR A 125 33.501 118.969 -15.479 1.00 23.47 C ATOM 798 OG1 THR A 125 32.247 118.424 -15.904 1.00 22.41 O ATOM 799 CG2 THR A 125 34.488 118.959 -16.647 1.00 18.58 C ATOM 800 N ASN A 126 32.801 119.172 -12.491 1.00 18.29 N ATOM 801 CA ASN A 126 31.728 119.295 -11.508 1.00 17.51 C ATOM 802 C ASN A 126 30.364 118.933 -12.077 1.00 18.85 C ATOM 803 O ASN A 126 29.565 118.279 -11.420 1.00 18.75 O ATOM 804 CB ASN A 126 31.666 120.725 -10.960 1.00 16.03 C ATOM 805 CG ASN A 126 32.938 121.127 -10.218 1.00 18.08 C ATOM 806 OD1 ASN A 126 33.811 120.295 -9.941 1.00 16.78 O ATOM 807 ND2 ASN A 126 33.046 122.410 -9.894 1.00 17.03 N ATOM 808 N GLU A 127 30.087 119.381 -13.295 1.00 23.01 N ATOM 809 CA GLU A 127 28.797 119.102 -13.906 1.00 26.16 C ATOM 810 C GLU A 127 28.608 117.604 -14.145 1.00 21.79 C ATOM 811 O GLU A 127 27.571 117.050 -13.809 1.00 25.09 O ATOM 812 CB GLU A 127 28.618 119.877 -15.212 1.00 26.73 C ATOM 813 CG GLU A 127 27.241 119.673 -15.810 1.00 36.67 C ATOM 814 CD GLU A 127 27.080 120.294 -17.182 1.00 60.53 C ATOM 815 OE1 GLU A 127 27.966 121.074 -17.597 1.00 68.77 O ATOM 816 OE2 GLU A 127 26.062 119.995 -17.846 1.00 61.49 O ATOM 817 N ALA A 128 29.610 116.951 -14.717 1.00 16.38 N ATOM 818 CA ALA A 128 29.540 115.506 -14.905 1.00 21.62 C ATOM 819 C ALA A 128 29.336 114.798 -13.560 1.00 23.95 C ATOM 820 O ALA A 128 28.519 113.884 -13.449 1.00 25.71 O ATOM 821 CB ALA A 128 30.800 114.985 -15.606 1.00 17.82 C ATOM 822 N LEU A 129 30.064 115.243 -12.538 1.00 16.37 N ATOM 823 CA LEU A 129 29.996 114.629 -11.223 1.00 17.80 C ATOM 824 C LEU A 129 28.647 114.841 -10.551 1.00 21.62 C ATOM 825 O LEU A 129 28.096 113.937 -9.917 1.00 17.49 O ATOM 826 CB LEU A 129 31.113 115.165 -10.335 1.00 15.85 C ATOM 827 CG LEU A 129 32.473 114.645 -10.780 1.00 19.57 C ATOM 828 CD1 LEU A 129 33.586 115.228 -9.933 1.00 18.90 C ATOM 829 CD2 LEU A 129 32.458 113.131 -10.716 1.00 21.52 C ATOM 830 N CYS A 130 28.129 116.050 -10.688 1.00 19.87 N ATOM 831 CA CYS A 130 26.868 116.415 -10.078 1.00 23.42 C ATOM 832 C CYS A 130 25.735 115.496 -10.564 1.00 27.14 C ATOM 833 O CYS A 130 24.871 115.091 -9.783 1.00 23.83 O ATOM 834 CB CYS A 130 26.575 117.886 -10.382 1.00 27.25 C ATOM 835 SG CYS A 130 25.089 118.539 -9.656 1.00 50.14 S ATOM 836 N ASN A 131 25.750 115.156 -11.850 1.00 24.87 N ATOM 837 CA ASN A 131 24.747 114.255 -12.412 1.00 23.49 C ATOM 838 C ASN A 131 25.044 112.784 -12.142 1.00 23.99 C ATOM 839 O ASN A 131 24.381 111.907 -12.688 1.00 25.92 O ATOM 840 CB ASN A 131 24.661 114.437 -13.929 1.00 26.51 C ATOM 841 CG ASN A 131 24.044 115.763 -14.333 1.00 34.85 C ATOM 842 OD1 ASN A 131 23.149 116.283 -13.666 1.00 33.00 O ATOM 843 ND2 ASN A 131 24.515 116.308 -15.446 1.00 41.89 N ATOM 844 N TYR A 132 26.068 112.503 -11.351 1.00 17.33 N ATOM 845 CA TYR A 132 26.458 111.125 -11.127 1.00 15.31 C ATOM 846 C TYR A 132 26.591 110.885 -9.631 1.00 18.72 C ATOM 847 O TYR A 132 27.255 109.942 -9.184 1.00 17.22 O ATOM 848 CB TYR A 132 27.758 110.833 -11.866 1.00 18.13 C ATOM 849 CG TYR A 132 28.043 109.372 -12.140 1.00 19.38 C ATOM 850 CD1 TYR A 132 27.334 108.660 -13.112 1.00 21.59 C ATOM 851 CD2 TYR A 132 29.043 108.714 -11.449 1.00 18.38 C ATOM 852 CE1 TYR A 132 27.621 107.312 -13.375 1.00 19.58 C ATOM 853 CE2 TYR A 132 29.343 107.389 -11.702 1.00 22.74 C ATOM 854 CZ TYR A 132 28.633 106.689 -12.658 1.00 24.73 C ATOM 855 OH TYR A 132 28.960 105.367 -12.864 1.00 21.11 O ATOM 856 N ILE A 133 25.951 111.760 -8.862 1.00 15.15 N ATOM 857 CA ILE A 133 25.984 111.683 -7.412 1.00 17.56 C ATOM 858 C ILE A 133 24.565 111.659 -6.869 1.00 20.90 C ATOM 859 O ILE A 133 23.687 112.363 -7.377 1.00 19.75 O ATOM 860 CB ILE A 133 26.744 112.880 -6.797 1.00 16.00 C ATOM 861 CG1 ILE A 133 28.255 112.685 -6.957 1.00 15.62 C ATOM 862 CG2 ILE A 133 26.407 113.026 -5.344 1.00 11.58 C ATOM 863 CD1 ILE A 133 29.082 113.930 -6.600 1.00 15.46 C ATOM 864 N LYS A 134 24.340 110.836 -5.848 1.00 14.47 N ATOM 865 CA LYS A 134 23.054 110.787 -5.185 1.00 13.34 C ATOM 866 C LYS A 134 23.207 110.948 -3.672 1.00 15.28 C ATOM 867 O LYS A 134 24.228 110.588 -3.082 1.00 12.83 O ATOM 868 CB LYS A 134 22.289 109.509 -5.543 1.00 15.50 C ATOM 869 CG LYS A 134 22.984 108.205 -5.145 1.00 18.77 C ATOM 870 CD LYS A 134 22.201 107.000 -5.671 1.00 18.59 C ATOM 871 CE LYS A 134 22.939 105.698 -5.429 1.00 18.28 C ATOM 872 NZ LYS A 134 22.336 104.557 -6.171 1.00 19.91 N ATOM 873 N VAL A 135 22.166 111.488 -3.055 1.00 17.56 N ATOM 874 CA VAL A 135 22.190 111.872 -1.655 1.00 15.04 C ATOM 875 C VAL A 135 20.875 111.428 -1.033 1.00 15.03 C ATOM 876 O VAL A 135 19.805 111.824 -1.500 1.00 14.87 O ATOM 877 CB VAL A 135 22.295 113.412 -1.533 1.00 16.74 C ATOM 878 CG1 VAL A 135 22.260 113.867 -0.068 1.00 8.06 C ATOM 879 CG2 VAL A 135 23.528 113.920 -2.257 1.00 13.96 C ATOM 880 N GLY A 136 20.943 110.601 0.006 1.00 15.54 N ATOM 881 CA GLY A 136 19.732 110.159 0.672 1.00 15.03 C ATOM 882 C GLY A 136 19.945 109.331 1.921 1.00 17.19 C ATOM 883 O GLY A 136 21.075 108.980 2.275 1.00 19.21 O ATOM 884 N PHE A 137 18.835 109.034 2.591 1.00 14.47 N ATOM 885 CA PHE A 137 18.806 108.183 3.767 1.00 14.88 C ATOM 886 C PHE A 137 18.321 106.787 3.376 1.00 15.50 C ATOM 887 O PHE A 137 17.516 106.638 2.457 1.00 17.76 O ATOM 888 CB PHE A 137 17.810 108.736 4.800 1.00 16.04 C ATOM 889 CG PHE A 137 18.188 110.074 5.401 1.00 15.04 C ATOM 890 CD1 PHE A 137 19.279 110.192 6.246 1.00 14.80 C ATOM 891 CD2 PHE A 137 17.404 111.199 5.171 1.00 13.84 C ATOM 892 CE1 PHE A 137 19.609 111.423 6.824 1.00 13.94 C ATOM 893 CE2 PHE A 137 17.717 112.422 5.748 1.00 16.73 C ATOM 894 CZ PHE A 137 18.830 112.535 6.580 1.00 12.03 C ATOM 895 N HIS A 138 18.794 105.766 4.081 1.00 16.78 N ATOM 896 CA HIS A 138 18.145 104.459 4.031 1.00 16.03 C ATOM 897 C HIS A 138 16.860 104.501 4.850 1.00 17.86 C ATOM 898 O HIS A 138 16.844 105.033 5.961 1.00 19.77 O ATOM 899 CB HIS A 138 19.052 103.381 4.599 1.00 18.82 C ATOM 900 CG HIS A 138 19.948 102.755 3.582 1.00 18.58 C ATOM 901 ND1 HIS A 138 21.013 101.951 3.924 1.00 20.99 N ATOM 902 CD2 HIS A 138 19.935 102.812 2.230 1.00 18.07 C ATOM 903 CE1 HIS A 138 21.619 101.541 2.824 1.00 25.33 C ATOM 904 NE2 HIS A 138 20.981 102.047 1.782 1.00 22.47 N ATOM 905 N ALA A 139 15.784 103.942 4.305 1.00 21.49 N ATOM 906 CA ALA A 139 14.497 103.914 5.010 1.00 21.59 C ATOM 907 C ALA A 139 14.559 103.083 6.298 1.00 19.91 C ATOM 908 O ALA A 139 13.857 103.373 7.259 1.00 23.37 O ATOM 909 CB ALA A 139 13.402 103.402 4.101 1.00 18.12 C ATOM 910 N GLY A 140 15.391 102.046 6.306 1.00 16.80 N ATOM 911 CA GLY A 140 15.633 101.286 7.519 1.00 18.84 C ATOM 912 C GLY A 140 17.119 101.146 7.792 1.00 23.66 C ATOM 913 O GLY A 140 17.754 100.217 7.299 1.00 25.63 O ATOM 914 N PRO A 141 17.687 102.073 8.577 1.00 21.19 N ATOM 915 CA PRO A 141 19.125 102.072 8.867 1.00 24.92 C ATOM 916 C PRO A 141 19.512 100.888 9.748 1.00 26.53 C ATOM 917 O PRO A 141 18.663 100.398 10.483 1.00 26.07 O ATOM 918 CB PRO A 141 19.326 103.365 9.671 1.00 22.49 C ATOM 919 CG PRO A 141 18.047 104.108 9.600 1.00 22.00 C ATOM 920 CD PRO A 141 16.977 103.115 9.332 1.00 22.71 C ATOM 921 N SER A 142 20.766 100.449 9.680 1.00 25.87 N ATOM 922 CA SER A 142 21.301 99.509 10.663 1.00 20.72 C ATOM 923 C SER A 142 22.038 100.260 11.755 1.00 25.11 C ATOM 924 O SER A 142 21.983 99.876 12.920 1.00 33.80 O ATOM 925 CB SER A 142 22.241 98.498 10.018 1.00 25.62 C ATOM 926 OG SER A 142 21.566 97.716 9.052 1.00 32.80 O ATOM 927 N MET A 143 22.720 101.339 11.385 1.00 21.98 N ATOM 928 CA MET A 143 23.413 102.177 12.368 1.00 22.07 C ATOM 929 C MET A 143 22.468 103.217 12.954 1.00 22.75 C ATOM 930 O MET A 143 21.636 103.778 12.241 1.00 23.59 O ATOM 931 CB MET A 143 24.626 102.865 11.742 1.00 16.12 C ATOM 932 CG MET A 143 25.611 101.896 11.138 1.00 29.25 C ATOM 933 SD MET A 143 26.478 100.916 12.390 1.00 30.94 S ATOM 934 CE MET A 143 27.328 99.770 11.322 1.00 36.81 C ATOM 935 N ASN A 144 22.622 103.480 14.248 1.00 20.87 N ATOM 936 CA ASN A 144 21.671 104.279 15.007 1.00 22.06 C ATOM 937 C ASN A 144 21.909 105.786 14.929 1.00 24.15 C ATOM 938 O ASN A 144 21.019 106.575 15.237 1.00 26.32 O ATOM 939 CB ASN A 144 21.675 103.851 16.482 1.00 26.53 C ATOM 940 CG ASN A 144 21.022 102.488 16.710 1.00 34.59 C ATOM 941 OD1 ASN A 144 20.109 102.092 15.983 1.00 32.94 O ATOM 942 ND2 ASN A 144 21.489 101.771 17.735 1.00 26.81 N ATOM 943 N ASN A 145 23.110 106.191 14.542 1.00 17.68 N ATOM 944 CA ASN A 145 23.405 107.615 14.456 1.00 18.88 C ATOM 945 C ASN A 145 23.086 108.183 13.068 1.00 19.62 C ATOM 946 O ASN A 145 23.733 107.824 12.086 1.00 19.99 O ATOM 947 CB ASN A 145 24.853 107.870 14.851 1.00 17.44 C ATOM 948 CG ASN A 145 25.096 107.609 16.325 1.00 20.99 C ATOM 949 OD1 ASN A 145 24.816 108.461 17.168 1.00 23.24 O ATOM 950 ND2 ASN A 145 25.579 106.419 16.647 1.00 17.73 N ATOM 951 N LEU A 146 22.078 109.051 12.997 1.00 12.73 N ATOM 952 CA LEU A 146 21.579 109.566 11.716 1.00 14.41 C ATOM 953 C LEU A 146 22.686 109.943 10.749 1.00 16.75 C ATOM 954 O LEU A 146 23.584 110.711 11.081 1.00 17.31 O ATOM 955 CB LEU A 146 20.669 110.778 11.933 1.00 17.06 C ATOM 956 CG LEU A 146 19.923 111.283 10.695 1.00 16.87 C ATOM 957 CD1 LEU A 146 18.703 110.404 10.388 1.00 9.85 C ATOM 958 CD2 LEU A 146 19.508 112.732 10.885 1.00 14.71 C ATOM 959 N HIS A 147 22.621 109.408 9.540 1.00 17.57 N ATOM 960 CA HIS A 147 23.676 109.648 8.570 1.00 13.90 C ATOM 961 C HIS A 147 23.097 109.691 7.164 1.00 20.64 C ATOM 962 O HIS A 147 22.320 108.823 6.762 1.00 19.09 O ATOM 963 CB HIS A 147 24.734 108.544 8.662 1.00 13.78 C ATOM 964 CG HIS A 147 24.160 107.164 8.586 1.00 19.97 C ATOM 965 ND1 HIS A 147 23.536 106.560 9.657 1.00 17.98 N ATOM 966 CD2 HIS A 147 24.079 106.287 7.557 1.00 16.18 C ATOM 967 CE1 HIS A 147 23.116 105.360 9.299 1.00 17.96 C ATOM 968 NE2 HIS A 147 23.434 105.169 8.030 1.00 22.05 N ATOM 969 N LEU A 148 23.495 110.710 6.418 1.00 21.42 N ATOM 970 CA LEU A 148 23.052 110.885 5.053 1.00 14.07 C ATOM 971 C LEU A 148 24.125 110.341 4.108 1.00 14.93 C ATOM 972 O LEU A 148 25.283 110.751 4.183 1.00 14.95 O ATOM 973 CB LEU A 148 22.828 112.370 4.793 1.00 15.72 C ATOM 974 CG LEU A 148 22.310 112.752 3.414 1.00 19.58 C ATOM 975 CD1 LEU A 148 20.875 112.252 3.258 1.00 12.65 C ATOM 976 CD2 LEU A 148 22.396 114.268 3.264 1.00 16.06 C ATOM 977 N HIS A 149 23.740 109.413 3.231 1.00 15.24 N ATOM 978 CA HIS A 149 24.648 108.891 2.214 1.00 12.10 C ATOM 979 C HIS A 149 24.823 109.865 1.042 1.00 13.87 C ATOM 980 O HIS A 149 23.852 110.378 0.488 1.00 14.71 O ATOM 981 CB HIS A 149 24.132 107.572 1.651 1.00 13.76 C ATOM 982 CG HIS A 149 23.909 106.509 2.678 1.00 20.53 C ATOM 983 ND1 HIS A 149 24.870 105.575 2.999 1.00 16.90 N ATOM 984 CD2 HIS A 149 22.823 106.210 3.430 1.00 15.54 C ATOM 985 CE1 HIS A 149 24.390 104.756 3.918 1.00 18.84 C ATOM 986 NE2 HIS A 149 23.150 105.117 4.194 1.00 19.30 N ATOM 987 N ILE A 150 26.074 110.091 0.664 1.00 14.04 N ATOM 988 CA ILE A 150 26.432 110.895 -0.494 1.00 10.47 C ATOM 989 C ILE A 150 27.394 110.027 -1.254 1.00 13.55 C ATOM 990 O ILE A 150 28.455 109.683 -0.734 1.00 14.09 O ATOM 991 CB ILE A 150 27.219 112.134 -0.065 1.00 11.07 C ATOM 992 CG1 ILE A 150 26.370 112.992 0.872 1.00 11.84 C ATOM 993 CG2 ILE A 150 27.717 112.906 -1.289 1.00 10.32 C ATOM 994 CD1 ILE A 150 27.183 113.999 1.675 1.00 17.00 C ATOM 995 N MET A 151 27.038 109.655 -2.473 1.00 12.22 N ATOM 996 CA MET A 151 27.779 108.618 -3.163 1.00 14.06 C ATOM 997 C MET A 151 27.584 108.728 -4.663 1.00 14.13 C ATOM 998 O MET A 151 26.582 109.269 -5.130 1.00 13.65 O ATOM 999 CB MET A 151 27.309 107.237 -2.681 1.00 14.02 C ATOM 1000 CG MET A 151 25.927 106.852 -3.202 1.00 17.91 C ATOM 1001 SD MET A 151 25.037 105.653 -2.179 1.00 22.30 S ATOM 1002 CE MET A 151 26.154 104.244 -2.270 1.00 14.57 C ATOM 1003 N THR A 152 28.550 108.205 -5.410 1.00 11.98 N ATOM 1004 CA THR A 152 28.450 108.125 -6.863 1.00 11.90 C ATOM 1005 C THR A 152 27.474 107.021 -7.287 1.00 15.13 C ATOM 1006 O THR A 152 27.093 106.166 -6.478 1.00 16.53 O ATOM 1007 CB THR A 152 29.853 107.986 -7.528 1.00 15.14 C ATOM 1008 OG1 THR A 152 30.614 106.958 -6.875 1.00 17.11 O ATOM 1009 CG2 THR A 152 30.615 109.296 -7.396 1.00 15.41 C ATOM 1010 N LEU A 153 27.044 107.052 -8.543 1.00 17.18 N ATOM 1011 CA LEU A 153 25.992 106.145 -8.996 1.00 17.90 C ATOM 1012 C LEU A 153 26.501 104.760 -9.431 1.00 19.74 C ATOM 1013 O LEU A 153 25.718 103.821 -9.550 1.00 19.25 O ATOM 1014 CB LEU A 153 25.193 106.785 -10.138 1.00 22.25 C ATOM 1015 CG LEU A 153 24.431 108.092 -9.879 1.00 19.90 C ATOM 1016 CD1 LEU A 153 23.554 108.442 -11.089 1.00 15.98 C ATOM 1017 CD2 LEU A 153 23.595 108.003 -8.628 1.00 14.66 C ATOM 1018 N ASP A 154 27.809 104.639 -9.651 1.00 17.36 N ATOM 1019 CA ASP A 154 28.398 103.453 -10.288 1.00 21.35 C ATOM 1020 C ASP A 154 28.063 102.120 -9.605 1.00 22.24 C ATOM 1021 O ASP A 154 27.811 101.119 -10.275 1.00 20.40 O ATOM 1022 CB ASP A 154 29.921 103.602 -10.356 1.00 16.15 C ATOM 1023 CG ASP A 154 30.505 104.071 -9.034 1.00 22.84 C ATOM 1024 OD1 ASP A 154 30.496 105.298 -8.802 1.00 23.09 O ATOM 1025 OD2 ASP A 154 30.934 103.222 -8.217 1.00 19.22 O ATOM 1026 N HIS A 155 28.072 102.115 -8.276 1.00 18.46 N ATOM 1027 CA HIS A 155 28.007 100.880 -7.506 1.00 21.69 C ATOM 1028 C HIS A 155 29.066 99.851 -7.898 1.00 21.93 C ATOM 1029 O HIS A 155 28.819 98.649 -7.831 1.00 21.94 O ATOM 1030 CB HIS A 155 26.600 100.287 -7.530 1.00 18.02 C ATOM 1031 CG HIS A 155 25.634 101.081 -6.722 1.00 22.08 C ATOM 1032 ND1 HIS A 155 25.763 101.225 -5.356 1.00 17.51 N ATOM 1033 CD2 HIS A 155 24.573 101.841 -7.086 1.00 16.57 C ATOM 1034 CE1 HIS A 155 24.809 102.024 -4.912 1.00 25.72 C ATOM 1035 NE2 HIS A 155 24.076 102.413 -5.940 1.00 17.49 N ATOM 1036 N VAL A 156 30.238 100.340 -8.305 1.00 17.34 N ATOM 1037 CA VAL A 156 31.404 99.493 -8.527 1.00 16.42 C ATOM 1038 C VAL A 156 32.317 99.556 -7.301 1.00 20.78 C ATOM 1039 O VAL A 156 32.935 100.582 -7.026 1.00 22.31 O ATOM 1040 CB VAL A 156 32.183 99.906 -9.788 1.00 18.53 C ATOM 1041 CG1 VAL A 156 33.459 99.087 -9.917 1.00 21.76 C ATOM 1042 CG2 VAL A 156 31.320 99.731 -11.013 1.00 19.57 C ATOM 1043 N SER A 157 32.390 98.453 -6.561 1.00 24.46 N ATOM 1044 CA SER A 157 33.124 98.425 -5.303 1.00 18.96 C ATOM 1045 C SER A 157 33.240 97.009 -4.752 1.00 22.90 C ATOM 1046 O SER A 157 32.271 96.251 -4.763 1.00 22.89 O ATOM 1047 CB SER A 157 32.418 99.303 -4.268 1.00 21.15 C ATOM 1048 OG SER A 157 33.050 99.197 -3.005 1.00 22.72 O ATOM 1049 N PRO A 158 34.427 96.657 -4.245 1.00 27.00 N ATOM 1050 CA PRO A 158 34.625 95.360 -3.585 1.00 28.72 C ATOM 1051 C PRO A 158 33.674 95.168 -2.412 1.00 25.92 C ATOM 1052 O PRO A 158 33.289 94.033 -2.148 1.00 29.00 O ATOM 1053 CB PRO A 158 36.067 95.443 -3.067 1.00 24.73 C ATOM 1054 CG PRO A 158 36.729 96.462 -3.935 1.00 25.16 C ATOM 1055 CD PRO A 158 35.663 97.460 -4.288 1.00 22.76 C ATOM 1056 N SER A 159 33.295 96.254 -1.734 1.00 24.54 N ATOM 1057 CA SER A 159 32.428 96.166 -0.560 1.00 20.05 C ATOM 1058 C SER A 159 30.963 95.912 -0.891 1.00 21.96 C ATOM 1059 O SER A 159 30.174 95.610 -0.003 1.00 25.71 O ATOM 1060 CB SER A 159 32.530 97.424 0.304 1.00 20.05 C ATOM 1061 OG SER A 159 33.818 97.569 0.859 1.00 26.40 O ATOM 1062 N LEU A 160 30.589 96.070 -2.154 1.00 22.19 N ATOM 1063 CA LEU A 160 29.229 95.737 -2.570 1.00 28.68 C ATOM 1064 C LEU A 160 29.186 94.228 -2.816 1.00 25.75 C ATOM 1065 O LEU A 160 29.606 93.749 -3.870 1.00 25.72 O ATOM 1066 CB LEU A 160 28.826 96.513 -3.833 1.00 18.69 C ATOM 1067 CG LEU A 160 27.375 96.294 -4.274 1.00 22.48 C ATOM 1068 CD1 LEU A 160 26.490 97.469 -3.833 1.00 18.64 C ATOM 1069 CD2 LEU A 160 27.291 96.089 -5.777 1.00 23.11 C ATOM 1070 N LYS A 161 28.693 93.480 -1.837 1.00 22.52 N ATOM 1071 CA LYS A 161 28.904 92.036 -1.826 1.00 27.32 C ATOM 1072 C LYS A 161 27.639 91.197 -1.972 1.00 31.35 C ATOM 1073 O LYS A 161 27.717 89.993 -2.223 1.00 34.94 O ATOM 1074 CB LYS A 161 29.666 91.622 -0.567 1.00 27.39 C ATOM 1075 CG LYS A 161 31.149 91.964 -0.621 1.00 23.84 C ATOM 1076 CD LYS A 161 31.862 91.477 0.626 1.00 22.95 C ATOM 1077 CE LYS A 161 33.326 91.891 0.616 1.00 23.37 C ATOM 1078 NZ LYS A 161 34.015 91.425 1.847 1.00 36.14 N ATOM 1079 N ASN A 162 26.478 91.821 -1.820 1.00 26.39 N ATOM 1080 CA ASN A 162 25.228 91.086 -1.975 1.00 29.52 C ATOM 1081 C ASN A 162 24.098 91.945 -2.522 1.00 30.54 C ATOM 1082 O ASN A 162 24.182 93.177 -2.542 1.00 30.11 O ATOM 1083 CB ASN A 162 24.811 90.425 -0.660 1.00 22.07 C ATOM 1084 CG ASN A 162 24.625 91.423 0.457 1.00 29.02 C ATOM 1085 OD1 ASN A 162 23.758 92.298 0.388 1.00 26.51 O ATOM 1086 ND2 ASN A 162 25.434 91.295 1.503 1.00 27.36 N ATOM 1087 N SER A 163 23.040 91.276 -2.958 1.00 26.74 N ATOM 1088 CA SER A 163 21.931 91.925 -3.629 1.00 21.10 C ATOM 1089 C SER A 163 21.250 92.973 -2.764 1.00 22.18 C ATOM 1090 O SER A 163 20.817 94.004 -3.268 1.00 23.74 O ATOM 1091 CB SER A 163 20.921 90.869 -4.087 1.00 29.37 C ATOM 1092 OG SER A 163 21.526 90.009 -5.041 1.00 32.32 O ATOM 1093 N ALA A 164 21.141 92.704 -1.467 1.00 23.05 N ATOM 1094 CA ALA A 164 20.503 93.651 -0.553 1.00 23.24 C ATOM 1095 C ALA A 164 21.260 94.985 -0.523 1.00 23.07 C ATOM 1096 O ALA A 164 20.651 96.053 -0.515 1.00 22.78 O ATOM 1097 CB ALA A 164 20.380 93.058 0.849 1.00 12.47 C ATOM 1098 N HIS A 165 22.588 94.914 -0.508 1.00 21.13 N ATOM 1099 CA HIS A 165 23.412 96.106 -0.661 1.00 21.50 C ATOM 1100 C HIS A 165 22.917 96.926 -1.842 1.00 20.48 C ATOM 1101 O HIS A 165 22.530 98.081 -1.687 1.00 21.62 O ATOM 1102 CB HIS A 165 24.875 95.734 -0.891 1.00 18.15 C ATOM 1103 CG HIS A 165 25.572 95.227 0.331 1.00 24.25 C ATOM 1104 ND1 HIS A 165 26.749 94.511 0.272 1.00 24.53 N ATOM 1105 CD2 HIS A 165 25.269 95.348 1.646 1.00 21.60 C ATOM 1106 CE1 HIS A 165 27.139 94.208 1.497 1.00 22.14 C ATOM 1107 NE2 HIS A 165 26.262 94.711 2.350 1.00 23.36 N ATOM 1108 N TYR A 166 22.930 96.310 -3.019 1.00 17.65 N ATOM 1109 CA TYR A 166 22.603 96.985 -4.262 1.00 15.19 C ATOM 1110 C TYR A 166 21.181 97.536 -4.272 1.00 21.46 C ATOM 1111 O TYR A 166 20.955 98.687 -4.636 1.00 20.91 O ATOM 1112 CB TYR A 166 22.807 96.039 -5.448 1.00 17.53 C ATOM 1113 CG TYR A 166 22.415 96.646 -6.779 1.00 17.92 C ATOM 1114 CD1 TYR A 166 23.254 97.543 -7.430 1.00 17.00 C ATOM 1115 CD2 TYR A 166 21.198 96.330 -7.380 1.00 19.77 C ATOM 1116 CE1 TYR A 166 22.891 98.111 -8.643 1.00 21.73 C ATOM 1117 CE2 TYR A 166 20.832 96.882 -8.588 1.00 20.58 C ATOM 1118 CZ TYR A 166 21.678 97.776 -9.214 1.00 23.34 C ATOM 1119 OH TYR A 166 21.311 98.329 -10.418 1.00 28.29 O ATOM 1120 N ILE A 167 20.222 96.710 -3.871 1.00 22.48 N ATOM 1121 CA ILE A 167 18.820 97.107 -3.898 1.00 20.54 C ATOM 1122 C ILE A 167 18.535 98.249 -2.932 1.00 22.48 C ATOM 1123 O ILE A 167 17.706 99.112 -3.221 1.00 20.04 O ATOM 1124 CB ILE A 167 17.897 95.919 -3.578 1.00 26.10 C ATOM 1125 CG1 ILE A 167 17.994 94.861 -4.678 1.00 25.35 C ATOM 1126 CG2 ILE A 167 16.460 96.381 -3.396 1.00 25.01 C ATOM 1127 CD1 ILE A 167 17.484 93.504 -4.242 1.00 22.67 C ATOM 1128 N SER A 168 19.220 98.249 -1.788 1.00 18.41 N ATOM 1129 CA SER A 168 18.998 99.271 -0.768 1.00 19.60 C ATOM 1130 C SER A 168 19.361 100.676 -1.249 1.00 19.11 C ATOM 1131 O SER A 168 18.859 101.656 -0.707 1.00 15.96 O ATOM 1132 CB SER A 168 19.751 98.951 0.533 1.00 21.21 C ATOM 1133 OG SER A 168 21.150 99.135 0.376 1.00 19.43 O ATOM 1134 N PHE A 169 20.237 100.776 -2.248 1.00 19.74 N ATOM 1135 CA PHE A 169 20.643 102.093 -2.756 1.00 22.76 C ATOM 1136 C PHE A 169 19.995 102.473 -4.090 1.00 20.55 C ATOM 1137 O PHE A 169 20.190 103.586 -4.574 1.00 20.21 O ATOM 1138 CB PHE A 169 22.175 102.194 -2.871 1.00 17.17 C ATOM 1139 CG PHE A 169 22.874 102.294 -1.546 1.00 19.73 C ATOM 1140 CD1 PHE A 169 22.865 103.477 -0.833 1.00 18.20 C ATOM 1141 CD2 PHE A 169 23.535 101.202 -1.008 1.00 23.75 C ATOM 1142 CE1 PHE A 169 23.504 103.575 0.396 1.00 15.46 C ATOM 1143 CE2 PHE A 169 24.169 101.285 0.223 1.00 20.28 C ATOM 1144 CZ PHE A 169 24.152 102.477 0.924 1.00 19.38 C ATOM 1145 N THR A 170 19.244 101.548 -4.687 1.00 19.34 N ATOM 1146 CA THR A 170 18.712 101.749 -6.032 1.00 22.71 C ATOM 1147 C THR A 170 17.204 101.549 -6.126 1.00 24.13 C ATOM 1148 O THR A 170 16.653 101.397 -7.214 1.00 27.78 O ATOM 1149 CB THR A 170 19.369 100.795 -7.036 1.00 21.86 C ATOM 1150 OG1 THR A 170 19.196 99.440 -6.583 1.00 24.48 O ATOM 1151 CG2 THR A 170 20.859 101.117 -7.195 1.00 19.72 C ATOM 1152 N SER A 171 16.541 101.534 -4.984 1.00 19.63 N ATOM 1153 CA SER A 171 15.113 101.312 -4.951 1.00 20.49 C ATOM 1154 C SER A 171 14.520 102.388 -4.051 1.00 22.18 C ATOM 1155 O SER A 171 15.249 103.248 -3.564 1.00 23.11 O ATOM 1156 CB SER A 171 14.829 99.929 -4.381 1.00 21.08 C ATOM 1157 OG SER A 171 15.026 99.932 -2.981 1.00 21.88 O ATOM 1158 N PRO A 172 13.201 102.346 -3.820 1.00 21.55 N ATOM 1159 CA PRO A 172 12.572 103.323 -2.923 1.00 23.26 C ATOM 1160 C PRO A 172 13.086 103.222 -1.494 1.00 21.62 C ATOM 1161 O PRO A 172 12.782 104.096 -0.665 1.00 15.44 O ATOM 1162 CB PRO A 172 11.090 102.928 -2.960 1.00 20.26 C ATOM 1163 CG PRO A 172 10.923 102.252 -4.276 1.00 24.86 C ATOM 1164 CD PRO A 172 12.205 101.505 -4.506 1.00 20.96 C ATOM 1165 N PHE A 173 13.822 102.154 -1.196 1.00 16.94 N ATOM 1166 CA PHE A 173 14.400 102.005 0.130 1.00 17.17 C ATOM 1167 C PHE A 173 15.400 103.140 0.366 1.00 16.20 C ATOM 1168 O PHE A 173 15.609 103.595 1.491 1.00 17.67 O ATOM 1169 CB PHE A 173 15.077 100.646 0.254 1.00 20.18 C ATOM 1170 CG PHE A 173 15.547 100.316 1.643 1.00 14.32 C ATOM 1171 CD1 PHE A 173 16.873 100.504 2.002 1.00 17.03 C ATOM 1172 CD2 PHE A 173 14.673 99.786 2.577 1.00 17.97 C ATOM 1173 CE1 PHE A 173 17.322 100.176 3.272 1.00 21.31 C ATOM 1174 CE2 PHE A 173 15.114 99.458 3.860 1.00 22.48 C ATOM 1175 CZ PHE A 173 16.441 99.651 4.204 1.00 23.86 C ATOM 1176 N PHE A 174 16.017 103.588 -0.714 1.00 13.67 N ATOM 1177 CA PHE A 174 16.904 104.728 -0.653 1.00 16.44 C ATOM 1178 C PHE A 174 16.053 105.969 -0.821 1.00 15.59 C ATOM 1179 O PHE A 174 15.475 106.209 -1.883 1.00 15.75 O ATOM 1180 CB PHE A 174 17.978 104.638 -1.737 1.00 12.30 C ATOM 1181 CG PHE A 174 19.025 105.710 -1.644 1.00 19.13 C ATOM 1182 CD1 PHE A 174 19.966 105.694 -0.625 1.00 18.56 C ATOM 1183 CD2 PHE A 174 19.081 106.731 -2.583 1.00 17.51 C ATOM 1184 CE1 PHE A 174 20.944 106.678 -0.548 1.00 19.77 C ATOM 1185 CE2 PHE A 174 20.047 107.717 -2.503 1.00 18.85 C ATOM 1186 CZ PHE A 174 20.978 107.696 -1.489 1.00 18.24 C ATOM 1187 N VAL A 175 15.936 106.735 0.251 1.00 16.42 N ATOM 1188 CA VAL A 175 15.078 107.911 0.241 1.00 15.56 C ATOM 1189 C VAL A 175 15.936 109.124 -0.103 1.00 16.06 C ATOM 1190 O VAL A 175 16.656 109.657 0.745 1.00 17.66 O ATOM 1191 CB VAL A 175 14.369 108.100 1.610 1.00 18.39 C ATOM 1192 CG1 VAL A 175 13.407 109.282 1.574 1.00 13.05 C ATOM 1193 CG2 VAL A 175 13.631 106.819 2.023 1.00 13.61 C ATOM 1194 N LYS A 176 15.888 109.533 -1.363 1.00 15.79 N ATOM 1195 CA LYS A 176 16.589 110.738 -1.794 1.00 17.62 C ATOM 1196 C LYS A 176 16.186 111.958 -0.961 1.00 16.60 C ATOM 1197 O LYS A 176 15.031 112.099 -0.552 1.00 18.17 O ATOM 1198 CB LYS A 176 16.356 110.972 -3.278 1.00 18.08 C ATOM 1199 CG LYS A 176 16.941 109.859 -4.107 1.00 24.45 C ATOM 1200 CD LYS A 176 16.857 110.127 -5.587 1.00 27.69 C ATOM 1201 CE LYS A 176 17.595 109.042 -6.349 1.00 32.13 C ATOM 1202 NZ LYS A 176 17.546 109.256 -7.813 1.00 36.43 N ATOM 1203 N ILE A 177 17.161 112.816 -0.692 1.00 17.10 N ATOM 1204 CA ILE A 177 16.990 113.947 0.208 1.00 16.89 C ATOM 1205 C ILE A 177 15.949 114.965 -0.303 1.00 19.82 C ATOM 1206 O ILE A 177 15.412 115.754 0.477 1.00 19.41 O ATOM 1207 CB ILE A 177 18.364 114.626 0.501 1.00 18.13 C ATOM 1208 CG1 ILE A 177 18.281 115.576 1.695 1.00 17.31 C ATOM 1209 CG2 ILE A 177 18.913 115.326 -0.749 1.00 16.14 C ATOM 1210 CD1 ILE A 177 18.017 114.878 3.001 1.00 20.77 C ATOM 1211 N ASP A 178 15.651 114.934 -1.601 1.00 17.72 N ATOM 1212 CA ASP A 178 14.632 115.829 -2.175 1.00 20.55 C ATOM 1213 C ASP A 178 13.280 115.151 -2.436 1.00 23.55 C ATOM 1214 O ASP A 178 12.464 115.655 -3.213 1.00 25.19 O ATOM 1215 CB ASP A 178 15.139 116.489 -3.468 1.00 20.21 C ATOM 1216 CG ASP A 178 15.556 115.467 -4.534 1.00 36.67 C ATOM 1217 OD1 ASP A 178 15.303 114.251 -4.343 1.00 29.71 O ATOM 1218 OD2 ASP A 178 16.127 115.880 -5.572 1.00 35.17 O ATOM 1219 N THR A 179 13.037 114.018 -1.789 1.00 19.06 N ATOM 1220 CA THR A 179 11.745 113.356 -1.899 1.00 18.44 C ATOM 1221 C THR A 179 10.666 114.221 -1.259 1.00 17.73 C ATOM 1222 O THR A 179 10.811 114.658 -0.126 1.00 16.42 O ATOM 1223 CB THR A 179 11.753 111.990 -1.192 1.00 19.79 C ATOM 1224 OG1 THR A 179 12.822 111.185 -1.706 1.00 21.46 O ATOM 1225 CG2 THR A 179 10.418 111.266 -1.388 1.00 17.58 C ATOM 1226 N PRO A 180 9.580 114.495 -1.990 1.00 15.88 N ATOM 1227 CA PRO A 180 8.486 115.192 -1.312 1.00 18.42 C ATOM 1228 C PRO A 180 7.927 114.327 -0.188 1.00 18.36 C ATOM 1229 O PRO A 180 7.833 113.102 -0.316 1.00 15.07 O ATOM 1230 CB PRO A 180 7.438 115.374 -2.416 1.00 13.65 C ATOM 1231 CG PRO A 180 8.229 115.331 -3.687 1.00 20.26 C ATOM 1232 CD PRO A 180 9.351 114.356 -3.435 1.00 15.67 C ATOM 1233 N THR A 181 7.545 114.979 0.899 1.00 18.36 N ATOM 1234 CA THR A 181 7.070 114.300 2.096 1.00 22.57 C ATOM 1235 C THR A 181 5.887 113.358 1.851 1.00 22.70 C ATOM 1236 O THR A 181 5.823 112.271 2.422 1.00 21.74 O ATOM 1237 CB THR A 181 6.729 115.321 3.175 1.00 20.85 C ATOM 1238 OG1 THR A 181 7.926 116.028 3.521 1.00 21.53 O ATOM 1239 CG2 THR A 181 6.171 114.626 4.412 1.00 21.29 C ATOM 1240 N SER A 182 4.971 113.757 0.980 1.00 16.40 N ATOM 1241 CA SER A 182 3.843 112.895 0.661 1.00 21.68 C ATOM 1242 C SER A 182 4.259 111.642 -0.122 1.00 22.14 C ATOM 1243 O SER A 182 3.485 110.704 -0.246 1.00 23.45 O ATOM 1244 CB SER A 182 2.777 113.670 -0.108 1.00 23.24 C ATOM 1245 OG SER A 182 3.216 113.935 -1.430 1.00 30.64 O ATOM 1246 N ASN A 183 5.479 111.612 -0.646 1.00 19.22 N ATOM 1247 CA ASN A 183 5.914 110.433 -1.390 1.00 15.63 C ATOM 1248 C ASN A 183 6.951 109.563 -0.658 1.00 16.59 C ATOM 1249 O ASN A 183 7.581 108.698 -1.261 1.00 17.24 O ATOM 1250 CB ASN A 183 6.389 110.815 -2.800 1.00 16.36 C ATOM 1251 CG ASN A 183 5.300 111.533 -3.620 1.00 23.67 C ATOM 1252 OD1 ASN A 183 5.110 112.739 -3.491 1.00 30.28 O ATOM 1253 ND2 ASN A 183 4.602 110.791 -4.476 1.00 21.47 N ATOM 1254 N LEU A 184 7.124 109.795 0.640 1.00 17.47 N ATOM 1255 CA LEU A 184 7.987 108.941 1.441 1.00 16.41 C ATOM 1256 C LEU A 184 7.468 107.521 1.340 1.00 21.50 C ATOM 1257 O LEU A 184 6.260 107.307 1.264 1.00 19.94 O ATOM 1258 CB LEU A 184 8.036 109.405 2.893 1.00 14.89 C ATOM 1259 CG LEU A 184 8.777 110.726 3.062 1.00 20.00 C ATOM 1260 CD1 LEU A 184 8.630 111.268 4.482 1.00 14.14 C ATOM 1261 CD2 LEU A 184 10.237 110.564 2.659 1.00 13.70 C ATOM 1262 N PRO A 185 8.385 106.548 1.306 1.00 17.12 N ATOM 1263 CA PRO A 185 8.014 105.150 1.122 1.00 20.21 C ATOM 1264 C PRO A 185 7.289 104.667 2.364 1.00 23.84 C ATOM 1265 O PRO A 185 7.547 105.171 3.447 1.00 19.33 O ATOM 1266 CB PRO A 185 9.370 104.450 1.006 1.00 15.45 C ATOM 1267 CG PRO A 185 10.274 105.278 1.830 1.00 13.86 C ATOM 1268 CD PRO A 185 9.824 106.700 1.568 1.00 16.80 C ATOM 1269 N THR A 186 6.375 103.720 2.207 1.00 27.48 N ATOM 1270 CA THR A 186 5.696 103.153 3.363 1.00 33.07 C ATOM 1271 C THR A 186 6.061 101.694 3.570 1.00 34.75 C ATOM 1272 O THR A 186 6.568 101.022 2.669 1.00 32.08 O ATOM 1273 CB THR A 186 4.166 103.286 3.259 1.00 32.22 C ATOM 1274 OG1 THR A 186 3.732 102.886 1.952 1.00 36.08 O ATOM 1275 CG2 THR A 186 3.749 104.732 3.511 1.00 38.58 C ATOM 1276 N ARG A 187 5.816 101.229 4.786 1.00 44.87 N ATOM 1277 CA ARG A 187 5.973 99.832 5.137 1.00 43.07 C ATOM 1278 C ARG A 187 5.373 98.966 4.034 1.00 37.83 C ATOM 1279 O ARG A 187 5.965 97.968 3.617 1.00 38.09 O ATOM 1280 CB ARG A 187 5.284 99.578 6.476 1.00 50.34 C ATOM 1281 CG ARG A 187 5.583 98.244 7.094 1.00 47.41 C ATOM 1282 CD ARG A 187 4.876 98.104 8.420 1.00 41.80 C ATOM 1283 NE ARG A 187 4.792 96.700 8.799 1.00 46.85 N ATOM 1284 CZ ARG A 187 3.830 95.880 8.392 1.00 45.96 C ATOM 1285 NH1 ARG A 187 2.860 96.332 7.599 1.00 36.58 N ATOM 1286 NH2 ARG A 187 3.836 94.612 8.782 1.00 39.26 N ATOM 1287 N GLY A 188 4.211 99.372 3.536 1.00 33.64 N ATOM 1288 CA GLY A 188 3.578 98.673 2.432 1.00 35.77 C ATOM 1289 C GLY A 188 4.398 98.625 1.155 1.00 32.67 C ATOM 1290 O GLY A 188 4.489 97.582 0.506 1.00 41.49 O ATOM 1291 N THR A 189 5.000 99.753 0.787 1.00 39.71 N ATOM 1292 CA THR A 189 5.745 99.868 -0.477 1.00 28.67 C ATOM 1293 C THR A 189 7.124 99.202 -0.426 1.00 37.17 C ATOM 1294 O THR A 189 7.682 98.801 -1.448 1.00 39.59 O ATOM 1295 CB THR A 189 5.908 101.349 -0.876 1.00 43.81 C ATOM 1296 OG1 THR A 189 6.706 102.021 0.109 1.00 44.80 O ATOM 1297 CG2 THR A 189 4.544 102.034 -0.939 1.00 48.17 C ATOM 1298 N LEU A 190 7.665 99.081 0.778 1.00 31.62 N ATOM 1299 CA LEU A 190 8.974 98.486 0.976 1.00 33.39 C ATOM 1300 C LEU A 190 8.916 96.944 1.086 1.00 41.54 C ATOM 1301 O LEU A 190 9.945 96.263 1.006 1.00 29.25 O ATOM 1302 CB LEU A 190 9.629 99.108 2.221 1.00 22.64 C ATOM 1303 CG LEU A 190 9.817 100.631 2.138 1.00 29.54 C ATOM 1304 CD1 LEU A 190 10.263 101.246 3.461 1.00 18.32 C ATOM 1305 CD2 LEU A 190 10.782 100.997 1.010 1.00 22.14 C ATOM 1306 N THR A 191 7.716 96.394 1.254 1.00 33.76 N ATOM 1307 CA THR A 191 7.578 94.952 1.500 1.00 50.59 C ATOM 1308 C THR A 191 8.293 94.045 0.486 1.00 44.86 C ATOM 1309 O THR A 191 8.098 94.168 -0.723 1.00 41.96 O ATOM 1310 CB THR A 191 6.099 94.519 1.577 1.00 45.69 C ATOM 1311 OG1 THR A 191 5.484 95.118 2.723 1.00 49.01 O ATOM 1312 CG2 THR A 191 5.998 93.001 1.697 1.00 57.26 C ATOM 1313 N SER A 192 9.118 93.131 0.992 1.00 50.69 N ATOM 1314 CA SER A 192 9.709 92.087 0.156 1.00 52.83 C ATOM 1315 C SER A 192 10.610 92.662 -0.942 1.00 52.09 C ATOM 1316 O SER A 192 10.906 92.003 -1.943 1.00 45.86 O ATOM 1317 CB SER A 192 8.596 91.228 -0.455 1.00 53.88 C ATOM 1318 OG SER A 192 9.114 90.263 -1.350 1.00 62.30 O ATOM 1319 N LEU A 193 11.060 93.891 -0.729 1.00 45.35 N ATOM 1320 CA LEU A 193 11.825 94.618 -1.727 1.00 31.55 C ATOM 1321 C LEU A 193 13.167 93.958 -2.018 1.00 29.81 C ATOM 1322 O LEU A 193 13.606 93.924 -3.162 1.00 31.16 O ATOM 1323 CB LEU A 193 12.024 96.057 -1.260 1.00 35.48 C ATOM 1324 CG LEU A 193 12.430 97.127 -2.271 1.00 36.31 C ATOM 1325 CD1 LEU A 193 11.502 97.130 -3.456 1.00 27.06 C ATOM 1326 CD2 LEU A 193 12.434 98.482 -1.586 1.00 32.01 C ATOM 1327 N PHE A 194 13.818 93.425 -0.987 1.00 37.17 N ATOM 1328 CA PHE A 194 15.140 92.825 -1.175 1.00 36.63 C ATOM 1329 C PHE A 194 15.093 91.454 -1.879 1.00 37.46 C ATOM 1330 O PHE A 194 16.131 90.884 -2.199 1.00 33.72 O ATOM 1331 CB PHE A 194 15.908 92.721 0.155 1.00 37.00 C ATOM 1332 CG PHE A 194 16.366 94.049 0.719 1.00 31.39 C ATOM 1333 CD1 PHE A 194 16.117 95.233 0.058 1.00 36.84 C ATOM 1334 CD2 PHE A 194 17.047 94.102 1.925 1.00 47.50 C ATOM 1335 CE1 PHE A 194 16.532 96.450 0.587 1.00 32.03 C ATOM 1336 CE2 PHE A 194 17.464 95.316 2.463 1.00 42.38 C ATOM 1337 CZ PHE A 194 17.202 96.492 1.785 1.00 34.80 C ATOM 1338 N GLN A 195 13.895 90.937 -2.133 1.00 37.74 N ATOM 1339 CA GLN A 195 13.756 89.646 -2.801 1.00 41.60 C ATOM 1340 C GLN A 195 13.576 89.764 -4.310 1.00 43.09 C ATOM 1341 O GLN A 195 13.505 88.754 -5.014 1.00 37.49 O ATOM 1342 CB GLN A 195 12.583 88.852 -2.212 1.00 42.69 C ATOM 1343 CG GLN A 195 12.937 88.053 -0.968 1.00 47.45 C ATOM 1344 CD GLN A 195 13.420 88.927 0.177 1.00 49.20 C ATOM 1345 OE1 GLN A 195 12.631 89.633 0.806 1.00 47.47 O ATOM 1346 NE2 GLN A 195 14.722 88.877 0.456 1.00 49.07 N ATOM 1347 N GLU A 196 13.502 90.990 -4.813 1.00 40.47 N ATOM 1348 CA GLU A 196 13.191 91.181 -6.226 1.00 34.08 C ATOM 1349 C GLU A 196 14.370 90.905 -7.143 1.00 29.46 C ATOM 1350 O GLU A 196 15.507 90.797 -6.697 1.00 27.57 O ATOM 1351 CB GLU A 196 12.633 92.574 -6.469 1.00 33.52 C ATOM 1352 CG GLU A 196 11.315 92.798 -5.762 1.00 46.40 C ATOM 1353 CD GLU A 196 10.485 93.890 -6.402 1.00 62.07 C ATOM 1354 OE1 GLU A 196 9.242 93.737 -6.438 1.00 65.53 O ATOM 1355 OE2 GLU A 196 11.070 94.898 -6.867 1.00 52.25 O ATOM 1356 N ASP A 197 14.081 90.764 -8.431 1.00 30.50 N ATOM 1357 CA ASP A 197 15.123 90.590 -9.423 1.00 28.69 C ATOM 1358 C ASP A 197 16.031 91.805 -9.442 1.00 33.60 C ATOM 1359 O ASP A 197 15.611 92.918 -9.110 1.00 25.73 O ATOM 1360 CB ASP A 197 14.515 90.394 -10.807 1.00 37.06 C ATOM 1361 CG ASP A 197 13.732 89.101 -10.925 1.00 49.62 C ATOM 1362 OD1 ASP A 197 13.921 88.196 -10.080 1.00 46.03 O ATOM 1363 OD2 ASP A 197 12.934 88.990 -11.878 1.00 58.23 O ATOM 1364 N LEU A 198 17.275 91.580 -9.843 1.00 31.29 N ATOM 1365 CA LEU A 198 18.264 92.635 -9.938 1.00 29.94 C ATOM 1366 C LEU A 198 18.141 93.349 -11.279 1.00 35.24 C ATOM 1367 O LEU A 198 18.089 92.714 -12.337 1.00 41.09 O ATOM 1368 CB LEU A 198 19.660 92.044 -9.781 1.00 31.26 C ATOM 1369 CG LEU A 198 19.875 91.243 -8.496 1.00 27.86 C ATOM 1370 CD1 LEU A 198 21.182 90.465 -8.559 1.00 28.42 C ATOM 1371 CD2 LEU A 198 19.837 92.166 -7.288 1.00 24.65 C ATOM 1372 N LYS A 199 18.093 94.673 -11.229 1.00 31.69 N ATOM 1373 CA LYS A 199 17.963 95.491 -12.432 1.00 36.50 C ATOM 1374 C LYS A 199 19.061 96.559 -12.478 1.00 28.11 C ATOM 1375 O LYS A 199 19.275 97.276 -11.504 1.00 27.87 O ATOM 1376 CB LYS A 199 16.585 96.150 -12.437 1.00 29.34 C ATOM 1377 CG LYS A 199 16.195 96.835 -13.725 1.00 35.13 C ATOM 1378 CD LYS A 199 14.839 97.524 -13.546 1.00 45.33 C ATOM 1379 CE LYS A 199 14.332 98.130 -14.849 1.00 46.39 C ATOM 1380 NZ LYS A 199 14.247 97.093 -15.914 1.00 41.96 N ATOM 1381 N CYS A 200 19.766 96.654 -13.600 1.00 28.34 N ATOM 1382 CA CYS A 200 20.733 97.729 -13.787 1.00 26.26 C ATOM 1383 C CYS A 200 20.052 99.091 -13.680 1.00 32.08 C ATOM 1384 O CYS A 200 19.052 99.344 -14.350 1.00 33.61 O ATOM 1385 CB CYS A 200 21.416 97.615 -15.141 1.00 24.94 C ATOM 1386 SG CYS A 200 22.648 98.901 -15.426 1.00 25.29 S ATOM 1387 N TRP A 201 20.594 99.963 -12.834 1.00 27.45 N ATOM 1388 CA TRP A 201 20.007 101.278 -12.602 1.00 27.75 C ATOM 1389 C TRP A 201 20.164 102.165 -13.843 1.00 27.21 C ATOM 1390 O TRP A 201 19.374 103.071 -14.074 1.00 31.41 O ATOM 1391 CB TRP A 201 20.654 101.945 -11.376 1.00 27.88 C ATOM 1392 CG TRP A 201 22.111 102.203 -11.583 1.00 27.78 C ATOM 1393 CD1 TRP A 201 23.149 101.388 -11.223 1.00 23.91 C ATOM 1394 CD2 TRP A 201 22.695 103.330 -12.248 1.00 22.86 C ATOM 1395 NE1 TRP A 201 24.340 101.944 -11.614 1.00 27.51 N ATOM 1396 CE2 TRP A 201 24.092 103.135 -12.248 1.00 24.83 C ATOM 1397 CE3 TRP A 201 22.172 104.484 -12.847 1.00 21.13 C ATOM 1398 CZ2 TRP A 201 24.978 104.059 -12.814 1.00 22.10 C ATOM 1399 CZ3 TRP A 201 23.053 105.401 -13.410 1.00 18.44 C ATOM 1400 CH2 TRP A 201 24.439 105.182 -13.386 1.00 22.41 C ATOM 1401 N ARG A 202 21.176 101.886 -14.654 1.00 26.00 N ATOM 1402 CA ARG A 202 21.492 102.739 -15.793 1.00 26.78 C ATOM 1403 C ARG A 202 20.765 102.374 -17.099 1.00 39.37 C ATOM 1404 O ARG A 202 20.273 103.260 -17.811 1.00 34.04 O ATOM 1405 CB ARG A 202 23.007 102.767 -16.026 1.00 21.58 C ATOM 1406 CG ARG A 202 23.462 103.858 -16.993 1.00 25.03 C ATOM 1407 CD ARG A 202 24.986 104.049 -16.952 1.00 29.99 C ATOM 1408 NE ARG A 202 25.433 105.158 -17.798 1.00 31.69 N ATOM 1409 CZ ARG A 202 26.162 105.020 -18.902 1.00 26.38 C ATOM 1410 NH1 ARG A 202 26.549 103.814 -19.301 1.00 30.73 N ATOM 1411 NH2 ARG A 202 26.519 106.091 -19.601 1.00 28.54 N ATOM 1412 N CYS A 203 20.700 101.084 -17.426 1.00 28.61 N ATOM 1413 CA CYS A 203 20.125 100.683 -18.713 1.00 27.63 C ATOM 1414 C CYS A 203 18.860 99.837 -18.620 1.00 36.10 C ATOM 1415 O CYS A 203 18.234 99.568 -19.639 1.00 38.49 O ATOM 1416 CB CYS A 203 21.146 99.931 -19.551 1.00 26.95 C ATOM 1417 SG CYS A 203 21.182 98.191 -19.134 1.00 35.70 S ATOM 1418 N GLY A 204 18.484 99.410 -17.419 1.00 35.16 N ATOM 1419 CA GLY A 204 17.263 98.638 -17.248 1.00 32.62 C ATOM 1420 C GLY A 204 17.366 97.122 -17.400 1.00 40.38 C ATOM 1421 O GLY A 204 16.400 96.402 -17.114 1.00 37.31 O ATOM 1422 N GLU A 205 18.519 96.624 -17.844 1.00 32.17 N ATOM 1423 CA GLU A 205 18.709 95.181 -17.987 1.00 34.56 C ATOM 1424 C GLU A 205 18.493 94.428 -16.673 1.00 35.69 C ATOM 1425 O GLU A 205 18.835 94.922 -15.597 1.00 32.02 O ATOM 1426 CB GLU A 205 20.095 94.861 -18.550 1.00 35.37 C ATOM 1427 CG GLU A 205 20.291 93.388 -18.878 1.00 37.22 C ATOM 1428 CD GLU A 205 21.632 93.103 -19.522 1.00 42.10 C ATOM 1429 OE1 GLU A 205 22.279 94.054 -20.012 1.00 53.57 O ATOM 1430 OE2 GLU A 205 22.045 91.923 -19.533 1.00 46.67 O ATOM 1431 N THR A 206 17.924 93.227 -16.777 1.00 36.85 N ATOM 1432 CA THR A 206 17.588 92.403 -15.613 1.00 36.10 C ATOM 1433 C THR A 206 18.542 91.214 -15.463 1.00 35.77 C ATOM 1434 O THR A 206 19.102 90.725 -16.447 1.00 30.33 O ATOM 1435 CB THR A 206 16.140 91.891 -15.697 1.00 43.23 C ATOM 1436 OG1 THR A 206 15.951 91.204 -16.940 1.00 49.82 O ATOM 1437 CG2 THR A 206 15.162 93.061 -15.623 1.00 40.13 C ATOM 1438 N PHE A 207 18.736 90.753 -14.231 1.00 33.59 N ATOM 1439 CA PHE A 207 19.720 89.698 -13.978 1.00 35.46 C ATOM 1440 C PHE A 207 19.206 88.628 -13.020 1.00 35.85 C ATOM 1441 O PHE A 207 19.983 87.827 -12.495 1.00 33.06 O ATOM 1442 CB PHE A 207 21.029 90.303 -13.455 1.00 29.08 C ATOM 1443 CG PHE A 207 21.731 91.169 -14.458 1.00 28.98 C ATOM 1444 CD1 PHE A 207 22.641 90.623 -15.342 1.00 24.29 C ATOM 1445 CD2 PHE A 207 21.464 92.527 -14.529 1.00 28.68 C ATOM 1446 CE1 PHE A 207 23.283 91.417 -16.279 1.00 31.83 C ATOM 1447 CE2 PHE A 207 22.095 93.320 -15.460 1.00 30.70 C ATOM 1448 CZ PHE A 207 23.007 92.768 -16.339 1.00 30.61 C ATOM 1449 N GLY A 208 17.894 88.610 -12.804 1.00 34.23 N ATOM 1450 CA GLY A 208 17.315 87.692 -11.847 1.00 32.80 C ATOM 1451 C GLY A 208 18.000 87.897 -10.511 1.00 40.29 C ATOM 1452 O GLY A 208 18.095 89.020 -10.020 1.00 37.17 O ATOM 1453 N ARG A 209 18.497 86.815 -9.925 1.00 38.97 N ATOM 1454 CA ARG A 209 19.223 86.908 -8.670 1.00 31.99 C ATOM 1455 C ARG A 209 20.702 86.610 -8.884 1.00 30.03 C ATOM 1456 O ARG A 209 21.417 86.248 -7.952 1.00 30.92 O ATOM 1457 CB ARG A 209 18.613 85.960 -7.638 1.00 31.92 C ATOM 1458 CG ARG A 209 17.156 86.264 -7.320 1.00 29.29 C ATOM 1459 CD ARG A 209 16.984 87.589 -6.570 1.00 28.25 C ATOM 1460 NE ARG A 209 17.590 87.540 -5.245 1.00 33.39 N ATOM 1461 CZ ARG A 209 17.531 88.517 -4.341 1.00 35.16 C ATOM 1462 NH1 ARG A 209 16.895 89.649 -4.606 1.00 23.70 N ATOM 1463 NH2 ARG A 209 18.117 88.361 -3.163 1.00 27.80 N ATOM 1464 N HIS A 210 21.157 86.770 -10.121 1.00 29.89 N ATOM 1465 CA HIS A 210 22.554 86.528 -10.459 1.00 35.68 C ATOM 1466 C HIS A 210 23.420 87.728 -10.081 1.00 34.07 C ATOM 1467 O HIS A 210 23.878 88.479 -10.943 1.00 29.44 O ATOM 1468 CB HIS A 210 22.695 86.213 -11.951 1.00 33.06 C ATOM 1469 CG HIS A 210 21.909 85.017 -12.391 1.00 46.41 C ATOM 1470 ND1 HIS A 210 22.441 83.746 -12.419 1.00 49.72 N ATOM 1471 CD2 HIS A 210 20.628 84.897 -12.815 1.00 49.97 C ATOM 1472 CE1 HIS A 210 21.523 82.895 -12.843 1.00 52.71 C ATOM 1473 NE2 HIS A 210 20.414 83.568 -13.090 1.00 57.79 N ATOM 1474 N PHE A 211 23.646 87.899 -8.784 1.00 32.63 N ATOM 1475 CA PHE A 211 24.371 89.064 -8.291 1.00 27.83 C ATOM 1476 C PHE A 211 25.728 89.258 -8.962 1.00 26.64 C ATOM 1477 O PHE A 211 26.106 90.372 -9.305 1.00 27.93 O ATOM 1478 CB PHE A 211 24.538 88.993 -6.780 1.00 32.61 C ATOM 1479 CG PHE A 211 25.356 90.114 -6.222 1.00 27.67 C ATOM 1480 CD1 PHE A 211 24.825 91.386 -6.121 1.00 27.03 C ATOM 1481 CD2 PHE A 211 26.658 89.902 -5.822 1.00 27.60 C ATOM 1482 CE1 PHE A 211 25.574 92.420 -5.626 1.00 31.02 C ATOM 1483 CE2 PHE A 211 27.416 90.932 -5.316 1.00 30.95 C ATOM 1484 CZ PHE A 211 26.876 92.195 -5.221 1.00 33.00 C ATOM 1485 N THR A 212 26.453 88.164 -9.145 1.00 31.58 N ATOM 1486 CA THR A 212 27.783 88.194 -9.737 1.00 30.70 C ATOM 1487 C THR A 212 27.760 88.708 -11.171 1.00 31.82 C ATOM 1488 O THR A 212 28.740 89.296 -11.639 1.00 28.86 O ATOM 1489 CB THR A 212 28.431 86.790 -9.704 1.00 37.15 C ATOM 1490 OG1 THR A 212 29.043 86.581 -8.426 1.00 40.56 O ATOM 1491 CG2 THR A 212 29.486 86.653 -10.786 1.00 35.71 C ATOM 1492 N LYS A 213 26.643 88.475 -11.861 1.00 29.12 N ATOM 1493 CA LYS A 213 26.470 88.932 -13.238 1.00 31.60 C ATOM 1494 C LYS A 213 26.206 90.432 -13.276 1.00 26.97 C ATOM 1495 O LYS A 213 26.747 91.150 -14.118 1.00 25.93 O ATOM 1496 CB LYS A 213 25.327 88.176 -13.926 1.00 39.09 C ATOM 1497 CG LYS A 213 25.690 86.771 -14.396 1.00 41.24 C ATOM 1498 N LEU A 214 25.362 90.891 -12.363 1.00 24.42 N ATOM 1499 CA LEU A 214 25.151 92.318 -12.161 1.00 28.37 C ATOM 1500 C LEU A 214 26.495 93.015 -11.915 1.00 28.21 C ATOM 1501 O LEU A 214 26.812 94.005 -12.576 1.00 27.50 O ATOM 1502 CB LEU A 214 24.192 92.557 -10.989 1.00 26.51 C ATOM 1503 CG LEU A 214 23.915 94.023 -10.635 1.00 30.37 C ATOM 1504 CD1 LEU A 214 23.057 94.691 -11.705 1.00 22.44 C ATOM 1505 CD2 LEU A 214 23.253 94.134 -9.280 1.00 22.61 C ATOM 1506 N LYS A 215 27.292 92.482 -10.987 1.00 26.27 N ATOM 1507 CA LYS A 215 28.583 93.090 -10.645 1.00 31.10 C ATOM 1508 C LYS A 215 29.406 93.370 -11.887 1.00 28.32 C ATOM 1509 O LYS A 215 29.904 94.478 -12.075 1.00 24.87 O ATOM 1510 CB LYS A 215 29.405 92.187 -9.721 1.00 26.02 C ATOM 1511 CG LYS A 215 28.869 92.052 -8.315 1.00 32.15 C ATOM 1512 CD LYS A 215 29.442 93.115 -7.400 1.00 39.41 C ATOM 1513 CE LYS A 215 30.923 92.903 -7.147 1.00 27.60 C ATOM 1514 NZ LYS A 215 31.468 94.018 -6.313 1.00 22.60 N ATOM 1515 N ALA A 216 29.557 92.347 -12.721 1.00 26.35 N ATOM 1516 CA ALA A 216 30.377 92.454 -13.915 1.00 30.19 C ATOM 1517 C ALA A 216 29.764 93.473 -14.867 1.00 24.26 C ATOM 1518 O ALA A 216 30.468 94.231 -15.534 1.00 22.30 O ATOM 1519 CB ALA A 216 30.512 91.092 -14.589 1.00 23.56 C ATOM 1520 N HIS A 217 28.441 93.490 -14.918 1.00 20.32 N ATOM 1521 CA HIS A 217 27.750 94.460 -15.743 1.00 29.61 C ATOM 1522 C HIS A 217 27.961 95.894 -15.229 1.00 29.82 C ATOM 1523 O HIS A 217 28.199 96.803 -16.018 1.00 25.64 O ATOM 1524 CB HIS A 217 26.265 94.134 -15.838 1.00 23.60 C ATOM 1525 CG HIS A 217 25.518 95.036 -16.767 1.00 33.97 C ATOM 1526 ND1 HIS A 217 25.643 94.957 -18.137 1.00 33.59 N ATOM 1527 CD2 HIS A 217 24.655 96.051 -16.524 1.00 28.04 C ATOM 1528 CE1 HIS A 217 24.877 95.874 -18.699 1.00 35.71 C ATOM 1529 NE2 HIS A 217 24.267 96.551 -17.743 1.00 31.60 N ATOM 1530 N LEU A 218 27.876 96.091 -13.914 1.00 22.65 N ATOM 1531 CA LEU A 218 28.107 97.414 -13.335 1.00 23.80 C ATOM 1532 C LEU A 218 29.480 97.930 -13.735 1.00 26.16 C ATOM 1533 O LEU A 218 29.638 99.101 -14.062 1.00 23.81 O ATOM 1534 CB LEU A 218 27.962 97.389 -11.808 1.00 18.32 C ATOM 1535 CG LEU A 218 26.526 97.098 -11.358 1.00 19.86 C ATOM 1536 CD1 LEU A 218 26.445 96.743 -9.898 1.00 18.33 C ATOM 1537 CD2 LEU A 218 25.629 98.291 -11.666 1.00 25.30 C ATOM 1538 N GLN A 219 30.471 97.048 -13.732 1.00 23.43 N ATOM 1539 CA GLN A 219 31.816 97.453 -14.107 1.00 26.41 C ATOM 1540 C GLN A 219 31.831 97.993 -15.534 1.00 28.04 C ATOM 1541 O GLN A 219 32.437 99.031 -15.804 1.00 30.72 O ATOM 1542 CB GLN A 219 32.802 96.294 -13.964 1.00 27.12 C ATOM 1543 CG GLN A 219 34.201 96.644 -14.431 1.00 29.04 C ATOM 1544 CD GLN A 219 34.870 97.702 -13.567 1.00 30.57 C ATOM 1545 OE1 GLN A 219 35.204 98.791 -14.041 1.00 32.19 O ATOM 1546 NE2 GLN A 219 35.092 97.375 -12.298 1.00 26.80 N ATOM 1547 N GLU A 220 31.144 97.292 -16.434 1.00 27.17 N ATOM 1548 CA GLU A 220 31.068 97.686 -17.840 1.00 27.60 C ATOM 1549 C GLU A 220 30.330 99.011 -17.988 1.00 27.22 C ATOM 1550 O GLU A 220 30.713 99.856 -18.793 1.00 28.67 O ATOM 1551 CB GLU A 220 30.336 96.622 -18.667 1.00 30.18 C ATOM 1552 CG GLU A 220 30.984 95.238 -18.707 1.00 40.29 C ATOM 1553 CD GLU A 220 30.024 94.164 -19.240 1.00 50.39 C ATOM 1554 OE1 GLU A 220 29.301 94.431 -20.230 1.00 45.75 O ATOM 1555 OE2 GLU A 220 29.979 93.056 -18.656 1.00 50.42 O ATOM 1556 N GLU A 221 29.253 99.170 -17.226 1.00 23.79 N ATOM 1557 CA GLU A 221 28.474 100.396 -17.240 1.00 23.71 C ATOM 1558 C GLU A 221 29.340 101.565 -16.807 1.00 27.25 C ATOM 1559 O GLU A 221 29.213 102.666 -17.338 1.00 26.46 O ATOM 1560 CB GLU A 221 27.265 100.293 -16.302 1.00 21.96 C ATOM 1561 CG GLU A 221 26.086 99.521 -16.858 1.00 22.77 C ATOM 1562 CD GLU A 221 25.490 100.166 -18.105 1.00 33.33 C ATOM 1563 OE1 GLU A 221 26.149 101.025 -18.733 1.00 35.25 O ATOM 1564 OE2 GLU A 221 24.353 99.813 -18.462 1.00 31.88 O ATOM 1565 N TYR A 222 30.221 101.329 -15.838 1.00 23.71 N ATOM 1566 CA TYR A 222 31.071 102.402 -15.338 1.00 24.15 C ATOM 1567 C TYR A 222 32.121 102.805 -16.369 1.00 26.38 C ATOM 1568 O TYR A 222 32.334 103.986 -16.616 1.00 24.54 O ATOM 1569 CB TYR A 222 31.729 102.039 -14.004 1.00 21.49 C ATOM 1570 CG TYR A 222 32.789 103.035 -13.596 1.00 23.92 C ATOM 1571 CD1 TYR A 222 32.439 104.278 -13.093 1.00 19.35 C ATOM 1572 CD2 TYR A 222 34.141 102.741 -13.740 1.00 23.52 C ATOM 1573 CE1 TYR A 222 33.392 105.191 -12.730 1.00 20.14 C ATOM 1574 CE2 TYR A 222 35.110 103.655 -13.381 1.00 26.83 C ATOM 1575 CZ TYR A 222 34.729 104.881 -12.869 1.00 29.50 C ATOM 1576 OH TYR A 222 35.683 105.806 -12.499 1.00 26.76 O ATOM 1577 N ASP A 223 32.769 101.817 -16.976 1.00 27.38 N ATOM 1578 CA ASP A 223 33.752 102.090 -18.011 1.00 25.21 C ATOM 1579 C ASP A 223 33.117 102.840 -19.170 1.00 27.96 C ATOM 1580 O ASP A 223 33.725 103.746 -19.738 1.00 29.16 O ATOM 1581 CB ASP A 223 34.399 100.795 -18.500 1.00 22.65 C ATOM 1582 CG ASP A 223 35.237 100.135 -17.427 1.00 37.81 C ATOM 1583 OD1 ASP A 223 35.857 100.884 -16.634 1.00 39.91 O ATOM 1584 OD2 ASP A 223 35.267 98.882 -17.365 1.00 40.68 O ATOM 1585 N ASP A 224 31.888 102.472 -19.509 1.00 25.65 N ATOM 1586 CA ASP A 224 31.194 103.135 -20.598 1.00 29.69 C ATOM 1587 C ASP A 224 30.909 104.589 -20.238 1.00 27.57 C ATOM 1588 O ASP A 224 31.183 105.489 -21.016 1.00 26.07 O ATOM 1589 CB ASP A 224 29.894 102.408 -20.952 1.00 31.37 C ATOM 1590 CG ASP A 224 29.157 103.075 -22.096 1.00 43.09 C ATOM 1591 OD1 ASP A 224 29.571 102.868 -23.260 1.00 48.86 O ATOM 1592 OD2 ASP A 224 28.180 103.819 -21.836 1.00 36.78 O ATOM 1593 N TRP A 225 30.363 104.806 -19.046 1.00 28.88 N ATOM 1594 CA TRP A 225 30.057 106.149 -18.582 1.00 26.87 C ATOM 1595 C TRP A 225 31.327 107.007 -18.462 1.00 26.74 C ATOM 1596 O TRP A 225 31.347 108.158 -18.873 1.00 25.44 O ATOM 1597 CB TRP A 225 29.302 106.101 -17.247 1.00 24.96 C ATOM 1598 CG TRP A 225 29.081 107.453 -16.658 1.00 29.23 C ATOM 1599 CD1 TRP A 225 28.009 108.276 -16.862 1.00 26.06 C ATOM 1600 CD2 TRP A 225 29.972 108.162 -15.786 1.00 25.43 C ATOM 1601 NE1 TRP A 225 28.174 109.444 -16.161 1.00 22.64 N ATOM 1602 CE2 TRP A 225 29.372 109.399 -15.495 1.00 21.78 C ATOM 1603 CE3 TRP A 225 31.214 107.863 -15.218 1.00 24.98 C ATOM 1604 CZ2 TRP A 225 29.969 110.339 -14.655 1.00 23.96 C ATOM 1605 CZ3 TRP A 225 31.804 108.797 -14.386 1.00 27.04 C ATOM 1606 CH2 TRP A 225 31.181 110.023 -14.118 1.00 24.94 C ATOM 1607 N LEU A 226 32.383 106.441 -17.898 1.00 26.86 N ATOM 1608 CA LEU A 226 33.634 107.165 -17.746 1.00 27.08 C ATOM 1609 C LEU A 226 34.187 107.601 -19.102 1.00 30.93 C ATOM 1610 O LEU A 226 34.595 108.748 -19.281 1.00 28.04 O ATOM 1611 CB LEU A 226 34.672 106.302 -17.024 1.00 21.92 C ATOM 1612 CG LEU A 226 35.978 107.037 -16.705 1.00 29.85 C ATOM 1613 CD1 LEU A 226 35.700 108.160 -15.707 1.00 28.06 C ATOM 1614 CD2 LEU A 226 37.038 106.098 -16.160 1.00 26.18 C ATOM 1615 N ASP A 227 34.202 106.672 -20.050 1.00 34.00 N ATOM 1616 CA ASP A 227 34.778 106.924 -21.362 1.00 35.69 C ATOM 1617 C ASP A 227 34.010 108.026 -22.097 1.00 33.09 C ATOM 1618 O ASP A 227 34.593 108.830 -22.819 1.00 27.15 O ATOM 1619 CB ASP A 227 34.808 105.626 -22.176 1.00 36.40 C ATOM 1620 CG ASP A 227 35.476 105.796 -23.527 1.00 55.37 C ATOM 1621 OD1 ASP A 227 36.710 105.603 -23.609 1.00 64.31 O ATOM 1622 OD2 ASP A 227 34.765 106.114 -24.509 1.00 50.75 O ATOM 1623 N LYS A 228 32.700 108.068 -21.889 1.00 33.07 N ATOM 1624 CA LYS A 228 31.845 109.062 -22.534 1.00 32.08 C ATOM 1625 C LYS A 228 31.872 110.398 -21.789 1.00 35.49 C ATOM 1626 O LYS A 228 31.550 111.438 -22.350 1.00 39.81 O ATOM 1627 CB LYS A 228 30.406 108.531 -22.626 1.00 31.74 C ATOM 1628 CG LYS A 228 29.331 109.605 -22.780 1.00 44.00 C ATOM 1629 CD LYS A 228 27.944 109.106 -22.353 1.00 47.50 C ATOM 1630 CE LYS A 228 27.726 109.206 -20.839 1.00 41.40 C ATOM 1631 NZ LYS A 228 27.191 110.538 -20.417 1.00 39.35 N ATOM 1632 N SER A 229 32.270 110.375 -20.524 1.00 36.20 N ATOM 1633 CA SER A 229 32.204 111.578 -19.703 1.00 29.60 C ATOM 1634 C SER A 229 33.516 112.348 -19.619 1.00 39.35 C ATOM 1635 O SER A 229 33.503 113.571 -19.504 1.00 43.49 O ATOM 1636 CB SER A 229 31.697 111.250 -18.297 1.00 27.39 C ATOM 1637 OG SER A 229 30.352 110.801 -18.330 1.00 24.14 O ATOM 1638 N VAL A 230 34.649 111.651 -19.659 1.00 38.46 N ATOM 1639 CA VAL A 230 35.926 112.350 -19.557 1.00 36.58 C ATOM 1640 C VAL A 230 36.048 113.338 -20.715 1.00 48.37 C ATOM 1641 O VAL A 230 36.265 114.534 -20.502 1.00 45.44 O ATOM 1642 CB VAL A 230 37.141 111.391 -19.540 1.00 35.53 C ATOM 1643 CG1 VAL A 230 37.235 110.635 -18.210 1.00 32.29 C ATOM 1644 CG2 VAL A 230 37.074 110.431 -20.702 1.00 38.52 C ATOM 1645 N SER A 231 35.882 112.836 -21.938 1.00 47.96 N TER 1646 SER A 231 ATOM 1647 O5' DC B 1 24.101 96.843 6.629 1.00 47.43 O ATOM 1648 C5' DC B 1 24.522 98.062 7.226 1.00 25.63 C ATOM 1649 C4' DC B 1 25.883 97.909 7.880 1.00 29.79 C ATOM 1650 O4' DC B 1 25.686 97.758 9.305 1.00 33.16 O ATOM 1651 C3' DC B 1 26.719 96.693 7.465 1.00 31.08 C ATOM 1652 O3' DC B 1 27.533 96.993 6.346 1.00 25.55 O ATOM 1653 C2' DC B 1 27.589 96.473 8.695 1.00 24.66 C ATOM 1654 C1' DC B 1 26.613 96.817 9.815 1.00 33.96 C ATOM 1655 N1 DC B 1 25.859 95.648 10.361 1.00 35.50 N ATOM 1656 C2 DC B 1 26.499 94.829 11.295 1.00 38.65 C ATOM 1657 O2 DC B 1 27.666 95.099 11.633 1.00 35.83 O ATOM 1658 N3 DC B 1 25.815 93.773 11.799 1.00 35.29 N ATOM 1659 C4 DC B 1 24.561 93.533 11.406 1.00 36.77 C ATOM 1660 N4 DC B 1 23.939 92.479 11.943 1.00 38.59 N ATOM 1661 C5 DC B 1 23.890 94.358 10.456 1.00 32.85 C ATOM 1662 C6 DC B 1 24.577 95.396 9.964 1.00 35.00 C ATOM 1663 P DC B 2 28.038 95.822 5.369 1.00 26.49 P ATOM 1664 OP1 DC B 2 28.787 96.454 4.255 1.00 26.31 O ATOM 1665 OP2 DC B 2 26.884 94.956 5.058 1.00 26.46 O ATOM 1666 O5' DC B 2 29.057 94.995 6.280 1.00 27.73 O ATOM 1667 C5' DC B 2 30.271 95.560 6.769 1.00 28.44 C ATOM 1668 C4' DC B 2 30.967 94.514 7.614 1.00 33.18 C ATOM 1669 O4' DC B 2 30.055 94.182 8.689 1.00 31.72 O ATOM 1670 C3' DC B 2 31.228 93.211 6.862 1.00 36.26 C ATOM 1671 O3' DC B 2 32.611 93.022 6.532 1.00 42.95 O ATOM 1672 C2' DC B 2 30.769 92.102 7.800 1.00 33.47 C ATOM 1673 C1' DC B 2 30.148 92.810 8.989 1.00 31.17 C ATOM 1674 N1 DC B 2 28.811 92.237 9.282 1.00 34.64 N ATOM 1675 C2 DC B 2 28.749 91.294 10.304 1.00 37.99 C ATOM 1676 O2 DC B 2 29.803 91.029 10.892 1.00 38.94 O ATOM 1677 N3 DC B 2 27.558 90.724 10.625 1.00 37.57 N ATOM 1678 C4 DC B 2 26.463 91.062 9.947 1.00 36.73 C ATOM 1679 N4 DC B 2 25.314 90.467 10.297 1.00 38.62 N ATOM 1680 C5 DC B 2 26.507 92.025 8.891 1.00 33.31 C ATOM 1681 C6 DC B 2 27.690 92.584 8.586 1.00 31.44 C ATOM 1682 P DC B 3 33.045 91.847 5.514 1.00 48.15 P ATOM 1683 OP1 DC B 3 34.173 92.346 4.696 1.00 50.83 O ATOM 1684 OP2 DC B 3 31.825 91.349 4.837 1.00 31.01 O ATOM 1685 O5' DC B 3 33.536 90.659 6.483 1.00 49.02 O ATOM 1686 C5' DC B 3 33.948 90.840 7.839 1.00 38.03 C ATOM 1687 C4' DC B 3 33.880 89.498 8.561 1.00 48.34 C ATOM 1688 O4' DC B 3 32.572 89.313 9.163 1.00 45.70 O ATOM 1689 C3' DC B 3 34.141 88.276 7.674 1.00 46.81 C ATOM 1690 O3' DC B 3 35.260 87.531 8.157 1.00 58.86 O ATOM 1691 C2' DC B 3 32.859 87.448 7.723 1.00 43.97 C ATOM 1692 C1' DC B 3 32.088 88.006 8.914 1.00 41.56 C ATOM 1693 N1 DC B 3 30.617 88.080 8.655 1.00 40.31 N ATOM 1694 C2 DC B 3 29.754 87.390 9.498 1.00 39.36 C ATOM 1695 O2 DC B 3 30.226 86.740 10.437 1.00 43.90 O ATOM 1696 N3 DC B 3 28.426 87.463 9.265 1.00 39.49 N ATOM 1697 C4 DC B 3 27.954 88.173 8.243 1.00 38.90 C ATOM 1698 N4 DC B 3 26.629 88.188 8.072 1.00 34.05 N ATOM 1699 C5 DC B 3 28.816 88.888 7.360 1.00 34.48 C ATOM 1700 C6 DC B 3 30.130 88.808 7.606 1.00 38.44 C ATOM 1701 P DT B 4 35.804 86.254 7.338 1.00 58.09 P ATOM 1702 OP1 DT B 4 37.257 86.136 7.589 1.00 69.07 O ATOM 1703 OP2 DT B 4 35.315 86.354 5.952 1.00 42.99 O ATOM 1704 O5' DT B 4 35.045 85.032 8.018 1.00 48.20 O ATOM 1705 C5' DT B 4 35.046 84.884 9.429 1.00 45.64 C ATOM 1706 C4' DT B 4 34.280 83.614 9.728 1.00 53.13 C ATOM 1707 O4' DT B 4 32.878 83.911 9.941 1.00 51.54 O ATOM 1708 C3' DT B 4 34.363 82.609 8.578 1.00 53.49 C ATOM 1709 O3' DT B 4 35.330 81.595 8.904 1.00 63.41 O ATOM 1710 C2' DT B 4 32.953 82.055 8.445 1.00 52.61 C ATOM 1711 C1' DT B 4 32.074 82.900 9.362 1.00 52.07 C ATOM 1712 N1 DT B 4 30.944 83.518 8.610 1.00 45.41 N ATOM 1713 C2 DT B 4 29.658 83.332 9.060 1.00 47.60 C ATOM 1714 O2 DT B 4 29.387 82.691 10.058 1.00 50.32 O ATOM 1715 N3 DT B 4 28.693 83.934 8.295 1.00 45.22 N ATOM 1716 C4 DT B 4 28.889 84.683 7.153 1.00 38.86 C ATOM 1717 O4 DT B 4 27.961 85.188 6.537 1.00 40.53 O ATOM 1718 C5 DT B 4 30.257 84.830 6.733 1.00 40.79 C ATOM 1719 C7 DT B 4 30.577 85.624 5.502 1.00 38.30 C ATOM 1720 C6 DT B 4 31.210 84.245 7.467 1.00 41.68 C ATOM 1721 P DG B 5 35.338 80.179 8.131 1.00 51.56 P ATOM 1722 OP1 DG B 5 36.523 79.424 8.584 1.00 54.88 O ATOM 1723 OP2 DG B 5 35.137 80.440 6.688 1.00 52.25 O ATOM 1724 O5' DG B 5 34.032 79.435 8.674 1.00 48.01 O ATOM 1725 C5' DG B 5 33.784 79.313 10.063 1.00 49.45 C ATOM 1726 C4' DG B 5 32.390 78.758 10.303 1.00 53.18 C ATOM 1727 O4' DG B 5 31.383 79.601 9.685 1.00 50.52 O ATOM 1728 C3' DG B 5 32.132 77.371 9.732 1.00 57.61 C ATOM 1729 O3' DG B 5 31.195 76.711 10.575 1.00 61.40 O ATOM 1730 C2' DG B 5 31.520 77.676 8.369 1.00 54.34 C ATOM 1731 C1' DG B 5 30.627 78.848 8.754 1.00 53.92 C ATOM 1732 N9 DG B 5 30.282 79.738 7.650 1.00 52.93 N ATOM 1733 C8 DG B 5 31.153 80.315 6.759 1.00 50.93 C ATOM 1734 N7 DG B 5 30.568 81.077 5.879 1.00 48.56 N ATOM 1735 C5 DG B 5 29.224 81.000 6.211 1.00 47.45 C ATOM 1736 C6 DG B 5 28.112 81.621 5.604 1.00 49.45 C ATOM 1737 O6 DG B 5 28.111 82.383 4.626 1.00 51.18 O ATOM 1738 N1 DG B 5 26.920 81.284 6.244 1.00 50.43 N ATOM 1739 C2 DG B 5 26.820 80.449 7.336 1.00 51.56 C ATOM 1740 N2 DG B 5 25.584 80.241 7.817 1.00 47.34 N ATOM 1741 N3 DG B 5 27.862 79.861 7.915 1.00 50.29 N ATOM 1742 C4 DG B 5 29.027 80.182 7.300 1.00 50.25 C TER 1743 DG B 5 ATOM 1744 P DA C 7 31.282 82.844 -9.438 1.00 79.39 P ATOM 1745 OP1 DA C 7 31.086 83.995 -10.351 1.00 65.70 O ATOM 1746 OP2 DA C 7 32.408 82.819 -8.474 1.00 66.37 O ATOM 1747 O5' DA C 7 29.936 82.638 -8.602 1.00 62.11 O ATOM 1748 C5' DA C 7 28.817 82.109 -9.288 1.00 58.05 C ATOM 1749 C4' DA C 7 27.673 81.889 -8.322 1.00 58.31 C ATOM 1750 O4' DA C 7 27.867 80.682 -7.540 1.00 60.28 O ATOM 1751 C3' DA C 7 27.473 83.023 -7.326 1.00 53.46 C ATOM 1752 O3' DA C 7 26.168 83.513 -7.578 1.00 48.34 O ATOM 1753 C2' DA C 7 27.601 82.341 -5.963 1.00 46.97 C ATOM 1754 C1' DA C 7 27.236 80.898 -6.300 1.00 53.81 C ATOM 1755 N9 DA C 7 27.724 79.921 -5.333 1.00 51.03 N ATOM 1756 C8 DA C 7 29.021 79.745 -4.935 1.00 52.38 C ATOM 1757 N7 DA C 7 29.177 78.796 -4.044 1.00 53.59 N ATOM 1758 C5 DA C 7 27.895 78.315 -3.849 1.00 46.29 C ATOM 1759 C6 DA C 7 27.396 77.296 -3.020 1.00 54.53 C ATOM 1760 N6 DA C 7 28.192 76.575 -2.219 1.00 57.59 N ATOM 1761 N1 DA C 7 26.062 77.057 -3.050 1.00 50.88 N ATOM 1762 C2 DA C 7 25.296 77.804 -3.863 1.00 55.13 C ATOM 1763 N3 DA C 7 25.658 78.792 -4.690 1.00 48.01 N ATOM 1764 C4 DA C 7 26.984 78.997 -4.633 1.00 46.00 C ATOM 1765 P DA C 8 25.684 84.919 -6.963 1.00 48.13 P ATOM 1766 OP1 DA C 8 25.361 85.813 -8.089 1.00 46.09 O ATOM 1767 OP2 DA C 8 26.677 85.360 -5.951 1.00 42.08 O ATOM 1768 O5' DA C 8 24.341 84.528 -6.190 1.00 43.46 O ATOM 1769 C5' DA C 8 23.373 83.762 -6.884 1.00 39.19 C ATOM 1770 C4' DA C 8 22.288 83.280 -5.938 1.00 45.25 C ATOM 1771 O4' DA C 8 22.830 82.229 -5.105 1.00 44.23 O ATOM 1772 C3' DA C 8 21.729 84.324 -4.977 1.00 39.63 C ATOM 1773 O3' DA C 8 20.352 84.043 -4.721 1.00 40.70 O ATOM 1774 C2' DA C 8 22.610 84.143 -3.746 1.00 44.64 C ATOM 1775 C1' DA C 8 22.830 82.635 -3.758 1.00 44.20 C ATOM 1776 N9 DA C 8 24.120 82.217 -3.245 1.00 44.61 N ATOM 1777 C8 DA C 8 25.350 82.738 -3.519 1.00 54.14 C ATOM 1778 N7 DA C 8 26.334 82.127 -2.899 1.00 53.50 N ATOM 1779 C5 DA C 8 25.694 81.138 -2.181 1.00 49.73 C ATOM 1780 C6 DA C 8 26.168 80.144 -1.318 1.00 50.02 C ATOM 1781 N6 DA C 8 27.455 79.961 -1.008 1.00 49.07 N ATOM 1782 N1 DA C 8 25.241 79.336 -0.786 1.00 53.42 N ATOM 1783 C2 DA C 8 23.947 79.498 -1.078 1.00 50.45 C ATOM 1784 N3 DA C 8 23.380 80.389 -1.870 1.00 48.57 N ATOM 1785 C4 DA C 8 24.328 81.179 -2.389 1.00 51.89 C ATOM 1786 P DT C 9 19.547 84.876 -3.605 1.00 40.25 P ATOM 1787 OP1 DT C 9 18.127 84.914 -4.006 1.00 42.51 O ATOM 1788 OP2 DT C 9 20.316 86.106 -3.306 1.00 41.25 O ATOM 1789 O5' DT C 9 19.644 83.961 -2.302 1.00 51.70 O ATOM 1790 C5' DT C 9 18.878 82.770 -2.231 1.00 52.33 C ATOM 1791 C4' DT C 9 18.956 82.200 -0.831 1.00 53.43 C ATOM 1792 O4' DT C 9 20.324 81.815 -0.536 1.00 47.44 O ATOM 1793 C3' DT C 9 18.538 83.168 0.273 1.00 59.91 C ATOM 1794 O3' DT C 9 17.677 82.448 1.144 1.00 62.59 O ATOM 1795 C2' DT C 9 19.868 83.557 0.926 1.00 55.31 C ATOM 1796 C1' DT C 9 20.628 82.245 0.770 1.00 50.50 C ATOM 1797 N1 DT C 9 22.110 82.294 0.918 1.00 50.08 N ATOM 1798 C2 DT C 9 22.703 81.313 1.676 1.00 55.06 C ATOM 1799 O2 DT C 9 22.068 80.435 2.221 1.00 59.00 O ATOM 1800 N3 DT C 9 24.065 81.392 1.784 1.00 55.68 N ATOM 1801 C4 DT C 9 24.881 82.343 1.208 1.00 56.62 C ATOM 1802 O4 DT C 9 26.103 82.329 1.359 1.00 55.07 O ATOM 1803 C5 DT C 9 24.192 83.344 0.424 1.00 51.07 C ATOM 1804 C7 DT C 9 24.973 84.433 -0.251 1.00 65.97 C ATOM 1805 C6 DT C 9 22.860 83.277 0.315 1.00 45.89 C ATOM 1806 P DC C 10 16.686 83.226 2.145 1.00 87.57 P ATOM 1807 OP1 DC C 10 15.326 82.671 1.953 1.00 67.64 O ATOM 1808 OP2 DC C 10 16.914 84.681 1.986 1.00 70.62 O ATOM 1809 O5' DC C 10 17.239 82.823 3.597 1.00 79.85 O ATOM 1810 C5' DC C 10 17.704 81.486 3.798 1.00 65.57 C ATOM 1811 C4' DC C 10 18.561 81.346 5.045 1.00 60.86 C ATOM 1812 O4' DC C 10 19.979 81.391 4.734 1.00 61.86 O ATOM 1813 C3' DC C 10 18.358 82.404 6.122 1.00 66.19 C ATOM 1814 O3' DC C 10 18.405 81.739 7.363 1.00 74.31 O ATOM 1815 C2' DC C 10 19.601 83.268 5.972 1.00 65.53 C ATOM 1816 C1' DC C 10 20.583 82.124 5.779 1.00 63.25 C ATOM 1817 N1 DC C 10 21.980 82.515 5.422 1.00 57.71 N ATOM 1818 C2 DC C 10 23.041 81.890 6.085 1.00 55.44 C ATOM 1819 O2 DC C 10 22.805 81.034 6.948 1.00 57.88 O ATOM 1820 N3 DC C 10 24.306 82.244 5.763 1.00 55.86 N ATOM 1821 C4 DC C 10 24.527 83.176 4.839 1.00 48.48 C ATOM 1822 N4 DC C 10 25.797 83.479 4.571 1.00 44.87 N ATOM 1823 C5 DC C 10 23.464 83.827 4.155 1.00 49.50 C ATOM 1824 C6 DC C 10 22.215 83.469 4.473 1.00 55.73 C ATOM 1825 P DA C 11 17.423 82.177 8.553 1.00 77.43 P ATOM 1826 OP1 DA C 11 16.169 81.403 8.415 1.00 65.03 O ATOM 1827 OP2 DA C 11 17.383 83.658 8.589 1.00 68.16 O ATOM 1828 O5' DA C 11 18.190 81.680 9.862 1.00 65.16 O ATOM 1829 C5' DA C 11 18.686 80.360 9.893 1.00 58.03 C ATOM 1830 C4' DA C 11 19.783 80.237 10.933 1.00 71.56 C ATOM 1831 O4' DA C 11 21.071 80.638 10.396 1.00 79.87 O ATOM 1832 C3' DA C 11 19.591 81.061 12.195 1.00 67.27 C ATOM 1833 O3' DA C 11 20.040 80.231 13.242 1.00 71.30 O ATOM 1834 C2' DA C 11 20.492 82.279 11.973 1.00 64.93 C ATOM 1835 C1' DA C 11 21.642 81.686 11.162 1.00 67.60 C ATOM 1836 N9 DA C 11 22.267 82.579 10.186 1.00 63.30 N ATOM 1837 C8 DA C 11 21.609 83.378 9.295 1.00 65.17 C ATOM 1838 N7 DA C 11 22.401 84.067 8.508 1.00 64.36 N ATOM 1839 C5 DA C 11 23.673 83.687 8.901 1.00 56.04 C ATOM 1840 C6 DA C 11 24.947 84.072 8.445 1.00 49.69 C ATOM 1841 N6 DA C 11 25.124 84.956 7.458 1.00 45.48 N ATOM 1842 N1 DA C 11 26.021 83.514 9.047 1.00 52.16 N ATOM 1843 C2 DA C 11 25.821 82.632 10.037 1.00 52.17 C ATOM 1844 N3 DA C 11 24.668 82.200 10.551 1.00 56.48 N ATOM 1845 C4 DA C 11 23.616 82.767 9.933 1.00 58.15 C ATOM 1846 P DG C 12 20.088 80.779 14.747 1.00 81.58 P ATOM 1847 OP1 DG C 12 19.893 79.627 15.654 1.00 84.63 O ATOM 1848 OP2 DG C 12 19.194 81.957 14.831 1.00 66.21 O ATOM 1849 O5' DG C 12 21.604 81.262 14.917 1.00 69.98 O ATOM 1850 C5' DG C 12 22.659 80.321 14.724 1.00 71.54 C ATOM 1851 C4' DG C 12 23.990 80.916 15.145 1.00 72.05 C ATOM 1852 O4' DG C 12 24.526 81.761 14.093 1.00 67.32 O ATOM 1853 C3' DG C 12 23.909 81.789 16.391 1.00 72.16 C ATOM 1854 O3' DG C 12 25.072 81.587 17.176 1.00 73.50 O ATOM 1855 C2' DG C 12 23.830 83.204 15.820 1.00 64.83 C ATOM 1856 C1' DG C 12 24.711 83.078 14.582 1.00 61.53 C ATOM 1857 N9 DG C 12 24.396 84.040 13.524 1.00 58.52 N ATOM 1858 C8 DG C 12 23.168 84.544 13.166 1.00 58.31 C ATOM 1859 N7 DG C 12 23.221 85.394 12.175 1.00 53.57 N ATOM 1860 C5 DG C 12 24.572 85.455 11.858 1.00 48.85 C ATOM 1861 C6 DG C 12 25.249 86.205 10.867 1.00 45.66 C ATOM 1862 O6 DG C 12 24.782 86.994 10.036 1.00 45.58 O ATOM 1863 N1 DG C 12 26.617 85.968 10.890 1.00 42.52 N ATOM 1864 C2 DG C 12 27.251 85.121 11.761 1.00 47.44 C ATOM 1865 N2 DG C 12 28.580 85.027 11.628 1.00 51.74 N ATOM 1866 N3 DG C 12 26.635 84.410 12.690 1.00 46.79 N ATOM 1867 C4 DG C 12 25.302 84.629 12.678 1.00 49.26 C ATOM 1868 P DG C 13 25.204 82.276 18.623 1.00 79.10 P ATOM 1869 OP1 DG C 13 25.747 81.267 19.559 1.00 68.20 O ATOM 1870 OP2 DG C 13 23.931 82.968 18.920 1.00 73.14 O ATOM 1871 O5' DG C 13 26.307 83.408 18.394 1.00 73.84 O ATOM 1872 C5' DG C 13 27.521 83.071 17.729 1.00 68.00 C ATOM 1873 C4' DG C 13 28.381 84.309 17.580 1.00 64.99 C ATOM 1874 O4' DG C 13 27.975 85.088 16.427 1.00 59.05 O ATOM 1875 C3' DG C 13 28.292 85.268 18.754 1.00 58.10 C ATOM 1876 O3' DG C 13 29.532 85.898 18.848 1.00 69.47 O ATOM 1877 C2' DG C 13 27.236 86.268 18.309 1.00 53.34 C ATOM 1878 C1' DG C 13 27.637 86.394 16.847 1.00 54.44 C ATOM 1879 N9 DG C 13 26.578 86.857 15.967 1.00 50.47 N ATOM 1880 C8 DG C 13 25.226 86.673 16.106 1.00 52.01 C ATOM 1881 N7 DG C 13 24.531 87.200 15.139 1.00 49.99 N ATOM 1882 C5 DG C 13 25.490 87.766 14.308 1.00 48.26 C ATOM 1883 C6 DG C 13 25.336 88.480 13.096 1.00 52.51 C ATOM 1884 O6 DG C 13 24.274 88.755 12.512 1.00 52.24 O ATOM 1885 N1 DG C 13 26.568 88.880 12.568 1.00 42.27 N ATOM 1886 C2 DG C 13 27.787 88.617 13.159 1.00 52.31 C ATOM 1887 N2 DG C 13 28.872 89.079 12.519 1.00 42.24 N ATOM 1888 N3 DG C 13 27.943 87.946 14.300 1.00 46.76 N ATOM 1889 C4 DG C 13 26.754 87.557 14.806 1.00 45.47 C ATOM 1890 P DG C 14 30.005 86.535 20.238 1.00 74.02 P ATOM 1891 OP1 DG C 14 31.071 85.669 20.789 1.00 54.92 O ATOM 1892 OP2 DG C 14 28.788 86.841 21.035 1.00 45.11 O ATOM 1893 O5' DG C 14 30.664 87.925 19.800 1.00 64.54 O ATOM 1894 C5' DG C 14 31.657 87.967 18.776 1.00 58.08 C ATOM 1895 C4' DG C 14 31.731 89.370 18.198 1.00 61.75 C ATOM 1896 O4' DG C 14 30.651 89.572 17.248 1.00 52.10 O ATOM 1897 C3' DG C 14 31.595 90.488 19.232 1.00 63.67 C ATOM 1898 O3' DG C 14 32.494 91.551 18.927 1.00 62.13 O ATOM 1899 C2' DG C 14 30.134 90.914 19.094 1.00 53.30 C ATOM 1900 C1' DG C 14 29.977 90.771 17.584 1.00 52.79 C ATOM 1901 N9 DG C 14 28.607 90.722 17.066 1.00 48.66 N ATOM 1902 C8 DG C 14 27.492 90.096 17.575 1.00 42.16 C ATOM 1903 N7 DG C 14 26.426 90.259 16.837 1.00 43.39 N ATOM 1904 C5 DG C 14 26.863 91.044 15.769 1.00 48.17 C ATOM 1905 C6 DG C 14 26.175 91.562 14.638 1.00 40.21 C ATOM 1906 O6 DG C 14 24.986 91.433 14.319 1.00 39.41 O ATOM 1907 N1 DG C 14 27.015 92.310 13.820 1.00 36.33 N ATOM 1908 C2 DG C 14 28.350 92.531 14.059 1.00 39.89 C ATOM 1909 N2 DG C 14 29.009 93.275 13.163 1.00 44.38 N ATOM 1910 N3 DG C 14 29.005 92.057 15.103 1.00 42.93 N ATOM 1911 C4 DG C 14 28.200 91.329 15.907 1.00 45.39 C TER 1912 DG C 14 HETATM 1913 P AMP A 1 22.590 102.170 7.020 1.00 24.63 P HETATM 1914 O1P AMP A 1 22.632 102.102 8.523 1.00 26.20 O HETATM 1915 O2P AMP A 1 21.882 103.382 6.458 1.00 22.98 O HETATM 1916 O3P AMP A 1 22.311 100.866 6.340 1.00 23.25 O HETATM 1917 O5' AMP A 1 24.072 102.455 6.533 1.00 29.11 O HETATM 1918 C5' AMP A 1 25.177 102.369 7.420 1.00 21.18 C HETATM 1919 C4' AMP A 1 26.463 102.633 6.687 1.00 23.34 C HETATM 1920 O4' AMP A 1 27.555 102.713 7.630 1.00 21.75 O HETATM 1921 C3' AMP A 1 26.845 101.561 5.662 1.00 22.44 C HETATM 1922 O3' AMP A 1 27.026 102.175 4.391 1.00 19.70 O HETATM 1923 C2' AMP A 1 28.186 101.000 6.176 1.00 17.99 C HETATM 1924 O2' AMP A 1 29.107 100.661 5.163 1.00 18.57 O HETATM 1925 C1' AMP A 1 28.700 102.138 7.052 1.00 19.62 C HETATM 1926 N9 AMP A 1 29.577 101.728 8.147 1.00 24.79 N HETATM 1927 C8 AMP A 1 29.424 100.651 8.930 1.00 23.51 C HETATM 1928 N7 AMP A 1 30.374 100.623 9.886 1.00 24.87 N HETATM 1929 C5 AMP A 1 31.154 101.703 9.734 1.00 21.84 C HETATM 1930 C6 AMP A 1 32.343 102.267 10.410 1.00 26.32 C HETATM 1931 N6 AMP A 1 32.896 101.638 11.473 1.00 27.30 N HETATM 1932 N1 AMP A 1 32.852 103.427 9.936 1.00 26.03 N HETATM 1933 C2 AMP A 1 32.304 104.054 8.879 1.00 27.15 C HETATM 1934 N3 AMP A 1 31.231 103.584 8.215 1.00 22.52 N HETATM 1935 C4 AMP A 1 30.623 102.434 8.585 1.00 23.99 C HETATM 1936 C1 BME A 2 19.129 115.036 -4.685 1.00 34.68 C HETATM 1937 C2 BME A 2 18.677 113.621 -4.340 1.00 26.22 C HETATM 1938 O1 BME A 2 20.538 115.104 -4.624 1.00 41.79 O HETATM 1939 S2 BME A 2 19.941 112.416 -4.806 1.00 45.71 S HETATM 1940 C1 BME A 3 20.062 96.765 5.148 1.00 42.46 C HETATM 1941 C2 BME A 3 20.611 97.494 3.931 1.00 37.15 C HETATM 1942 O1 BME A 3 21.115 96.528 6.058 1.00 50.62 O HETATM 1943 S2 BME A 3 22.016 96.617 3.198 1.00 52.62 S HETATM 1944 ZN ZN A 4 23.187 98.415 -17.566 1.00 41.57 ZN HETATM 1945 O HOH A 5 24.271 111.558 13.518 1.00 14.82 O HETATM 1946 O HOH A 6 37.221 119.958 6.231 1.00 15.78 O HETATM 1947 O HOH A 7 25.987 104.469 14.854 1.00 17.25 O HETATM 1948 O HOH A 8 34.466 122.584 0.000 0.50 15.38 O HETATM 1949 O HOH A 9 18.895 108.041 13.261 1.00 15.95 O HETATM 1950 O HOH A 10 20.327 107.356 9.094 1.00 17.19 O HETATM 1951 O HOH A 11 28.119 101.251 -13.019 1.00 17.74 O HETATM 1952 O HOH A 12 20.555 106.240 6.468 1.00 17.97 O HETATM 1953 O HOH A 13 27.918 103.677 -14.657 1.00 19.11 O HETATM 1954 O HOH A 15 40.015 118.202 -7.977 1.00 19.77 O HETATM 1955 O HOH A 16 30.457 96.425 -7.772 1.00 19.86 O HETATM 1956 O HOH A 17 19.999 106.199 11.591 1.00 21.04 O HETATM 1957 O HOH A 18 34.434 121.507 -13.090 1.00 20.66 O HETATM 1958 O HOH A 19 26.183 100.308 2.975 1.00 19.31 O HETATM 1959 O HOH A 21 34.636 107.735 -0.644 1.00 19.70 O HETATM 1960 O HOH A 22 34.768 119.862 17.818 1.00 22.54 O HETATM 1961 O HOH A 23 23.006 104.178 -9.036 1.00 20.06 O HETATM 1962 O HOH A 24 31.362 95.860 -10.166 1.00 22.72 O HETATM 1963 O HOH A 25 42.372 115.684 -7.108 1.00 23.91 O HETATM 1964 O HOH A 26 36.102 100.456 -6.969 1.00 36.37 O HETATM 1965 O HOH A 233 11.910 106.592 -1.544 1.00 23.40 O HETATM 1966 O HOH A 234 24.323 105.651 18.883 1.00 24.07 O HETATM 1967 O HOH A 235 22.775 113.443 9.407 1.00 22.90 O HETATM 1968 O HOH A 236 28.074 119.180 -4.317 1.00 22.88 O HETATM 1969 O HOH A 237 38.264 105.343 -12.624 1.00 24.66 O HETATM 1970 O HOH A 238 10.250 114.822 2.557 1.00 24.38 O HETATM 1971 O HOH A 239 39.609 115.797 -1.079 1.00 24.13 O HETATM 1972 O HOH A 240 23.205 119.260 12.818 1.00 24.06 O HETATM 1973 O HOH A 241 30.802 123.998 -10.445 1.00 24.66 O HETATM 1974 O HOH A 242 12.649 116.394 0.897 1.00 23.91 O HETATM 1975 O HOH A 243 35.071 117.417 19.180 1.00 25.73 O HETATM 1976 O HOH A 244 18.970 124.089 1.498 1.00 24.10 O HETATM 1977 O HOH A 245 41.980 111.780 4.952 1.00 25.80 O HETATM 1978 O HOH A 246 23.716 99.768 4.292 1.00 27.43 O HETATM 1979 O HOH A 247 34.463 122.008 15.482 1.00 25.76 O HETATM 1980 O HOH A 248 34.015 115.789 -17.677 1.00 25.97 O HETATM 1981 O HOH A 249 4.860 116.627 0.000 1.00 26.78 O HETATM 1982 O HOH A 250 39.459 107.564 10.003 1.00 26.91 O HETATM 1983 O HOH A 251 43.167 115.806 -3.023 1.00 25.90 O HETATM 1984 O HOH A 252 21.401 117.418 -2.637 1.00 26.82 O HETATM 1985 O HOH A 253 36.047 105.426 7.352 1.00 27.22 O HETATM 1986 O HOH A 254 17.454 95.554 -8.777 1.00 27.10 O HETATM 1987 O HOH A 255 27.212 125.643 3.062 1.00 28.47 O HETATM 1988 O HOH A 256 15.611 106.020 -4.791 1.00 27.88 O HETATM 1989 O HOH A 257 12.326 108.455 15.403 1.00 28.36 O HETATM 1990 O HOH A 258 42.655 110.552 -12.431 1.00 28.29 O HETATM 1991 O HOH A 259 31.638 121.820 -14.427 1.00 29.37 O HETATM 1992 O HOH A 260 23.400 88.369 -3.132 1.00 29.02 O HETATM 1993 O HOH A 261 0.000 111.219 0.000 0.25 28.15 O HETATM 1994 O HOH A 262 40.166 111.853 -1.501 1.00 29.16 O HETATM 1995 O HOH A 263 5.453 108.191 -4.549 1.00 29.77 O HETATM 1996 O HOH A 264 23.621 92.746 3.107 1.00 31.59 O HETATM 1997 O HOH A 265 34.737 105.675 1.037 1.00 28.37 O HETATM 1998 O HOH A 266 37.464 105.708 9.672 1.00 29.99 O HETATM 1999 O HOH A 267 27.381 112.759 -15.778 1.00 29.67 O HETATM 2000 O HOH A 268 29.209 119.728 18.679 1.00 30.58 O HETATM 2001 O HOH A 269 21.593 111.708 -8.986 1.00 31.46 O HETATM 2002 O HOH A 270 7.767 118.056 1.005 1.00 30.98 O HETATM 2003 O HOH A 271 17.323 99.200 -10.234 1.00 32.03 O HETATM 2004 O HOH A 272 30.164 88.669 -2.919 1.00 31.48 O HETATM 2005 O HOH A 273 21.390 89.870 0.294 1.00 32.50 O HETATM 2006 O HOH A 274 16.691 122.942 0.526 1.00 32.73 O HETATM 2007 O HOH A 275 9.972 120.786 10.198 1.00 30.49 O HETATM 2008 O HOH A 276 43.632 112.580 15.142 1.00 31.10 O HETATM 2009 O HOH A 277 4.381 110.629 12.508 1.00 32.10 O HETATM 2010 O HOH A 278 17.118 98.156 -7.830 1.00 31.56 O HETATM 2011 O HOH A 279 20.477 89.845 -18.207 1.00 31.58 O HETATM 2012 O HOH A 280 42.267 112.611 19.373 1.00 32.97 O HETATM 2013 O HOH A 281 31.148 118.724 -18.506 1.00 33.21 O HETATM 2014 O HOH A 282 25.816 125.767 5.433 1.00 33.68 O HETATM 2015 O HOH A 283 29.092 127.958 0.000 0.50 30.18 O HETATM 2016 O HOH A 284 36.917 107.724 19.351 1.00 31.01 O HETATM 2017 O HOH A 285 4.542 106.292 -0.897 1.00 33.80 O HETATM 2018 O HOH A 286 15.496 118.753 -0.439 1.00 32.98 O HETATM 2019 O HOH A 287 18.274 105.443 -5.935 1.00 33.12 O HETATM 2020 O HOH A 288 33.192 125.691 6.226 1.00 31.20 O HETATM 2021 O HOH A 289 30.295 125.224 13.389 1.00 32.74 O HETATM 2022 O HOH A 290 27.073 90.332 -16.685 1.00 33.55 O HETATM 2023 O HOH A 291 25.618 125.071 10.696 1.00 34.01 O HETATM 2024 O HOH A 292 16.816 113.021 22.812 1.00 34.43 O HETATM 2025 O HOH A 293 18.078 125.122 8.285 1.00 34.12 O HETATM 2026 O HOH A 294 13.528 108.264 -3.364 1.00 32.72 O HETATM 2027 O HOH A 295 26.928 117.293 -5.201 1.00 34.87 O HETATM 2028 O HOH A 296 6.708 117.769 5.834 1.00 33.85 O HETATM 2029 O HOH A 297 3.851 108.561 1.945 1.00 33.69 O HETATM 2030 O HOH A 298 35.184 96.747 -8.028 1.00 35.11 O HETATM 2031 O HOH A 299 13.418 104.583 -6.347 1.00 35.82 O HETATM 2032 O HOH A 300 34.799 108.979 20.759 1.00 35.77 O HETATM 2033 O HOH A 301 27.642 122.031 -10.585 1.00 34.80 O HETATM 2034 O HOH A 302 21.305 104.036 -20.939 1.00 36.11 O HETATM 2035 O HOH A 303 24.503 126.145 -0.183 1.00 34.08 O HETATM 2036 O HOH A 304 24.985 108.887 20.089 1.00 36.96 O HETATM 2037 O HOH A 305 42.997 108.268 12.316 1.00 34.59 O HETATM 2038 O HOH A 306 36.092 98.402 -0.424 1.00 36.41 O HETATM 2039 O HOH A 307 42.579 113.181 -9.082 1.00 34.00 O HETATM 2040 O HOH A 308 35.807 105.395 -1.288 1.00 34.75 O HETATM 2041 O HOH A 309 38.538 104.299 -10.071 1.00 36.21 O HETATM 2042 O HOH A 310 28.565 112.823 -18.096 1.00 36.12 O HETATM 2043 O HOH A 311 27.084 97.890 -20.479 1.00 36.68 O HETATM 2044 O HOH A 312 12.072 121.940 11.238 1.00 36.15 O HETATM 2045 O HOH A 313 31.961 115.728 21.588 1.00 35.59 O HETATM 2046 O HOH A 314 13.845 95.562 -6.128 1.00 37.27 O HETATM 2047 O HOH A 315 21.271 87.412 -5.392 1.00 36.59 O HETATM 2048 O HOH A 316 20.098 99.486 6.210 1.00 36.81 O HETATM 2049 O HOH A 317 19.810 126.060 6.066 1.00 35.61 O HETATM 2050 O HOH A 318 38.521 104.085 -6.618 1.00 35.39 O HETATM 2051 O HOH A 319 33.474 102.465 15.585 1.00 35.53 O HETATM 2052 O HOH A 320 37.744 104.413 4.171 1.00 38.67 O HETATM 2053 O HOH A 321 41.691 109.851 -9.860 1.00 36.38 O HETATM 2054 O HOH A 322 34.048 95.715 -10.705 1.00 37.43 O HETATM 2055 O HOH A 323 39.999 107.178 -18.282 1.00 37.52 O HETATM 2056 O HOH A 324 40.800 108.503 -15.700 1.00 38.22 O HETATM 2057 O HOH A 325 18.632 86.999 -16.252 1.00 39.66 O HETATM 2058 O HOH A 326 36.990 100.362 -12.350 1.00 38.57 O HETATM 2059 O HOH A 327 15.418 89.097 -14.366 1.00 39.31 O HETATM 2060 O HOH A 328 9.319 106.443 -2.109 1.00 35.71 O HETATM 2061 O HOH A 329 19.794 104.917 -8.266 1.00 37.65 O HETATM 2062 O HOH A 330 35.284 103.292 13.551 1.00 36.95 O HETATM 2063 O HOH A 331 17.954 84.001 -11.184 1.00 38.52 O HETATM 2064 O HOH A 332 37.309 103.903 16.809 1.00 35.99 O HETATM 2065 O HOH A 333 39.106 103.484 -14.361 1.00 38.43 O HETATM 2066 O HOH A 334 35.128 101.856 -3.505 1.00 38.80 O HETATM 2067 O HOH A 335 40.651 105.680 18.048 1.00 40.76 O HETATM 2068 O HOH A 336 0.966 99.793 1.254 1.00 39.07 O HETATM 2069 O HOH A 337 11.912 99.401 6.794 1.00 40.39 O HETATM 2070 O HOH A 338 14.496 119.855 13.902 1.00 38.44 O HETATM 2071 O HOH A 339 34.385 94.512 -6.807 1.00 37.89 O HETATM 2072 O HOH A 340 27.295 127.504 -3.687 1.00 38.67 O HETATM 2073 O HOH A 341 8.131 96.787 4.804 1.00 40.68 O HETATM 2074 O HOH A 342 15.356 120.640 1.350 1.00 38.80 O HETATM 2075 O HOH A 343 32.856 91.554 -3.976 1.00 37.93 O HETATM 2076 O HOH A 344 17.150 119.653 18.138 1.00 38.15 O HETATM 2077 O HOH A 345 21.963 111.370 22.457 1.00 40.82 O HETATM 2078 O HOH A 346 11.262 121.766 3.799 1.00 37.80 O HETATM 2079 O HOH A 347 21.742 107.768 -17.017 1.00 36.88 O HETATM 2080 O HOH A 348 32.319 99.066 -21.329 1.00 39.23 O HETATM 2081 O HOH A 349 18.171 121.383 12.935 1.00 37.24 O HETATM 2082 O HOH A 350 34.857 94.995 -17.833 1.00 41.34 O HETATM 2083 O HOH A 351 32.825 120.783 19.496 1.00 41.29 O HETATM 2084 O HOH A 352 11.943 125.068 7.072 1.00 41.45 O HETATM 2085 O HOH A 353 40.702 100.961 -11.909 1.00 42.89 O HETATM 2086 O HOH A 354 33.205 98.587 12.149 1.00 39.19 O HETATM 2087 O HOH A 355 38.910 107.984 -1.042 1.00 38.88 O HETATM 2088 O HOH A 356 13.776 101.399 10.575 1.00 39.27 O HETATM 2089 O HOH A 357 37.159 98.209 -10.759 1.00 40.10 O HETATM 2090 O HOH A 358 11.845 117.884 -4.926 1.00 40.11 O HETATM 2091 O HOH A 359 26.115 127.785 1.382 1.00 41.28 O HETATM 2092 O HOH A 360 41.101 106.671 -9.198 1.00 39.83 O HETATM 2093 O HOH A 361 26.974 121.588 -6.391 1.00 40.25 O HETATM 2094 O HOH A 362 6.124 106.905 -6.554 1.00 40.41 O HETATM 2095 O HOH A 363 27.593 88.562 1.589 1.00 40.28 O HETATM 2096 O HOH A 364 37.591 101.201 3.511 1.00 42.02 O HETATM 2097 O HOH A 365 6.927 99.554 10.748 1.00 40.41 O HETATM 2098 O HOH A 366 30.135 126.252 10.070 1.00 42.31 O HETATM 2099 O HOH A 367 11.100 90.814 -9.435 1.00 41.93 O HETATM 2100 O HOH A 368 33.108 93.411 -16.197 1.00 40.77 O HETATM 2101 O HOH A 369 19.880 105.896 -17.247 1.00 39.85 O HETATM 2102 O HOH A 370 10.773 118.518 -1.569 1.00 41.27 O HETATM 2103 O HOH A 371 41.541 106.275 11.510 1.00 40.33 O HETATM 2104 O HOH A 372 24.895 89.117 -18.312 1.00 41.70 O HETATM 2105 O HOH A 373 36.528 98.074 4.270 1.00 40.82 O HETATM 2106 O HOH A 374 26.890 114.169 19.911 1.00 40.97 O HETATM 2107 O HOH A 375 4.063 95.579 -2.516 1.00 43.56 O HETATM 2108 O HOH A 376 14.133 120.493 -4.189 1.00 43.27 O HETATM 2109 O HOH A 377 24.562 116.050 -6.901 1.00 39.49 O HETATM 2110 O HOH A 378 26.266 124.730 17.305 1.00 41.77 O HETATM 2111 O HOH A 379 27.566 94.018 18.503 1.00 43.69 O HETATM 2112 O HOH A 380 19.443 99.807 14.232 1.00 41.25 O HETATM 2113 O HOH A 381 31.658 89.536 -11.517 1.00 42.90 O HETATM 2114 O HOH A 382 30.347 94.654 17.785 1.00 45.76 O HETATM 2115 O HOH A 383 7.243 104.997 -2.654 1.00 41.47 O HETATM 2116 O HOH A 384 34.664 97.552 -19.955 1.00 43.08 O HETATM 2117 O HOH A 385 26.587 118.211 21.442 1.00 45.78 O HETATM 2118 O HOH A 386 39.492 94.239 -2.345 1.00 40.42 O HETATM 2119 O HOH A 387 17.879 103.078 -9.967 1.00 43.29 O HETATM 2120 O HOH A 388 10.832 101.746 7.630 1.00 42.77 O HETATM 2121 O HOH A 389 27.822 99.712 -21.893 1.00 42.52 O HETATM 2122 O HOH A 390 41.808 104.486 5.373 1.00 43.01 O HETATM 2123 O HOH A 391 12.738 121.662 1.541 1.00 42.75 O HETATM 2124 O HOH A 392 16.266 101.778 -15.828 1.00 45.59 O HETATM 2125 O HOH A 393 34.709 124.964 17.581 1.00 45.62 O HETATM 2126 O HOH A 394 16.133 99.110 10.484 1.00 44.82 O HETATM 2127 O HOH A 395 24.612 106.615 22.000 1.00 44.08 O HETATM 2128 O HOH A 396 36.127 119.289 -19.911 1.00 44.36 O HETATM 2129 O HOH A 397 13.404 100.122 -7.796 1.00 45.84 O HETATM 2130 O HOH A 398 14.295 85.953 -4.444 1.00 43.13 O HETATM 2131 O HOH A 399 24.266 101.827 -20.951 1.00 47.23 O HETATM 2132 O HOH A 400 23.893 120.981 17.165 1.00 43.44 O HETATM 2133 O HOH A 401 24.269 108.022 -16.277 1.00 43.25 O HETATM 2134 O HOH A 402 11.914 114.351 17.756 1.00 45.53 O HETATM 2135 O HOH A 403 16.745 96.866 7.044 1.00 45.69 O HETATM 2136 O HOH A 404 38.684 98.624 -6.102 1.00 50.90 O HETATM 2137 O HOH A 405 18.095 105.248 17.283 1.00 45.72 O HETATM 2138 O HOH A 406 38.642 101.299 -7.671 1.00 46.51 O HETATM 2139 O HOH A 407 41.992 107.471 -12.492 1.00 46.18 O HETATM 2140 O HOH A 408 13.924 97.491 7.563 1.00 44.61 O HETATM 2141 O HOH A 409 14.107 95.579 2.404 1.00 46.51 O HETATM 2142 O HOH A 410 40.257 106.207 2.064 1.00 45.95 O HETATM 2143 O HOH A 411 37.441 116.868 -19.564 1.00 46.06 O HETATM 2144 O HOH A 412 19.048 110.930 23.193 1.00 47.65 O HETATM 2145 O HOH A 413 24.629 91.731 -20.078 1.00 50.88 O HETATM 2146 O HOH B 20 30.328 95.141 2.810 1.00 21.28 O HETATM 2147 O HOH B 56 29.565 92.527 3.367 1.00 28.48 O HETATM 2148 O HOH B 57 27.178 92.212 4.493 1.00 28.87 O HETATM 2149 O HOH B 60 33.702 94.851 2.900 1.00 30.96 O HETATM 2150 O HOH B 152 30.207 97.244 11.512 1.00 39.39 O HETATM 2151 O HOH B 187 35.385 93.311 6.710 1.00 41.66 O HETATM 2152 O HOH C 166 22.338 87.106 -0.699 1.00 41.51 O HETATM 2153 O HOH C 169 17.281 82.680 -6.360 1.00 41.90 O HETATM 2154 O HOH C 192 16.077 85.284 -2.658 1.00 42.76 O HETATM 2155 O HOH C 223 30.978 82.989 -6.145 1.00 55.32 O CONECT 1386 1944 CONECT 1417 1944 CONECT 1529 1944 CONECT 1564 1944 CONECT 1913 1914 1915 1916 1917 CONECT 1914 1913 CONECT 1915 1913 CONECT 1916 1913 CONECT 1917 1913 1918 CONECT 1918 1917 1919 CONECT 1919 1918 1920 1921 CONECT 1920 1919 1925 CONECT 1921 1919 1922 1923 CONECT 1922 1921 CONECT 1923 1921 1924 1925 CONECT 1924 1923 CONECT 1925 1920 1923 1926 CONECT 1926 1925 1927 1935 CONECT 1927 1926 1928 CONECT 1928 1927 1929 CONECT 1929 1928 1930 1935 CONECT 1930 1929 1931 1932 CONECT 1931 1930 CONECT 1932 1930 1933 CONECT 1933 1932 1934 CONECT 1934 1933 1935 CONECT 1935 1926 1929 1934 CONECT 1936 1937 1938 CONECT 1937 1936 1939 CONECT 1938 1936 CONECT 1939 1937 CONECT 1940 1941 1942 CONECT 1941 1940 1943 CONECT 1942 1940 CONECT 1943 1941 CONECT 1944 1386 1417 1529 1564 MASTER 503 0 4 13 6 0 8 6 2122 3 36 19 END
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Related entries of code: 3szq
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
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3szq
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
S. pombe Aprataxin-like protein, APTX HIT-ZNF catalytic domain
Ligand Name
l4-mer dsDNA (on strand is 5-mer)
EC.Number
E.C.3.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
Kd=190nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Nat.Struct.Mol.Biol. Vol. 18: pp. 1189-1195
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):
O74859
Entrez Gene ID
NCBI Entrez Gene ID:
2539198
ASD
Information of known allosteric effects of PDB entries
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