Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 28-JUL-09 3IGM TITLE A 2.2A CRYSTAL STRUCTURE OF THE AP2 DOMAIN OF PF14_0633 FROM P. TITLE 2 FALCIPARUM, BOUND AS A DOMAIN-SWAPPED DIMER TO ITS COGNATE DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PF14_0633 PROTEIN; COMPND 3 CHAIN: B, A; COMPND 4 FRAGMENT: UNP RESIDUES 63-123, AP2 DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-D(*TP*GP*CP*AP*TP*GP*CP*A)-3'; COMPND 8 CHAIN: W, X, C, D; COMPND 9 ENGINEERED: YES; COMPND 10 OTHER_DETAILS: COGNATE DNA SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; SOURCE 3 ORGANISM_TAXID: 36329; SOURCE 4 STRAIN: 3D7; SOURCE 5 GENE: FP14_0633, PF14_0633; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) CODON PLUS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PSURE, A PGEX4T-1 DERIVATIVE; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN P. FALCIPARUM. DNA SOURCE 14 PRODUCED FOR THIS STUDY WAS CHEMICALLY SYNTHESIZED. KEYWDS AP2 DOMAIN, PLASMODIUM FALCIPARUM, SPECIFIC TRANSCRIPTION FACTOR, KEYWDS 2 PROTEIN-DNA COMPLEX, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.E.LINDNER,E.DE SILVA,J.L.KECK,M.LLINAS REVDAT 4 01-NOV-17 3IGM 1 REMARK REVDAT 3 13-JUL-11 3IGM 1 VERSN REVDAT 2 09-FEB-10 3IGM 1 JRNL REVDAT 1 10-NOV-09 3IGM 0 JRNL AUTH S.E.LINDNER,E.K.DE SILVA,J.L.KECK,M.LLINAS JRNL TITL STRUCTURAL DETERMINANTS OF DNA BINDING BY A P. FALCIPARUM JRNL TITL 2 APIAP2 TRANSCRIPTIONAL REGULATOR. JRNL REF J.MOL.BIOL. V. 395 558 2010 JRNL REFN ISSN 0022-2836 JRNL PMID 19913037 JRNL DOI 10.1016/J.JMB.2009.11.004 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0072 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.55 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 91.8 REMARK 3 NUMBER OF REFLECTIONS : 10478 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.217 REMARK 3 R VALUE (WORKING SET) : 0.214 REMARK 3 FREE R VALUE : 0.263 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 526 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.26 REMARK 3 REFLECTION IN BIN (WORKING SET) : 581 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 69.25 REMARK 3 BIN R VALUE (WORKING SET) : 0.2790 REMARK 3 BIN FREE R VALUE SET COUNT : 27 REMARK 3 BIN FREE R VALUE : 0.4220 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 971 REMARK 3 NUCLEIC ACID ATOMS : 623 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 97 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 48.95 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.84000 REMARK 3 B22 (A**2) : -1.48000 REMARK 3 B33 (A**2) : -1.36000 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 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.334 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.243 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.180 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 15.931 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.949 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.925 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1695 ; 0.008 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2400 ; 1.348 ; 2.394 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 116 ; 6.075 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 49 ;21.052 ;21.020 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 179 ;14.458 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;17.111 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 245 ; 0.073 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1090 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 585 ; 0.617 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 927 ; 1.184 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1110 ; 1.127 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1473 ; 1.805 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 4 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 62 A 123 REMARK 3 ORIGIN FOR THE GROUP (A): 14.4456 -5.6150 -20.3140 REMARK 3 T TENSOR REMARK 3 T11: 0.0926 T22: 0.0398 REMARK 3 T33: 0.0680 T12: -0.0118 REMARK 3 T13: 0.0417 T23: -0.0240 REMARK 3 L TENSOR REMARK 3 L11: 1.4607 L22: 0.5445 REMARK 3 L33: 9.6832 L12: -0.2370 REMARK 3 L13: 3.5098 L23: 0.0132 REMARK 3 S TENSOR REMARK 3 S11: 0.1729 S12: 0.0021 S13: -0.1200 REMARK 3 S21: 0.0889 S22: 0.0412 S23: 0.1298 REMARK 3 S31: 0.4024 S32: 0.0549 S33: -0.2141 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 62 B 117 REMARK 3 ORIGIN FOR THE GROUP (A): 9.9642 -1.0769 -27.3083 REMARK 3 T TENSOR REMARK 3 T11: 0.1110 T22: 0.0943 REMARK 3 T33: 0.1039 T12: -0.0423 REMARK 3 T13: 0.0154 T23: -0.0338 REMARK 3 L TENSOR REMARK 3 L11: 1.1839 L22: 0.2593 REMARK 3 L33: 9.8892 L12: -0.3430 REMARK 3 L13: 2.3768 L23: -1.5690 REMARK 3 S TENSOR REMARK 3 S11: -0.0328 S12: 0.0887 S13: 0.0878 REMARK 3 S21: -0.0185 S22: 0.0668 S23: 0.0115 REMARK 3 S31: 0.2432 S32: -0.2973 S33: -0.0340 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 1 C 8 REMARK 3 RESIDUE RANGE : D 1 D 7 REMARK 3 ORIGIN FOR THE GROUP (A): 27.6921 -1.3296 -13.2621 REMARK 3 T TENSOR REMARK 3 T11: 0.1512 T22: 0.1328 REMARK 3 T33: 0.2627 T12: -0.0507 REMARK 3 T13: 0.0709 T23: -0.0298 REMARK 3 L TENSOR REMARK 3 L11: 2.8765 L22: 4.8339 REMARK 3 L33: 5.3028 L12: -1.0093 REMARK 3 L13: -0.6642 L23: 1.8028 REMARK 3 S TENSOR REMARK 3 S11: 0.0414 S12: 0.1707 S13: 0.1645 REMARK 3 S21: -0.1823 S22: 0.0789 S23: -0.9101 REMARK 3 S31: -0.1362 S32: 0.6339 S33: -0.1204 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : W 1 W 8 REMARK 3 RESIDUE RANGE : X 1 X 8 REMARK 3 ORIGIN FOR THE GROUP (A): 13.7092 12.1749 -33.7973 REMARK 3 T TENSOR REMARK 3 T11: 0.1029 T22: 0.0643 REMARK 3 T33: 0.0904 T12: -0.0353 REMARK 3 T13: -0.0221 T23: -0.0144 REMARK 3 L TENSOR REMARK 3 L11: 4.7050 L22: 2.8098 REMARK 3 L33: 3.9339 L12: 0.5541 REMARK 3 L13: -0.6124 L23: 0.6006 REMARK 3 S TENSOR REMARK 3 S11: -0.1899 S12: 0.1890 S13: 0.4752 REMARK 3 S21: 0.2997 S22: 0.1868 S23: -0.0628 REMARK 3 S31: -0.3009 S32: 0.2616 S33: 0.0031 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3IGM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUL-09. REMARK 100 THE DEPOSITION ID IS D_1000054385. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-DEC-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.1 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 21-ID-D REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97886 REMARK 200 MONOCHROMATOR : SI(111) 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 : 10478 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.9 REMARK 200 DATA REDUNDANCY : 11.00 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07500 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 32.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.26 REMARK 200 COMPLETENESS FOR SHELL (%) : 72.4 REMARK 200 DATA REDUNDANCY IN SHELL : 9.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.38100 REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: MLPHARE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.5M-1.25M 1,6-HEXANEDIOL 100MM NAOAC REMARK 280 PH 5.1 @295K 10MM COCL2 10-20% ETHYLENE GLYCOL, VAPOR DIFFUSION, REMARK 280 HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 88.64800 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 88.64800 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 1.000000 0.000000 0.000000 21.90500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.41050 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 21.90500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.41050 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 88.64800 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 21.90500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 29.41050 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 88.64800 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 21.90500 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 29.41050 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: BIOLOGICAL ASSEMBLY OF PROTEIN IS DIMER 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7720 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11040 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -62.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, W, X, A, C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY B 59 REMARK 465 SER B 60 REMARK 465 HIS B 61 REMARK 465 LEU B 124 REMARK 465 GLU B 125 REMARK 465 PRO B 126 REMARK 465 GLY B 127 REMARK 465 GLY B 128 REMARK 465 SER B 129 REMARK 465 GLN B 130 REMARK 465 PHE B 131 REMARK 465 ILE B 132 REMARK 465 VAL B 133 REMARK 465 THR B 134 REMARK 465 ASP B 135 REMARK 465 GLY A 59 REMARK 465 SER A 60 REMARK 465 HIS A 61 REMARK 465 ASN A 118 REMARK 465 ASN A 119 REMARK 465 GLY A 120 REMARK 465 ARG A 121 REMARK 465 LYS A 122 REMARK 465 LYS A 123 REMARK 465 LEU A 124 REMARK 465 GLU A 125 REMARK 465 PRO A 126 REMARK 465 GLY A 127 REMARK 465 GLY A 128 REMARK 465 SER A 129 REMARK 465 GLN A 130 REMARK 465 PHE A 131 REMARK 465 ILE A 132 REMARK 465 VAL A 133 REMARK 465 THR A 134 REMARK 465 ASP A 135 REMARK 465 DA D 8 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DT W 1 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES REMARK 500 DT W 5 C3' - O3' - P ANGL. DEV. = 7.5 DEGREES REMARK 500 DG W 6 O4' - C1' - N9 ANGL. DEV. = -4.7 DEGREES REMARK 500 DC X 3 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT C 1 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA C 4 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES REMARK 500 DA C 8 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DC D 3 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 3IGM B 63 123 UNP Q8IKH2 Q8IKH2_PLAF7 63 123 DBREF 3IGM A 63 123 UNP Q8IKH2 Q8IKH2_PLAF7 63 123 DBREF 3IGM W 1 8 PDB 3IGM 3IGM 1 8 DBREF 3IGM X 1 8 PDB 3IGM 3IGM 1 8 DBREF 3IGM C 1 8 PDB 3IGM 3IGM 1 8 DBREF 3IGM D 1 8 PDB 3IGM 3IGM 1 8 SEQADV 3IGM GLY B 59 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM SER B 60 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM HIS B 61 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM MET B 62 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM LEU B 124 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLU B 125 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM PRO B 126 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLY B 127 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLY B 128 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM SER B 129 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLN B 130 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM PHE B 131 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM ILE B 132 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM VAL B 133 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM THR B 134 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM ASP B 135 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLY A 59 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM SER A 60 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM HIS A 61 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM MET A 62 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM LEU A 124 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLU A 125 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM PRO A 126 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLY A 127 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLY A 128 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM SER A 129 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM GLN A 130 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM PHE A 131 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM ILE A 132 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM VAL A 133 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM THR A 134 UNP Q8IKH2 EXPRESSION TAG SEQADV 3IGM ASP A 135 UNP Q8IKH2 EXPRESSION TAG SEQRES 1 B 77 GLY SER HIS MET SER SER GLY TYR PRO GLY VAL SER TRP SEQRES 2 B 77 ASN LYS ARG MET CYS ALA TRP LEU ALA PHE PHE TYR ASP SEQRES 3 B 77 GLY ALA SER ARG ARG SER ARG THR PHE HIS PRO LYS HIS SEQRES 4 B 77 PHE ASN MET ASP LYS GLU LYS ALA ARG LEU ALA ALA VAL SEQRES 5 B 77 GLU PHE MET LYS THR VAL GLU ASN ASN GLY ARG LYS LYS SEQRES 6 B 77 LEU GLU PRO GLY GLY SER GLN PHE ILE VAL THR ASP SEQRES 1 W 8 DT DG DC DA DT DG DC DA SEQRES 1 X 8 DT DG DC DA DT DG DC DA SEQRES 1 A 77 GLY SER HIS MET SER SER GLY TYR PRO GLY VAL SER TRP SEQRES 2 A 77 ASN LYS ARG MET CYS ALA TRP LEU ALA PHE PHE TYR ASP SEQRES 3 A 77 GLY ALA SER ARG ARG SER ARG THR PHE HIS PRO LYS HIS SEQRES 4 A 77 PHE ASN MET ASP LYS GLU LYS ALA ARG LEU ALA ALA VAL SEQRES 5 A 77 GLU PHE MET LYS THR VAL GLU ASN ASN GLY ARG LYS LYS SEQRES 6 A 77 LEU GLU PRO GLY GLY SER GLN PHE ILE VAL THR ASP SEQRES 1 C 8 DT DG DC DA DT DG DC DA SEQRES 1 D 8 DT DG DC DA DT DG DC DA FORMUL 7 HOH *97(H2 O) HELIX 1 1 HIS B 97 VAL B 116 1 20 HELIX 2 2 HIS A 97 GLU A 117 1 21 SHEET 1 A 3 VAL B 69 ASN B 72 0 SHEET 2 A 3 ALA B 77 ASP B 84 -1 O ALA B 77 N ASN B 72 SHEET 3 A 3 SER B 87 PHE B 93 -1 O PHE B 93 N TRP B 78 SHEET 1 B 3 VAL A 69 ASN A 72 0 SHEET 2 B 3 ALA A 77 ASP A 84 -1 O LEU A 79 N SER A 70 SHEET 3 B 3 SER A 87 PHE A 93 -1 O ARG A 89 N PHE A 82 SSBOND 1 CYS B 76 CYS A 76 1555 1555 3.00 CRYST1 43.810 58.821 177.296 90.00 90.00 90.00 C 2 2 21 32 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 0.022826 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017001 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005640 0.00000 ATOM 1 N MET B 62 22.238 -4.640 -40.012 1.00 57.48 N ATOM 2 CA MET B 62 21.175 -3.775 -39.409 1.00 57.45 C ATOM 3 C MET B 62 20.636 -4.354 -38.088 1.00 56.79 C ATOM 4 O MET B 62 20.898 -5.521 -37.757 1.00 56.87 O ATOM 5 CB MET B 62 20.040 -3.574 -40.414 1.00 57.79 C ATOM 6 CG MET B 62 19.169 -2.366 -40.125 1.00 59.53 C ATOM 7 SD MET B 62 17.952 -2.068 -41.418 1.00 64.11 S ATOM 8 CE MET B 62 17.197 -0.572 -40.793 1.00 63.12 C ATOM 9 N SER B 63 19.906 -3.532 -37.328 1.00 55.88 N ATOM 10 CA SER B 63 19.225 -3.998 -36.112 1.00 54.59 C ATOM 11 C SER B 63 18.005 -4.851 -36.475 1.00 53.54 C ATOM 12 O SER B 63 17.683 -5.817 -35.769 1.00 53.81 O ATOM 13 CB SER B 63 18.830 -2.827 -35.186 1.00 54.84 C ATOM 14 OG SER B 63 17.911 -1.931 -35.802 1.00 54.20 O ATOM 15 N SER B 64 17.348 -4.494 -37.583 1.00 51.78 N ATOM 16 CA SER B 64 16.132 -5.176 -38.041 1.00 50.05 C ATOM 17 C SER B 64 16.383 -6.165 -39.169 1.00 49.03 C ATOM 18 O SER B 64 15.682 -7.177 -39.281 1.00 49.01 O ATOM 19 CB SER B 64 15.093 -4.157 -38.507 1.00 49.90 C ATOM 20 OG SER B 64 15.508 -3.515 -39.699 1.00 48.99 O ATOM 21 N GLY B 65 17.371 -5.851 -40.008 1.00 47.48 N ATOM 22 CA GLY B 65 17.604 -6.581 -41.247 1.00 45.56 C ATOM 23 C GLY B 65 16.604 -6.237 -42.341 1.00 44.12 C ATOM 24 O GLY B 65 16.440 -6.999 -43.292 1.00 44.39 O ATOM 25 N TYR B 66 15.928 -5.095 -42.216 1.00 42.43 N ATOM 26 CA TYR B 66 14.979 -4.664 -43.241 1.00 40.44 C ATOM 27 C TYR B 66 14.993 -3.154 -43.473 1.00 39.40 C ATOM 28 O TYR B 66 14.916 -2.391 -42.519 1.00 39.36 O ATOM 29 CB TYR B 66 13.556 -5.144 -42.914 1.00 40.31 C ATOM 30 CG TYR B 66 12.654 -5.070 -44.121 1.00 39.26 C ATOM 31 CD1 TYR B 66 11.808 -3.985 -44.310 1.00 37.46 C ATOM 32 CD2 TYR B 66 12.689 -6.067 -45.105 1.00 39.21 C ATOM 33 CE1 TYR B 66 10.993 -3.900 -45.426 1.00 38.13 C ATOM 34 CE2 TYR B 66 11.876 -5.990 -46.237 1.00 38.84 C ATOM 35 CZ TYR B 66 11.028 -4.907 -46.386 1.00 38.92 C ATOM 36 OH TYR B 66 10.230 -4.815 -47.500 1.00 39.80 O ATOM 37 N PRO B 67 15.084 -2.720 -44.747 1.00 38.60 N ATOM 38 CA PRO B 67 15.147 -1.298 -45.094 1.00 37.89 C ATOM 39 C PRO B 67 14.004 -0.476 -44.494 1.00 37.13 C ATOM 40 O PRO B 67 12.828 -0.765 -44.731 1.00 36.69 O ATOM 41 CB PRO B 67 15.036 -1.300 -46.625 1.00 38.15 C ATOM 42 CG PRO B 67 15.567 -2.616 -47.042 1.00 38.54 C ATOM 43 CD PRO B 67 15.201 -3.578 -45.945 1.00 38.81 C ATOM 44 N GLY B 68 14.363 0.534 -43.706 1.00 36.14 N ATOM 45 CA GLY B 68 13.398 1.480 -43.182 1.00 34.72 C ATOM 46 C GLY B 68 12.962 1.158 -41.774 1.00 33.78 C ATOM 47 O GLY B 68 12.296 1.967 -41.138 1.00 33.52 O ATOM 48 N VAL B 69 13.334 -0.017 -41.280 1.00 33.29 N ATOM 49 CA VAL B 69 12.925 -0.447 -39.948 1.00 32.99 C ATOM 50 C VAL B 69 14.112 -0.430 -39.000 1.00 33.64 C ATOM 51 O VAL B 69 15.122 -1.093 -39.249 1.00 33.93 O ATOM 52 CB VAL B 69 12.290 -1.877 -39.956 1.00 32.86 C ATOM 53 CG1 VAL B 69 11.948 -2.331 -38.543 1.00 30.47 C ATOM 54 CG2 VAL B 69 11.053 -1.927 -40.870 1.00 32.71 C ATOM 55 N SER B 70 13.993 0.310 -37.902 1.00 34.10 N ATOM 56 CA SER B 70 15.105 0.399 -36.942 1.00 34.61 C ATOM 57 C SER B 70 14.662 0.461 -35.498 1.00 35.06 C ATOM 58 O SER B 70 13.604 1.019 -35.173 1.00 34.97 O ATOM 59 CB SER B 70 16.038 1.577 -37.256 1.00 34.42 C ATOM 60 OG SER B 70 15.325 2.786 -37.440 1.00 34.77 O ATOM 61 N TRP B 71 15.495 -0.129 -34.644 1.00 35.25 N ATOM 62 CA TRP B 71 15.304 -0.123 -33.214 1.00 35.96 C ATOM 63 C TRP B 71 15.674 1.242 -32.591 1.00 36.38 C ATOM 64 O TRP B 71 16.801 1.719 -32.723 1.00 36.33 O ATOM 65 CB TRP B 71 16.138 -1.247 -32.597 1.00 35.70 C ATOM 66 CG TRP B 71 15.911 -1.457 -31.130 1.00 36.14 C ATOM 67 CD1 TRP B 71 16.789 -1.171 -30.115 1.00 36.04 C ATOM 68 CD2 TRP B 71 14.743 -2.014 -30.504 1.00 36.18 C ATOM 69 NE1 TRP B 71 16.242 -1.511 -28.905 1.00 36.17 N ATOM 70 CE2 TRP B 71 14.989 -2.033 -29.109 1.00 36.68 C ATOM 71 CE3 TRP B 71 13.514 -2.497 -30.985 1.00 35.84 C ATOM 72 CZ2 TRP B 71 14.051 -2.516 -28.188 1.00 37.44 C ATOM 73 CZ3 TRP B 71 12.580 -2.975 -30.071 1.00 35.33 C ATOM 74 CH2 TRP B 71 12.856 -2.984 -28.686 1.00 37.49 C ATOM 75 N ASN B 72 14.704 1.855 -31.920 1.00 36.92 N ATOM 76 CA ASN B 72 14.909 3.080 -31.149 1.00 37.09 C ATOM 77 C ASN B 72 15.163 2.673 -29.699 1.00 37.71 C ATOM 78 O ASN B 72 14.263 2.184 -29.019 1.00 37.83 O ATOM 79 CB ASN B 72 13.678 3.992 -31.290 1.00 36.44 C ATOM 80 CG ASN B 72 13.857 5.346 -30.624 1.00 35.38 C ATOM 81 OD1 ASN B 72 14.043 5.429 -29.412 1.00 32.95 O ATOM 82 ND2 ASN B 72 13.759 6.423 -31.417 1.00 34.63 N ATOM 83 N LYS B 73 16.397 2.853 -29.236 1.00 38.97 N ATOM 84 CA LYS B 73 16.801 2.388 -27.899 1.00 40.27 C ATOM 85 C LYS B 73 16.060 3.079 -26.744 1.00 40.39 C ATOM 86 O LYS B 73 15.541 2.401 -25.848 1.00 40.67 O ATOM 87 CB LYS B 73 18.329 2.454 -27.726 1.00 40.41 C ATOM 88 CG LYS B 73 19.066 1.415 -28.560 1.00 42.20 C ATOM 89 CD LYS B 73 20.573 1.592 -28.528 1.00 44.80 C ATOM 90 CE LYS B 73 21.247 0.410 -29.223 1.00 46.89 C ATOM 91 NZ LYS B 73 22.728 0.537 -29.325 1.00 48.65 N ATOM 92 N ARG B 74 15.985 4.411 -26.773 1.00 41.06 N ATOM 93 CA ARG B 74 15.199 5.147 -25.766 1.00 41.29 C ATOM 94 C ARG B 74 13.758 4.630 -25.643 1.00 41.25 C ATOM 95 O ARG B 74 13.265 4.430 -24.529 1.00 41.61 O ATOM 96 CB ARG B 74 15.172 6.654 -26.032 1.00 41.45 C ATOM 97 CG ARG B 74 14.425 7.409 -24.921 1.00 43.15 C ATOM 98 CD ARG B 74 14.365 8.916 -25.120 1.00 45.88 C ATOM 99 NE ARG B 74 13.415 9.383 -26.139 1.00 48.08 N ATOM 100 CZ ARG B 74 12.116 9.077 -26.192 1.00 49.55 C ATOM 101 NH1 ARG B 74 11.569 8.237 -25.311 1.00 50.70 N ATOM 102 NH2 ARG B 74 11.360 9.593 -27.157 1.00 48.89 N ATOM 103 N MET B 75 13.093 4.410 -26.781 1.00 40.85 N ATOM 104 CA MET B 75 11.687 3.989 -26.784 1.00 40.46 C ATOM 105 C MET B 75 11.533 2.498 -26.534 1.00 40.67 C ATOM 106 O MET B 75 10.467 2.031 -26.149 1.00 40.42 O ATOM 107 CB MET B 75 11.015 4.346 -28.112 1.00 40.48 C ATOM 108 CG MET B 75 10.994 5.837 -28.432 1.00 39.60 C ATOM 109 SD MET B 75 10.307 6.177 -30.065 1.00 38.08 S ATOM 110 CE MET B 75 8.621 5.627 -29.781 1.00 38.43 C ATOM 111 N CYS B 76 12.601 1.741 -26.763 1.00 41.13 N ATOM 112 CA CYS B 76 12.494 0.288 -26.726 1.00 41.77 C ATOM 113 C CYS B 76 11.407 -0.165 -27.728 1.00 40.47 C ATOM 114 O CYS B 76 10.488 -0.917 -27.389 1.00 41.29 O ATOM 115 CB CYS B 76 12.197 -0.175 -25.295 1.00 42.02 C ATOM 116 SG CYS B 76 12.308 -1.948 -25.043 1.00 48.81 S ATOM 117 N ALA B 77 11.522 0.317 -28.966 1.00 38.92 N ATOM 118 CA ALA B 77 10.548 0.047 -30.029 1.00 36.91 C ATOM 119 C ALA B 77 11.221 0.124 -31.391 1.00 36.12 C ATOM 120 O ALA B 77 12.216 0.853 -31.568 1.00 36.01 O ATOM 121 CB ALA B 77 9.401 1.055 -29.969 1.00 36.48 C ATOM 122 N TRP B 78 10.667 -0.631 -32.341 1.00 34.83 N ATOM 123 CA TRP B 78 10.992 -0.522 -33.750 1.00 34.08 C ATOM 124 C TRP B 78 10.181 0.615 -34.330 1.00 34.07 C ATOM 125 O TRP B 78 8.965 0.679 -34.112 1.00 34.03 O ATOM 126 CB TRP B 78 10.586 -1.801 -34.507 1.00 34.08 C ATOM 127 CG TRP B 78 11.205 -3.058 -33.989 1.00 32.70 C ATOM 128 CD1 TRP B 78 10.636 -3.968 -33.150 1.00 32.25 C ATOM 129 CD2 TRP B 78 12.524 -3.540 -34.280 1.00 31.78 C ATOM 130 NE1 TRP B 78 11.526 -4.994 -32.896 1.00 31.72 N ATOM 131 CE2 TRP B 78 12.691 -4.751 -33.578 1.00 31.19 C ATOM 132 CE3 TRP B 78 13.583 -3.059 -35.067 1.00 31.41 C ATOM 133 CZ2 TRP B 78 13.881 -5.500 -33.638 1.00 31.69 C ATOM 134 CZ3 TRP B 78 14.771 -3.805 -35.121 1.00 31.28 C ATOM 135 CH2 TRP B 78 14.901 -5.011 -34.415 1.00 30.24 C ATOM 136 N LEU B 79 10.832 1.515 -35.064 1.00 33.54 N ATOM 137 CA LEU B 79 10.080 2.454 -35.877 1.00 33.65 C ATOM 138 C LEU B 79 10.273 2.132 -37.349 1.00 33.48 C ATOM 139 O LEU B 79 11.376 1.832 -37.799 1.00 33.78 O ATOM 140 CB LEU B 79 10.401 3.927 -35.586 1.00 33.62 C ATOM 141 CG LEU B 79 10.545 4.529 -34.185 1.00 34.26 C ATOM 142 CD1 LEU B 79 10.363 6.040 -34.234 1.00 33.18 C ATOM 143 CD2 LEU B 79 9.678 3.923 -33.120 1.00 33.58 C ATOM 144 N ALA B 80 9.166 2.150 -38.073 1.00 33.48 N ATOM 145 CA ALA B 80 9.165 2.000 -39.514 1.00 33.37 C ATOM 146 C ALA B 80 9.091 3.405 -40.087 1.00 33.18 C ATOM 147 O ALA B 80 8.123 4.154 -39.844 1.00 33.14 O ATOM 148 CB ALA B 80 7.959 1.151 -39.955 1.00 32.96 C ATOM 149 N PHE B 81 10.143 3.769 -40.804 1.00 33.36 N ATOM 150 CA PHE B 81 10.278 5.072 -41.434 1.00 33.41 C ATOM 151 C PHE B 81 9.901 4.928 -42.889 1.00 33.95 C ATOM 152 O PHE B 81 10.341 4.001 -43.554 1.00 34.54 O ATOM 153 CB PHE B 81 11.715 5.603 -41.286 1.00 33.57 C ATOM 154 CG PHE B 81 12.027 6.092 -39.896 1.00 32.56 C ATOM 155 CD1 PHE B 81 11.880 7.444 -39.572 1.00 31.71 C ATOM 156 CD2 PHE B 81 12.421 5.198 -38.904 1.00 32.02 C ATOM 157 CE1 PHE B 81 12.131 7.902 -38.290 1.00 31.12 C ATOM 158 CE2 PHE B 81 12.673 5.642 -37.605 1.00 33.27 C ATOM 159 CZ PHE B 81 12.534 7.004 -37.296 1.00 32.59 C ATOM 160 N PHE B 82 9.068 5.836 -43.377 1.00 34.04 N ATOM 161 CA PHE B 82 8.525 5.728 -44.729 1.00 34.32 C ATOM 162 C PHE B 82 8.329 7.120 -45.303 1.00 34.72 C ATOM 163 O PHE B 82 8.163 8.092 -44.562 1.00 34.66 O ATOM 164 CB PHE B 82 7.185 4.943 -44.732 1.00 33.43 C ATOM 165 CG PHE B 82 6.079 5.589 -43.913 1.00 32.61 C ATOM 166 CD1 PHE B 82 5.061 6.319 -44.532 1.00 33.35 C ATOM 167 CD2 PHE B 82 6.044 5.454 -42.535 1.00 31.54 C ATOM 168 CE1 PHE B 82 4.035 6.910 -43.774 1.00 33.38 C ATOM 169 CE2 PHE B 82 5.031 6.043 -41.771 1.00 30.69 C ATOM 170 CZ PHE B 82 4.025 6.766 -42.388 1.00 30.93 C ATOM 171 N TYR B 83 8.344 7.213 -46.623 1.00 35.64 N ATOM 172 CA TYR B 83 8.040 8.475 -47.282 1.00 36.71 C ATOM 173 C TYR B 83 6.554 8.598 -47.592 1.00 37.03 C ATOM 174 O TYR B 83 5.928 7.645 -48.062 1.00 37.66 O ATOM 175 CB TYR B 83 8.915 8.672 -48.526 1.00 36.71 C ATOM 176 CG TYR B 83 10.312 9.110 -48.141 1.00 38.20 C ATOM 177 CD1 TYR B 83 10.591 10.447 -47.844 1.00 38.15 C ATOM 178 CD2 TYR B 83 11.345 8.181 -48.021 1.00 39.78 C ATOM 179 CE1 TYR B 83 11.874 10.845 -47.454 1.00 39.91 C ATOM 180 CE2 TYR B 83 12.629 8.574 -47.645 1.00 40.40 C ATOM 181 CZ TYR B 83 12.882 9.903 -47.363 1.00 40.03 C ATOM 182 OH TYR B 83 14.152 10.280 -46.992 1.00 42.46 O ATOM 183 N ASP B 84 5.991 9.762 -47.274 1.00 37.08 N ATOM 184 CA ASP B 84 4.602 10.073 -47.598 1.00 37.08 C ATOM 185 C ASP B 84 4.641 11.298 -48.510 1.00 37.32 C ATOM 186 O ASP B 84 4.632 12.441 -48.041 1.00 37.07 O ATOM 187 CB ASP B 84 3.817 10.332 -46.305 1.00 36.98 C ATOM 188 CG ASP B 84 2.361 10.709 -46.542 1.00 36.22 C ATOM 189 OD1 ASP B 84 1.658 10.957 -45.539 1.00 35.79 O ATOM 190 OD2 ASP B 84 1.909 10.764 -47.702 1.00 35.26 O ATOM 191 N GLY B 85 4.681 11.042 -49.817 1.00 37.71 N ATOM 192 CA GLY B 85 5.056 12.067 -50.795 1.00 38.24 C ATOM 193 C GLY B 85 6.517 12.401 -50.532 1.00 38.57 C ATOM 194 O GLY B 85 7.372 11.504 -50.527 1.00 38.86 O ATOM 195 N ALA B 86 6.796 13.678 -50.267 1.00 38.37 N ATOM 196 CA ALA B 86 8.146 14.119 -49.896 1.00 38.30 C ATOM 197 C ALA B 86 8.448 13.980 -48.394 1.00 38.12 C ATOM 198 O ALA B 86 9.615 13.902 -47.996 1.00 38.19 O ATOM 199 CB ALA B 86 8.367 15.548 -50.346 1.00 38.37 C ATOM 200 N SER B 87 7.393 13.930 -47.579 1.00 37.82 N ATOM 201 CA SER B 87 7.498 13.969 -46.113 1.00 37.29 C ATOM 202 C SER B 87 7.902 12.636 -45.475 1.00 36.80 C ATOM 203 O SER B 87 7.194 11.632 -45.616 1.00 37.11 O ATOM 204 CB SER B 87 6.178 14.468 -45.495 1.00 37.50 C ATOM 205 OG SER B 87 5.704 15.645 -46.137 1.00 37.15 O ATOM 206 N ARG B 88 9.034 12.640 -44.770 1.00 35.80 N ATOM 207 CA ARG B 88 9.495 11.471 -44.027 1.00 35.07 C ATOM 208 C ARG B 88 8.763 11.333 -42.688 1.00 34.52 C ATOM 209 O ARG B 88 8.665 12.287 -41.898 1.00 34.29 O ATOM 210 CB ARG B 88 11.009 11.501 -43.798 1.00 35.08 C ATOM 211 CG ARG B 88 11.575 10.137 -43.398 1.00 35.03 C ATOM 212 CD ARG B 88 13.065 10.228 -43.174 1.00 35.33 C ATOM 213 NE ARG B 88 13.698 8.917 -43.046 1.00 33.98 N ATOM 214 CZ ARG B 88 14.858 8.703 -42.424 1.00 34.68 C ATOM 215 NH1 ARG B 88 15.523 9.712 -41.848 1.00 33.56 N ATOM 216 NH2 ARG B 88 15.353 7.474 -42.366 1.00 34.21 N ATOM 217 N ARG B 89 8.260 10.129 -42.447 1.00 33.52 N ATOM 218 CA ARG B 89 7.368 9.862 -41.322 1.00 32.67 C ATOM 219 C ARG B 89 7.771 8.571 -40.654 1.00 32.17 C ATOM 220 O ARG B 89 8.569 7.815 -41.196 1.00 32.18 O ATOM 221 CB ARG B 89 5.908 9.793 -41.803 1.00 32.31 C ATOM 222 CG ARG B 89 5.383 11.107 -42.386 1.00 31.52 C ATOM 223 CD ARG B 89 3.918 11.024 -42.796 1.00 28.70 C ATOM 224 NE ARG B 89 3.032 11.049 -41.638 1.00 27.41 N ATOM 225 CZ ARG B 89 1.707 10.901 -41.688 1.00 27.55 C ATOM 226 NH1 ARG B 89 1.092 10.695 -42.854 1.00 24.82 N ATOM 227 NH2 ARG B 89 0.994 10.955 -40.563 1.00 25.26 N ATOM 228 N SER B 90 7.239 8.323 -39.463 1.00 32.23 N ATOM 229 CA SER B 90 7.532 7.078 -38.755 1.00 31.62 C ATOM 230 C SER B 90 6.317 6.500 -38.045 1.00 31.46 C ATOM 231 O SER B 90 5.428 7.229 -37.609 1.00 31.61 O ATOM 232 CB SER B 90 8.691 7.269 -37.770 1.00 31.32 C ATOM 233 OG SER B 90 8.300 8.050 -36.656 1.00 30.91 O ATOM 234 N ARG B 91 6.299 5.177 -37.935 1.00 31.67 N ATOM 235 CA ARG B 91 5.282 4.459 -37.182 1.00 31.71 C ATOM 236 C ARG B 91 5.971 3.589 -36.127 1.00 31.93 C ATOM 237 O ARG B 91 6.908 2.842 -36.432 1.00 31.92 O ATOM 238 CB ARG B 91 4.407 3.628 -38.123 1.00 31.16 C ATOM 239 CG ARG B 91 3.409 2.680 -37.448 1.00 32.56 C ATOM 240 CD ARG B 91 2.123 3.351 -36.996 1.00 34.15 C ATOM 241 NE ARG B 91 1.348 3.922 -38.097 1.00 34.83 N ATOM 242 CZ ARG B 91 0.236 3.387 -38.603 1.00 35.90 C ATOM 243 NH1 ARG B 91 -0.255 2.236 -38.147 1.00 34.71 N ATOM 244 NH2 ARG B 91 -0.397 4.016 -39.575 1.00 37.23 N ATOM 245 N THR B 92 5.488 3.692 -34.895 1.00 31.50 N ATOM 246 CA THR B 92 6.090 3.031 -33.759 1.00 32.30 C ATOM 247 C THR B 92 5.497 1.642 -33.464 1.00 33.11 C ATOM 248 O THR B 92 4.273 1.476 -33.393 1.00 32.67 O ATOM 249 CB THR B 92 5.960 3.939 -32.517 1.00 32.29 C ATOM 250 OG1 THR B 92 6.730 5.140 -32.729 1.00 32.66 O ATOM 251 CG2 THR B 92 6.453 3.230 -31.283 1.00 31.70 C ATOM 252 N PHE B 93 6.382 0.664 -33.269 1.00 33.90 N ATOM 253 CA PHE B 93 5.991 -0.708 -32.935 1.00 35.01 C ATOM 254 C PHE B 93 6.709 -1.205 -31.677 1.00 36.46 C ATOM 255 O PHE B 93 7.852 -1.686 -31.747 1.00 36.59 O ATOM 256 CB PHE B 93 6.286 -1.647 -34.113 1.00 34.35 C ATOM 257 CG PHE B 93 5.448 -1.373 -35.333 1.00 32.41 C ATOM 258 CD1 PHE B 93 4.233 -2.052 -35.528 1.00 30.93 C ATOM 259 CD2 PHE B 93 5.863 -0.445 -36.280 1.00 29.42 C ATOM 260 CE1 PHE B 93 3.453 -1.808 -36.649 1.00 29.46 C ATOM 261 CE2 PHE B 93 5.092 -0.189 -37.414 1.00 29.24 C ATOM 262 CZ PHE B 93 3.879 -0.877 -37.599 1.00 28.44 C ATOM 263 N HIS B 94 6.044 -1.069 -30.531 1.00 37.95 N ATOM 264 CA HIS B 94 6.553 -1.607 -29.266 1.00 39.58 C ATOM 265 C HIS B 94 6.371 -3.121 -29.230 1.00 40.88 C ATOM 266 O HIS B 94 5.378 -3.638 -29.768 1.00 40.52 O ATOM 267 CB HIS B 94 5.795 -1.006 -28.077 1.00 39.53 C ATOM 268 CG HIS B 94 6.130 0.427 -27.813 1.00 39.94 C ATOM 269 ND1 HIS B 94 7.255 0.812 -27.116 1.00 39.25 N ATOM 270 CD2 HIS B 94 5.495 1.570 -28.165 1.00 39.55 C ATOM 271 CE1 HIS B 94 7.294 2.129 -27.040 1.00 40.32 C ATOM 272 NE2 HIS B 94 6.235 2.613 -27.665 1.00 39.67 N ATOM 273 N PRO B 95 7.311 -3.839 -28.581 1.00 42.20 N ATOM 274 CA PRO B 95 7.050 -5.252 -28.344 1.00 43.37 C ATOM 275 C PRO B 95 5.653 -5.433 -27.771 1.00 44.86 C ATOM 276 O PRO B 95 5.198 -4.642 -26.922 1.00 45.23 O ATOM 277 CB PRO B 95 8.112 -5.640 -27.315 1.00 43.39 C ATOM 278 CG PRO B 95 9.251 -4.706 -27.583 1.00 42.99 C ATOM 279 CD PRO B 95 8.625 -3.416 -28.057 1.00 42.28 C ATOM 280 N LYS B 96 4.965 -6.449 -28.267 1.00 46.40 N ATOM 281 CA LYS B 96 3.629 -6.783 -27.812 1.00 47.97 C ATOM 282 C LYS B 96 3.640 -6.979 -26.299 1.00 48.75 C ATOM 283 O LYS B 96 4.559 -7.611 -25.758 1.00 49.02 O ATOM 284 CB LYS B 96 3.139 -8.051 -28.524 1.00 48.32 C ATOM 285 CG LYS B 96 3.463 -8.100 -30.030 1.00 49.48 C ATOM 286 CD LYS B 96 2.798 -6.959 -30.808 1.00 51.12 C ATOM 287 CE LYS B 96 3.156 -7.015 -32.294 1.00 51.31 C ATOM 288 NZ LYS B 96 2.711 -5.779 -33.016 1.00 51.86 N ATOM 289 N HIS B 97 2.637 -6.403 -25.633 1.00 49.47 N ATOM 290 CA HIS B 97 2.463 -6.494 -24.177 1.00 50.51 C ATOM 291 C HIS B 97 3.683 -6.009 -23.381 1.00 50.78 C ATOM 292 O HIS B 97 3.951 -6.523 -22.287 1.00 50.92 O ATOM 293 CB HIS B 97 2.100 -7.928 -23.736 1.00 50.81 C ATOM 294 CG HIS B 97 1.052 -8.587 -24.582 1.00 52.38 C ATOM 295 ND1 HIS B 97 -0.289 -8.288 -24.476 1.00 53.48 N ATOM 296 CD2 HIS B 97 1.149 -9.541 -25.540 1.00 53.43 C ATOM 297 CE1 HIS B 97 -0.973 -9.026 -25.333 1.00 54.29 C ATOM 298 NE2 HIS B 97 -0.123 -9.794 -25.993 1.00 54.44 N ATOM 299 N PHE B 98 4.416 -5.028 -23.915 1.00 50.89 N ATOM 300 CA PHE B 98 5.625 -4.562 -23.235 1.00 51.30 C ATOM 301 C PHE B 98 5.330 -4.021 -21.836 1.00 51.48 C ATOM 302 O PHE B 98 6.016 -4.383 -20.887 1.00 51.37 O ATOM 303 CB PHE B 98 6.423 -3.537 -24.052 1.00 50.99 C ATOM 304 CG PHE B 98 7.701 -3.101 -23.372 1.00 50.95 C ATOM 305 CD1 PHE B 98 8.788 -3.974 -23.277 1.00 50.09 C ATOM 306 CD2 PHE B 98 7.806 -1.839 -22.788 1.00 50.25 C ATOM 307 CE1 PHE B 98 9.964 -3.591 -22.638 1.00 49.78 C ATOM 308 CE2 PHE B 98 8.987 -1.443 -22.146 1.00 50.19 C ATOM 309 CZ PHE B 98 10.063 -2.325 -22.065 1.00 49.52 C ATOM 310 N ASN B 99 4.305 -3.178 -21.719 1.00 52.13 N ATOM 311 CA ASN B 99 3.914 -2.605 -20.432 1.00 52.90 C ATOM 312 C ASN B 99 3.586 -3.676 -19.390 1.00 53.11 C ATOM 313 O ASN B 99 4.178 -3.678 -18.311 1.00 53.00 O ATOM 314 CB ASN B 99 2.740 -1.639 -20.607 1.00 53.16 C ATOM 315 CG ASN B 99 3.050 -0.515 -21.580 1.00 54.35 C ATOM 316 OD1 ASN B 99 4.186 -0.028 -21.659 1.00 55.48 O ATOM 317 ND2 ASN B 99 2.039 -0.099 -22.334 1.00 55.09 N ATOM 318 N MET B 100 2.666 -4.587 -19.733 1.00 53.41 N ATOM 319 CA MET B 100 2.312 -5.730 -18.874 1.00 53.71 C ATOM 320 C MET B 100 3.556 -6.472 -18.388 1.00 53.30 C ATOM 321 O MET B 100 3.764 -6.638 -17.181 1.00 53.29 O ATOM 322 CB MET B 100 1.431 -6.741 -19.618 1.00 54.10 C ATOM 323 CG MET B 100 0.005 -6.320 -19.923 1.00 56.04 C ATOM 324 SD MET B 100 -1.125 -7.746 -19.972 1.00 59.84 S ATOM 325 CE MET B 100 -0.316 -8.863 -21.126 1.00 59.08 C ATOM 326 N ASP B 101 4.375 -6.916 -19.340 1.00 52.82 N ATOM 327 CA ASP B 101 5.525 -7.770 -19.036 1.00 52.55 C ATOM 328 C ASP B 101 6.661 -7.046 -18.307 1.00 52.16 C ATOM 329 O ASP B 101 7.379 -7.666 -17.518 1.00 52.20 O ATOM 330 CB ASP B 101 6.026 -8.487 -20.299 1.00 52.39 C ATOM 331 CG ASP B 101 5.056 -9.577 -20.785 1.00 53.18 C ATOM 332 OD1 ASP B 101 4.121 -9.959 -20.031 1.00 52.65 O ATOM 333 OD2 ASP B 101 5.232 -10.058 -21.930 1.00 53.08 O ATOM 334 N LYS B 102 6.812 -5.745 -18.564 1.00 51.64 N ATOM 335 CA LYS B 102 7.789 -4.925 -17.842 1.00 51.29 C ATOM 336 C LYS B 102 7.360 -4.773 -16.380 1.00 50.62 C ATOM 337 O LYS B 102 8.175 -4.927 -15.464 1.00 50.24 O ATOM 338 CB LYS B 102 7.969 -3.547 -18.501 1.00 51.41 C ATOM 339 CG LYS B 102 9.077 -2.678 -17.869 1.00 51.47 C ATOM 340 CD LYS B 102 9.205 -1.336 -18.591 1.00 52.70 C ATOM 341 CE LYS B 102 10.203 -0.414 -17.897 1.00 54.42 C ATOM 342 NZ LYS B 102 10.051 1.000 -18.340 1.00 54.19 N ATOM 343 N GLU B 103 6.076 -4.486 -16.182 1.00 50.00 N ATOM 344 CA GLU B 103 5.496 -4.378 -14.849 1.00 49.68 C ATOM 345 C GLU B 103 5.575 -5.686 -14.051 1.00 49.49 C ATOM 346 O GLU B 103 5.883 -5.661 -12.852 1.00 49.51 O ATOM 347 CB GLU B 103 4.053 -3.856 -14.924 1.00 49.65 C ATOM 348 CG GLU B 103 3.356 -3.664 -13.563 1.00 49.49 C ATOM 349 CD GLU B 103 4.243 -2.975 -12.521 1.00 50.16 C ATOM 350 OE1 GLU B 103 4.962 -2.004 -12.864 1.00 48.98 O ATOM 351 OE2 GLU B 103 4.221 -3.416 -11.352 1.00 50.45 O ATOM 352 N LYS B 104 5.312 -6.814 -14.712 1.00 49.12 N ATOM 353 CA LYS B 104 5.435 -8.136 -14.075 1.00 49.08 C ATOM 354 C LYS B 104 6.888 -8.453 -13.714 1.00 48.76 C ATOM 355 O LYS B 104 7.152 -9.078 -12.680 1.00 49.02 O ATOM 356 CB LYS B 104 4.843 -9.244 -14.955 1.00 49.08 C ATOM 357 CG LYS B 104 3.331 -9.358 -14.853 1.00 50.16 C ATOM 358 CD LYS B 104 2.732 -10.165 -16.003 1.00 51.85 C ATOM 359 CE LYS B 104 1.218 -10.047 -16.002 1.00 52.55 C ATOM 360 NZ LYS B 104 0.606 -10.527 -17.271 1.00 53.87 N ATOM 361 N ALA B 105 7.817 -8.016 -14.568 1.00 48.05 N ATOM 362 CA ALA B 105 9.252 -8.124 -14.302 1.00 47.32 C ATOM 363 C ALA B 105 9.663 -7.252 -13.107 1.00 46.72 C ATOM 364 O ALA B 105 10.525 -7.645 -12.326 1.00 46.62 O ATOM 365 CB ALA B 105 10.061 -7.748 -15.546 1.00 47.24 C ATOM 366 N ARG B 106 9.039 -6.079 -12.973 1.00 46.11 N ATOM 367 CA ARG B 106 9.307 -5.175 -11.857 1.00 45.52 C ATOM 368 C ARG B 106 8.858 -5.769 -10.524 1.00 45.33 C ATOM 369 O ARG B 106 9.585 -5.683 -9.525 1.00 45.06 O ATOM 370 CB ARG B 106 8.641 -3.817 -12.068 1.00 45.60 C ATOM 371 CG ARG B 106 9.182 -2.746 -11.125 1.00 45.62 C ATOM 372 CD ARG B 106 8.365 -1.473 -11.177 1.00 45.84 C ATOM 373 NE ARG B 106 6.977 -1.695 -10.785 1.00 46.22 N ATOM 374 CZ ARG B 106 6.517 -1.625 -9.534 1.00 45.60 C ATOM 375 NH1 ARG B 106 7.334 -1.335 -8.524 1.00 44.10 N ATOM 376 NH2 ARG B 106 5.230 -1.845 -9.296 1.00 43.32 N ATOM 377 N LEU B 107 7.666 -6.371 -10.522 1.00 44.92 N ATOM 378 CA LEU B 107 7.127 -7.051 -9.341 1.00 44.82 C ATOM 379 C LEU B 107 8.021 -8.222 -8.919 1.00 44.73 C ATOM 380 O LEU B 107 8.419 -8.323 -7.748 1.00 44.51 O ATOM 381 CB LEU B 107 5.681 -7.501 -9.588 1.00 44.89 C ATOM 382 CG LEU B 107 4.634 -6.403 -9.852 1.00 44.95 C ATOM 383 CD1 LEU B 107 3.323 -6.997 -10.379 1.00 45.00 C ATOM 384 CD2 LEU B 107 4.376 -5.536 -8.608 1.00 44.75 C ATOM 385 N ALA B 108 8.367 -9.072 -9.885 1.00 44.71 N ATOM 386 CA ALA B 108 9.293 -10.183 -9.666 1.00 44.98 C ATOM 387 C ALA B 108 10.639 -9.732 -9.081 1.00 45.37 C ATOM 388 O ALA B 108 11.201 -10.408 -8.214 1.00 45.46 O ATOM 389 CB ALA B 108 9.498 -10.971 -10.963 1.00 44.65 C ATOM 390 N ALA B 109 11.142 -8.591 -9.551 1.00 45.47 N ATOM 391 CA ALA B 109 12.420 -8.043 -9.079 1.00 45.98 C ATOM 392 C ALA B 109 12.326 -7.465 -7.660 1.00 46.23 C ATOM 393 O ALA B 109 13.269 -7.578 -6.866 1.00 45.84 O ATOM 394 CB ALA B 109 12.946 -6.979 -10.061 1.00 45.27 C ATOM 395 N VAL B 110 11.192 -6.834 -7.359 1.00 46.90 N ATOM 396 CA VAL B 110 10.924 -6.302 -6.021 1.00 47.51 C ATOM 397 C VAL B 110 10.753 -7.448 -5.022 1.00 48.11 C ATOM 398 O VAL B 110 11.283 -7.387 -3.909 1.00 48.21 O ATOM 399 CB VAL B 110 9.685 -5.368 -6.030 1.00 47.57 C ATOM 400 CG1 VAL B 110 9.158 -5.115 -4.618 1.00 47.59 C ATOM 401 CG2 VAL B 110 10.018 -4.053 -6.731 1.00 47.51 C ATOM 402 N GLU B 111 10.022 -8.489 -5.436 1.00 49.12 N ATOM 403 CA GLU B 111 9.832 -9.700 -4.633 1.00 49.96 C ATOM 404 C GLU B 111 11.168 -10.334 -4.293 1.00 50.19 C ATOM 405 O GLU B 111 11.391 -10.729 -3.146 1.00 49.95 O ATOM 406 CB GLU B 111 8.963 -10.727 -5.364 1.00 50.31 C ATOM 407 CG GLU B 111 7.465 -10.570 -5.159 1.00 52.56 C ATOM 408 CD GLU B 111 6.643 -11.392 -6.152 1.00 56.42 C ATOM 409 OE1 GLU B 111 7.146 -12.435 -6.642 1.00 58.21 O ATOM 410 OE2 GLU B 111 5.489 -10.992 -6.445 1.00 57.21 O ATOM 411 N PHE B 112 12.054 -10.442 -5.286 1.00 50.54 N ATOM 412 CA PHE B 112 13.387 -10.979 -5.019 1.00 51.11 C ATOM 413 C PHE B 112 14.187 -10.065 -4.090 1.00 51.53 C ATOM 414 O PHE B 112 14.911 -10.543 -3.212 1.00 51.37 O ATOM 415 CB PHE B 112 14.197 -11.249 -6.294 1.00 50.68 C ATOM 416 CG PHE B 112 15.650 -11.552 -6.012 1.00 50.39 C ATOM 417 CD1 PHE B 112 16.029 -12.799 -5.511 1.00 50.25 C ATOM 418 CD2 PHE B 112 16.629 -10.572 -6.184 1.00 49.25 C ATOM 419 CE1 PHE B 112 17.363 -13.072 -5.210 1.00 50.24 C ATOM 420 CE2 PHE B 112 17.959 -10.834 -5.892 1.00 48.86 C ATOM 421 CZ PHE B 112 18.331 -12.087 -5.405 1.00 49.79 C ATOM 422 N MET B 113 14.068 -8.757 -4.317 1.00 52.11 N ATOM 423 CA MET B 113 14.765 -7.756 -3.512 1.00 52.93 C ATOM 424 C MET B 113 14.431 -7.899 -2.026 1.00 53.39 C ATOM 425 O MET B 113 15.315 -7.778 -1.176 1.00 53.51 O ATOM 426 CB MET B 113 14.443 -6.338 -4.011 1.00 52.74 C ATOM 427 CG MET B 113 15.210 -5.234 -3.298 1.00 53.32 C ATOM 428 SD MET B 113 17.002 -5.450 -3.366 1.00 53.44 S ATOM 429 CE MET B 113 17.303 -4.836 -4.979 1.00 55.43 C ATOM 430 N LYS B 114 13.159 -8.170 -1.734 1.00 54.09 N ATOM 431 CA LYS B 114 12.664 -8.330 -0.363 1.00 54.90 C ATOM 432 C LYS B 114 13.251 -9.559 0.334 1.00 55.55 C ATOM 433 O LYS B 114 13.488 -9.540 1.551 1.00 55.60 O ATOM 434 CB LYS B 114 11.138 -8.399 -0.355 1.00 54.66 C ATOM 435 CG LYS B 114 10.463 -7.087 -0.716 1.00 55.37 C ATOM 436 CD LYS B 114 8.962 -7.146 -0.485 1.00 56.37 C ATOM 437 CE LYS B 114 8.316 -5.789 -0.737 1.00 57.80 C ATOM 438 NZ LYS B 114 8.800 -4.754 0.229 1.00 59.12 N ATOM 439 N THR B 115 13.477 -10.612 -0.455 1.00 56.23 N ATOM 440 CA THR B 115 14.134 -11.847 -0.029 1.00 56.91 C ATOM 441 C THR B 115 15.551 -11.589 0.476 1.00 57.53 C ATOM 442 O THR B 115 16.063 -12.310 1.342 1.00 57.46 O ATOM 443 CB THR B 115 14.192 -12.846 -1.214 1.00 56.89 C ATOM 444 OG1 THR B 115 12.900 -13.429 -1.408 1.00 56.92 O ATOM 445 CG2 THR B 115 15.220 -13.952 -0.985 1.00 57.34 C ATOM 446 N VAL B 116 16.169 -10.543 -0.061 1.00 58.38 N ATOM 447 CA VAL B 116 17.579 -10.281 0.174 1.00 59.38 C ATOM 448 C VAL B 116 17.819 -8.984 0.992 1.00 60.12 C ATOM 449 O VAL B 116 18.917 -8.410 0.993 1.00 60.02 O ATOM 450 CB VAL B 116 18.343 -10.352 -1.177 1.00 59.32 C ATOM 451 CG1 VAL B 116 18.210 -9.063 -1.987 1.00 59.05 C ATOM 452 CG2 VAL B 116 19.772 -10.744 -0.956 1.00 60.06 C ATOM 453 N GLU B 117 16.786 -8.553 1.713 1.00 61.08 N ATOM 454 CA GLU B 117 16.877 -7.371 2.579 1.00 62.41 C ATOM 455 C GLU B 117 17.225 -7.740 4.018 1.00 63.49 C ATOM 456 O GLU B 117 16.413 -7.578 4.937 1.00 63.52 O ATOM 457 CB GLU B 117 15.585 -6.558 2.526 1.00 62.09 C ATOM 458 CG GLU B 117 15.490 -5.667 1.310 1.00 61.73 C ATOM 459 CD GLU B 117 14.110 -5.078 1.109 1.00 62.15 C ATOM 460 OE1 GLU B 117 13.182 -5.377 1.895 1.00 61.22 O ATOM 461 OE2 GLU B 117 13.953 -4.304 0.148 1.00 63.02 O ATOM 462 N ASN B 118 18.441 -8.257 4.188 1.00 65.01 N ATOM 463 CA ASN B 118 18.972 -8.661 5.489 1.00 66.63 C ATOM 464 C ASN B 118 20.490 -8.516 5.502 1.00 67.86 C ATOM 465 O ASN B 118 21.102 -8.237 4.469 1.00 68.11 O ATOM 466 CB ASN B 118 18.530 -10.089 5.844 1.00 66.33 C ATOM 467 CG ASN B 118 19.051 -11.126 4.862 1.00 66.83 C ATOM 468 OD1 ASN B 118 20.183 -11.599 4.985 1.00 66.92 O ATOM 469 ND2 ASN B 118 18.222 -11.491 3.885 1.00 66.08 N ATOM 470 N ASN B 119 21.099 -8.690 6.670 1.00 69.73 N ATOM 471 CA ASN B 119 22.555 -8.560 6.792 1.00 71.43 C ATOM 472 C ASN B 119 23.352 -9.876 6.876 1.00 72.67 C ATOM 473 O ASN B 119 24.589 -9.862 6.917 1.00 72.78 O ATOM 474 CB ASN B 119 22.943 -7.579 7.914 1.00 71.35 C ATOM 475 CG ASN B 119 22.322 -7.917 9.273 1.00 71.71 C ATOM 476 OD1 ASN B 119 22.464 -7.141 10.219 1.00 72.33 O ATOM 477 ND2 ASN B 119 21.648 -9.062 9.379 1.00 71.67 N ATOM 478 N GLY B 120 22.637 -11.000 6.884 1.00 74.11 N ATOM 479 CA GLY B 120 23.263 -12.319 6.847 1.00 75.91 C ATOM 480 C GLY B 120 23.810 -12.653 5.469 1.00 77.15 C ATOM 481 O GLY B 120 23.519 -11.961 4.483 1.00 77.04 O ATOM 482 N ARG B 121 24.611 -13.713 5.403 1.00 78.56 N ATOM 483 CA ARG B 121 25.138 -14.209 4.127 1.00 79.99 C ATOM 484 C ARG B 121 24.043 -14.840 3.253 1.00 80.63 C ATOM 485 O ARG B 121 23.046 -15.357 3.765 1.00 80.76 O ATOM 486 CB ARG B 121 26.289 -15.185 4.367 1.00 80.03 C ATOM 487 CG ARG B 121 27.563 -14.516 4.888 1.00 81.35 C ATOM 488 CD ARG B 121 28.261 -13.673 3.812 1.00 82.79 C ATOM 489 NE ARG B 121 28.636 -14.480 2.653 1.00 84.49 N ATOM 490 CZ ARG B 121 29.434 -14.075 1.669 1.00 85.63 C ATOM 491 NH1 ARG B 121 29.966 -12.856 1.682 1.00 85.97 N ATOM 492 NH2 ARG B 121 29.703 -14.899 0.666 1.00 86.19 N ATOM 493 N LYS B 122 24.241 -14.790 1.938 1.00 81.55 N ATOM 494 CA LYS B 122 23.204 -15.170 0.969 1.00 82.52 C ATOM 495 C LYS B 122 23.377 -16.574 0.385 1.00 83.06 C ATOM 496 O LYS B 122 24.387 -17.238 0.633 1.00 83.22 O ATOM 497 CB LYS B 122 23.139 -14.130 -0.162 1.00 82.55 C ATOM 498 CG LYS B 122 22.150 -12.995 0.081 1.00 82.70 C ATOM 499 CD LYS B 122 22.535 -12.113 1.260 1.00 82.78 C ATOM 500 CE LYS B 122 21.316 -11.457 1.883 1.00 82.48 C ATOM 501 NZ LYS B 122 21.692 -10.437 2.894 1.00 82.30 N ATOM 502 N LYS B 123 22.379 -17.013 -0.385 1.00 83.88 N ATOM 503 CA LYS B 123 22.443 -18.281 -1.125 1.00 84.51 C ATOM 504 C LYS B 123 23.303 -18.168 -2.385 1.00 84.71 C ATOM 505 O LYS B 123 24.350 -17.510 -2.386 1.00 85.00 O ATOM 506 CB LYS B 123 21.044 -18.758 -1.514 1.00 84.65 C ATOM 507 CG LYS B 123 20.248 -19.383 -0.376 1.00 85.65 C ATOM 508 CD LYS B 123 19.202 -20.387 -0.901 1.00 87.48 C ATOM 509 CE LYS B 123 18.074 -19.721 -1.703 1.00 88.15 C ATOM 510 NZ LYS B 123 17.205 -18.837 -0.864 1.00 88.89 N TER 511 LYS B 123 ATOM 512 O5' DT W 1 6.166 7.799 -23.767 1.00 64.08 O ATOM 513 C5' DT W 1 4.930 7.255 -23.297 1.00 63.79 C ATOM 514 C4' DT W 1 3.879 7.340 -24.388 1.00 63.65 C ATOM 515 O4' DT W 1 3.367 8.701 -24.506 1.00 65.88 O ATOM 516 C3' DT W 1 4.391 6.953 -25.779 1.00 61.44 C ATOM 517 O3' DT W 1 3.565 5.929 -26.334 1.00 56.19 O ATOM 518 C2' DT W 1 4.305 8.258 -26.568 1.00 64.06 C ATOM 519 C1' DT W 1 3.125 8.933 -25.885 1.00 67.26 C ATOM 520 N1 DT W 1 2.910 10.402 -26.246 1.00 70.76 N ATOM 521 C2 DT W 1 3.829 11.409 -25.929 1.00 71.91 C ATOM 522 O2 DT W 1 4.886 11.246 -25.333 1.00 71.57 O ATOM 523 N3 DT W 1 3.459 12.672 -26.346 1.00 72.95 N ATOM 524 C4 DT W 1 2.308 13.043 -27.034 1.00 73.95 C ATOM 525 O4 DT W 1 2.087 14.214 -27.352 1.00 74.45 O ATOM 526 C5 DT W 1 1.397 11.955 -27.341 1.00 73.74 C ATOM 527 C7 DT W 1 0.111 12.215 -28.081 1.00 73.74 C ATOM 528 C6 DT W 1 1.742 10.713 -26.939 1.00 72.56 C ATOM 529 P DG W 2 4.007 5.073 -27.618 1.00 51.49 P ATOM 530 OP1 DG W 2 3.164 3.854 -27.654 1.00 51.90 O ATOM 531 OP2 DG W 2 5.485 4.970 -27.636 1.00 51.91 O ATOM 532 O5' DG W 2 3.618 6.007 -28.845 1.00 49.00 O ATOM 533 C5' DG W 2 2.271 6.322 -29.156 1.00 45.03 C ATOM 534 C4' DG W 2 2.292 7.277 -30.328 1.00 42.72 C ATOM 535 O4' DG W 2 3.040 8.468 -29.966 1.00 42.23 O ATOM 536 C3' DG W 2 2.954 6.715 -31.585 1.00 41.35 C ATOM 537 O3' DG W 2 2.188 7.119 -32.721 1.00 41.12 O ATOM 538 C2' DG W 2 4.361 7.320 -31.595 1.00 40.83 C ATOM 539 C1' DG W 2 4.197 8.603 -30.779 1.00 40.85 C ATOM 540 N9 DG W 2 5.349 8.885 -29.924 1.00 38.95 N ATOM 541 C8 DG W 2 6.123 7.974 -29.251 1.00 38.99 C ATOM 542 N7 DG W 2 7.088 8.510 -28.561 1.00 39.38 N ATOM 543 C5 DG W 2 6.945 9.872 -28.792 1.00 38.88 C ATOM 544 C6 DG W 2 7.722 10.951 -28.311 1.00 38.19 C ATOM 545 O6 DG W 2 8.698 10.886 -27.559 1.00 36.32 O ATOM 546 N1 DG W 2 7.255 12.182 -28.768 1.00 37.73 N ATOM 547 C2 DG W 2 6.173 12.345 -29.614 1.00 38.79 C ATOM 548 N2 DG W 2 5.869 13.598 -29.974 1.00 37.05 N ATOM 549 N3 DG W 2 5.437 11.336 -30.089 1.00 39.40 N ATOM 550 C4 DG W 2 5.885 10.124 -29.637 1.00 39.54 C ATOM 551 P DC W 3 2.632 6.817 -34.226 1.00 39.84 P ATOM 552 OP1 DC W 3 1.423 6.878 -35.072 1.00 41.18 O ATOM 553 OP2 DC W 3 3.492 5.605 -34.250 1.00 38.46 O ATOM 554 O5' DC W 3 3.496 8.116 -34.584 1.00 40.01 O ATOM 555 C5' DC W 3 2.876 9.402 -34.504 1.00 40.27 C ATOM 556 C4' DC W 3 3.915 10.500 -34.615 1.00 39.75 C ATOM 557 O4' DC W 3 4.867 10.362 -33.539 1.00 39.45 O ATOM 558 C3' DC W 3 4.768 10.444 -35.879 1.00 39.14 C ATOM 559 O3' DC W 3 4.180 11.330 -36.815 1.00 39.81 O ATOM 560 C2' DC W 3 6.173 10.864 -35.426 1.00 38.67 C ATOM 561 C1' DC W 3 6.021 11.076 -33.926 1.00 37.83 C ATOM 562 N1 DC W 3 7.121 10.562 -33.073 1.00 37.70 N ATOM 563 C2 DC W 3 8.009 11.507 -32.523 1.00 37.71 C ATOM 564 O2 DC W 3 7.858 12.718 -32.768 1.00 39.66 O ATOM 565 N3 DC W 3 9.005 11.054 -31.733 1.00 36.21 N ATOM 566 C4 DC W 3 9.147 9.743 -31.480 1.00 35.11 C ATOM 567 N4 DC W 3 10.159 9.386 -30.671 1.00 33.31 N ATOM 568 C5 DC W 3 8.257 8.764 -32.042 1.00 34.24 C ATOM 569 C6 DC W 3 7.268 9.215 -32.832 1.00 35.26 C ATOM 570 P DA W 4 4.802 11.625 -38.251 1.00 40.64 P ATOM 571 OP1 DA W 4 3.715 12.166 -39.098 1.00 40.78 O ATOM 572 OP2 DA W 4 5.619 10.462 -38.661 1.00 40.82 O ATOM 573 O5' DA W 4 5.822 12.819 -37.956 1.00 43.57 O ATOM 574 C5' DA W 4 5.394 14.002 -37.249 1.00 45.19 C ATOM 575 C4' DA W 4 6.543 14.998 -37.253 1.00 45.98 C ATOM 576 O4' DA W 4 7.605 14.512 -36.402 1.00 44.83 O ATOM 577 C3' DA W 4 7.201 15.216 -38.610 1.00 46.85 C ATOM 578 O3' DA W 4 7.569 16.590 -38.683 1.00 49.55 O ATOM 579 C2' DA W 4 8.404 14.263 -38.629 1.00 45.62 C ATOM 580 C1' DA W 4 8.766 14.160 -37.147 1.00 45.00 C ATOM 581 N9 DA W 4 9.209 12.844 -36.674 1.00 43.20 N ATOM 582 C8 DA W 4 8.821 11.607 -37.113 1.00 41.79 C ATOM 583 N7 DA W 4 9.401 10.611 -36.476 1.00 42.31 N ATOM 584 C5 DA W 4 10.218 11.234 -35.536 1.00 41.92 C ATOM 585 C6 DA W 4 11.111 10.758 -34.549 1.00 41.98 C ATOM 586 N6 DA W 4 11.327 9.454 -34.301 1.00 42.07 N ATOM 587 N1 DA W 4 11.780 11.681 -33.794 1.00 42.34 N ATOM 588 C2 DA W 4 11.578 12.983 -34.007 1.00 41.18 C ATOM 589 N3 DA W 4 10.775 13.544 -34.911 1.00 42.88 N ATOM 590 C4 DA W 4 10.115 12.617 -35.650 1.00 43.28 C ATOM 591 P DT W 5 8.395 17.212 -39.914 1.00 50.53 P ATOM 592 OP1 DT W 5 7.802 18.548 -40.154 1.00 51.43 O ATOM 593 OP2 DT W 5 8.495 16.239 -41.031 1.00 51.63 O ATOM 594 O5' DT W 5 9.857 17.363 -39.306 1.00 50.53 O ATOM 595 C5' DT W 5 10.043 18.003 -38.056 1.00 50.19 C ATOM 596 C4' DT W 5 11.481 17.816 -37.640 1.00 50.02 C ATOM 597 O4' DT W 5 11.683 16.443 -37.242 1.00 50.48 O ATOM 598 C3' DT W 5 12.530 18.096 -38.714 1.00 49.36 C ATOM 599 O3' DT W 5 13.428 19.010 -38.099 1.00 48.73 O ATOM 600 C2' DT W 5 13.137 16.721 -39.013 1.00 49.52 C ATOM 601 C1' DT W 5 12.966 16.049 -37.656 1.00 49.37 C ATOM 602 N1 DT W 5 12.973 14.557 -37.608 1.00 49.39 N ATOM 603 C2 DT W 5 13.705 13.944 -36.603 1.00 49.55 C ATOM 604 O2 DT W 5 14.366 14.558 -35.781 1.00 49.65 O ATOM 605 N3 DT W 5 13.655 12.568 -36.612 1.00 48.72 N ATOM 606 C4 DT W 5 12.943 11.768 -37.490 1.00 47.78 C ATOM 607 O4 DT W 5 12.972 10.550 -37.396 1.00 46.22 O ATOM 608 C5 DT W 5 12.188 12.467 -38.509 1.00 49.03 C ATOM 609 C7 DT W 5 11.378 11.709 -39.525 1.00 49.53 C ATOM 610 C6 DT W 5 12.235 13.812 -38.516 1.00 49.17 C ATOM 611 P DG W 6 14.754 19.646 -38.739 1.00 47.54 P ATOM 612 OP1 DG W 6 14.716 21.094 -38.440 1.00 47.51 O ATOM 613 OP2 DG W 6 14.995 19.161 -40.118 1.00 47.68 O ATOM 614 O5' DG W 6 15.865 18.957 -37.829 1.00 47.34 O ATOM 615 C5' DG W 6 15.750 18.923 -36.400 1.00 46.59 C ATOM 616 C4' DG W 6 17.029 18.345 -35.811 1.00 46.43 C ATOM 617 O4' DG W 6 17.032 16.900 -35.844 1.00 44.80 O ATOM 618 C3' DG W 6 18.313 18.731 -36.530 1.00 47.29 C ATOM 619 O3' DG W 6 19.315 18.899 -35.533 1.00 49.46 O ATOM 620 C2' DG W 6 18.577 17.565 -37.494 1.00 45.83 C ATOM 621 C1' DG W 6 18.034 16.387 -36.703 1.00 44.55 C ATOM 622 N9 DG W 6 17.338 15.338 -37.443 1.00 43.81 N ATOM 623 C8 DG W 6 16.324 15.513 -38.350 1.00 43.16 C ATOM 624 N7 DG W 6 15.866 14.393 -38.833 1.00 44.15 N ATOM 625 C5 DG W 6 16.611 13.407 -38.187 1.00 42.38 C ATOM 626 C6 DG W 6 16.559 11.995 -38.302 1.00 41.46 C ATOM 627 O6 DG W 6 15.794 11.326 -39.012 1.00 39.50 O ATOM 628 N1 DG W 6 17.494 11.354 -37.480 1.00 39.88 N ATOM 629 C2 DG W 6 18.370 12.006 -36.643 1.00 41.03 C ATOM 630 N2 DG W 6 19.198 11.237 -35.915 1.00 38.96 N ATOM 631 N3 DG W 6 18.420 13.332 -36.525 1.00 41.91 N ATOM 632 C4 DG W 6 17.516 13.970 -37.319 1.00 42.77 C ATOM 633 P DC W 7 20.800 19.344 -35.927 1.00 52.16 P ATOM 634 OP1 DC W 7 21.327 20.102 -34.764 1.00 51.52 O ATOM 635 OP2 DC W 7 20.785 19.952 -37.283 1.00 51.63 O ATOM 636 O5' DC W 7 21.554 17.933 -36.050 1.00 51.87 O ATOM 637 C5' DC W 7 21.597 17.045 -34.932 1.00 51.48 C ATOM 638 C4' DC W 7 22.474 15.842 -35.228 1.00 51.18 C ATOM 639 O4' DC W 7 21.743 14.879 -36.024 1.00 50.75 O ATOM 640 C3' DC W 7 23.750 16.135 -36.005 1.00 51.90 C ATOM 641 O3' DC W 7 24.840 15.502 -35.309 1.00 52.31 O ATOM 642 C2' DC W 7 23.476 15.588 -37.417 1.00 50.71 C ATOM 643 C1' DC W 7 22.518 14.440 -37.123 1.00 50.33 C ATOM 644 N1 DC W 7 21.522 13.996 -38.180 1.00 50.15 N ATOM 645 C2 DC W 7 21.369 12.619 -38.446 1.00 49.80 C ATOM 646 O2 DC W 7 22.070 11.792 -37.842 1.00 49.06 O ATOM 647 N3 DC W 7 20.452 12.221 -39.378 1.00 49.77 N ATOM 648 C4 DC W 7 19.697 13.121 -40.020 1.00 50.33 C ATOM 649 N4 DC W 7 18.813 12.665 -40.921 1.00 49.54 N ATOM 650 C5 DC W 7 19.836 14.528 -39.763 1.00 50.43 C ATOM 651 C6 DC W 7 20.738 14.914 -38.841 1.00 50.37 C ATOM 652 P DA W 8 26.361 15.789 -35.718 1.00 54.06 P ATOM 653 OP1 DA W 8 27.226 15.556 -34.535 1.00 54.61 O ATOM 654 OP2 DA W 8 26.412 17.092 -36.430 1.00 52.78 O ATOM 655 O5' DA W 8 26.616 14.602 -36.772 1.00 53.83 O ATOM 656 C5' DA W 8 26.810 13.240 -36.352 1.00 51.53 C ATOM 657 C4' DA W 8 27.156 12.375 -37.555 1.00 50.20 C ATOM 658 O4' DA W 8 25.973 12.218 -38.382 1.00 49.00 O ATOM 659 C3' DA W 8 28.251 12.927 -38.480 1.00 49.75 C ATOM 660 O3' DA W 8 29.101 11.877 -38.920 1.00 50.19 O ATOM 661 C2' DA W 8 27.487 13.511 -39.663 1.00 49.15 C ATOM 662 C1' DA W 8 26.329 12.508 -39.726 1.00 48.24 C ATOM 663 N9 DA W 8 25.146 12.950 -40.460 1.00 46.15 N ATOM 664 C8 DA W 8 24.770 14.230 -40.791 1.00 46.16 C ATOM 665 N7 DA W 8 23.642 14.293 -41.466 1.00 46.28 N ATOM 666 C5 DA W 8 23.261 12.960 -41.581 1.00 45.45 C ATOM 667 C6 DA W 8 22.159 12.329 -42.186 1.00 45.33 C ATOM 668 N6 DA W 8 21.193 13.015 -42.810 1.00 45.60 N ATOM 669 N1 DA W 8 22.075 10.975 -42.112 1.00 45.10 N ATOM 670 C2 DA W 8 23.034 10.285 -41.489 1.00 44.47 C ATOM 671 N3 DA W 8 24.116 10.776 -40.881 1.00 45.54 N ATOM 672 C4 DA W 8 24.174 12.121 -40.968 1.00 45.66 C TER 673 DA W 8 ATOM 674 O5' DT X 1 15.939 6.080 -46.099 1.00 46.85 O ATOM 675 C5' DT X 1 17.042 5.407 -46.748 1.00 47.50 C ATOM 676 C4' DT X 1 18.199 5.008 -45.812 1.00 47.00 C ATOM 677 O4' DT X 1 19.218 6.050 -45.794 1.00 46.12 O ATOM 678 C3' DT X 1 17.872 4.689 -44.348 1.00 45.89 C ATOM 679 O3' DT X 1 17.911 3.270 -44.157 1.00 48.57 O ATOM 680 C2' DT X 1 18.976 5.343 -43.519 1.00 45.65 C ATOM 681 C1' DT X 1 19.636 6.328 -44.461 1.00 44.44 C ATOM 682 N1 DT X 1 19.393 7.792 -44.224 1.00 42.89 N ATOM 683 C2 DT X 1 20.324 8.519 -43.496 1.00 42.14 C ATOM 684 O2 DT X 1 21.308 8.018 -42.988 1.00 41.52 O ATOM 685 N3 DT X 1 20.048 9.862 -43.373 1.00 41.57 N ATOM 686 C4 DT X 1 18.948 10.532 -43.905 1.00 43.28 C ATOM 687 O4 DT X 1 18.778 11.740 -43.738 1.00 44.55 O ATOM 688 C5 DT X 1 18.019 9.714 -44.667 1.00 43.02 C ATOM 689 C7 DT X 1 16.799 10.316 -45.294 1.00 43.21 C ATOM 690 C6 DT X 1 18.285 8.406 -44.791 1.00 42.40 C ATOM 691 P DG X 2 17.186 2.516 -42.923 1.00 48.85 P ATOM 692 OP1 DG X 2 17.015 1.117 -43.375 1.00 49.06 O ATOM 693 OP2 DG X 2 16.029 3.327 -42.469 1.00 49.16 O ATOM 694 O5' DG X 2 18.232 2.517 -41.715 1.00 48.80 O ATOM 695 C5' DG X 2 19.577 1.972 -41.801 1.00 47.44 C ATOM 696 C4' DG X 2 20.353 2.303 -40.519 1.00 45.74 C ATOM 697 O4' DG X 2 20.489 3.742 -40.412 1.00 43.48 O ATOM 698 C3' DG X 2 19.711 1.890 -39.192 1.00 45.54 C ATOM 699 O3' DG X 2 20.706 1.574 -38.209 1.00 45.84 O ATOM 700 C2' DG X 2 18.897 3.122 -38.786 1.00 44.87 C ATOM 701 C1' DG X 2 19.779 4.251 -39.294 1.00 43.10 C ATOM 702 N9 DG X 2 19.095 5.432 -39.801 1.00 41.88 N ATOM 703 C8 DG X 2 17.969 5.514 -40.582 1.00 42.16 C ATOM 704 N7 DG X 2 17.638 6.742 -40.894 1.00 40.99 N ATOM 705 C5 DG X 2 18.614 7.515 -40.279 1.00 40.49 C ATOM 706 C6 DG X 2 18.801 8.915 -40.255 1.00 39.65 C ATOM 707 O6 DG X 2 18.106 9.784 -40.785 1.00 39.83 O ATOM 708 N1 DG X 2 19.916 9.280 -39.508 1.00 39.16 N ATOM 709 C2 DG X 2 20.768 8.405 -38.874 1.00 39.93 C ATOM 710 N2 DG X 2 21.812 8.931 -38.204 1.00 39.39 N ATOM 711 N3 DG X 2 20.612 7.091 -38.896 1.00 40.71 N ATOM 712 C4 DG X 2 19.520 6.723 -39.613 1.00 41.30 C ATOM 713 P DC X 3 20.312 0.893 -36.810 1.00 48.65 P ATOM 714 OP1 DC X 3 21.545 0.364 -36.187 1.00 48.14 O ATOM 715 OP2 DC X 3 19.191 -0.047 -37.083 1.00 49.41 O ATOM 716 O5' DC X 3 19.751 2.110 -35.911 1.00 48.57 O ATOM 717 C5' DC X 3 20.645 2.872 -35.110 1.00 47.01 C ATOM 718 C4' DC X 3 20.107 4.229 -34.682 1.00 45.50 C ATOM 719 O4' DC X 3 19.572 5.021 -35.775 1.00 44.33 O ATOM 720 C3' DC X 3 19.039 4.224 -33.592 1.00 46.10 C ATOM 721 O3' DC X 3 19.583 5.024 -32.587 1.00 46.80 O ATOM 722 C2' DC X 3 17.868 4.971 -34.211 1.00 44.04 C ATOM 723 C1' DC X 3 18.637 5.885 -35.168 1.00 43.00 C ATOM 724 N1 DC X 3 17.771 6.564 -36.181 1.00 41.06 N ATOM 725 C2 DC X 3 17.926 7.940 -36.424 1.00 39.76 C ATOM 726 O2 DC X 3 18.781 8.579 -35.807 1.00 40.99 O ATOM 727 N3 DC X 3 17.128 8.538 -37.341 1.00 39.08 N ATOM 728 C4 DC X 3 16.209 7.816 -37.988 1.00 38.06 C ATOM 729 N4 DC X 3 15.436 8.439 -38.873 1.00 39.34 N ATOM 730 C5 DC X 3 16.042 6.420 -37.762 1.00 38.02 C ATOM 731 C6 DC X 3 16.831 5.835 -36.856 1.00 38.56 C ATOM 732 P DA X 4 19.442 4.782 -31.024 1.00 46.62 P ATOM 733 OP1 DA X 4 20.518 3.852 -30.628 1.00 48.39 O ATOM 734 OP2 DA X 4 18.049 4.516 -30.601 1.00 46.36 O ATOM 735 O5' DA X 4 19.807 6.277 -30.572 1.00 48.14 O ATOM 736 C5' DA X 4 20.867 6.997 -31.248 1.00 47.07 C ATOM 737 C4' DA X 4 20.817 8.505 -31.046 1.00 45.73 C ATOM 738 O4' DA X 4 19.999 9.157 -32.049 1.00 45.12 O ATOM 739 C3' DA X 4 20.250 9.013 -29.736 1.00 46.67 C ATOM 740 O3' DA X 4 20.935 10.225 -29.451 1.00 47.75 O ATOM 741 C2' DA X 4 18.767 9.238 -30.045 1.00 44.79 C ATOM 742 C1' DA X 4 18.841 9.756 -31.477 1.00 44.02 C ATOM 743 N9 DA X 4 17.730 9.378 -32.343 1.00 42.87 N ATOM 744 C8 DA X 4 17.242 8.103 -32.509 1.00 41.97 C ATOM 745 N7 DA X 4 16.256 8.028 -33.367 1.00 41.63 N ATOM 746 C5 DA X 4 16.075 9.327 -33.815 1.00 40.92 C ATOM 747 C6 DA X 4 15.176 9.900 -34.743 1.00 41.94 C ATOM 748 N6 DA X 4 14.247 9.193 -35.408 1.00 42.09 N ATOM 749 N1 DA X 4 15.257 11.232 -34.971 1.00 41.96 N ATOM 750 C2 DA X 4 16.187 11.944 -34.299 1.00 41.83 C ATOM 751 N3 DA X 4 17.083 11.516 -33.408 1.00 41.87 N ATOM 752 C4 DA X 4 16.986 10.182 -33.202 1.00 43.08 C ATOM 753 P DT X 5 20.661 10.994 -28.082 1.00 48.84 P ATOM 754 OP1 DT X 5 21.909 11.710 -27.732 1.00 51.22 O ATOM 755 OP2 DT X 5 20.081 10.028 -27.117 1.00 49.36 O ATOM 756 O5' DT X 5 19.544 12.077 -28.491 1.00 47.88 O ATOM 757 C5' DT X 5 19.853 13.152 -29.387 1.00 46.06 C ATOM 758 C4' DT X 5 18.599 13.925 -29.759 1.00 44.80 C ATOM 759 O4' DT X 5 17.668 13.025 -30.391 1.00 43.21 O ATOM 760 C3' DT X 5 17.815 14.511 -28.592 1.00 44.53 C ATOM 761 O3' DT X 5 18.087 15.909 -28.513 1.00 45.93 O ATOM 762 C2' DT X 5 16.341 14.229 -28.900 1.00 42.40 C ATOM 763 C1' DT X 5 16.367 13.554 -30.261 1.00 41.50 C ATOM 764 N1 DT X 5 15.451 12.387 -30.528 1.00 40.26 N ATOM 765 C2 DT X 5 14.486 12.510 -31.508 1.00 40.01 C ATOM 766 O2 DT X 5 14.308 13.531 -32.143 1.00 40.64 O ATOM 767 N3 DT X 5 13.716 11.387 -31.731 1.00 39.97 N ATOM 768 C4 DT X 5 13.811 10.178 -31.068 1.00 39.28 C ATOM 769 O4 DT X 5 13.062 9.245 -31.342 1.00 40.06 O ATOM 770 C5 DT X 5 14.838 10.107 -30.044 1.00 39.59 C ATOM 771 C7 DT X 5 15.047 8.847 -29.245 1.00 38.39 C ATOM 772 C6 DT X 5 15.603 11.197 -29.832 1.00 39.26 C ATOM 773 P DG X 6 17.602 16.777 -27.254 1.00 47.52 P ATOM 774 OP1 DG X 6 18.635 17.826 -27.033 1.00 48.97 O ATOM 775 OP2 DG X 6 17.215 15.888 -26.127 1.00 46.61 O ATOM 776 O5' DG X 6 16.268 17.470 -27.802 1.00 46.79 O ATOM 777 C5' DG X 6 16.272 18.266 -28.990 1.00 46.12 C ATOM 778 C4' DG X 6 14.859 18.741 -29.279 1.00 46.21 C ATOM 779 O4' DG X 6 14.045 17.612 -29.701 1.00 45.39 O ATOM 780 C3' DG X 6 14.120 19.385 -28.106 1.00 46.50 C ATOM 781 O3' DG X 6 13.475 20.565 -28.586 1.00 47.57 O ATOM 782 C2' DG X 6 13.149 18.299 -27.611 1.00 46.28 C ATOM 783 C1' DG X 6 12.926 17.441 -28.853 1.00 45.23 C ATOM 784 N9 DG X 6 12.800 15.996 -28.635 1.00 44.28 N ATOM 785 C8 DG X 6 13.467 15.203 -27.735 1.00 44.22 C ATOM 786 N7 DG X 6 13.126 13.941 -27.811 1.00 44.10 N ATOM 787 C5 DG X 6 12.178 13.885 -28.826 1.00 42.74 C ATOM 788 C6 DG X 6 11.433 12.793 -29.372 1.00 41.81 C ATOM 789 O6 DG X 6 11.457 11.593 -29.065 1.00 41.44 O ATOM 790 N1 DG X 6 10.567 13.188 -30.392 1.00 39.75 N ATOM 791 C2 DG X 6 10.430 14.474 -30.839 1.00 41.66 C ATOM 792 N2 DG X 6 9.549 14.660 -31.833 1.00 40.90 N ATOM 793 N3 DG X 6 11.117 15.510 -30.341 1.00 43.18 N ATOM 794 C4 DG X 6 11.969 15.148 -29.339 1.00 43.36 C ATOM 795 P DC X 7 12.476 21.425 -27.675 1.00 49.52 P ATOM 796 OP1 DC X 7 12.504 22.813 -28.186 1.00 49.43 O ATOM 797 OP2 DC X 7 12.771 21.150 -26.248 1.00 48.81 O ATOM 798 O5' DC X 7 11.039 20.793 -27.993 1.00 49.39 O ATOM 799 C5' DC X 7 10.428 20.840 -29.290 1.00 48.66 C ATOM 800 C4' DC X 7 9.094 20.111 -29.235 1.00 48.13 C ATOM 801 O4' DC X 7 9.338 18.699 -29.045 1.00 46.74 O ATOM 802 C3' DC X 7 8.187 20.529 -28.073 1.00 48.53 C ATOM 803 O3' DC X 7 6.947 20.931 -28.595 1.00 50.13 O ATOM 804 C2' DC X 7 8.045 19.288 -27.189 1.00 47.43 C ATOM 805 C1' DC X 7 8.328 18.190 -28.209 1.00 45.72 C ATOM 806 N1 DC X 7 8.798 16.883 -27.670 1.00 43.81 N ATOM 807 C2 DC X 7 8.248 15.708 -28.219 1.00 42.72 C ATOM 808 O2 DC X 7 7.390 15.800 -29.117 1.00 41.60 O ATOM 809 N3 DC X 7 8.672 14.505 -27.741 1.00 41.10 N ATOM 810 C4 DC X 7 9.594 14.453 -26.765 1.00 42.10 C ATOM 811 N4 DC X 7 9.973 13.243 -26.330 1.00 41.38 N ATOM 812 C5 DC X 7 10.178 15.640 -26.197 1.00 41.42 C ATOM 813 C6 DC X 7 9.753 16.822 -26.680 1.00 42.88 C ATOM 814 P DA X 8 6.144 22.117 -27.894 1.00 51.63 P ATOM 815 OP1 DA X 8 5.073 22.508 -28.837 1.00 51.95 O ATOM 816 OP2 DA X 8 7.120 23.122 -27.418 1.00 50.91 O ATOM 817 O5' DA X 8 5.500 21.396 -26.608 1.00 52.80 O ATOM 818 C5' DA X 8 4.409 20.465 -26.728 1.00 53.93 C ATOM 819 C4' DA X 8 3.659 20.254 -25.412 1.00 54.47 C ATOM 820 O4' DA X 8 4.468 19.493 -24.474 1.00 55.06 O ATOM 821 C3' DA X 8 3.209 21.497 -24.647 1.00 54.60 C ATOM 822 O3' DA X 8 1.920 21.252 -24.095 1.00 55.00 O ATOM 823 C2' DA X 8 4.265 21.652 -23.555 1.00 54.40 C ATOM 824 C1' DA X 8 4.622 20.201 -23.252 1.00 54.96 C ATOM 825 N9 DA X 8 6.001 19.991 -22.807 1.00 55.71 N ATOM 826 C8 DA X 8 7.134 20.506 -23.391 1.00 56.13 C ATOM 827 N7 DA X 8 8.254 20.156 -22.803 1.00 55.96 N ATOM 828 C5 DA X 8 7.833 19.343 -21.759 1.00 55.78 C ATOM 829 C6 DA X 8 8.550 18.647 -20.758 1.00 55.79 C ATOM 830 N6 DA X 8 9.889 18.680 -20.667 1.00 55.70 N ATOM 831 N1 DA X 8 7.832 17.923 -19.858 1.00 55.82 N ATOM 832 C2 DA X 8 6.489 17.896 -19.964 1.00 55.32 C ATOM 833 N3 DA X 8 5.708 18.509 -20.863 1.00 54.97 N ATOM 834 C4 DA X 8 6.445 19.225 -21.743 1.00 55.65 C TER 835 DA X 8 ATOM 836 N MET A 62 14.119 5.899 -7.196 1.00 52.33 N ATOM 837 CA MET A 62 14.554 4.829 -8.165 1.00 53.17 C ATOM 838 C MET A 62 13.608 4.716 -9.358 1.00 52.68 C ATOM 839 O MET A 62 12.487 5.214 -9.303 1.00 52.79 O ATOM 840 CB MET A 62 14.668 3.464 -7.477 1.00 53.27 C ATOM 841 CG MET A 62 13.467 3.121 -6.608 1.00 55.03 C ATOM 842 SD MET A 62 13.555 3.739 -4.892 1.00 57.47 S ATOM 843 CE MET A 62 11.851 4.279 -4.647 1.00 58.19 C ATOM 844 N SER A 63 14.060 4.052 -10.421 1.00 52.52 N ATOM 845 CA SER A 63 13.233 3.862 -11.627 1.00 52.46 C ATOM 846 C SER A 63 12.073 2.876 -11.406 1.00 52.35 C ATOM 847 O SER A 63 11.030 2.980 -12.058 1.00 52.65 O ATOM 848 CB SER A 63 14.087 3.463 -12.839 1.00 52.16 C ATOM 849 OG SER A 63 15.072 2.511 -12.482 1.00 51.98 O ATOM 850 N SER A 64 12.257 1.921 -10.495 1.00 52.03 N ATOM 851 CA SER A 64 11.137 1.125 -10.004 1.00 51.87 C ATOM 852 C SER A 64 10.474 1.932 -8.895 1.00 51.78 C ATOM 853 O SER A 64 10.901 3.051 -8.590 1.00 52.58 O ATOM 854 CB SER A 64 11.606 -0.245 -9.501 1.00 51.86 C ATOM 855 OG SER A 64 12.419 -0.141 -8.346 1.00 51.77 O ATOM 856 N GLY A 65 9.430 1.407 -8.279 1.00 51.10 N ATOM 857 CA GLY A 65 8.892 2.115 -7.114 1.00 50.36 C ATOM 858 C GLY A 65 9.624 1.774 -5.823 1.00 49.49 C ATOM 859 O GLY A 65 9.139 2.090 -4.733 1.00 49.23 O ATOM 860 N TYR A 66 10.799 1.146 -5.944 1.00 48.80 N ATOM 861 CA TYR A 66 11.380 0.397 -4.825 1.00 47.79 C ATOM 862 C TYR A 66 12.909 0.472 -4.659 1.00 47.23 C ATOM 863 O TYR A 66 13.650 0.434 -5.645 1.00 47.33 O ATOM 864 CB TYR A 66 10.926 -1.071 -4.902 1.00 47.75 C ATOM 865 CG TYR A 66 11.034 -1.786 -3.582 1.00 47.27 C ATOM 866 CD1 TYR A 66 12.039 -2.723 -3.361 1.00 46.86 C ATOM 867 CD2 TYR A 66 10.156 -1.493 -2.539 1.00 47.05 C ATOM 868 CE1 TYR A 66 12.157 -3.365 -2.154 1.00 46.40 C ATOM 869 CE2 TYR A 66 10.267 -2.130 -1.314 1.00 47.42 C ATOM 870 CZ TYR A 66 11.272 -3.067 -1.134 1.00 46.78 C ATOM 871 OH TYR A 66 11.393 -3.702 0.067 1.00 46.70 O ATOM 872 N PRO A 67 13.386 0.592 -3.400 1.00 46.90 N ATOM 873 CA PRO A 67 14.833 0.632 -3.145 1.00 46.56 C ATOM 874 C PRO A 67 15.597 -0.610 -3.622 1.00 46.25 C ATOM 875 O PRO A 67 15.204 -1.746 -3.328 1.00 46.05 O ATOM 876 CB PRO A 67 14.915 0.748 -1.620 1.00 46.35 C ATOM 877 CG PRO A 67 13.645 1.415 -1.239 1.00 46.90 C ATOM 878 CD PRO A 67 12.612 0.905 -2.180 1.00 46.41 C ATOM 879 N GLY A 68 16.684 -0.369 -4.348 1.00 46.00 N ATOM 880 CA GLY A 68 17.590 -1.423 -4.778 1.00 46.28 C ATOM 881 C GLY A 68 17.295 -1.975 -6.163 1.00 46.62 C ATOM 882 O GLY A 68 18.171 -2.592 -6.786 1.00 46.64 O ATOM 883 N VAL A 69 16.062 -1.774 -6.637 1.00 46.86 N ATOM 884 CA VAL A 69 15.654 -2.222 -7.977 1.00 46.86 C ATOM 885 C VAL A 69 15.702 -1.059 -8.975 1.00 47.47 C ATOM 886 O VAL A 69 15.010 -0.045 -8.812 1.00 47.15 O ATOM 887 CB VAL A 69 14.233 -2.896 -7.984 1.00 46.86 C ATOM 888 CG1 VAL A 69 13.898 -3.433 -9.375 1.00 46.17 C ATOM 889 CG2 VAL A 69 14.137 -4.007 -6.944 1.00 45.41 C ATOM 890 N SER A 70 16.528 -1.203 -10.005 1.00 48.26 N ATOM 891 CA SER A 70 16.609 -0.178 -11.035 1.00 49.25 C ATOM 892 C SER A 70 16.581 -0.746 -12.445 1.00 50.18 C ATOM 893 O SER A 70 17.063 -1.854 -12.697 1.00 50.33 O ATOM 894 CB SER A 70 17.834 0.734 -10.830 1.00 48.80 C ATOM 895 OG SER A 70 19.049 0.012 -10.825 1.00 48.28 O ATOM 896 N TRP A 71 15.995 0.038 -13.349 1.00 51.32 N ATOM 897 CA TRP A 71 15.970 -0.243 -14.780 1.00 52.20 C ATOM 898 C TRP A 71 17.328 0.029 -15.441 1.00 52.65 C ATOM 899 O TRP A 71 17.841 1.145 -15.377 1.00 52.75 O ATOM 900 CB TRP A 71 14.909 0.643 -15.428 1.00 52.44 C ATOM 901 CG TRP A 71 14.612 0.335 -16.854 1.00 53.28 C ATOM 902 CD1 TRP A 71 14.851 1.138 -17.934 1.00 54.28 C ATOM 903 CD2 TRP A 71 13.997 -0.850 -17.362 1.00 53.90 C ATOM 904 NE1 TRP A 71 14.429 0.521 -19.087 1.00 54.44 N ATOM 905 CE2 TRP A 71 13.898 -0.701 -18.765 1.00 54.62 C ATOM 906 CE3 TRP A 71 13.518 -2.028 -16.770 1.00 54.12 C ATOM 907 CZ2 TRP A 71 13.331 -1.681 -19.584 1.00 54.17 C ATOM 908 CZ3 TRP A 71 12.957 -3.008 -17.588 1.00 54.52 C ATOM 909 CH2 TRP A 71 12.868 -2.825 -18.979 1.00 54.28 C ATOM 910 N ASN A 72 17.902 -1.005 -16.058 1.00 53.15 N ATOM 911 CA ASN A 72 19.095 -0.874 -16.889 1.00 53.61 C ATOM 912 C ASN A 72 18.641 -0.749 -18.347 1.00 54.42 C ATOM 913 O ASN A 72 18.100 -1.696 -18.918 1.00 54.25 O ATOM 914 CB ASN A 72 20.029 -2.076 -16.674 1.00 53.40 C ATOM 915 CG ASN A 72 21.338 -1.964 -17.453 1.00 53.15 C ATOM 916 OD1 ASN A 72 21.336 -1.823 -18.673 1.00 52.91 O ATOM 917 ND2 ASN A 72 22.464 -2.051 -16.744 1.00 52.42 N ATOM 918 N LYS A 73 18.839 0.439 -18.920 1.00 55.30 N ATOM 919 CA LYS A 73 18.321 0.796 -20.250 1.00 56.34 C ATOM 920 C LYS A 73 18.893 -0.053 -21.393 1.00 56.68 C ATOM 921 O LYS A 73 18.135 -0.585 -22.207 1.00 56.70 O ATOM 922 CB LYS A 73 18.563 2.279 -20.541 1.00 56.46 C ATOM 923 CG LYS A 73 17.510 3.224 -19.985 1.00 57.15 C ATOM 924 CD LYS A 73 17.920 4.675 -20.235 1.00 58.46 C ATOM 925 CE LYS A 73 16.989 5.648 -19.521 1.00 59.44 C ATOM 926 NZ LYS A 73 17.585 7.017 -19.438 1.00 59.57 N ATOM 927 N ARG A 74 20.221 -0.169 -21.446 1.00 57.00 N ATOM 928 CA ARG A 74 20.897 -0.996 -22.456 1.00 57.23 C ATOM 929 C ARG A 74 20.408 -2.451 -22.388 1.00 57.42 C ATOM 930 O ARG A 74 20.127 -3.066 -23.414 1.00 57.67 O ATOM 931 CB ARG A 74 22.421 -0.936 -22.282 1.00 57.11 C ATOM 932 CG ARG A 74 23.228 -1.590 -23.410 1.00 56.87 C ATOM 933 CD ARG A 74 24.613 -2.010 -22.910 1.00 57.35 C ATOM 934 NE ARG A 74 24.556 -3.246 -22.128 1.00 57.64 N ATOM 935 CZ ARG A 74 25.546 -3.723 -21.372 1.00 58.75 C ATOM 936 NH1 ARG A 74 26.699 -3.068 -21.268 1.00 59.16 N ATOM 937 NH2 ARG A 74 25.376 -4.863 -20.704 1.00 58.83 N ATOM 938 N MET A 75 20.295 -2.983 -21.173 1.00 57.51 N ATOM 939 CA MET A 75 19.827 -4.348 -20.964 1.00 57.59 C ATOM 940 C MET A 75 18.332 -4.521 -21.210 1.00 57.66 C ATOM 941 O MET A 75 17.886 -5.626 -21.516 1.00 57.73 O ATOM 942 CB MET A 75 20.162 -4.813 -19.551 1.00 57.56 C ATOM 943 CG MET A 75 21.628 -5.020 -19.316 1.00 57.67 C ATOM 944 SD MET A 75 21.925 -5.745 -17.703 1.00 58.31 S ATOM 945 CE MET A 75 21.428 -7.437 -18.041 1.00 58.36 C ATOM 946 N CYS A 76 17.574 -3.428 -21.087 1.00 57.72 N ATOM 947 CA CYS A 76 16.106 -3.465 -21.073 1.00 58.24 C ATOM 948 C CYS A 76 15.588 -4.450 -19.996 1.00 57.41 C ATOM 949 O CYS A 76 14.739 -5.320 -20.263 1.00 57.51 O ATOM 950 CB CYS A 76 15.541 -3.768 -22.474 1.00 58.55 C ATOM 951 SG CYS A 76 13.831 -3.153 -22.758 1.00 64.08 S ATOM 952 N ALA A 77 16.106 -4.298 -18.777 1.00 56.04 N ATOM 953 CA ALA A 77 15.837 -5.237 -17.684 1.00 55.28 C ATOM 954 C ALA A 77 15.972 -4.596 -16.308 1.00 54.51 C ATOM 955 O ALA A 77 16.780 -3.682 -16.105 1.00 54.11 O ATOM 956 CB ALA A 77 16.758 -6.453 -17.781 1.00 55.09 C ATOM 957 N TRP A 78 15.177 -5.092 -15.365 1.00 53.88 N ATOM 958 CA TRP A 78 15.281 -4.679 -13.975 1.00 53.16 C ATOM 959 C TRP A 78 16.448 -5.398 -13.325 1.00 53.44 C ATOM 960 O TRP A 78 16.606 -6.616 -13.475 1.00 53.02 O ATOM 961 CB TRP A 78 13.999 -5.009 -13.210 1.00 53.11 C ATOM 962 CG TRP A 78 12.769 -4.313 -13.727 1.00 51.54 C ATOM 963 CD1 TRP A 78 11.755 -4.876 -14.442 1.00 50.19 C ATOM 964 CD2 TRP A 78 12.425 -2.931 -13.564 1.00 49.82 C ATOM 965 NE1 TRP A 78 10.794 -3.939 -14.728 1.00 49.15 N ATOM 966 CE2 TRP A 78 11.179 -2.733 -14.206 1.00 49.52 C ATOM 967 CE3 TRP A 78 13.043 -1.840 -12.939 1.00 48.75 C ATOM 968 CZ2 TRP A 78 10.537 -1.486 -14.240 1.00 48.34 C ATOM 969 CZ3 TRP A 78 12.403 -0.595 -12.978 1.00 47.67 C ATOM 970 CH2 TRP A 78 11.164 -0.435 -13.621 1.00 47.73 C ATOM 971 N LEU A 79 17.271 -4.635 -12.612 1.00 53.62 N ATOM 972 CA LEU A 79 18.341 -5.214 -11.811 1.00 54.15 C ATOM 973 C LEU A 79 18.067 -5.000 -10.327 1.00 54.17 C ATOM 974 O LEU A 79 17.748 -3.888 -9.896 1.00 54.49 O ATOM 975 CB LEU A 79 19.701 -4.612 -12.192 1.00 54.26 C ATOM 976 CG LEU A 79 20.522 -5.130 -13.385 1.00 54.50 C ATOM 977 CD1 LEU A 79 21.183 -6.444 -13.030 1.00 55.07 C ATOM 978 CD2 LEU A 79 19.716 -5.241 -14.687 1.00 53.48 C ATOM 979 N ALA A 80 18.184 -6.071 -9.554 1.00 54.04 N ATOM 980 CA ALA A 80 18.055 -5.988 -8.111 1.00 54.16 C ATOM 981 C ALA A 80 19.449 -6.041 -7.512 1.00 54.18 C ATOM 982 O ALA A 80 20.128 -7.071 -7.597 1.00 54.21 O ATOM 983 CB ALA A 80 17.197 -7.123 -7.580 1.00 53.90 C ATOM 984 N PHE A 81 19.876 -4.924 -6.925 1.00 53.97 N ATOM 985 CA PHE A 81 21.198 -4.838 -6.308 1.00 53.83 C ATOM 986 C PHE A 81 21.135 -5.142 -4.817 1.00 53.82 C ATOM 987 O PHE A 81 20.331 -4.564 -4.086 1.00 53.88 O ATOM 988 CB PHE A 81 21.850 -3.482 -6.589 1.00 53.62 C ATOM 989 CG PHE A 81 22.429 -3.367 -7.980 1.00 53.87 C ATOM 990 CD1 PHE A 81 23.802 -3.513 -8.191 1.00 53.48 C ATOM 991 CD2 PHE A 81 21.603 -3.129 -9.082 1.00 52.87 C ATOM 992 CE1 PHE A 81 24.344 -3.417 -9.483 1.00 53.37 C ATOM 993 CE2 PHE A 81 22.138 -3.027 -10.372 1.00 52.70 C ATOM 994 CZ PHE A 81 23.506 -3.171 -10.574 1.00 52.79 C ATOM 995 N PHE A 82 21.984 -6.065 -4.378 1.00 53.74 N ATOM 996 CA PHE A 82 21.969 -6.512 -2.995 1.00 53.93 C ATOM 997 C PHE A 82 23.355 -6.771 -2.424 1.00 54.28 C ATOM 998 O PHE A 82 24.358 -6.672 -3.130 1.00 54.27 O ATOM 999 CB PHE A 82 21.060 -7.742 -2.823 1.00 53.71 C ATOM 1000 CG PHE A 82 21.468 -8.954 -3.642 1.00 53.25 C ATOM 1001 CD1 PHE A 82 22.131 -10.028 -3.041 1.00 52.90 C ATOM 1002 CD2 PHE A 82 21.155 -9.042 -4.996 1.00 52.46 C ATOM 1003 CE1 PHE A 82 22.488 -11.169 -3.778 1.00 52.08 C ATOM 1004 CE2 PHE A 82 21.519 -10.170 -5.743 1.00 52.21 C ATOM 1005 CZ PHE A 82 22.182 -11.237 -5.131 1.00 51.90 C ATOM 1006 N TYR A 83 23.392 -7.084 -1.132 1.00 54.95 N ATOM 1007 CA TYR A 83 24.636 -7.368 -0.440 1.00 55.58 C ATOM 1008 C TYR A 83 24.652 -8.784 0.097 1.00 56.05 C ATOM 1009 O TYR A 83 23.761 -9.192 0.846 1.00 55.87 O ATOM 1010 CB TYR A 83 24.888 -6.353 0.683 1.00 55.69 C ATOM 1011 CG TYR A 83 25.221 -4.986 0.149 1.00 56.20 C ATOM 1012 CD1 TYR A 83 26.540 -4.620 -0.117 1.00 55.87 C ATOM 1013 CD2 TYR A 83 24.206 -4.066 -0.125 1.00 56.15 C ATOM 1014 CE1 TYR A 83 26.839 -3.360 -0.629 1.00 56.76 C ATOM 1015 CE2 TYR A 83 24.491 -2.815 -0.631 1.00 56.78 C ATOM 1016 CZ TYR A 83 25.802 -2.463 -0.882 1.00 56.95 C ATOM 1017 OH TYR A 83 26.062 -1.212 -1.392 1.00 57.57 O ATOM 1018 N ASP A 84 25.668 -9.527 -0.331 1.00 56.78 N ATOM 1019 CA ASP A 84 25.964 -10.847 0.181 1.00 57.35 C ATOM 1020 C ASP A 84 27.144 -10.632 1.116 1.00 57.77 C ATOM 1021 O ASP A 84 28.305 -10.802 0.730 1.00 58.02 O ATOM 1022 CB ASP A 84 26.318 -11.785 -0.981 1.00 57.29 C ATOM 1023 CG ASP A 84 26.575 -13.222 -0.537 1.00 57.86 C ATOM 1024 OD1 ASP A 84 26.945 -14.048 -1.409 1.00 58.14 O ATOM 1025 OD2 ASP A 84 26.412 -13.536 0.667 1.00 57.89 O ATOM 1026 N GLY A 85 26.831 -10.228 2.345 1.00 58.30 N ATOM 1027 CA GLY A 85 27.838 -9.812 3.319 1.00 58.70 C ATOM 1028 C GLY A 85 28.622 -8.605 2.834 1.00 58.88 C ATOM 1029 O GLY A 85 28.071 -7.506 2.701 1.00 59.03 O ATOM 1030 N ALA A 86 29.908 -8.831 2.558 1.00 58.95 N ATOM 1031 CA ALA A 86 30.831 -7.796 2.078 1.00 58.79 C ATOM 1032 C ALA A 86 30.634 -7.466 0.602 1.00 58.56 C ATOM 1033 O ALA A 86 30.802 -6.315 0.189 1.00 58.77 O ATOM 1034 CB ALA A 86 32.281 -8.222 2.329 1.00 58.78 C ATOM 1035 N SER A 87 30.290 -8.475 -0.190 1.00 58.20 N ATOM 1036 CA SER A 87 30.181 -8.296 -1.633 1.00 58.05 C ATOM 1037 C SER A 87 28.842 -7.706 -2.067 1.00 57.50 C ATOM 1038 O SER A 87 27.785 -8.071 -1.545 1.00 57.24 O ATOM 1039 CB SER A 87 30.485 -9.595 -2.393 1.00 58.19 C ATOM 1040 OG SER A 87 30.125 -10.743 -1.643 1.00 59.45 O ATOM 1041 N ARG A 88 28.915 -6.784 -3.023 1.00 57.03 N ATOM 1042 CA ARG A 88 27.736 -6.251 -3.685 1.00 56.63 C ATOM 1043 C ARG A 88 27.395 -7.124 -4.891 1.00 56.59 C ATOM 1044 O ARG A 88 28.253 -7.420 -5.733 1.00 56.53 O ATOM 1045 CB ARG A 88 27.955 -4.799 -4.109 1.00 56.55 C ATOM 1046 CG ARG A 88 26.664 -4.080 -4.444 1.00 56.17 C ATOM 1047 CD ARG A 88 26.858 -2.594 -4.641 1.00 54.47 C ATOM 1048 NE ARG A 88 25.560 -1.939 -4.776 1.00 52.96 N ATOM 1049 CZ ARG A 88 25.352 -0.776 -5.388 1.00 52.52 C ATOM 1050 NH1 ARG A 88 26.365 -0.110 -5.943 1.00 51.66 N ATOM 1051 NH2 ARG A 88 24.120 -0.278 -5.445 1.00 50.97 N ATOM 1052 N ARG A 89 26.137 -7.541 -4.956 1.00 56.33 N ATOM 1053 CA ARG A 89 25.683 -8.468 -5.986 1.00 56.17 C ATOM 1054 C ARG A 89 24.518 -7.867 -6.755 1.00 55.62 C ATOM 1055 O ARG A 89 23.951 -6.858 -6.327 1.00 55.79 O ATOM 1056 CB ARG A 89 25.271 -9.799 -5.345 1.00 56.26 C ATOM 1057 CG ARG A 89 26.334 -10.437 -4.454 1.00 57.34 C ATOM 1058 CD ARG A 89 27.109 -11.525 -5.160 1.00 59.46 C ATOM 1059 NE ARG A 89 26.419 -12.810 -5.061 1.00 62.58 N ATOM 1060 CZ ARG A 89 25.604 -13.317 -5.989 1.00 63.81 C ATOM 1061 NH1 ARG A 89 25.359 -12.659 -7.119 1.00 64.45 N ATOM 1062 NH2 ARG A 89 25.027 -14.496 -5.786 1.00 64.25 N ATOM 1063 N SER A 90 24.184 -8.467 -7.899 1.00 54.94 N ATOM 1064 CA SER A 90 22.979 -8.100 -8.648 1.00 54.35 C ATOM 1065 C SER A 90 22.344 -9.293 -9.367 1.00 53.89 C ATOM 1066 O SER A 90 23.047 -10.197 -9.839 1.00 53.65 O ATOM 1067 CB SER A 90 23.245 -6.947 -9.629 1.00 54.34 C ATOM 1068 OG SER A 90 23.787 -7.397 -10.865 1.00 54.91 O ATOM 1069 N ARG A 91 21.011 -9.291 -9.419 1.00 53.42 N ATOM 1070 CA ARG A 91 20.243 -10.240 -10.237 1.00 53.02 C ATOM 1071 C ARG A 91 19.383 -9.510 -11.268 1.00 52.33 C ATOM 1072 O ARG A 91 18.739 -8.507 -10.962 1.00 51.98 O ATOM 1073 CB ARG A 91 19.379 -11.194 -9.388 1.00 53.12 C ATOM 1074 CG ARG A 91 18.588 -12.210 -10.245 1.00 54.02 C ATOM 1075 CD ARG A 91 18.070 -13.407 -9.476 1.00 55.47 C ATOM 1076 NE ARG A 91 19.117 -13.998 -8.647 1.00 57.74 N ATOM 1077 CZ ARG A 91 19.038 -15.185 -8.059 1.00 58.71 C ATOM 1078 NH1 ARG A 91 17.958 -15.946 -8.211 1.00 59.50 N ATOM 1079 NH2 ARG A 91 20.052 -15.614 -7.322 1.00 59.55 N ATOM 1080 N THR A 92 19.376 -10.053 -12.482 1.00 51.84 N ATOM 1081 CA THR A 92 18.725 -9.452 -13.640 1.00 51.29 C ATOM 1082 C THR A 92 17.321 -10.020 -13.898 1.00 51.09 C ATOM 1083 O THR A 92 17.106 -11.238 -13.835 1.00 51.07 O ATOM 1084 CB THR A 92 19.609 -9.646 -14.897 1.00 51.37 C ATOM 1085 OG1 THR A 92 20.882 -9.017 -14.689 1.00 50.87 O ATOM 1086 CG2 THR A 92 18.942 -9.066 -16.145 1.00 51.32 C ATOM 1087 N PHE A 93 16.385 -9.124 -14.214 1.00 50.80 N ATOM 1088 CA PHE A 93 14.997 -9.487 -14.486 1.00 50.56 C ATOM 1089 C PHE A 93 14.478 -8.849 -15.777 1.00 50.50 C ATOM 1090 O PHE A 93 13.993 -7.718 -15.761 1.00 50.13 O ATOM 1091 CB PHE A 93 14.096 -9.098 -13.300 1.00 50.40 C ATOM 1092 CG PHE A 93 14.350 -9.898 -12.049 1.00 49.98 C ATOM 1093 CD1 PHE A 93 13.648 -11.083 -11.807 1.00 48.99 C ATOM 1094 CD2 PHE A 93 15.281 -9.464 -11.102 1.00 49.57 C ATOM 1095 CE1 PHE A 93 13.871 -11.824 -10.647 1.00 48.39 C ATOM 1096 CE2 PHE A 93 15.512 -10.206 -9.932 1.00 49.04 C ATOM 1097 CZ PHE A 93 14.808 -11.389 -9.713 1.00 48.16 C ATOM 1098 N HIS A 94 14.584 -9.587 -16.888 1.00 50.90 N ATOM 1099 CA HIS A 94 14.028 -9.163 -18.187 1.00 51.19 C ATOM 1100 C HIS A 94 12.517 -9.336 -18.181 1.00 51.59 C ATOM 1101 O HIS A 94 12.012 -10.249 -17.515 1.00 51.44 O ATOM 1102 CB HIS A 94 14.603 -10.006 -19.342 1.00 51.10 C ATOM 1103 CG HIS A 94 16.026 -9.688 -19.677 1.00 50.33 C ATOM 1104 ND1 HIS A 94 16.377 -8.728 -20.604 1.00 49.09 N ATOM 1105 CD2 HIS A 94 17.188 -10.199 -19.206 1.00 48.92 C ATOM 1106 CE1 HIS A 94 17.693 -8.664 -20.687 1.00 49.13 C ATOM 1107 NE2 HIS A 94 18.209 -9.541 -19.845 1.00 48.28 N ATOM 1108 N PRO A 95 11.787 -8.475 -18.928 1.00 52.04 N ATOM 1109 CA PRO A 95 10.372 -8.785 -19.158 1.00 52.61 C ATOM 1110 C PRO A 95 10.261 -10.214 -19.707 1.00 52.92 C ATOM 1111 O PRO A 95 11.076 -10.610 -20.543 1.00 52.90 O ATOM 1112 CB PRO A 95 9.946 -7.745 -20.204 1.00 52.81 C ATOM 1113 CG PRO A 95 10.919 -6.611 -20.029 1.00 52.35 C ATOM 1114 CD PRO A 95 12.211 -7.258 -19.647 1.00 51.87 C ATOM 1115 N LYS A 96 9.281 -10.974 -19.213 1.00 53.52 N ATOM 1116 CA LYS A 96 9.207 -12.436 -19.410 1.00 53.91 C ATOM 1117 C LYS A 96 9.437 -12.964 -20.832 1.00 53.79 C ATOM 1118 O LYS A 96 10.254 -13.867 -21.030 1.00 54.40 O ATOM 1119 CB LYS A 96 7.899 -13.004 -18.841 1.00 54.24 C ATOM 1120 CG LYS A 96 7.966 -13.323 -17.348 1.00 55.61 C ATOM 1121 CD LYS A 96 6.597 -13.710 -16.783 1.00 56.89 C ATOM 1122 CE LYS A 96 6.670 -13.956 -15.268 1.00 57.58 C ATOM 1123 NZ LYS A 96 5.386 -14.490 -14.704 1.00 57.78 N ATOM 1124 N HIS A 97 8.725 -12.428 -21.816 1.00 53.05 N ATOM 1125 CA HIS A 97 8.886 -12.939 -23.175 1.00 52.59 C ATOM 1126 C HIS A 97 9.411 -11.860 -24.107 1.00 51.69 C ATOM 1127 O HIS A 97 8.941 -11.721 -25.239 1.00 51.63 O ATOM 1128 CB HIS A 97 7.586 -13.569 -23.687 1.00 52.84 C ATOM 1129 CG HIS A 97 7.315 -14.932 -23.120 1.00 54.53 C ATOM 1130 ND1 HIS A 97 6.559 -15.132 -21.984 1.00 55.63 N ATOM 1131 CD2 HIS A 97 7.706 -16.164 -23.531 1.00 55.49 C ATOM 1132 CE1 HIS A 97 6.496 -16.426 -21.719 1.00 55.86 C ATOM 1133 NE2 HIS A 97 7.184 -17.074 -22.642 1.00 55.68 N ATOM 1134 N PHE A 98 10.404 -11.113 -23.621 1.00 50.48 N ATOM 1135 CA PHE A 98 10.907 -9.936 -24.326 1.00 49.42 C ATOM 1136 C PHE A 98 11.419 -10.252 -25.725 1.00 48.94 C ATOM 1137 O PHE A 98 11.054 -9.578 -26.680 1.00 48.62 O ATOM 1138 CB PHE A 98 11.996 -9.211 -23.525 1.00 49.19 C ATOM 1139 CG PHE A 98 12.596 -8.041 -24.258 1.00 48.55 C ATOM 1140 CD1 PHE A 98 11.932 -6.815 -24.299 1.00 48.02 C ATOM 1141 CD2 PHE A 98 13.808 -8.175 -24.938 1.00 47.56 C ATOM 1142 CE1 PHE A 98 12.473 -5.732 -24.991 1.00 48.29 C ATOM 1143 CE2 PHE A 98 14.365 -7.099 -25.635 1.00 48.14 C ATOM 1144 CZ PHE A 98 13.697 -5.871 -25.664 1.00 48.62 C ATOM 1145 N ASN A 99 12.276 -11.263 -25.830 1.00 48.58 N ATOM 1146 CA ASN A 99 12.880 -11.623 -27.111 1.00 48.59 C ATOM 1147 C ASN A 99 11.861 -12.005 -28.178 1.00 48.12 C ATOM 1148 O ASN A 99 11.959 -11.553 -29.323 1.00 47.72 O ATOM 1149 CB ASN A 99 13.937 -12.716 -26.936 1.00 48.64 C ATOM 1150 CG ASN A 99 15.241 -12.180 -26.350 1.00 50.30 C ATOM 1151 OD1 ASN A 99 15.437 -10.964 -26.224 1.00 50.98 O ATOM 1152 ND2 ASN A 99 16.139 -13.090 -25.990 1.00 50.80 N ATOM 1153 N MET A 100 10.894 -12.834 -27.788 1.00 47.85 N ATOM 1154 CA MET A 100 9.828 -13.258 -28.686 1.00 48.14 C ATOM 1155 C MET A 100 8.929 -12.091 -29.099 1.00 47.17 C ATOM 1156 O MET A 100 8.576 -11.971 -30.264 1.00 47.39 O ATOM 1157 CB MET A 100 8.989 -14.377 -28.055 1.00 48.58 C ATOM 1158 CG MET A 100 9.777 -15.634 -27.699 1.00 51.59 C ATOM 1159 SD MET A 100 8.716 -17.056 -27.327 1.00 58.09 S ATOM 1160 CE MET A 100 8.278 -17.588 -28.993 1.00 57.15 C ATOM 1161 N ASP A 101 8.583 -11.225 -28.148 1.00 46.36 N ATOM 1162 CA ASP A 101 7.642 -10.131 -28.401 1.00 45.47 C ATOM 1163 C ASP A 101 8.271 -8.973 -29.149 1.00 44.47 C ATOM 1164 O ASP A 101 7.576 -8.225 -29.838 1.00 44.05 O ATOM 1165 CB ASP A 101 6.996 -9.651 -27.098 1.00 45.63 C ATOM 1166 CG ASP A 101 5.945 -10.630 -26.570 1.00 46.79 C ATOM 1167 OD1 ASP A 101 5.532 -11.559 -27.317 1.00 45.93 O ATOM 1168 OD2 ASP A 101 5.529 -10.459 -25.401 1.00 47.86 O ATOM 1169 N LYS A 102 9.587 -8.828 -29.001 1.00 43.51 N ATOM 1170 CA LYS A 102 10.345 -7.843 -29.758 1.00 42.57 C ATOM 1171 C LYS A 102 10.404 -8.295 -31.224 1.00 41.81 C ATOM 1172 O LYS A 102 10.284 -7.478 -32.143 1.00 41.38 O ATOM 1173 CB LYS A 102 11.750 -7.685 -29.165 1.00 42.45 C ATOM 1174 CG LYS A 102 12.669 -6.776 -29.941 1.00 42.86 C ATOM 1175 CD LYS A 102 14.041 -6.708 -29.283 1.00 45.20 C ATOM 1176 CE LYS A 102 14.976 -5.827 -30.096 1.00 46.89 C ATOM 1177 NZ LYS A 102 16.323 -5.692 -29.462 1.00 49.13 N ATOM 1178 N GLU A 103 10.577 -9.602 -31.422 1.00 41.07 N ATOM 1179 CA GLU A 103 10.621 -10.191 -32.757 1.00 41.02 C ATOM 1180 C GLU A 103 9.267 -10.072 -33.467 1.00 40.22 C ATOM 1181 O GLU A 103 9.212 -9.736 -34.652 1.00 40.31 O ATOM 1182 CB GLU A 103 11.101 -11.656 -32.690 1.00 41.21 C ATOM 1183 CG GLU A 103 11.105 -12.413 -34.036 1.00 41.81 C ATOM 1184 CD GLU A 103 11.936 -11.734 -35.134 1.00 43.75 C ATOM 1185 OE1 GLU A 103 12.737 -10.821 -34.835 1.00 45.17 O ATOM 1186 OE2 GLU A 103 11.784 -12.115 -36.313 1.00 44.31 O ATOM 1187 N LYS A 104 8.186 -10.337 -32.734 1.00 39.58 N ATOM 1188 CA LYS A 104 6.826 -10.123 -33.246 1.00 39.18 C ATOM 1189 C LYS A 104 6.598 -8.677 -33.686 1.00 38.49 C ATOM 1190 O LYS A 104 5.972 -8.439 -34.725 1.00 38.42 O ATOM 1191 CB LYS A 104 5.781 -10.517 -32.203 1.00 39.26 C ATOM 1192 CG LYS A 104 5.479 -11.996 -32.204 1.00 40.88 C ATOM 1193 CD LYS A 104 4.807 -12.452 -30.926 1.00 42.37 C ATOM 1194 CE LYS A 104 4.352 -13.901 -31.089 1.00 45.30 C ATOM 1195 NZ LYS A 104 4.220 -14.591 -29.773 1.00 46.65 N ATOM 1196 N ALA A 105 7.107 -7.728 -32.893 1.00 37.32 N ATOM 1197 CA ALA A 105 6.989 -6.308 -33.195 1.00 36.78 C ATOM 1198 C ALA A 105 7.821 -5.937 -34.419 1.00 36.51 C ATOM 1199 O ALA A 105 7.384 -5.130 -35.243 1.00 36.60 O ATOM 1200 CB ALA A 105 7.390 -5.465 -31.986 1.00 36.89 C ATOM 1201 N ARG A 106 9.007 -6.541 -34.540 1.00 36.19 N ATOM 1202 CA ARG A 106 9.847 -6.394 -35.731 1.00 36.06 C ATOM 1203 C ARG A 106 9.125 -6.854 -37.013 1.00 36.03 C ATOM 1204 O ARG A 106 9.169 -6.172 -38.033 1.00 35.94 O ATOM 1205 CB ARG A 106 11.165 -7.178 -35.575 1.00 35.90 C ATOM 1206 CG ARG A 106 12.246 -6.765 -36.594 1.00 36.47 C ATOM 1207 CD ARG A 106 13.482 -7.697 -36.575 1.00 38.62 C ATOM 1208 NE ARG A 106 13.131 -9.058 -36.988 1.00 39.04 N ATOM 1209 CZ ARG A 106 13.021 -9.462 -38.250 1.00 38.66 C ATOM 1210 NH1 ARG A 106 13.266 -8.633 -39.253 1.00 39.57 N ATOM 1211 NH2 ARG A 106 12.680 -10.713 -38.511 1.00 40.05 N ATOM 1212 N LEU A 107 8.473 -8.016 -36.954 1.00 36.11 N ATOM 1213 CA LEU A 107 7.771 -8.564 -38.111 1.00 36.00 C ATOM 1214 C LEU A 107 6.590 -7.693 -38.501 1.00 35.60 C ATOM 1215 O LEU A 107 6.275 -7.584 -39.680 1.00 36.02 O ATOM 1216 CB LEU A 107 7.305 -9.994 -37.834 1.00 36.64 C ATOM 1217 CG LEU A 107 8.426 -11.026 -37.666 1.00 37.63 C ATOM 1218 CD1 LEU A 107 7.930 -12.231 -36.875 1.00 37.45 C ATOM 1219 CD2 LEU A 107 8.998 -11.454 -39.020 1.00 38.24 C ATOM 1220 N ALA A 108 5.953 -7.074 -37.508 1.00 35.19 N ATOM 1221 CA ALA A 108 4.826 -6.162 -37.725 1.00 34.91 C ATOM 1222 C ALA A 108 5.275 -4.858 -38.358 1.00 34.89 C ATOM 1223 O ALA A 108 4.566 -4.297 -39.215 1.00 34.98 O ATOM 1224 CB ALA A 108 4.109 -5.871 -36.398 1.00 34.81 C ATOM 1225 N ALA A 109 6.433 -4.358 -37.913 1.00 34.44 N ATOM 1226 CA ALA A 109 7.036 -3.163 -38.510 1.00 34.09 C ATOM 1227 C ALA A 109 7.388 -3.414 -39.970 1.00 33.89 C ATOM 1228 O ALA A 109 7.161 -2.561 -40.820 1.00 33.97 O ATOM 1229 CB ALA A 109 8.293 -2.705 -37.711 1.00 33.44 C ATOM 1230 N VAL A 110 7.943 -4.588 -40.252 1.00 34.52 N ATOM 1231 CA VAL A 110 8.285 -4.989 -41.619 1.00 35.09 C ATOM 1232 C VAL A 110 7.042 -5.093 -42.496 1.00 35.59 C ATOM 1233 O VAL A 110 7.028 -4.567 -43.617 1.00 34.84 O ATOM 1234 CB VAL A 110 9.096 -6.305 -41.631 1.00 35.37 C ATOM 1235 CG1 VAL A 110 9.188 -6.906 -43.052 1.00 35.65 C ATOM 1236 CG2 VAL A 110 10.491 -6.053 -41.080 1.00 35.78 C ATOM 1237 N GLU A 111 6.002 -5.747 -41.967 1.00 36.58 N ATOM 1238 CA GLU A 111 4.711 -5.874 -42.660 1.00 37.99 C ATOM 1239 C GLU A 111 4.146 -4.504 -43.020 1.00 37.31 C ATOM 1240 O GLU A 111 3.687 -4.318 -44.133 1.00 36.85 O ATOM 1241 CB GLU A 111 3.667 -6.669 -41.837 1.00 38.17 C ATOM 1242 CG GLU A 111 2.334 -6.879 -42.608 1.00 43.31 C ATOM 1243 CD GLU A 111 1.091 -7.132 -41.726 1.00 49.27 C ATOM 1244 OE1 GLU A 111 1.075 -6.719 -40.533 1.00 52.54 O ATOM 1245 OE2 GLU A 111 0.114 -7.737 -42.246 1.00 50.69 O ATOM 1246 N PHE A 112 4.179 -3.563 -42.069 1.00 37.62 N ATOM 1247 CA PHE A 112 3.709 -2.186 -42.288 1.00 37.64 C ATOM 1248 C PHE A 112 4.520 -1.523 -43.395 1.00 38.58 C ATOM 1249 O PHE A 112 3.970 -0.859 -44.285 1.00 37.84 O ATOM 1250 CB PHE A 112 3.834 -1.366 -40.999 1.00 37.80 C ATOM 1251 CG PHE A 112 3.556 0.111 -41.180 1.00 37.80 C ATOM 1252 CD1 PHE A 112 2.248 0.595 -41.190 1.00 36.63 C ATOM 1253 CD2 PHE A 112 4.607 1.016 -41.342 1.00 38.47 C ATOM 1254 CE1 PHE A 112 1.977 1.958 -41.365 1.00 37.23 C ATOM 1255 CE2 PHE A 112 4.352 2.384 -41.511 1.00 38.59 C ATOM 1256 CZ PHE A 112 3.030 2.855 -41.524 1.00 38.11 C ATOM 1257 N MET A 113 5.839 -1.711 -43.324 1.00 39.69 N ATOM 1258 CA MET A 113 6.769 -1.179 -44.319 1.00 40.98 C ATOM 1259 C MET A 113 6.371 -1.614 -45.736 1.00 41.28 C ATOM 1260 O MET A 113 6.285 -0.788 -46.637 1.00 41.29 O ATOM 1261 CB MET A 113 8.207 -1.603 -43.963 1.00 41.46 C ATOM 1262 CG MET A 113 9.285 -0.665 -44.440 1.00 42.43 C ATOM 1263 SD MET A 113 9.109 0.995 -43.754 1.00 44.12 S ATOM 1264 CE MET A 113 9.502 1.912 -45.245 1.00 42.51 C ATOM 1265 N LYS A 114 6.079 -2.900 -45.919 1.00 42.13 N ATOM 1266 CA LYS A 114 5.737 -3.436 -47.247 1.00 43.09 C ATOM 1267 C LYS A 114 4.362 -2.967 -47.717 1.00 44.19 C ATOM 1268 O LYS A 114 4.133 -2.756 -48.905 1.00 43.46 O ATOM 1269 CB LYS A 114 5.745 -4.957 -47.223 1.00 42.79 C ATOM 1270 CG LYS A 114 7.109 -5.565 -47.062 1.00 42.87 C ATOM 1271 CD LYS A 114 6.992 -7.013 -46.669 1.00 42.12 C ATOM 1272 CE LYS A 114 8.355 -7.685 -46.699 1.00 42.95 C ATOM 1273 NZ LYS A 114 8.276 -9.070 -46.164 1.00 41.84 N ATOM 1274 N THR A 115 3.451 -2.815 -46.762 1.00 45.57 N ATOM 1275 CA THR A 115 2.080 -2.438 -47.054 1.00 47.21 C ATOM 1276 C THR A 115 1.990 -0.941 -47.353 1.00 48.41 C ATOM 1277 O THR A 115 1.417 -0.549 -48.366 1.00 48.58 O ATOM 1278 CB THR A 115 1.141 -2.859 -45.901 1.00 47.21 C ATOM 1279 OG1 THR A 115 1.235 -4.285 -45.716 1.00 46.94 O ATOM 1280 CG2 THR A 115 -0.290 -2.483 -46.207 1.00 46.64 C ATOM 1281 N VAL A 116 2.594 -0.124 -46.493 1.00 49.88 N ATOM 1282 CA VAL A 116 2.534 1.325 -46.627 1.00 51.45 C ATOM 1283 C VAL A 116 3.341 1.842 -47.822 1.00 52.50 C ATOM 1284 O VAL A 116 2.971 2.854 -48.415 1.00 52.74 O ATOM 1285 CB VAL A 116 2.941 2.053 -45.311 1.00 51.35 C ATOM 1286 CG1 VAL A 116 4.462 2.286 -45.236 1.00 51.68 C ATOM 1287 CG2 VAL A 116 2.177 3.363 -45.166 1.00 51.69 C ATOM 1288 N GLU A 117 4.432 1.157 -48.164 1.00 53.91 N ATOM 1289 CA GLU A 117 5.196 1.471 -49.379 1.00 55.46 C ATOM 1290 C GLU A 117 4.314 1.368 -50.631 1.00 55.85 C ATOM 1291 O GLU A 117 4.458 0.441 -51.438 1.00 56.57 O ATOM 1292 CB GLU A 117 6.395 0.533 -49.535 1.00 55.87 C ATOM 1293 CG GLU A 117 7.674 0.961 -48.821 1.00 57.90 C ATOM 1294 CD GLU A 117 8.678 -0.194 -48.701 1.00 61.13 C ATOM 1295 OE1 GLU A 117 8.355 -1.325 -49.146 1.00 62.70 O ATOM 1296 OE2 GLU A 117 9.789 0.025 -48.161 1.00 61.19 O TER 1297 GLU A 117 ATOM 1298 O5' DT C 1 23.141 -11.654 -25.380 1.00 49.29 O ATOM 1299 C5' DT C 1 22.742 -11.170 -24.107 1.00 48.33 C ATOM 1300 C4' DT C 1 22.582 -12.286 -23.084 1.00 48.48 C ATOM 1301 O4' DT C 1 23.645 -13.284 -23.168 1.00 47.23 O ATOM 1302 C3' DT C 1 22.566 -11.799 -21.638 1.00 47.84 C ATOM 1303 O3' DT C 1 21.573 -12.550 -20.947 1.00 49.20 O ATOM 1304 C2' DT C 1 23.978 -12.099 -21.141 1.00 47.10 C ATOM 1305 C1' DT C 1 24.328 -13.367 -21.925 1.00 47.40 C ATOM 1306 N1 DT C 1 25.807 -13.557 -22.149 1.00 47.57 N ATOM 1307 C2 DT C 1 26.563 -14.242 -21.204 1.00 48.07 C ATOM 1308 O2 DT C 1 26.110 -14.716 -20.173 1.00 48.47 O ATOM 1309 N3 DT C 1 27.903 -14.361 -21.512 1.00 48.12 N ATOM 1310 C4 DT C 1 28.558 -13.874 -22.639 1.00 47.48 C ATOM 1311 O4 DT C 1 29.768 -14.036 -22.809 1.00 47.02 O ATOM 1312 C5 DT C 1 27.715 -13.166 -23.584 1.00 47.29 C ATOM 1313 C7 DT C 1 28.294 -12.585 -24.846 1.00 46.99 C ATOM 1314 C6 DT C 1 26.405 -13.047 -23.295 1.00 47.50 C ATOM 1315 P DG C 2 20.825 -12.006 -19.635 1.00 50.68 P ATOM 1316 OP1 DG C 2 19.608 -12.834 -19.436 1.00 51.00 O ATOM 1317 OP2 DG C 2 20.725 -10.527 -19.676 1.00 49.73 O ATOM 1318 O5' DG C 2 21.889 -12.350 -18.499 1.00 50.57 O ATOM 1319 C5' DG C 2 22.204 -13.679 -18.083 1.00 49.75 C ATOM 1320 C4' DG C 2 23.084 -13.567 -16.851 1.00 49.26 C ATOM 1321 O4' DG C 2 24.300 -12.827 -17.163 1.00 48.89 O ATOM 1322 C3' DG C 2 22.426 -12.829 -15.683 1.00 48.83 C ATOM 1323 O3' DG C 2 22.758 -13.521 -14.474 1.00 48.70 O ATOM 1324 C2' DG C 2 22.991 -11.404 -15.774 1.00 48.60 C ATOM 1325 C1' DG C 2 24.330 -11.565 -16.509 1.00 47.48 C ATOM 1326 N9 DG C 2 24.599 -10.513 -17.505 1.00 45.77 N ATOM 1327 C8 DG C 2 23.697 -9.927 -18.365 1.00 45.39 C ATOM 1328 N7 DG C 2 24.206 -9.022 -19.156 1.00 44.60 N ATOM 1329 C5 DG C 2 25.545 -8.990 -18.804 1.00 44.58 C ATOM 1330 C6 DG C 2 26.605 -8.198 -19.320 1.00 44.72 C ATOM 1331 O6 DG C 2 26.555 -7.344 -20.217 1.00 45.60 O ATOM 1332 N1 DG C 2 27.823 -8.470 -18.690 1.00 44.10 N ATOM 1333 C2 DG C 2 27.993 -9.408 -17.688 1.00 44.38 C ATOM 1334 N2 DG C 2 29.234 -9.549 -17.185 1.00 43.32 N ATOM 1335 N3 DG C 2 27.002 -10.158 -17.201 1.00 44.50 N ATOM 1336 C4 DG C 2 25.805 -9.901 -17.794 1.00 45.00 C ATOM 1337 P DC C 3 22.521 -12.913 -13.006 1.00 48.39 P ATOM 1338 OP1 DC C 3 22.497 -14.041 -12.055 1.00 46.15 O ATOM 1339 OP2 DC C 3 21.390 -11.949 -13.082 1.00 48.82 O ATOM 1340 O5' DC C 3 23.871 -12.080 -12.762 1.00 48.81 O ATOM 1341 C5' DC C 3 25.129 -12.757 -12.700 1.00 48.70 C ATOM 1342 C4' DC C 3 26.266 -11.759 -12.633 1.00 49.04 C ATOM 1343 O4' DC C 3 26.155 -10.851 -13.748 1.00 48.23 O ATOM 1344 C3' DC C 3 26.299 -10.878 -11.381 1.00 49.42 C ATOM 1345 O3' DC C 3 27.427 -11.268 -10.591 1.00 50.85 O ATOM 1346 C2' DC C 3 26.406 -9.442 -11.905 1.00 48.49 C ATOM 1347 C1' DC C 3 26.783 -9.651 -13.367 1.00 47.90 C ATOM 1348 N1 DC C 3 26.365 -8.578 -14.340 1.00 47.35 N ATOM 1349 C2 DC C 3 27.362 -7.768 -14.908 1.00 46.52 C ATOM 1350 O2 DC C 3 28.544 -7.944 -14.587 1.00 47.68 O ATOM 1351 N3 DC C 3 27.007 -6.805 -15.792 1.00 45.34 N ATOM 1352 C4 DC C 3 25.726 -6.631 -16.123 1.00 45.51 C ATOM 1353 N4 DC C 3 25.447 -5.660 -17.000 1.00 44.75 N ATOM 1354 C5 DC C 3 24.686 -7.439 -15.561 1.00 46.12 C ATOM 1355 C6 DC C 3 25.048 -8.395 -14.686 1.00 46.76 C ATOM 1356 P DA C 4 27.584 -10.915 -9.032 1.00 51.91 P ATOM 1357 OP1 DA C 4 28.337 -11.997 -8.354 1.00 51.11 O ATOM 1358 OP2 DA C 4 26.264 -10.491 -8.507 1.00 51.92 O ATOM 1359 O5' DA C 4 28.513 -9.621 -9.133 1.00 53.31 O ATOM 1360 C5' DA C 4 29.865 -9.702 -9.593 1.00 53.83 C ATOM 1361 C4' DA C 4 30.429 -8.302 -9.750 1.00 53.75 C ATOM 1362 O4' DA C 4 29.692 -7.585 -10.771 1.00 53.02 O ATOM 1363 C3' DA C 4 30.324 -7.403 -8.524 1.00 54.42 C ATOM 1364 O3' DA C 4 31.383 -6.477 -8.595 1.00 56.46 O ATOM 1365 C2' DA C 4 29.014 -6.664 -8.748 1.00 53.22 C ATOM 1366 C1' DA C 4 29.224 -6.365 -10.221 1.00 52.12 C ATOM 1367 N9 DA C 4 28.038 -5.976 -10.965 1.00 50.61 N ATOM 1368 C8 DA C 4 26.743 -6.345 -10.730 1.00 49.88 C ATOM 1369 N7 DA C 4 25.896 -5.837 -11.599 1.00 49.93 N ATOM 1370 C5 DA C 4 26.695 -5.090 -12.454 1.00 49.62 C ATOM 1371 C6 DA C 4 26.411 -4.300 -13.587 1.00 49.14 C ATOM 1372 N6 DA C 4 25.175 -4.129 -14.073 1.00 49.08 N ATOM 1373 N1 DA C 4 27.447 -3.689 -14.205 1.00 49.11 N ATOM 1374 C2 DA C 4 28.689 -3.851 -13.729 1.00 49.26 C ATOM 1375 N3 DA C 4 29.078 -4.570 -12.675 1.00 49.53 N ATOM 1376 C4 DA C 4 28.024 -5.167 -12.077 1.00 49.79 C ATOM 1377 P DT C 5 32.184 -6.060 -7.286 1.00 56.80 P ATOM 1378 OP1 DT C 5 32.927 -7.260 -6.821 1.00 57.21 O ATOM 1379 OP2 DT C 5 31.236 -5.351 -6.385 1.00 57.79 O ATOM 1380 O5' DT C 5 33.218 -4.990 -7.875 1.00 56.86 O ATOM 1381 C5' DT C 5 34.044 -5.309 -9.009 1.00 56.42 C ATOM 1382 C4' DT C 5 34.117 -4.127 -9.962 1.00 55.66 C ATOM 1383 O4' DT C 5 32.793 -3.853 -10.488 1.00 54.93 O ATOM 1384 C3' DT C 5 34.611 -2.821 -9.340 1.00 55.79 C ATOM 1385 O3' DT C 5 35.614 -2.237 -10.199 1.00 56.34 O ATOM 1386 C2' DT C 5 33.335 -1.983 -9.190 1.00 54.99 C ATOM 1387 C1' DT C 5 32.505 -2.474 -10.371 1.00 54.54 C ATOM 1388 N1 DT C 5 31.002 -2.343 -10.294 1.00 53.56 N ATOM 1389 C2 DT C 5 30.344 -1.691 -11.324 1.00 53.23 C ATOM 1390 O2 DT C 5 30.909 -1.192 -12.276 1.00 53.67 O ATOM 1391 N3 DT C 5 28.977 -1.628 -11.198 1.00 52.97 N ATOM 1392 C4 DT C 5 28.211 -2.151 -10.170 1.00 53.05 C ATOM 1393 O4 DT C 5 26.990 -2.040 -10.159 1.00 53.57 O ATOM 1394 C5 DT C 5 28.949 -2.822 -9.120 1.00 53.20 C ATOM 1395 C7 DT C 5 28.217 -3.421 -7.952 1.00 52.42 C ATOM 1396 C6 DT C 5 30.291 -2.890 -9.232 1.00 53.39 C ATOM 1397 P DG C 6 36.316 -0.820 -9.912 1.00 56.40 P ATOM 1398 OP1 DG C 6 37.620 -0.823 -10.615 1.00 56.69 O ATOM 1399 OP2 DG C 6 36.258 -0.521 -8.461 1.00 56.48 O ATOM 1400 O5' DG C 6 35.301 0.197 -10.624 1.00 57.04 O ATOM 1401 C5' DG C 6 35.476 0.646 -11.968 1.00 56.40 C ATOM 1402 C4' DG C 6 34.671 1.914 -12.219 1.00 56.02 C ATOM 1403 O4' DG C 6 33.258 1.662 -12.009 1.00 54.44 O ATOM 1404 C3' DG C 6 35.030 3.103 -11.331 1.00 56.43 C ATOM 1405 O3' DG C 6 35.145 4.257 -12.128 1.00 58.22 O ATOM 1406 C2' DG C 6 33.851 3.247 -10.376 1.00 55.38 C ATOM 1407 C1' DG C 6 32.705 2.681 -11.202 1.00 53.61 C ATOM 1408 N9 DG C 6 31.683 2.032 -10.402 1.00 51.49 N ATOM 1409 C8 DG C 6 31.890 1.147 -9.371 1.00 50.99 C ATOM 1410 N7 DG C 6 30.793 0.702 -8.835 1.00 50.27 N ATOM 1411 C5 DG C 6 29.791 1.321 -9.569 1.00 49.70 C ATOM 1412 C6 DG C 6 28.385 1.221 -9.438 1.00 48.90 C ATOM 1413 O6 DG C 6 27.773 0.526 -8.616 1.00 48.80 O ATOM 1414 N1 DG C 6 27.709 2.016 -10.373 1.00 47.78 N ATOM 1415 C2 DG C 6 28.340 2.813 -11.311 1.00 48.51 C ATOM 1416 N2 DG C 6 27.564 3.522 -12.142 1.00 48.22 N ATOM 1417 N3 DG C 6 29.661 2.911 -11.442 1.00 49.10 N ATOM 1418 C4 DG C 6 30.321 2.144 -10.540 1.00 49.98 C ATOM 1419 P DC C 7 35.995 5.511 -11.618 1.00 59.64 P ATOM 1420 OP1 DC C 7 37.205 5.566 -12.469 1.00 60.11 O ATOM 1421 OP2 DC C 7 36.143 5.455 -10.142 1.00 59.72 O ATOM 1422 O5' DC C 7 35.054 6.764 -11.963 1.00 60.02 O ATOM 1423 C5' DC C 7 33.803 6.633 -12.643 1.00 59.95 C ATOM 1424 C4' DC C 7 32.683 7.334 -11.890 1.00 60.24 C ATOM 1425 O4' DC C 7 31.842 6.329 -11.280 1.00 59.47 O ATOM 1426 C3' DC C 7 33.091 8.275 -10.751 1.00 60.73 C ATOM 1427 O3' DC C 7 33.080 9.636 -11.247 1.00 63.14 O ATOM 1428 C2' DC C 7 32.092 7.979 -9.625 1.00 59.64 C ATOM 1429 C1' DC C 7 31.138 6.950 -10.228 1.00 58.33 C ATOM 1430 N1 DC C 7 30.676 5.875 -9.289 1.00 56.41 N ATOM 1431 C2 DC C 7 29.310 5.529 -9.231 1.00 54.98 C ATOM 1432 O2 DC C 7 28.492 6.118 -9.953 1.00 54.24 O ATOM 1433 N3 DC C 7 28.919 4.546 -8.372 1.00 53.62 N ATOM 1434 C4 DC C 7 29.821 3.920 -7.606 1.00 53.40 C ATOM 1435 N4 DC C 7 29.389 2.961 -6.777 1.00 52.00 N ATOM 1436 C5 DC C 7 31.213 4.256 -7.652 1.00 54.39 C ATOM 1437 C6 DC C 7 31.588 5.226 -8.497 1.00 55.48 C ATOM 1438 P DA C 8 32.736 10.968 -10.406 1.00 65.23 P ATOM 1439 OP1 DA C 8 32.987 12.134 -11.283 1.00 65.20 O ATOM 1440 OP2 DA C 8 33.416 10.913 -9.087 1.00 64.98 O ATOM 1441 O5' DA C 8 31.151 10.814 -10.207 1.00 66.42 O ATOM 1442 C5' DA C 8 30.261 11.931 -10.247 1.00 67.46 C ATOM 1443 C4' DA C 8 29.295 11.873 -9.077 1.00 67.88 C ATOM 1444 O4' DA C 8 28.799 10.524 -8.881 1.00 68.07 O ATOM 1445 C3' DA C 8 29.896 12.206 -7.716 1.00 68.22 C ATOM 1446 O3' DA C 8 30.084 13.612 -7.554 1.00 67.99 O ATOM 1447 C2' DA C 8 28.815 11.660 -6.787 1.00 68.18 C ATOM 1448 C1' DA C 8 28.220 10.492 -7.584 1.00 67.93 C ATOM 1449 N9 DA C 8 28.392 9.194 -6.915 1.00 67.26 N ATOM 1450 C8 DA C 8 27.375 8.343 -6.561 1.00 66.81 C ATOM 1451 N7 DA C 8 27.769 7.249 -5.956 1.00 66.12 N ATOM 1452 C5 DA C 8 29.148 7.387 -5.900 1.00 66.58 C ATOM 1453 C6 DA C 8 30.163 6.553 -5.371 1.00 66.53 C ATOM 1454 N6 DA C 8 29.900 5.377 -4.781 1.00 66.03 N ATOM 1455 N1 DA C 8 31.451 6.975 -5.473 1.00 66.32 N ATOM 1456 C2 DA C 8 31.700 8.156 -6.061 1.00 65.97 C ATOM 1457 N3 DA C 8 30.830 9.022 -6.592 1.00 65.99 N ATOM 1458 C4 DA C 8 29.557 8.582 -6.481 1.00 66.57 C TER 1459 DA C 8 ATOM 1460 O5' DT D 1 20.853 6.339 -0.102 1.00 46.79 O ATOM 1461 C5' DT D 1 20.383 5.131 -0.702 1.00 47.58 C ATOM 1462 C4' DT D 1 20.600 5.177 -2.204 1.00 47.66 C ATOM 1463 O4' DT D 1 22.010 5.249 -2.481 1.00 47.90 O ATOM 1464 C3' DT D 1 20.118 3.966 -2.990 1.00 47.98 C ATOM 1465 O3' DT D 1 18.931 4.372 -3.634 1.00 48.41 O ATOM 1466 C2' DT D 1 21.234 3.658 -3.994 1.00 47.35 C ATOM 1467 C1' DT D 1 22.241 4.786 -3.790 1.00 46.49 C ATOM 1468 N1 DT D 1 23.700 4.422 -3.845 1.00 45.46 N ATOM 1469 C2 DT D 1 24.597 5.302 -4.443 1.00 45.45 C ATOM 1470 O2 DT D 1 24.288 6.362 -4.956 1.00 44.53 O ATOM 1471 N3 DT D 1 25.908 4.893 -4.438 1.00 45.85 N ATOM 1472 C4 DT D 1 26.409 3.726 -3.892 1.00 45.96 C ATOM 1473 O4 DT D 1 27.608 3.471 -3.939 1.00 47.53 O ATOM 1474 C5 DT D 1 25.429 2.856 -3.269 1.00 45.75 C ATOM 1475 C7 DT D 1 25.850 1.559 -2.644 1.00 45.79 C ATOM 1476 C6 DT D 1 24.141 3.237 -3.278 1.00 44.96 C ATOM 1477 P DG D 2 17.959 3.370 -4.412 1.00 48.82 P ATOM 1478 OP1 DG D 2 16.591 3.829 -4.098 1.00 49.61 O ATOM 1479 OP2 DG D 2 18.357 1.955 -4.176 1.00 49.36 O ATOM 1480 O5' DG D 2 18.283 3.726 -5.937 1.00 48.54 O ATOM 1481 C5' DG D 2 18.336 5.099 -6.346 1.00 47.24 C ATOM 1482 C4' DG D 2 19.079 5.268 -7.661 1.00 46.34 C ATOM 1483 O4' DG D 2 20.506 5.047 -7.507 1.00 45.48 O ATOM 1484 C3' DG D 2 18.637 4.368 -8.804 1.00 45.51 C ATOM 1485 O3' DG D 2 18.493 5.233 -9.930 1.00 46.67 O ATOM 1486 C2' DG D 2 19.786 3.363 -8.959 1.00 45.00 C ATOM 1487 C1' DG D 2 20.982 4.236 -8.570 1.00 44.58 C ATOM 1488 N9 DG D 2 22.161 3.578 -8.016 1.00 43.65 N ATOM 1489 C8 DG D 2 22.189 2.540 -7.113 1.00 43.77 C ATOM 1490 N7 DG D 2 23.397 2.183 -6.765 1.00 44.97 N ATOM 1491 C5 DG D 2 24.227 3.051 -7.473 1.00 44.28 C ATOM 1492 C6 DG D 2 25.644 3.146 -7.512 1.00 44.53 C ATOM 1493 O6 DG D 2 26.481 2.469 -6.903 1.00 44.99 O ATOM 1494 N1 DG D 2 26.082 4.159 -8.361 1.00 44.70 N ATOM 1495 C2 DG D 2 25.254 4.981 -9.090 1.00 43.54 C ATOM 1496 N2 DG D 2 25.850 5.906 -9.857 1.00 43.21 N ATOM 1497 N3 DG D 2 23.931 4.898 -9.063 1.00 43.37 N ATOM 1498 C4 DG D 2 23.481 3.918 -8.240 1.00 43.82 C ATOM 1499 P DC D 3 17.736 4.781 -11.267 1.00 45.66 P ATOM 1500 OP1 DC D 3 17.144 5.976 -11.907 1.00 46.38 O ATOM 1501 OP2 DC D 3 16.837 3.649 -10.930 1.00 46.79 O ATOM 1502 O5' DC D 3 18.970 4.264 -12.137 1.00 46.21 O ATOM 1503 C5' DC D 3 19.827 5.200 -12.807 1.00 46.55 C ATOM 1504 C4' DC D 3 21.039 4.478 -13.368 1.00 46.65 C ATOM 1505 O4' DC D 3 21.857 3.978 -12.275 1.00 46.94 O ATOM 1506 C3' DC D 3 20.722 3.262 -14.249 1.00 47.12 C ATOM 1507 O3' DC D 3 21.510 3.306 -15.425 1.00 48.42 O ATOM 1508 C2' DC D 3 21.157 2.089 -13.382 1.00 47.04 C ATOM 1509 C1' DC D 3 22.358 2.731 -12.692 1.00 46.51 C ATOM 1510 N1 DC D 3 23.001 1.945 -11.582 1.00 45.78 N ATOM 1511 C2 DC D 3 24.384 2.095 -11.348 1.00 45.36 C ATOM 1512 O2 DC D 3 25.051 2.886 -12.031 1.00 44.44 O ATOM 1513 N3 DC D 3 24.963 1.361 -10.362 1.00 44.82 N ATOM 1514 C4 DC D 3 24.236 0.518 -9.629 1.00 44.82 C ATOM 1515 N4 DC D 3 24.872 -0.166 -8.668 1.00 45.78 N ATOM 1516 C5 DC D 3 22.836 0.351 -9.843 1.00 45.06 C ATOM 1517 C6 DC D 3 22.267 1.067 -10.826 1.00 45.60 C ATOM 1518 P DA D 4 20.912 3.633 -16.872 1.00 49.23 P ATOM 1519 OP1 DA D 4 19.886 4.704 -16.731 1.00 48.57 O ATOM 1520 OP2 DA D 4 20.589 2.329 -17.503 1.00 49.73 O ATOM 1521 O5' DA D 4 22.190 4.205 -17.662 1.00 51.36 O ATOM 1522 C5' DA D 4 23.035 5.225 -17.068 1.00 52.35 C ATOM 1523 C4' DA D 4 24.523 4.939 -17.247 1.00 52.57 C ATOM 1524 O4' DA D 4 25.037 4.067 -16.205 1.00 52.31 O ATOM 1525 C3' DA D 4 24.944 4.291 -18.563 1.00 54.13 C ATOM 1526 O3' DA D 4 26.139 4.954 -18.984 1.00 56.50 O ATOM 1527 C2' DA D 4 25.167 2.820 -18.200 1.00 52.85 C ATOM 1528 C1' DA D 4 25.701 2.950 -16.778 1.00 51.94 C ATOM 1529 N9 DA D 4 25.425 1.851 -15.862 1.00 51.08 N ATOM 1530 C8 DA D 4 24.224 1.231 -15.639 1.00 50.34 C ATOM 1531 N7 DA D 4 24.284 0.293 -14.720 1.00 49.89 N ATOM 1532 C5 DA D 4 25.601 0.305 -14.301 1.00 49.34 C ATOM 1533 C6 DA D 4 26.312 -0.452 -13.343 1.00 49.06 C ATOM 1534 N6 DA D 4 25.761 -1.413 -12.593 1.00 48.12 N ATOM 1535 N1 DA D 4 27.630 -0.184 -13.182 1.00 49.77 N ATOM 1536 C2 DA D 4 28.202 0.779 -13.924 1.00 49.72 C ATOM 1537 N3 DA D 4 27.631 1.554 -14.849 1.00 50.07 N ATOM 1538 C4 DA D 4 26.321 1.266 -14.994 1.00 50.37 C ATOM 1539 P DT D 5 26.835 4.692 -20.403 1.00 58.17 P ATOM 1540 OP1 DT D 5 27.454 5.973 -20.828 1.00 58.67 O ATOM 1541 OP2 DT D 5 25.893 3.981 -21.303 1.00 58.51 O ATOM 1542 O5' DT D 5 27.981 3.656 -20.004 1.00 58.08 O ATOM 1543 C5' DT D 5 29.007 4.070 -19.117 1.00 58.43 C ATOM 1544 C4' DT D 5 29.837 2.871 -18.733 1.00 58.51 C ATOM 1545 O4' DT D 5 29.010 1.976 -17.969 1.00 56.81 O ATOM 1546 C3' DT D 5 30.363 2.068 -19.921 1.00 59.35 C ATOM 1547 O3' DT D 5 31.782 2.145 -19.913 1.00 61.72 O ATOM 1548 C2' DT D 5 29.836 0.645 -19.709 1.00 58.22 C ATOM 1549 C1' DT D 5 29.441 0.661 -18.236 1.00 56.90 C ATOM 1550 N1 DT D 5 28.325 -0.254 -17.864 1.00 55.26 N ATOM 1551 C2 DT D 5 28.500 -1.150 -16.824 1.00 54.54 C ATOM 1552 O2 DT D 5 29.530 -1.263 -16.180 1.00 53.85 O ATOM 1553 N3 DT D 5 27.404 -1.931 -16.560 1.00 54.12 N ATOM 1554 C4 DT D 5 26.186 -1.904 -17.212 1.00 54.33 C ATOM 1555 O4 DT D 5 25.278 -2.659 -16.881 1.00 55.79 O ATOM 1556 C5 DT D 5 26.067 -0.944 -18.287 1.00 54.35 C ATOM 1557 C7 DT D 5 24.798 -0.805 -19.080 1.00 54.21 C ATOM 1558 C6 DT D 5 27.131 -0.175 -18.557 1.00 54.81 C ATOM 1559 P DG D 6 32.689 1.429 -21.026 1.00 64.15 P ATOM 1560 OP1 DG D 6 33.894 2.277 -21.220 1.00 63.83 O ATOM 1561 OP2 DG D 6 31.848 1.035 -22.187 1.00 63.78 O ATOM 1562 O5' DG D 6 33.123 0.089 -20.275 1.00 64.07 O ATOM 1563 C5' DG D 6 33.963 0.105 -19.126 1.00 64.41 C ATOM 1564 C4' DG D 6 34.376 -1.322 -18.809 1.00 64.64 C ATOM 1565 O4' DG D 6 33.225 -2.117 -18.413 1.00 63.90 O ATOM 1566 C3' DG D 6 34.992 -2.085 -19.970 1.00 64.81 C ATOM 1567 O3' DG D 6 35.919 -2.976 -19.411 1.00 66.43 O ATOM 1568 C2' DG D 6 33.813 -2.837 -20.585 1.00 64.07 C ATOM 1569 C1' DG D 6 33.034 -3.189 -19.322 1.00 63.01 C ATOM 1570 N9 DG D 6 31.593 -3.350 -19.474 1.00 61.59 N ATOM 1571 C8 DG D 6 30.762 -2.845 -20.450 1.00 60.94 C ATOM 1572 N7 DG D 6 29.509 -3.174 -20.268 1.00 60.83 N ATOM 1573 C5 DG D 6 29.507 -3.933 -19.096 1.00 59.75 C ATOM 1574 C6 DG D 6 28.444 -4.572 -18.392 1.00 58.48 C ATOM 1575 O6 DG D 6 27.237 -4.598 -18.664 1.00 57.33 O ATOM 1576 N1 DG D 6 28.898 -5.238 -17.253 1.00 57.82 N ATOM 1577 C2 DG D 6 30.210 -5.286 -16.841 1.00 57.98 C ATOM 1578 N2 DG D 6 30.457 -5.971 -15.719 1.00 57.59 N ATOM 1579 N3 DG D 6 31.213 -4.697 -17.484 1.00 58.98 N ATOM 1580 C4 DG D 6 30.790 -4.044 -18.598 1.00 60.25 C ATOM 1581 P DC D 7 37.098 -3.590 -20.293 1.00 67.67 P ATOM 1582 OP1 DC D 7 38.359 -3.185 -19.632 1.00 67.52 O ATOM 1583 OP2 DC D 7 36.867 -3.268 -21.725 1.00 67.66 O ATOM 1584 O5' DC D 7 36.874 -5.169 -20.115 1.00 67.83 O ATOM 1585 C5' DC D 7 36.854 -5.784 -18.819 1.00 67.57 C ATOM 1586 C4' DC D 7 36.048 -7.074 -18.818 1.00 66.99 C ATOM 1587 O4' DC D 7 34.636 -6.753 -18.745 1.00 66.59 O ATOM 1588 C3' DC D 7 36.182 -7.962 -20.057 1.00 66.67 C ATOM 1589 O3' DC D 7 37.287 -8.864 -19.932 1.00 66.39 O ATOM 1590 C2' DC D 7 34.843 -8.703 -20.112 1.00 66.37 C ATOM 1591 C1' DC D 7 33.917 -7.882 -19.202 1.00 65.67 C ATOM 1592 N1 DC D 7 32.635 -7.431 -19.843 1.00 64.39 N ATOM 1593 C2 DC D 7 31.412 -7.815 -19.265 1.00 63.63 C ATOM 1594 O2 DC D 7 31.421 -8.515 -18.244 1.00 63.14 O ATOM 1595 N3 DC D 7 30.250 -7.405 -19.847 1.00 62.70 N ATOM 1596 C4 DC D 7 30.279 -6.650 -20.953 1.00 62.90 C ATOM 1597 N4 DC D 7 29.112 -6.271 -21.489 1.00 62.39 N ATOM 1598 C5 DC D 7 31.513 -6.247 -21.558 1.00 63.25 C ATOM 1599 C6 DC D 7 32.652 -6.654 -20.975 1.00 63.82 C TER 1600 DC D 7 HETATM 1601 O HOH B 1 1.845 -0.069 -34.194 1.00 44.87 O HETATM 1602 O HOH B 2 6.813 14.226 -42.030 1.00 44.59 O HETATM 1603 O HOH B 10 2.356 3.357 -33.233 1.00 39.96 O HETATM 1604 O HOH B 12 3.916 -3.830 -32.052 1.00 43.35 O HETATM 1605 O HOH B 15 14.672 3.681 -35.036 1.00 37.62 O HETATM 1606 O HOH B 19 6.380 6.853 -34.806 1.00 30.87 O HETATM 1607 O HOH B 23 15.036 3.192 -39.973 1.00 39.65 O HETATM 1608 O HOH B 26 3.395 0.062 -30.460 1.00 42.62 O HETATM 1609 O HOH B 30 5.454 0.165 -24.404 1.00 85.78 O HETATM 1610 O HOH B 31 14.763 -14.084 2.681 1.00 55.42 O HETATM 1611 O HOH B 33 11.001 -12.860 -7.844 1.00 49.90 O HETATM 1612 O HOH B 34 9.134 7.638 -26.241 1.00 52.64 O HETATM 1613 O HOH B 39 2.608 7.858 -38.612 1.00 54.57 O HETATM 1614 O HOH B 41 6.855 -7.734 -3.312 1.00 43.34 O HETATM 1615 O HOH B 43 6.071 -10.977 -11.150 1.00 57.67 O HETATM 1616 O HOH B 46 7.507 -7.299 -24.079 1.00 59.09 O HETATM 1617 O HOH B 49 1.338 -3.637 -10.889 1.00 56.68 O HETATM 1618 O HOH B 54 12.424 7.175 -44.729 1.00 51.38 O HETATM 1619 O HOH B 58 19.335 0.579 -32.119 1.00 48.46 O HETATM 1620 O HOH B 136 0.979 -4.089 -22.218 1.00 60.63 O HETATM 1621 O HOH B 137 16.292 -0.431 -25.790 1.00 54.90 O HETATM 1622 O HOH B 138 6.554 -6.835 -5.783 1.00 56.16 O HETATM 1623 O HOH B 139 7.845 -9.504 -23.052 1.00 70.30 O HETATM 1624 O HOH B 140 31.839 -11.495 3.035 1.00 57.60 O HETATM 1625 O HOH B 141 11.789 -7.748 2.916 1.00 62.58 O HETATM 1626 O HOH B 142 8.539 -0.922 -25.722 1.00 50.53 O HETATM 1627 O HOH B 143 9.273 -11.613 -1.650 1.00 51.10 O HETATM 1628 O HOH W 13 3.141 12.136 -31.304 1.00 49.98 O HETATM 1629 O HOH W 18 8.008 5.467 -25.998 1.00 43.68 O HETATM 1630 O HOH W 20 26.040 17.082 -38.968 1.00 34.03 O HETATM 1631 O HOH W 29 10.109 16.646 -34.508 1.00 49.09 O HETATM 1632 O HOH W 36 15.450 15.744 -33.662 1.00 45.68 O HETATM 1633 O HOH W 38 3.080 14.157 -43.878 1.00 65.31 O HETATM 1634 O HOH W 40 0.836 10.468 -31.155 1.00 61.13 O HETATM 1635 O HOH W 45 18.706 14.071 -33.652 1.00 48.00 O HETATM 1636 O HOH W 47 23.812 20.795 -38.349 1.00 39.64 O HETATM 1637 O HOH W 55 14.682 12.892 -41.343 1.00 39.36 O HETATM 1638 O HOH W 56 3.973 14.259 -41.317 1.00 58.05 O HETATM 1639 O HOH W 57 17.606 16.140 -32.537 1.00 52.24 O HETATM 1640 O HOH W 78 10.429 14.621 -41.601 1.00 39.36 O HETATM 1641 O HOH W 79 25.268 8.786 -39.641 1.00 51.99 O HETATM 1642 O HOH W 80 5.475 13.858 -25.961 1.00 53.85 O HETATM 1643 O HOH W 93 21.128 13.403 -32.577 1.00 60.26 O HETATM 1644 O HOH W 96 27.862 9.457 -39.791 1.00 52.95 O HETATM 1645 O HOH X 9 14.328 6.326 -34.120 1.00 30.57 O HETATM 1646 O HOH X 10 14.697 5.113 -43.779 1.00 35.68 O HETATM 1647 O HOH X 14 16.828 6.308 -29.103 1.00 40.28 O HETATM 1648 O HOH X 17 21.174 7.962 -34.447 1.00 49.28 O HETATM 1649 O HOH X 24 18.407 0.562 -45.390 1.00 51.00 O HETATM 1650 O HOH X 25 16.457 11.183 -26.667 1.00 40.84 O HETATM 1651 O HOH X 27 10.564 18.003 -31.692 1.00 46.10 O HETATM 1652 O HOH X 59 4.787 17.116 -28.457 1.00 47.04 O HETATM 1653 O HOH X 72 22.677 5.274 -36.736 1.00 54.00 O HETATM 1654 O HOH X 92 18.294 13.509 -25.332 1.00 52.68 O HETATM 1655 O HOH X 94 22.218 4.860 -41.969 1.00 47.95 O HETATM 1656 O HOH X 95 20.758 17.518 -28.515 1.00 50.99 O HETATM 1657 O HOH A 3 5.702 -14.832 -26.953 1.00 56.29 O HETATM 1658 O HOH A 4 -0.619 -1.684 -50.116 1.00 36.67 O HETATM 1659 O HOH A 7 3.948 -9.809 -35.761 1.00 38.59 O HETATM 1660 O HOH A 11 15.820 -2.841 -1.018 1.00 39.95 O HETATM 1661 O HOH A 16 19.852 -1.298 -13.140 1.00 40.91 O HETATM 1662 O HOH A 21 10.519 -14.601 -36.321 1.00 47.44 O HETATM 1663 O HOH A 22 8.731 -14.451 -32.023 1.00 51.97 O HETATM 1664 O HOH A 28 15.704 -12.043 -16.869 1.00 57.08 O HETATM 1665 O HOH A 32 13.678 -8.997 -32.888 1.00 50.91 O HETATM 1666 O HOH A 37 14.098 -10.452 -30.607 1.00 46.20 O HETATM 1667 O HOH A 42 20.283 -2.829 -2.363 1.00 46.08 O HETATM 1668 O HOH A 44 23.380 -5.564 -22.719 1.00 58.51 O HETATM 1669 O HOH A 48 18.132 -4.138 -31.652 1.00 50.65 O HETATM 1670 O HOH A 50 12.318 -9.357 -42.480 1.00 50.42 O HETATM 1671 O HOH A 136 17.127 3.728 -15.983 1.00 49.13 O HETATM 1672 O HOH A 137 19.475 -0.879 -8.284 1.00 48.77 O HETATM 1673 O HOH A 138 21.664 -0.659 -3.831 1.00 51.12 O HETATM 1674 O HOH A 139 18.178 -1.678 -0.794 1.00 42.74 O HETATM 1675 O HOH A 140 18.093 -19.060 -8.462 1.00 67.40 O HETATM 1676 O HOH A 141 14.676 -7.561 -21.938 1.00 48.56 O HETATM 1677 O HOH A 142 5.169 -12.867 -21.420 1.00 71.17 O HETATM 1678 O HOH A 143 3.660 -8.212 -45.000 1.00 53.00 O HETATM 1679 O HOH A 144 21.888 1.277 -2.030 1.00 45.20 O HETATM 1680 O HOH A 145 1.775 -4.188 -39.349 1.00 40.25 O HETATM 1681 O HOH A 146 11.901 -0.746 -47.185 1.00 51.29 O HETATM 1682 O HOH A 147 22.723 -9.282 -12.674 1.00 49.20 O HETATM 1683 O HOH A 148 30.489 -9.927 -5.553 1.00 70.03 O HETATM 1684 O HOH A 149 6.948 -9.372 -41.517 1.00 40.02 O HETATM 1685 O HOH A 150 6.533 -8.938 -44.062 1.00 53.88 O HETATM 1686 O HOH A 151 10.821 -9.657 -46.507 1.00 49.23 O HETATM 1687 O HOH A 152 9.954 -10.501 -42.368 1.00 52.17 O HETATM 1688 O HOH A 153 31.295 -5.920 -3.719 1.00 54.77 O HETATM 1689 O HOH A 154 33.554 -10.303 -2.091 1.00 71.38 O HETATM 1690 O HOH C 9 34.634 4.033 -7.166 1.00 61.36 O HETATM 1691 O HOH C 10 18.109 -13.190 -17.340 1.00 61.06 O HETATM 1692 O HOH C 51 33.807 -8.741 -8.809 1.00 66.39 O HETATM 1693 O HOH C 52 28.163 5.328 -14.239 1.00 66.46 O HETATM 1694 O HOH C 68 29.599 15.884 -9.109 1.00 53.61 O HETATM 1695 O HOH D 35 18.784 1.076 -1.748 1.00 44.53 O HETATM 1696 O HOH D 53 36.810 -10.997 -18.715 1.00 56.67 O HETATM 1697 O HOH D 63 20.036 0.658 -5.771 1.00 42.22 O CONECT 116 951 CONECT 951 116 MASTER 401 0 0 2 6 0 0 6 1691 6 2 16 END
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Entry Information
PDB ID
3igm
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
AP2 domain of PF14_0633 from P. falciparum
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.5uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Mol.Biol. Vol. 395: pp. 558-567
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):
Q8IKH2
Entrez Gene ID
NCBI Entrez Gene ID:
812215
ASD
Information of known allosteric effects of PDB entries
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