Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 11-JUL-01 1JK1 TITLE ZIF268 D20A MUTANT BOUND TO WT DNA SITE COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*G)-3'; COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*TP*CP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'; COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: ZIF268; COMPND 11 CHAIN: A; COMPND 12 FRAGMENT: ZINC FINGERS (RESIDUES 333-421); COMPND 13 SYNONYM: EARLY GROWTH RESPONSE PROTEIN 1; COMPND 14 ENGINEERED: YES; COMPND 15 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 7 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 8 ORGANISM_TAXID: 10090; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 11 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 12 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PZIFD20A KEYWDS ZINC FINGER, DOUBLE-STRANDED DNA, PROTEIN-DNA COMPLEX, KEYWDS 2 TRANSCRIPTION/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.C.MILLER,C.O.PABO REVDAT 3 24-FEB-09 1JK1 1 VERSN REVDAT 2 01-APR-03 1JK1 1 JRNL REVDAT 1 19-OCT-01 1JK1 0 JRNL AUTH J.C.MILLER,C.O.PABO JRNL TITL REARRANGEMENT OF SIDE-CHAINS IN A ZIF268 MUTANT JRNL TITL 2 HIGHLIGHTS THE COMPLEXITIES OF ZINC FINGER-DNA JRNL TITL 3 RECOGNITION. JRNL REF J.MOL.BIOL. V. 313 309 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11800559 JRNL DOI 10.1006/JMBI.2001.4975 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.ELROD-ERICKSON,M.A.ROULD,L.NEKLUDOVA,C.O.PABO REMARK 1 TITL ZIF268 PROTEIN-DNA COMPLEX REFINED AT 1.6 A: A REMARK 1 TITL 2 MODEL SYSTEM FOR UNDERSTANDING ZINC FINGER-DNA REMARK 1 TITL 3 INTERACTIONS REMARK 1 REF STRUCTURE V. 4 1171 1996 REMARK 1 REFN ISSN 0969-2126 REMARK 1 DOI 10.1016/S0969-2126(96)00125-6 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.ELROD-ERICKSON,C.O.PABO REMARK 1 TITL BINDING STUDIES WITH MUTANTS OF ZIF268. REMARK 1 TITL 2 CONTRIBUTION OF INDIVIDUAL SIDE CHAINS TO BINDING REMARK 1 TITL 3 AFFINITY AND SPECIFICITY IN THE ZIF268 ZINC REMARK 1 TITL 4 FINGER-DNA COMPLEX REMARK 1 REF J.BIOL.CHEM. V. 274 19281 1999 REMARK 1 REFN ISSN 0021-9258 REMARK 1 DOI 10.1074/JBC.274.27.19281 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.6 REMARK 3 NUMBER OF REFLECTIONS : 11780 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 SET) : 0.214 REMARK 3 FREE R VALUE : 0.266 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.200 REMARK 3 FREE R VALUE TEST SET COUNT : 1207 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 67.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1303 REMARK 3 BIN R VALUE (WORKING SET) : 0.3400 REMARK 3 BIN FREE R VALUE : 0.3520 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 156 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 709 REMARK 3 NUCLEIC ACID ATOMS : 445 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 136 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.25 REMARK 3 ESD FROM SIGMAA (A) : 0.30 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.31 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.70 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.38 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.920 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.090 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.340 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.620 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARNDBX.DNA REMARK 3 PARAMETER FILE 3 : PARAM11.WAT REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPNDBX.DNA REMARK 3 TOPOLOGY FILE 3 : TOPH11.WAT REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JK1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013864. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-MAY-99 REMARK 200 TEMPERATURE (KELVIN) : 125 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : YALE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13117 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.05600 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: 1AAY.PDB WITH WATERS AND SIDECHAINS FOR REMARK 200 RESIDUES 18,20, AND 21 REMOVED REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.35 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.29 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 300 MM NACL, 10% PEG 1450, 25 MM REMARK 280 BIS-TRIS PROPANE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K 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 65.73500 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 65.73500 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 22.13000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 28.12000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 22.13000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 28.12000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 65.73500 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 22.13000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 28.12000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 65.73500 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 22.13000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 28.12000 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 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 101 REMARK 465 GLU A 102 REMARK 465 GLN A 188 REMARK 465 LYS A 189 REMARK 465 ASP A 190 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 ARG A 178 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC B 3 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 107 SG REMARK 620 2 CYS A 112 SG 106.9 REMARK 620 3 HIS A 125 NE2 95.1 92.5 REMARK 620 4 HIS A 129 NE2 123.5 118.4 113.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 202 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 137 SG REMARK 620 2 CYS A 140 SG 117.9 REMARK 620 3 HIS A 153 NE2 107.6 108.9 REMARK 620 4 HIS A 157 NE2 103.6 115.1 102.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 203 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 165 SG REMARK 620 2 CYS A 168 SG 116.1 REMARK 620 3 HIS A 181 NE2 112.1 100.8 REMARK 620 4 HIS A 185 NE2 101.2 121.7 104.7 REMARK 620 N 1 2 3 REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 202 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 203 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AAY RELATED DB: PDB REMARK 900 WT ZIF268 ZINC FINGER-DNA COMPLEX REMARK 900 RELATED ID: 1JK2 RELATED DB: PDB REMARK 900 ZIF268 D20A MUTANT BOUND TO THE GCT DNA SITE DBREF 1JK1 A 102 190 UNP P08046 EGR1_MOUSE 333 421 DBREF 1JK1 B 1 11 PDB 1JK1 1JK1 1 11 DBREF 1JK1 C 51 61 PDB 1JK1 1JK1 51 61 SEQADV 1JK1 MET A 101 UNP P08046 CLONING ARTIFACT SEQADV 1JK1 ALA A 120 UNP P08046 ASP 351 ENGINEERED SEQRES 1 B 11 DA DG DC DG DT DG DG DG DC DG DG SEQRES 1 C 11 DT DC DC DG DC DC DC DA DC DG DC SEQRES 1 A 90 MET GLU ARG PRO TYR ALA CYS PRO VAL GLU SER CYS ASP SEQRES 2 A 90 ARG ARG PHE SER ARG SER ALA GLU LEU THR ARG HIS ILE SEQRES 3 A 90 ARG ILE HIS THR GLY GLN LYS PRO PHE GLN CYS ARG ILE SEQRES 4 A 90 CYS MET ARG ASN PHE SER ARG SER ASP HIS LEU THR THR SEQRES 5 A 90 HIS ILE ARG THR HIS THR GLY GLU LYS PRO PHE ALA CYS SEQRES 6 A 90 ASP ILE CYS GLY ARG LYS PHE ALA ARG SER ASP GLU ARG SEQRES 7 A 90 LYS ARG HIS THR LYS ILE HIS LEU ARG GLN LYS ASP HET ZN A 201 1 HET ZN A 202 1 HET ZN A 203 1 HETNAM ZN ZINC ION FORMUL 4 ZN 3(ZN 2+) FORMUL 7 HOH *136(H2 O) HELIX 1 1 SER A 119 THR A 130 1 12 HELIX 2 2 SER A 147 THR A 158 1 12 HELIX 3 3 SER A 175 HIS A 185 1 11 SHEET 1 A 2 TYR A 105 ALA A 106 0 SHEET 2 A 2 ARG A 115 PHE A 116 -1 N PHE A 116 O TYR A 105 SHEET 1 B 2 PHE A 135 GLN A 136 0 SHEET 2 B 2 ASN A 143 PHE A 144 -1 O PHE A 144 N PHE A 135 SHEET 1 C 2 PHE A 163 ALA A 164 0 SHEET 2 C 2 LYS A 171 PHE A 172 -1 O PHE A 172 N PHE A 163 LINK ZN ZN A 201 SG CYS A 107 1555 1555 2.24 LINK ZN ZN A 201 SG CYS A 112 1555 1555 2.48 LINK ZN ZN A 201 NE2 HIS A 125 1555 1555 2.60 LINK ZN ZN A 201 NE2 HIS A 129 1555 1555 1.85 LINK ZN ZN A 202 SG CYS A 137 1555 1555 2.28 LINK ZN ZN A 202 SG CYS A 140 1555 1555 2.19 LINK ZN ZN A 202 NE2 HIS A 153 1555 1555 2.00 LINK ZN ZN A 202 NE2 HIS A 157 1555 1555 2.09 LINK ZN ZN A 203 SG CYS A 165 1555 1555 2.24 LINK ZN ZN A 203 SG CYS A 168 1555 1555 2.21 LINK ZN ZN A 203 NE2 HIS A 181 1555 1555 2.14 LINK ZN ZN A 203 NE2 HIS A 185 1555 1555 2.02 SITE 1 AC1 4 CYS A 107 CYS A 112 HIS A 125 HIS A 129 SITE 1 AC2 4 CYS A 137 CYS A 140 HIS A 153 HIS A 157 SITE 1 AC3 4 CYS A 165 CYS A 168 HIS A 181 HIS A 185 CRYST1 44.260 56.240 131.470 90.00 90.00 90.00 C 2 2 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.022594 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017781 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007606 0.00000 ATOM 1 O5' DA B 1 12.148 24.877 40.580 1.00 23.29 O ATOM 2 C5' DA B 1 13.368 25.253 39.974 1.00 22.17 C ATOM 3 C4' DA B 1 14.539 24.553 40.617 1.00 21.64 C ATOM 4 O4' DA B 1 14.684 24.966 41.992 1.00 22.42 O ATOM 5 C3' DA B 1 14.443 23.029 40.647 1.00 21.70 C ATOM 6 O3' DA B 1 15.746 22.492 40.466 1.00 25.73 O ATOM 7 C2' DA B 1 13.999 22.728 42.061 1.00 20.90 C ATOM 8 C1' DA B 1 14.708 23.823 42.839 1.00 19.51 C ATOM 9 N9 DA B 1 14.012 24.171 44.072 1.00 15.50 N ATOM 10 C8 DA B 1 14.458 24.012 45.356 1.00 14.50 C ATOM 11 N7 DA B 1 13.603 24.409 46.264 1.00 14.96 N ATOM 12 C5 DA B 1 12.516 24.854 45.525 1.00 14.16 C ATOM 13 C6 DA B 1 11.280 25.377 45.905 1.00 15.98 C ATOM 14 N6 DA B 1 10.912 25.530 47.180 1.00 20.33 N ATOM 15 N1 DA B 1 10.415 25.737 44.923 1.00 18.31 N ATOM 16 C2 DA B 1 10.787 25.560 43.649 1.00 17.34 C ATOM 17 N3 DA B 1 11.929 25.065 43.172 1.00 15.70 N ATOM 18 C4 DA B 1 12.757 24.726 44.174 1.00 13.87 C ATOM 19 P DG B 2 15.908 21.015 39.891 1.00 27.56 P ATOM 20 OP1 DG B 2 17.270 20.884 39.314 1.00 28.06 O ATOM 21 OP2 DG B 2 14.700 20.731 39.060 1.00 27.81 O ATOM 22 O5' DG B 2 15.853 20.115 41.196 1.00 27.05 O ATOM 23 C5' DG B 2 17.008 19.992 42.017 1.00 24.45 C ATOM 24 C4' DG B 2 16.746 19.015 43.134 1.00 25.45 C ATOM 25 O4' DG B 2 15.947 19.612 44.177 1.00 22.72 O ATOM 26 C3' DG B 2 16.012 17.745 42.709 1.00 24.34 C ATOM 27 O3' DG B 2 16.641 16.664 43.387 1.00 28.03 O ATOM 28 C2' DG B 2 14.592 17.965 43.207 1.00 21.05 C ATOM 29 C1' DG B 2 14.842 18.771 44.465 1.00 20.06 C ATOM 30 N9 DG B 2 13.749 19.619 44.917 1.00 16.09 N ATOM 31 C8 DG B 2 12.797 20.246 44.156 1.00 12.02 C ATOM 32 N7 DG B 2 11.955 20.940 44.868 1.00 13.14 N ATOM 33 C5 DG B 2 12.382 20.763 46.180 1.00 12.42 C ATOM 34 C6 DG B 2 11.860 21.277 47.408 1.00 13.39 C ATOM 35 O6 DG B 2 10.885 22.014 47.581 1.00 13.01 O ATOM 36 N1 DG B 2 12.604 20.843 48.507 1.00 12.55 N ATOM 37 C2 DG B 2 13.707 20.030 48.433 1.00 14.15 C ATOM 38 N2 DG B 2 14.298 19.730 49.593 1.00 15.56 N ATOM 39 N3 DG B 2 14.200 19.545 47.302 1.00 14.74 N ATOM 40 C4 DG B 2 13.488 19.951 46.224 1.00 15.37 C ATOM 41 P DC B 3 16.272 15.157 43.008 1.00 27.45 P ATOM 42 OP1 DC B 3 17.547 14.402 43.049 1.00 25.94 O ATOM 43 OP2 DC B 3 15.402 15.113 41.796 1.00 22.32 O ATOM 44 O5' DC B 3 15.366 14.728 44.241 1.00 24.79 O ATOM 45 C5' DC B 3 15.807 14.952 45.585 1.00 20.38 C ATOM 46 C4' DC B 3 14.644 14.818 46.536 1.00 18.91 C ATOM 47 O4' DC B 3 13.815 16.010 46.577 1.00 17.22 O ATOM 48 C3' DC B 3 13.688 13.652 46.246 1.00 18.04 C ATOM 49 O3' DC B 3 13.376 13.022 47.484 1.00 20.83 O ATOM 50 C2' DC B 3 12.425 14.346 45.765 1.00 16.17 C ATOM 51 C1' DC B 3 12.489 15.547 46.674 1.00 15.00 C ATOM 52 N1 DC B 3 11.566 16.666 46.463 1.00 15.78 N ATOM 53 C2 DC B 3 11.251 17.468 47.568 1.00 14.61 C ATOM 54 O2 DC B 3 11.871 17.292 48.636 1.00 13.34 O ATOM 55 N3 DC B 3 10.298 18.411 47.447 1.00 13.53 N ATOM 56 C4 DC B 3 9.690 18.597 46.273 1.00 12.95 C ATOM 57 N4 DC B 3 8.721 19.517 46.214 1.00 10.91 N ATOM 58 C5 DC B 3 10.042 17.842 45.110 1.00 12.03 C ATOM 59 C6 DC B 3 10.978 16.899 45.249 1.00 13.15 C ATOM 60 P DG B 4 13.225 11.427 47.562 1.00 18.84 P ATOM 61 OP1 DG B 4 14.512 10.844 47.197 1.00 17.33 O ATOM 62 OP2 DG B 4 11.990 11.017 46.839 1.00 18.28 O ATOM 63 O5' DG B 4 12.988 11.205 49.119 1.00 19.48 O ATOM 64 C5' DG B 4 13.906 11.759 50.077 1.00 16.36 C ATOM 65 C4' DG B 4 13.157 12.181 51.313 1.00 17.25 C ATOM 66 O4' DG B 4 12.424 13.403 51.057 1.00 15.83 O ATOM 67 C3' DG B 4 12.123 11.147 51.746 1.00 18.92 C ATOM 68 O3' DG B 4 12.178 10.959 53.159 1.00 24.49 O ATOM 69 C2' DG B 4 10.799 11.746 51.302 1.00 16.29 C ATOM 70 C1' DG B 4 11.060 13.238 51.372 1.00 11.80 C ATOM 71 N9 DG B 4 10.297 14.018 50.412 1.00 13.19 N ATOM 72 C8 DG B 4 10.448 14.019 49.049 1.00 9.82 C ATOM 73 N7 DG B 4 9.616 14.821 48.445 1.00 11.60 N ATOM 74 C5 DG B 4 8.871 15.387 49.470 1.00 11.15 C ATOM 75 C6 DG B 4 7.811 16.334 49.428 1.00 10.96 C ATOM 76 O6 DG B 4 7.305 16.877 48.450 1.00 14.90 O ATOM 77 N1 DG B 4 7.338 16.635 50.701 1.00 14.18 N ATOM 78 C2 DG B 4 7.831 16.101 51.867 1.00 13.97 C ATOM 79 N2 DG B 4 7.264 16.531 53.005 1.00 15.87 N ATOM 80 N3 DG B 4 8.811 15.217 51.918 1.00 14.40 N ATOM 81 C4 DG B 4 9.279 14.904 50.692 1.00 12.30 C ATOM 82 P DT B 5 11.456 9.683 53.813 1.00 25.37 P ATOM 83 OP1 DT B 5 11.980 9.553 55.191 1.00 26.82 O ATOM 84 OP2 DT B 5 11.557 8.524 52.874 1.00 24.50 O ATOM 85 O5' DT B 5 9.929 10.118 53.864 1.00 21.14 O ATOM 86 C5' DT B 5 9.449 10.980 54.883 1.00 19.13 C ATOM 87 C4' DT B 5 7.970 11.198 54.709 1.00 19.97 C ATOM 88 O4' DT B 5 7.738 12.058 53.563 1.00 20.94 O ATOM 89 C3' DT B 5 7.133 9.933 54.470 1.00 21.74 C ATOM 90 O3' DT B 5 5.974 9.962 55.300 1.00 22.91 O ATOM 91 C2' DT B 5 6.676 10.074 53.021 1.00 19.62 C ATOM 92 C1' DT B 5 6.575 11.584 52.918 1.00 20.58 C ATOM 93 N1 DT B 5 6.496 12.179 51.564 1.00 19.60 N ATOM 94 C2 DT B 5 5.554 13.172 51.370 1.00 18.44 C ATOM 95 O2 DT B 5 4.867 13.625 52.269 1.00 18.66 O ATOM 96 N3 DT B 5 5.448 13.619 50.081 1.00 18.19 N ATOM 97 C4 DT B 5 6.174 13.194 48.990 1.00 18.26 C ATOM 98 O4 DT B 5 5.923 13.660 47.878 1.00 19.92 O ATOM 99 C5 DT B 5 7.190 12.185 49.275 1.00 18.23 C ATOM 100 C7 DT B 5 8.059 11.686 48.165 1.00 17.78 C ATOM 101 C6 DT B 5 7.298 11.738 50.533 1.00 16.66 C ATOM 102 P DG B 6 5.347 8.588 55.866 1.00 24.28 P ATOM 103 OP1 DG B 6 6.267 8.111 56.899 1.00 25.33 O ATOM 104 OP2 DG B 6 4.979 7.678 54.738 1.00 25.47 O ATOM 105 O5' DG B 6 3.990 9.075 56.539 1.00 22.98 O ATOM 106 C5' DG B 6 3.951 10.267 57.345 1.00 26.08 C ATOM 107 C4' DG B 6 2.663 11.019 57.108 1.00 25.26 C ATOM 108 O4' DG B 6 2.745 11.760 55.862 1.00 23.26 O ATOM 109 C3' DG B 6 1.437 10.108 57.000 1.00 27.83 C ATOM 110 O3' DG B 6 0.331 10.582 57.775 1.00 27.76 O ATOM 111 C2' DG B 6 1.101 10.127 55.520 1.00 26.86 C ATOM 112 C1' DG B 6 1.611 11.484 55.053 1.00 25.07 C ATOM 113 N9 DG B 6 2.041 11.461 53.653 1.00 23.70 N ATOM 114 C8 DG B 6 3.049 10.693 53.115 1.00 22.69 C ATOM 115 N7 DG B 6 3.175 10.841 51.826 1.00 18.60 N ATOM 116 C5 DG B 6 2.202 11.771 51.487 1.00 18.52 C ATOM 117 C6 DG B 6 1.866 12.323 50.236 1.00 14.37 C ATOM 118 O6 DG B 6 2.367 12.095 49.142 1.00 15.99 O ATOM 119 N1 DG B 6 0.826 13.229 50.335 1.00 15.19 N ATOM 120 C2 DG B 6 0.178 13.559 51.491 1.00 18.20 C ATOM 121 N2 DG B 6 -0.830 14.432 51.365 1.00 17.61 N ATOM 122 N3 DG B 6 0.485 13.062 52.677 1.00 19.67 N ATOM 123 C4 DG B 6 1.499 12.175 52.602 1.00 20.31 C ATOM 124 P DG B 7 -1.032 9.730 57.806 1.00 29.59 P ATOM 125 OP1 DG B 7 -1.613 9.752 59.171 1.00 32.33 O ATOM 126 OP2 DG B 7 -0.783 8.425 57.140 1.00 33.83 O ATOM 127 O5' DG B 7 -1.996 10.563 56.852 1.00 29.90 O ATOM 128 C5' DG B 7 -2.301 11.932 57.139 1.00 25.79 C ATOM 129 C4' DG B 7 -3.368 12.432 56.197 1.00 24.88 C ATOM 130 O4' DG B 7 -2.818 12.551 54.865 1.00 23.87 O ATOM 131 C3' DG B 7 -4.608 11.552 56.064 1.00 25.06 C ATOM 132 O3' DG B 7 -5.749 12.402 55.904 1.00 28.56 O ATOM 133 C2' DG B 7 -4.332 10.773 54.788 1.00 23.74 C ATOM 134 C1' DG B 7 -3.589 11.802 53.948 1.00 20.94 C ATOM 135 N9 DG B 7 -2.665 11.258 52.958 1.00 20.27 N ATOM 136 C8 DG B 7 -1.576 10.458 53.205 1.00 20.65 C ATOM 137 N7 DG B 7 -0.892 10.176 52.129 1.00 19.31 N ATOM 138 C5 DG B 7 -1.583 10.813 51.108 1.00 17.39 C ATOM 139 C6 DG B 7 -1.311 10.867 49.729 1.00 16.58 C ATOM 140 O6 DG B 7 -0.375 10.336 49.116 1.00 18.62 O ATOM 141 N1 DG B 7 -2.256 11.633 49.047 1.00 15.00 N ATOM 142 C2 DG B 7 -3.326 12.264 49.633 1.00 14.47 C ATOM 143 N2 DG B 7 -4.116 12.979 48.819 1.00 14.20 N ATOM 144 N3 DG B 7 -3.599 12.206 50.926 1.00 14.86 N ATOM 145 C4 DG B 7 -2.688 11.475 51.599 1.00 16.96 C ATOM 146 P DG B 8 -7.230 11.837 56.166 1.00 31.64 P ATOM 147 OP1 DG B 8 -7.871 12.684 57.207 1.00 34.65 O ATOM 148 OP2 DG B 8 -7.144 10.372 56.359 1.00 34.75 O ATOM 149 O5' DG B 8 -7.989 12.118 54.802 1.00 31.43 O ATOM 150 C5' DG B 8 -7.258 12.198 53.590 1.00 29.06 C ATOM 151 C4' DG B 8 -8.189 12.382 52.420 1.00 27.62 C ATOM 152 O4' DG B 8 -7.411 12.043 51.255 1.00 25.36 O ATOM 153 C3' DG B 8 -9.369 11.420 52.401 1.00 26.90 C ATOM 154 O3' DG B 8 -10.413 12.007 51.624 1.00 28.93 O ATOM 155 C2' DG B 8 -8.789 10.182 51.744 1.00 25.69 C ATOM 156 C1' DG B 8 -7.794 10.766 50.756 1.00 23.30 C ATOM 157 N9 DG B 8 -6.578 9.981 50.599 1.00 19.63 N ATOM 158 C8 DG B 8 -5.881 9.327 51.584 1.00 18.02 C ATOM 159 N7 DG B 8 -4.806 8.729 51.141 1.00 17.54 N ATOM 160 C5 DG B 8 -4.798 8.998 49.774 1.00 16.85 C ATOM 161 C6 DG B 8 -3.882 8.607 48.762 1.00 12.69 C ATOM 162 O6 DG B 8 -2.864 7.922 48.872 1.00 12.69 O ATOM 163 N1 DG B 8 -4.253 9.099 47.511 1.00 15.48 N ATOM 164 C2 DG B 8 -5.365 9.865 47.261 1.00 14.29 C ATOM 165 N2 DG B 8 -5.555 10.238 45.985 1.00 14.54 N ATOM 166 N3 DG B 8 -6.230 10.237 48.194 1.00 17.63 N ATOM 167 C4 DG B 8 -5.887 9.768 49.422 1.00 18.17 C ATOM 168 P DC B 9 -11.747 11.176 51.310 1.00 32.05 P ATOM 169 OP1 DC B 9 -12.818 12.127 50.915 1.00 29.72 O ATOM 170 OP2 DC B 9 -11.980 10.215 52.426 1.00 33.03 O ATOM 171 O5' DC B 9 -11.345 10.327 50.029 1.00 32.92 O ATOM 172 C5' DC B 9 -10.756 10.969 48.897 1.00 31.39 C ATOM 173 C4' DC B 9 -10.532 9.972 47.789 1.00 30.13 C ATOM 174 O4' DC B 9 -9.226 9.353 47.861 1.00 28.46 O ATOM 175 C3' DC B 9 -11.553 8.838 47.725 1.00 30.57 C ATOM 176 O3' DC B 9 -12.023 8.749 46.392 1.00 33.52 O ATOM 177 C2' DC B 9 -10.740 7.602 48.074 1.00 28.89 C ATOM 178 C1' DC B 9 -9.364 7.981 47.550 1.00 25.91 C ATOM 179 N1 DC B 9 -8.236 7.258 48.163 1.00 20.76 N ATOM 180 C2 DC B 9 -7.167 6.854 47.352 1.00 17.20 C ATOM 181 O2 DC B 9 -7.184 7.122 46.146 1.00 17.60 O ATOM 182 N3 DC B 9 -6.142 6.185 47.902 1.00 17.71 N ATOM 183 C4 DC B 9 -6.146 5.913 49.207 1.00 16.17 C ATOM 184 N4 DC B 9 -5.106 5.238 49.701 1.00 13.33 N ATOM 185 C5 DC B 9 -7.216 6.318 50.060 1.00 16.31 C ATOM 186 C6 DC B 9 -8.231 6.980 49.501 1.00 17.99 C ATOM 187 P DG B 10 -13.402 8.000 46.074 1.00 35.74 P ATOM 188 OP1 DG B 10 -14.434 9.024 45.763 1.00 35.41 O ATOM 189 OP2 DG B 10 -13.665 6.969 47.114 1.00 33.97 O ATOM 190 O5' DG B 10 -13.039 7.267 44.719 1.00 32.04 O ATOM 191 C5' DG B 10 -12.404 7.999 43.680 1.00 28.18 C ATOM 192 C4' DG B 10 -11.729 7.055 42.720 1.00 26.86 C ATOM 193 O4' DG B 10 -10.548 6.474 43.313 1.00 27.12 O ATOM 194 C3' DG B 10 -12.598 5.890 42.267 1.00 26.22 C ATOM 195 O3' DG B 10 -12.363 5.715 40.872 1.00 29.33 O ATOM 196 C2' DG B 10 -12.100 4.725 43.110 1.00 22.67 C ATOM 197 C1' DG B 10 -10.627 5.056 43.293 1.00 22.63 C ATOM 198 N9 DG B 10 -10.005 4.566 44.521 1.00 19.56 N ATOM 199 C8 DG B 10 -10.504 4.642 45.801 1.00 16.81 C ATOM 200 N7 DG B 10 -9.690 4.151 46.698 1.00 16.24 N ATOM 201 C5 DG B 10 -8.594 3.713 45.968 1.00 16.38 C ATOM 202 C6 DG B 10 -7.387 3.095 46.394 1.00 17.30 C ATOM 203 O6 DG B 10 -7.018 2.829 47.543 1.00 16.49 O ATOM 204 N1 DG B 10 -6.555 2.798 45.315 1.00 17.83 N ATOM 205 C2 DG B 10 -6.835 3.084 44.001 1.00 16.09 C ATOM 206 N2 DG B 10 -5.901 2.737 43.107 1.00 15.23 N ATOM 207 N3 DG B 10 -7.944 3.672 43.594 1.00 18.39 N ATOM 208 C4 DG B 10 -8.774 3.954 44.622 1.00 17.52 C ATOM 209 P DG B 11 -13.238 4.666 40.034 1.00 28.92 P ATOM 210 OP1 DG B 11 -13.337 5.164 38.634 1.00 28.70 O ATOM 211 OP2 DG B 11 -14.475 4.384 40.803 1.00 27.59 O ATOM 212 O5' DG B 11 -12.302 3.378 40.032 1.00 24.93 O ATOM 213 C5' DG B 11 -11.038 3.421 39.383 1.00 20.62 C ATOM 214 C4' DG B 11 -10.293 2.128 39.596 1.00 20.34 C ATOM 215 O4' DG B 11 -9.794 2.043 40.955 1.00 21.66 O ATOM 216 C3' DG B 11 -11.108 0.854 39.353 1.00 19.16 C ATOM 217 O3' DG B 11 -10.296 -0.087 38.651 1.00 18.64 O ATOM 218 C2' DG B 11 -11.325 0.310 40.756 1.00 20.72 C ATOM 219 C1' DG B 11 -10.032 0.729 41.425 1.00 20.20 C ATOM 220 N9 DG B 11 -10.039 0.752 42.885 1.00 17.80 N ATOM 221 C8 DG B 11 -11.037 1.215 43.716 1.00 16.79 C ATOM 222 N7 DG B 11 -10.756 1.064 44.985 1.00 16.63 N ATOM 223 C5 DG B 11 -9.497 0.471 44.991 1.00 15.99 C ATOM 224 C6 DG B 11 -8.671 0.047 46.080 1.00 16.89 C ATOM 225 O6 DG B 11 -8.890 0.119 47.298 1.00 20.79 O ATOM 226 N1 DG B 11 -7.482 -0.507 45.630 1.00 15.71 N ATOM 227 C2 DG B 11 -7.119 -0.634 44.314 1.00 15.97 C ATOM 228 N2 DG B 11 -5.920 -1.188 44.086 1.00 15.60 N ATOM 229 N3 DG B 11 -7.871 -0.248 43.297 1.00 15.75 N ATOM 230 C4 DG B 11 -9.037 0.287 43.704 1.00 15.84 C TER 231 DG B 11 ATOM 232 O5' DT C 51 -5.640 -3.641 54.799 1.00 38.44 O ATOM 233 C5' DT C 51 -5.524 -5.078 54.789 1.00 38.67 C ATOM 234 C4' DT C 51 -4.742 -5.631 53.621 1.00 38.78 C ATOM 235 O4' DT C 51 -5.673 -6.010 52.569 1.00 36.95 O ATOM 236 C3' DT C 51 -3.776 -4.615 53.007 1.00 40.71 C ATOM 237 O3' DT C 51 -2.427 -5.064 52.910 1.00 44.62 O ATOM 238 C2' DT C 51 -4.319 -4.331 51.618 1.00 36.87 C ATOM 239 C1' DT C 51 -5.346 -5.403 51.325 1.00 31.36 C ATOM 240 N1 DT C 51 -6.550 -4.720 50.831 1.00 26.93 N ATOM 241 C2 DT C 51 -6.902 -4.841 49.509 1.00 24.10 C ATOM 242 O2 DT C 51 -6.278 -5.519 48.718 1.00 23.65 O ATOM 243 N3 DT C 51 -8.013 -4.121 49.143 1.00 20.71 N ATOM 244 C4 DT C 51 -8.774 -3.293 49.952 1.00 23.21 C ATOM 245 O4 DT C 51 -9.741 -2.696 49.480 1.00 21.90 O ATOM 246 C5 DT C 51 -8.340 -3.209 51.333 1.00 22.97 C ATOM 247 C7 DT C 51 -9.070 -2.316 52.284 1.00 24.35 C ATOM 248 C6 DT C 51 -7.280 -3.935 51.697 1.00 24.29 C ATOM 249 P DC C 52 -1.291 -4.017 52.450 1.00 45.04 P ATOM 250 OP1 DC C 52 0.030 -4.503 52.950 1.00 45.35 O ATOM 251 OP2 DC C 52 -1.772 -2.651 52.828 1.00 42.25 O ATOM 252 O5' DC C 52 -1.320 -4.121 50.857 1.00 41.36 O ATOM 253 C5' DC C 52 -1.176 -5.400 50.202 1.00 36.95 C ATOM 254 C4' DC C 52 -1.256 -5.235 48.703 1.00 32.37 C ATOM 255 O4' DC C 52 -2.578 -4.783 48.336 1.00 31.25 O ATOM 256 C3' DC C 52 -0.282 -4.221 48.106 1.00 33.64 C ATOM 257 O3' DC C 52 0.201 -4.721 46.860 1.00 34.51 O ATOM 258 C2' DC C 52 -1.135 -2.979 47.896 1.00 31.88 C ATOM 259 C1' DC C 52 -2.516 -3.551 47.623 1.00 29.19 C ATOM 260 N1 DC C 52 -3.628 -2.704 48.100 1.00 26.26 N ATOM 261 C2 DC C 52 -4.658 -2.365 47.205 1.00 22.92 C ATOM 262 O2 DC C 52 -4.577 -2.738 46.025 1.00 22.47 O ATOM 263 N3 DC C 52 -5.705 -1.629 47.652 1.00 22.33 N ATOM 264 C4 DC C 52 -5.736 -1.206 48.922 1.00 18.68 C ATOM 265 N4 DC C 52 -6.787 -0.478 49.312 1.00 18.19 N ATOM 266 C5 DC C 52 -4.690 -1.510 49.845 1.00 21.82 C ATOM 267 C6 DC C 52 -3.668 -2.261 49.398 1.00 23.81 C ATOM 268 P DC C 53 1.563 -4.141 46.228 1.00 35.10 P ATOM 269 OP1 DC C 53 2.374 -5.307 45.779 1.00 38.08 O ATOM 270 OP2 DC C 53 2.175 -3.138 47.150 1.00 33.70 O ATOM 271 O5' DC C 53 1.024 -3.397 44.938 1.00 31.75 O ATOM 272 C5' DC C 53 -0.257 -2.809 44.969 1.00 28.09 C ATOM 273 C4' DC C 53 -0.532 -2.088 43.680 1.00 25.07 C ATOM 274 O4' DC C 53 -1.745 -1.353 43.922 1.00 26.17 O ATOM 275 C3' DC C 53 0.518 -1.042 43.331 1.00 24.83 C ATOM 276 O3' DC C 53 0.509 -0.849 41.914 1.00 24.28 O ATOM 277 C2' DC C 53 0.047 0.176 44.102 1.00 22.99 C ATOM 278 C1' DC C 53 -1.467 0.029 44.053 1.00 24.86 C ATOM 279 N1 DC C 53 -2.224 0.523 45.217 1.00 21.44 N ATOM 280 C2 DC C 53 -3.423 1.182 44.982 1.00 19.29 C ATOM 281 O2 DC C 53 -3.776 1.373 43.811 1.00 21.90 O ATOM 282 N3 DC C 53 -4.167 1.600 46.023 1.00 18.57 N ATOM 283 C4 DC C 53 -3.746 1.389 47.267 1.00 17.35 C ATOM 284 N4 DC C 53 -4.531 1.798 48.256 1.00 19.70 N ATOM 285 C5 DC C 53 -2.510 0.743 47.545 1.00 17.29 C ATOM 286 C6 DC C 53 -1.783 0.327 46.497 1.00 20.19 C ATOM 287 P DG C 54 1.783 -0.203 41.171 1.00 23.96 P ATOM 288 OP1 DG C 54 1.937 -0.875 39.853 1.00 25.08 O ATOM 289 OP2 DG C 54 2.944 -0.156 42.100 1.00 23.25 O ATOM 290 O5' DG C 54 1.279 1.268 40.880 1.00 21.42 O ATOM 291 C5' DG C 54 0.044 1.472 40.193 1.00 21.13 C ATOM 292 C4' DG C 54 -0.467 2.862 40.470 1.00 21.75 C ATOM 293 O4' DG C 54 -1.139 2.937 41.750 1.00 20.69 O ATOM 294 C3' DG C 54 0.638 3.919 40.510 1.00 22.10 C ATOM 295 O3' DG C 54 0.151 5.088 39.878 1.00 25.19 O ATOM 296 C2' DG C 54 0.776 4.212 41.992 1.00 19.31 C ATOM 297 C1' DG C 54 -0.674 4.100 42.395 1.00 17.91 C ATOM 298 N9 DG C 54 -0.966 3.996 43.819 1.00 15.36 N ATOM 299 C8 DG C 54 -0.166 3.480 44.808 1.00 16.94 C ATOM 300 N7 DG C 54 -0.686 3.611 45.999 1.00 16.89 N ATOM 301 C5 DG C 54 -1.907 4.237 45.774 1.00 15.69 C ATOM 302 C6 DG C 54 -2.910 4.664 46.687 1.00 15.58 C ATOM 303 O6 DG C 54 -2.918 4.582 47.924 1.00 20.46 O ATOM 304 N1 DG C 54 -3.986 5.241 46.028 1.00 12.16 N ATOM 305 C2 DG C 54 -4.083 5.396 44.675 1.00 9.63 C ATOM 306 N2 DG C 54 -5.196 5.963 44.223 1.00 9.39 N ATOM 307 N3 DG C 54 -3.157 5.022 43.824 1.00 14.04 N ATOM 308 C4 DG C 54 -2.103 4.454 44.436 1.00 13.03 C ATOM 309 P DC C 55 0.901 5.678 38.596 1.00 24.81 P ATOM 310 OP1 DC C 55 0.367 4.982 37.390 1.00 28.03 O ATOM 311 OP2 DC C 55 2.359 5.699 38.856 1.00 25.62 O ATOM 312 O5' DC C 55 0.380 7.167 38.599 1.00 26.77 O ATOM 313 C5' DC C 55 0.143 7.819 39.839 1.00 26.04 C ATOM 314 C4' DC C 55 -1.230 8.430 39.827 1.00 24.80 C ATOM 315 O4' DC C 55 -2.034 7.746 40.819 1.00 25.57 O ATOM 316 C3' DC C 55 -1.171 9.892 40.234 1.00 25.78 C ATOM 317 O3' DC C 55 -1.622 10.769 39.225 1.00 27.11 O ATOM 318 C2' DC C 55 -2.021 10.016 41.483 1.00 24.45 C ATOM 319 C1' DC C 55 -2.589 8.644 41.773 1.00 21.80 C ATOM 320 N1 DC C 55 -2.111 8.245 43.111 1.00 15.15 N ATOM 321 C2 DC C 55 -2.924 8.496 44.201 1.00 11.91 C ATOM 322 O2 DC C 55 -4.031 9.011 44.009 1.00 14.16 O ATOM 323 N3 DC C 55 -2.491 8.191 45.438 1.00 13.30 N ATOM 324 C4 DC C 55 -1.279 7.666 45.606 1.00 12.59 C ATOM 325 N4 DC C 55 -0.888 7.404 46.847 1.00 13.23 N ATOM 326 C5 DC C 55 -0.418 7.386 44.507 1.00 12.37 C ATOM 327 C6 DC C 55 -0.876 7.679 43.283 1.00 12.37 C ATOM 328 P DC C 56 -1.091 12.279 39.236 1.00 23.96 P ATOM 329 OP1 DC C 56 -1.256 12.815 37.866 1.00 25.84 O ATOM 330 OP2 DC C 56 0.254 12.260 39.862 1.00 18.18 O ATOM 331 O5' DC C 56 -2.123 12.988 40.215 1.00 22.57 O ATOM 332 C5' DC C 56 -3.528 12.844 39.998 1.00 20.80 C ATOM 333 C4' DC C 56 -4.297 13.416 41.163 1.00 22.74 C ATOM 334 O4' DC C 56 -4.034 12.641 42.353 1.00 25.16 O ATOM 335 C3' DC C 56 -3.958 14.860 41.519 1.00 22.32 C ATOM 336 O3' DC C 56 -5.165 15.529 41.859 1.00 22.48 O ATOM 337 C2' DC C 56 -3.040 14.735 42.724 1.00 20.92 C ATOM 338 C1' DC C 56 -3.570 13.483 43.398 1.00 22.41 C ATOM 339 N1 DC C 56 -2.557 12.734 44.150 1.00 19.01 N ATOM 340 C2 DC C 56 -2.769 12.506 45.498 1.00 17.13 C ATOM 341 O2 DC C 56 -3.816 12.927 46.015 1.00 18.98 O ATOM 342 N3 DC C 56 -1.839 11.835 46.208 1.00 14.79 N ATOM 343 C4 DC C 56 -0.736 11.401 45.613 1.00 12.30 C ATOM 344 N4 DC C 56 0.157 10.758 46.354 1.00 12.73 N ATOM 345 C5 DC C 56 -0.497 11.608 44.230 1.00 14.24 C ATOM 346 C6 DC C 56 -1.426 12.273 43.542 1.00 15.45 C ATOM 347 P DC C 57 -5.192 17.124 41.932 1.00 26.14 P ATOM 348 OP1 DC C 57 -6.605 17.558 41.796 1.00 21.53 O ATOM 349 OP2 DC C 57 -4.164 17.646 41.001 1.00 24.71 O ATOM 350 O5' DC C 57 -4.710 17.401 43.421 1.00 25.07 O ATOM 351 C5' DC C 57 -5.454 16.842 44.496 1.00 24.97 C ATOM 352 C4' DC C 57 -4.739 17.043 45.803 1.00 22.73 C ATOM 353 O4' DC C 57 -3.722 16.038 46.031 1.00 22.97 O ATOM 354 C3' DC C 57 -4.064 18.398 45.984 1.00 24.21 C ATOM 355 O3' DC C 57 -4.656 19.028 47.111 1.00 26.96 O ATOM 356 C2' DC C 57 -2.605 18.045 46.258 1.00 22.75 C ATOM 357 C1' DC C 57 -2.724 16.635 46.815 1.00 19.53 C ATOM 358 N1 DC C 57 -1.521 15.795 46.744 1.00 18.30 N ATOM 359 C2 DC C 57 -1.073 15.184 47.914 1.00 16.00 C ATOM 360 O2 DC C 57 -1.742 15.315 48.945 1.00 18.99 O ATOM 361 N3 DC C 57 0.065 14.462 47.894 1.00 15.42 N ATOM 362 C4 DC C 57 0.743 14.322 46.755 1.00 15.62 C ATOM 363 N4 DC C 57 1.872 13.614 46.789 1.00 14.97 N ATOM 364 C5 DC C 57 0.294 14.906 45.533 1.00 15.60 C ATOM 365 C6 DC C 57 -0.835 15.627 45.573 1.00 17.57 C ATOM 366 P DA C 58 -4.403 20.589 47.380 1.00 29.52 P ATOM 367 OP1 DA C 58 -5.703 21.194 47.792 1.00 29.10 O ATOM 368 OP2 DA C 58 -3.630 21.173 46.241 1.00 28.44 O ATOM 369 O5' DA C 58 -3.442 20.553 48.642 1.00 29.78 O ATOM 370 C5' DA C 58 -3.726 19.656 49.726 1.00 29.42 C ATOM 371 C4' DA C 58 -2.526 19.542 50.626 1.00 26.84 C ATOM 372 O4' DA C 58 -1.610 18.548 50.126 1.00 23.30 O ATOM 373 C3' DA C 58 -1.736 20.840 50.735 1.00 29.97 C ATOM 374 O3' DA C 58 -1.603 21.209 52.089 1.00 38.59 O ATOM 375 C2' DA C 58 -0.370 20.498 50.169 1.00 27.13 C ATOM 376 C1' DA C 58 -0.295 18.997 50.339 1.00 22.28 C ATOM 377 N9 DA C 58 0.581 18.350 49.360 1.00 18.34 N ATOM 378 C8 DA C 58 0.678 18.614 48.017 1.00 15.34 C ATOM 379 N7 DA C 58 1.646 17.967 47.423 1.00 15.11 N ATOM 380 C5 DA C 58 2.198 17.194 48.428 1.00 13.49 C ATOM 381 C6 DA C 58 3.272 16.299 48.449 1.00 15.38 C ATOM 382 N6 DA C 58 4.035 16.026 47.387 1.00 13.96 N ATOM 383 N1 DA C 58 3.560 15.694 49.618 1.00 15.68 N ATOM 384 C2 DA C 58 2.813 15.981 50.685 1.00 11.57 C ATOM 385 N3 DA C 58 1.790 16.808 50.796 1.00 15.14 N ATOM 386 C4 DA C 58 1.529 17.395 49.619 1.00 15.32 C ATOM 387 P DC C 59 -1.084 22.676 52.455 1.00 42.81 P ATOM 388 OP1 DC C 59 -2.212 23.379 53.133 1.00 42.66 O ATOM 389 OP2 DC C 59 -0.416 23.293 51.259 1.00 39.76 O ATOM 390 O5' DC C 59 0.049 22.364 53.512 1.00 41.20 O ATOM 391 C5' DC C 59 0.016 21.147 54.251 1.00 41.94 C ATOM 392 C4' DC C 59 1.423 20.723 54.568 1.00 41.31 C ATOM 393 O4' DC C 59 2.010 19.983 53.467 1.00 39.64 O ATOM 394 C3' DC C 59 2.332 21.927 54.807 1.00 41.87 C ATOM 395 O3' DC C 59 3.056 21.718 56.008 1.00 46.88 O ATOM 396 C2' DC C 59 3.259 21.921 53.601 1.00 40.52 C ATOM 397 C1' DC C 59 3.331 20.441 53.306 1.00 36.51 C ATOM 398 N1 DC C 59 3.811 20.045 51.973 1.00 32.66 N ATOM 399 C2 DC C 59 4.779 19.024 51.893 1.00 30.32 C ATOM 400 O2 DC C 59 5.137 18.446 52.937 1.00 27.46 O ATOM 401 N3 DC C 59 5.291 18.688 50.690 1.00 26.74 N ATOM 402 C4 DC C 59 4.865 19.307 49.589 1.00 27.13 C ATOM 403 N4 DC C 59 5.415 18.945 48.429 1.00 23.43 N ATOM 404 C5 DC C 59 3.858 20.327 49.634 1.00 28.32 C ATOM 405 C6 DC C 59 3.361 20.658 50.838 1.00 29.77 C ATOM 406 P DG C 60 3.981 22.888 56.602 1.00 48.40 P ATOM 407 OP1 DG C 60 3.509 23.126 57.990 1.00 48.59 O ATOM 408 OP2 DG C 60 4.063 24.026 55.641 1.00 48.45 O ATOM 409 O5' DG C 60 5.396 22.176 56.649 1.00 42.25 O ATOM 410 C5' DG C 60 5.476 20.776 56.930 1.00 37.11 C ATOM 411 C4' DG C 60 6.881 20.291 56.688 1.00 36.40 C ATOM 412 O4' DG C 60 7.043 19.823 55.329 1.00 32.61 O ATOM 413 C3' DG C 60 7.908 21.400 56.899 1.00 38.14 C ATOM 414 O3' DG C 60 8.969 20.958 57.732 1.00 42.66 O ATOM 415 C2' DG C 60 8.404 21.719 55.502 1.00 35.07 C ATOM 416 C1' DG C 60 8.188 20.420 54.746 1.00 31.07 C ATOM 417 N9 DG C 60 7.894 20.664 53.339 1.00 26.69 N ATOM 418 C8 DG C 60 6.931 21.506 52.832 1.00 25.01 C ATOM 419 N7 DG C 60 6.930 21.553 51.532 1.00 23.03 N ATOM 420 C5 DG C 60 7.944 20.680 51.160 1.00 21.49 C ATOM 421 C6 DG C 60 8.416 20.317 49.877 1.00 19.16 C ATOM 422 O6 DG C 60 8.021 20.704 48.781 1.00 18.88 O ATOM 423 N1 DG C 60 9.459 19.410 49.955 1.00 17.62 N ATOM 424 C2 DG C 60 9.981 18.914 51.117 1.00 17.67 C ATOM 425 N2 DG C 60 10.990 18.060 50.987 1.00 16.76 N ATOM 426 N3 DG C 60 9.548 19.237 52.320 1.00 20.48 N ATOM 427 C4 DG C 60 8.539 20.121 52.267 1.00 21.80 C ATOM 428 P DC C 61 9.876 22.042 58.485 1.00 45.25 P ATOM 429 OP1 DC C 61 10.138 21.504 59.850 1.00 45.68 O ATOM 430 OP2 DC C 61 9.293 23.410 58.315 1.00 43.76 O ATOM 431 O5' DC C 61 11.228 21.962 57.664 1.00 42.89 O ATOM 432 C5' DC C 61 11.952 20.728 57.615 1.00 38.13 C ATOM 433 C4' DC C 61 13.060 20.829 56.601 1.00 34.02 C ATOM 434 O4' DC C 61 12.483 20.789 55.273 1.00 31.37 O ATOM 435 C3' DC C 61 13.849 22.139 56.696 1.00 32.31 C ATOM 436 O3' DC C 61 15.236 21.826 56.658 1.00 33.96 O ATOM 437 C2' DC C 61 13.383 22.928 55.481 1.00 32.40 C ATOM 438 C1' DC C 61 13.081 21.805 54.499 1.00 30.15 C ATOM 439 N1 DC C 61 12.184 22.115 53.371 1.00 25.53 N ATOM 440 C2 DC C 61 12.487 21.577 52.119 1.00 21.17 C ATOM 441 O2 DC C 61 13.453 20.798 52.016 1.00 21.78 O ATOM 442 N3 DC C 61 11.724 21.908 51.058 1.00 19.71 N ATOM 443 C4 DC C 61 10.682 22.718 51.214 1.00 17.54 C ATOM 444 N4 DC C 61 9.986 23.045 50.129 1.00 16.69 N ATOM 445 C5 DC C 61 10.317 23.239 52.488 1.00 20.63 C ATOM 446 C6 DC C 61 11.093 22.921 53.530 1.00 21.68 C TER 447 DC C 61 ATOM 448 N ARG A 103 -15.111 8.219 60.006 1.00 80.29 N ATOM 449 CA ARG A 103 -13.944 7.972 60.853 1.00 79.75 C ATOM 450 C ARG A 103 -14.126 6.821 61.861 1.00 78.74 C ATOM 451 O ARG A 103 -13.947 7.017 63.068 1.00 79.26 O ATOM 452 CB ARG A 103 -13.554 9.261 61.598 1.00 79.90 C ATOM 453 CG ARG A 103 -12.417 10.064 60.962 1.00 79.00 C ATOM 454 CD ARG A 103 -12.767 10.629 59.596 1.00 77.74 C ATOM 455 NE ARG A 103 -11.611 11.270 58.971 1.00 76.78 N ATOM 456 CZ ARG A 103 -11.277 12.548 59.126 1.00 76.07 C ATOM 457 NH1 ARG A 103 -12.006 13.350 59.890 1.00 76.26 N ATOM 458 NH2 ARG A 103 -10.208 13.025 58.509 1.00 74.81 N ATOM 459 N PRO A 104 -14.474 5.605 61.379 1.00 76.71 N ATOM 460 CA PRO A 104 -14.672 4.438 62.252 1.00 74.98 C ATOM 461 C PRO A 104 -13.401 3.626 62.565 1.00 74.01 C ATOM 462 O PRO A 104 -13.484 2.543 63.155 1.00 74.11 O ATOM 463 CB PRO A 104 -15.670 3.602 61.457 1.00 74.39 C ATOM 464 CG PRO A 104 -15.197 3.800 60.066 1.00 74.86 C ATOM 465 CD PRO A 104 -14.909 5.293 60.002 1.00 75.74 C ATOM 466 N TYR A 105 -12.237 4.140 62.169 1.00 72.28 N ATOM 467 CA TYR A 105 -10.967 3.452 62.400 1.00 70.13 C ATOM 468 C TYR A 105 -9.947 4.361 63.079 1.00 68.18 C ATOM 469 O TYR A 105 -9.146 5.017 62.413 1.00 68.30 O ATOM 470 CB TYR A 105 -10.409 2.901 61.078 1.00 72.56 C ATOM 471 CG TYR A 105 -11.363 1.944 60.392 1.00 75.91 C ATOM 472 CD1 TYR A 105 -11.658 0.700 60.954 1.00 77.37 C ATOM 473 CD2 TYR A 105 -12.040 2.314 59.227 1.00 76.90 C ATOM 474 CE1 TYR A 105 -12.611 -0.150 60.377 1.00 78.18 C ATOM 475 CE2 TYR A 105 -12.994 1.471 58.639 1.00 77.52 C ATOM 476 CZ TYR A 105 -13.275 0.243 59.223 1.00 77.99 C ATOM 477 OH TYR A 105 -14.224 -0.583 58.665 1.00 77.82 O ATOM 478 N ALA A 106 -9.981 4.381 64.412 1.00 65.29 N ATOM 479 CA ALA A 106 -9.074 5.203 65.216 1.00 61.13 C ATOM 480 C ALA A 106 -7.724 4.542 65.477 1.00 57.77 C ATOM 481 O ALA A 106 -7.623 3.316 65.541 1.00 56.49 O ATOM 482 CB ALA A 106 -9.733 5.568 66.540 1.00 62.08 C ATOM 483 N CYS A 107 -6.700 5.373 65.666 1.00 54.09 N ATOM 484 CA CYS A 107 -5.345 4.902 65.932 1.00 51.77 C ATOM 485 C CYS A 107 -5.156 4.564 67.417 1.00 55.08 C ATOM 486 O CYS A 107 -5.177 5.454 68.279 1.00 55.04 O ATOM 487 CB CYS A 107 -4.326 5.953 65.495 1.00 46.54 C ATOM 488 SG CYS A 107 -2.626 5.452 65.745 1.00 36.53 S ATOM 489 N PRO A 108 -4.915 3.271 67.722 1.00 56.58 N ATOM 490 CA PRO A 108 -4.708 2.711 69.069 1.00 56.88 C ATOM 491 C PRO A 108 -3.555 3.297 69.886 1.00 56.60 C ATOM 492 O PRO A 108 -3.672 3.431 71.103 1.00 56.69 O ATOM 493 CB PRO A 108 -4.507 1.222 68.791 1.00 57.01 C ATOM 494 CG PRO A 108 -3.889 1.218 67.417 1.00 57.85 C ATOM 495 CD PRO A 108 -4.732 2.228 66.695 1.00 56.50 C ATOM 496 N VAL A 109 -2.444 3.626 69.231 1.00 56.30 N ATOM 497 CA VAL A 109 -1.303 4.201 69.931 1.00 58.24 C ATOM 498 C VAL A 109 -1.788 5.404 70.737 1.00 62.04 C ATOM 499 O VAL A 109 -2.404 6.326 70.203 1.00 62.44 O ATOM 500 CB VAL A 109 -0.182 4.595 68.952 1.00 57.17 C ATOM 501 CG1 VAL A 109 0.947 5.302 69.683 1.00 56.66 C ATOM 502 CG2 VAL A 109 0.357 3.352 68.267 1.00 56.13 C ATOM 503 N GLU A 110 -1.568 5.326 72.046 1.00 67.37 N ATOM 504 CA GLU A 110 -1.989 6.345 73.012 1.00 71.09 C ATOM 505 C GLU A 110 -1.599 7.798 72.730 1.00 71.24 C ATOM 506 O GLU A 110 -2.417 8.712 72.899 1.00 71.50 O ATOM 507 CB GLU A 110 -1.533 5.950 74.430 1.00 73.74 C ATOM 508 CG GLU A 110 -0.011 5.992 74.692 1.00 77.81 C ATOM 509 CD GLU A 110 0.774 4.889 73.979 1.00 79.75 C ATOM 510 OE1 GLU A 110 1.314 5.150 72.880 1.00 80.09 O ATOM 511 OE2 GLU A 110 0.868 3.768 74.527 1.00 81.30 O ATOM 512 N SER A 111 -0.361 8.008 72.295 1.00 70.21 N ATOM 513 CA SER A 111 0.137 9.351 72.011 1.00 68.53 C ATOM 514 C SER A 111 -0.249 9.907 70.635 1.00 67.86 C ATOM 515 O SER A 111 0.321 10.903 70.190 1.00 67.55 O ATOM 516 CB SER A 111 1.654 9.383 72.184 1.00 69.36 C ATOM 517 OG SER A 111 2.265 8.338 71.447 1.00 71.15 O ATOM 518 N CYS A 112 -1.230 9.283 69.981 1.00 65.96 N ATOM 519 CA CYS A 112 -1.688 9.726 68.665 1.00 62.95 C ATOM 520 C CYS A 112 -3.206 9.889 68.616 1.00 63.42 C ATOM 521 O CYS A 112 -3.942 9.041 69.125 1.00 61.48 O ATOM 522 CB CYS A 112 -1.227 8.745 67.586 1.00 61.89 C ATOM 523 SG CYS A 112 -1.796 9.150 65.920 1.00 55.55 S ATOM 524 N ASP A 113 -3.659 10.969 67.974 1.00 65.85 N ATOM 525 CA ASP A 113 -5.086 11.286 67.853 1.00 69.16 C ATOM 526 C ASP A 113 -5.635 11.227 66.411 1.00 68.48 C ATOM 527 O ASP A 113 -6.402 12.101 65.993 1.00 67.77 O ATOM 528 CB ASP A 113 -5.349 12.674 68.472 1.00 72.24 C ATOM 529 CG ASP A 113 -6.837 13.028 68.540 1.00 75.01 C ATOM 530 OD1 ASP A 113 -7.238 14.043 67.927 1.00 76.49 O ATOM 531 OD2 ASP A 113 -7.606 12.296 69.201 1.00 76.59 O ATOM 532 N ARG A 114 -5.272 10.189 65.659 1.00 67.59 N ATOM 533 CA ARG A 114 -5.747 10.069 64.278 1.00 66.35 C ATOM 534 C ARG A 114 -6.919 9.102 64.100 1.00 65.29 C ATOM 535 O ARG A 114 -7.063 8.131 64.843 1.00 64.25 O ATOM 536 CB ARG A 114 -4.601 9.687 63.326 1.00 65.40 C ATOM 537 CG ARG A 114 -3.438 10.679 63.259 1.00 65.09 C ATOM 538 CD ARG A 114 -3.884 12.120 62.987 1.00 67.10 C ATOM 539 NE ARG A 114 -4.499 12.316 61.674 1.00 68.52 N ATOM 540 CZ ARG A 114 -3.917 12.950 60.656 1.00 68.96 C ATOM 541 NH1 ARG A 114 -2.693 13.447 60.787 1.00 69.50 N ATOM 542 NH2 ARG A 114 -4.578 13.130 59.518 1.00 68.35 N ATOM 543 N ARG A 115 -7.768 9.408 63.121 1.00 64.72 N ATOM 544 CA ARG A 115 -8.935 8.596 62.781 1.00 64.98 C ATOM 545 C ARG A 115 -9.083 8.537 61.258 1.00 63.68 C ATOM 546 O ARG A 115 -8.963 9.558 60.573 1.00 62.15 O ATOM 547 CB ARG A 115 -10.204 9.168 63.412 1.00 67.11 C ATOM 548 CG ARG A 115 -10.394 8.812 64.871 1.00 69.77 C ATOM 549 CD ARG A 115 -11.784 9.197 65.347 1.00 71.83 C ATOM 550 NE ARG A 115 -12.142 8.518 66.590 1.00 73.71 N ATOM 551 CZ ARG A 115 -12.572 7.259 66.665 1.00 74.83 C ATOM 552 NH1 ARG A 115 -12.708 6.520 65.568 1.00 74.40 N ATOM 553 NH2 ARG A 115 -12.860 6.729 67.846 1.00 76.10 N ATOM 554 N PHE A 116 -9.367 7.344 60.740 1.00 61.64 N ATOM 555 CA PHE A 116 -9.492 7.131 59.298 1.00 60.10 C ATOM 556 C PHE A 116 -10.855 6.613 58.827 1.00 61.18 C ATOM 557 O PHE A 116 -11.576 5.943 59.568 1.00 62.16 O ATOM 558 CB PHE A 116 -8.364 6.202 58.817 1.00 56.08 C ATOM 559 CG PHE A 116 -6.991 6.770 59.034 1.00 53.41 C ATOM 560 CD1 PHE A 116 -6.396 6.724 60.286 1.00 52.20 C ATOM 561 CD2 PHE A 116 -6.323 7.422 58.006 1.00 53.68 C ATOM 562 CE1 PHE A 116 -5.162 7.327 60.516 1.00 50.95 C ATOM 563 CE2 PHE A 116 -5.085 8.028 58.228 1.00 52.50 C ATOM 564 CZ PHE A 116 -4.508 7.979 59.487 1.00 50.78 C ATOM 565 N SER A 117 -11.201 6.935 57.583 1.00 60.69 N ATOM 566 CA SER A 117 -12.469 6.513 56.999 1.00 61.49 C ATOM 567 C SER A 117 -12.434 5.074 56.517 1.00 59.92 C ATOM 568 O SER A 117 -13.474 4.428 56.389 1.00 61.09 O ATOM 569 CB SER A 117 -12.844 7.416 55.825 1.00 63.12 C ATOM 570 OG SER A 117 -13.142 8.727 56.266 1.00 66.21 O ATOM 571 N ARG A 118 -11.234 4.572 56.263 1.00 57.15 N ATOM 572 CA ARG A 118 -11.072 3.216 55.771 1.00 55.51 C ATOM 573 C ARG A 118 -9.934 2.537 56.530 1.00 53.89 C ATOM 574 O ARG A 118 -8.991 3.197 56.984 1.00 51.86 O ATOM 575 CB ARG A 118 -10.792 3.262 54.264 1.00 55.48 C ATOM 576 CG ARG A 118 -11.266 2.059 53.461 1.00 53.08 C ATOM 577 CD ARG A 118 -11.221 2.372 51.960 1.00 51.63 C ATOM 578 NE ARG A 118 -9.869 2.716 51.520 1.00 48.53 N ATOM 579 CZ ARG A 118 -9.370 2.454 50.320 1.00 47.30 C ATOM 580 NH1 ARG A 118 -10.105 1.848 49.395 1.00 46.81 N ATOM 581 NH2 ARG A 118 -8.091 2.710 50.078 1.00 44.01 N ATOM 582 N SER A 119 -10.061 1.223 56.697 1.00 53.21 N ATOM 583 CA SER A 119 -9.071 0.417 57.412 1.00 51.99 C ATOM 584 C SER A 119 -7.713 0.392 56.725 1.00 48.92 C ATOM 585 O SER A 119 -6.675 0.410 57.393 1.00 48.14 O ATOM 586 CB SER A 119 -9.574 -1.020 57.576 1.00 54.62 C ATOM 587 OG SER A 119 -10.820 -1.046 58.246 1.00 56.28 O ATOM 588 N ALA A 120 -7.732 0.330 55.392 1.00 45.64 N ATOM 589 CA ALA A 120 -6.508 0.297 54.597 1.00 41.62 C ATOM 590 C ALA A 120 -5.591 1.446 55.002 1.00 38.54 C ATOM 591 O ALA A 120 -4.367 1.310 55.040 1.00 35.14 O ATOM 592 CB ALA A 120 -6.844 0.378 53.095 1.00 41.84 C ATOM 593 N GLU A 121 -6.208 2.563 55.363 1.00 38.18 N ATOM 594 CA GLU A 121 -5.468 3.751 55.765 1.00 39.26 C ATOM 595 C GLU A 121 -4.912 3.687 57.193 1.00 37.67 C ATOM 596 O GLU A 121 -3.851 4.259 57.470 1.00 37.31 O ATOM 597 CB GLU A 121 -6.319 5.012 55.536 1.00 39.94 C ATOM 598 CG GLU A 121 -6.285 5.561 54.088 1.00 39.57 C ATOM 599 CD GLU A 121 -6.878 4.617 53.045 1.00 40.53 C ATOM 600 OE1 GLU A 121 -8.122 4.514 52.952 1.00 38.78 O ATOM 601 OE2 GLU A 121 -6.097 3.981 52.305 1.00 41.85 O ATOM 602 N LEU A 122 -5.603 2.981 58.089 1.00 35.25 N ATOM 603 CA LEU A 122 -5.116 2.852 59.461 1.00 32.24 C ATOM 604 C LEU A 122 -3.900 1.942 59.438 1.00 30.17 C ATOM 605 O LEU A 122 -2.926 2.204 60.132 1.00 30.26 O ATOM 606 CB LEU A 122 -6.180 2.263 60.393 1.00 34.21 C ATOM 607 CG LEU A 122 -6.177 2.797 61.838 1.00 34.25 C ATOM 608 CD1 LEU A 122 -6.951 1.838 62.719 1.00 34.34 C ATOM 609 CD2 LEU A 122 -4.758 2.991 62.385 1.00 32.41 C ATOM 610 N THR A 123 -3.965 0.884 58.625 1.00 28.40 N ATOM 611 CA THR A 123 -2.865 -0.078 58.477 1.00 28.16 C ATOM 612 C THR A 123 -1.609 0.612 57.929 1.00 27.90 C ATOM 613 O THR A 123 -0.486 0.347 58.390 1.00 26.40 O ATOM 614 CB THR A 123 -3.267 -1.246 57.520 1.00 29.60 C ATOM 615 OG1 THR A 123 -4.457 -1.890 58.002 1.00 30.59 O ATOM 616 CG2 THR A 123 -2.154 -2.269 57.415 1.00 28.24 C ATOM 617 N ARG A 124 -1.812 1.485 56.932 1.00 29.80 N ATOM 618 CA ARG A 124 -0.724 2.249 56.304 1.00 27.76 C ATOM 619 C ARG A 124 -0.164 3.274 57.293 1.00 27.04 C ATOM 620 O ARG A 124 1.046 3.443 57.413 1.00 24.14 O ATOM 621 CB ARG A 124 -1.220 2.978 55.047 1.00 27.37 C ATOM 622 CG ARG A 124 -0.141 3.870 54.386 1.00 27.36 C ATOM 623 CD ARG A 124 -0.645 4.670 53.169 1.00 24.32 C ATOM 624 NE ARG A 124 -1.578 5.746 53.501 1.00 19.93 N ATOM 625 CZ ARG A 124 -2.247 6.463 52.602 1.00 21.77 C ATOM 626 NH1 ARG A 124 -2.088 6.227 51.305 1.00 19.15 N ATOM 627 NH2 ARG A 124 -3.095 7.399 52.996 1.00 19.59 N ATOM 628 N HIS A 125 -1.068 3.964 57.978 1.00 29.10 N ATOM 629 CA HIS A 125 -0.707 4.970 58.969 1.00 33.46 C ATOM 630 C HIS A 125 0.047 4.376 60.158 1.00 35.05 C ATOM 631 O HIS A 125 0.939 5.026 60.707 1.00 36.59 O ATOM 632 CB HIS A 125 -1.963 5.680 59.472 1.00 35.31 C ATOM 633 CG HIS A 125 -1.758 6.436 60.745 1.00 36.57 C ATOM 634 ND1 HIS A 125 -0.857 7.471 60.859 1.00 37.17 N ATOM 635 CD2 HIS A 125 -2.333 6.301 61.963 1.00 37.00 C ATOM 636 CE1 HIS A 125 -0.885 7.945 62.089 1.00 37.51 C ATOM 637 NE2 HIS A 125 -1.773 7.253 62.779 1.00 38.86 N ATOM 638 N ILE A 126 -0.325 3.160 60.561 1.00 34.31 N ATOM 639 CA ILE A 126 0.322 2.488 61.688 1.00 35.60 C ATOM 640 C ILE A 126 1.825 2.321 61.467 1.00 34.89 C ATOM 641 O ILE A 126 2.605 2.381 62.422 1.00 33.00 O ATOM 642 CB ILE A 126 -0.361 1.114 61.998 1.00 37.95 C ATOM 643 CG1 ILE A 126 -1.468 1.306 63.039 1.00 38.94 C ATOM 644 CG2 ILE A 126 0.654 0.069 62.487 1.00 39.34 C ATOM 645 CD1 ILE A 126 -0.967 1.730 64.424 1.00 38.62 C ATOM 646 N ARG A 127 2.228 2.172 60.203 1.00 35.13 N ATOM 647 CA ARG A 127 3.642 2.003 59.846 1.00 34.07 C ATOM 648 C ARG A 127 4.526 3.170 60.311 1.00 30.08 C ATOM 649 O ARG A 127 5.739 3.021 60.452 1.00 26.97 O ATOM 650 CB ARG A 127 3.799 1.750 58.335 1.00 37.05 C ATOM 651 CG ARG A 127 2.985 0.550 57.832 1.00 42.48 C ATOM 652 CD ARG A 127 3.645 -0.170 56.641 1.00 47.98 C ATOM 653 NE ARG A 127 3.094 0.223 55.343 1.00 51.89 N ATOM 654 CZ ARG A 127 2.111 -0.422 54.709 1.00 53.46 C ATOM 655 NH1 ARG A 127 1.667 0.020 53.529 1.00 53.45 N ATOM 656 NH2 ARG A 127 1.585 -1.522 55.238 1.00 53.28 N ATOM 657 N ILE A 128 3.902 4.319 60.570 1.00 29.69 N ATOM 658 CA ILE A 128 4.600 5.513 61.050 1.00 29.83 C ATOM 659 C ILE A 128 5.162 5.223 62.444 1.00 31.83 C ATOM 660 O ILE A 128 6.310 5.566 62.752 1.00 31.28 O ATOM 661 CB ILE A 128 3.622 6.710 61.135 1.00 30.30 C ATOM 662 CG1 ILE A 128 3.327 7.240 59.733 1.00 29.76 C ATOM 663 CG2 ILE A 128 4.179 7.813 62.014 1.00 31.13 C ATOM 664 CD1 ILE A 128 2.090 8.078 59.655 1.00 29.02 C ATOM 665 N HIS A 129 4.351 4.543 63.254 1.00 30.04 N ATOM 666 CA HIS A 129 4.708 4.189 64.625 1.00 29.22 C ATOM 667 C HIS A 129 5.628 2.967 64.701 1.00 32.92 C ATOM 668 O HIS A 129 6.506 2.903 65.565 1.00 34.90 O ATOM 669 CB HIS A 129 3.432 3.943 65.435 1.00 25.22 C ATOM 670 CG HIS A 129 2.494 5.113 65.461 1.00 22.73 C ATOM 671 ND1 HIS A 129 2.915 6.399 65.725 1.00 21.35 N ATOM 672 CD2 HIS A 129 1.157 5.192 65.256 1.00 20.16 C ATOM 673 CE1 HIS A 129 1.879 7.220 65.683 1.00 21.00 C ATOM 674 NE2 HIS A 129 0.800 6.514 65.400 1.00 17.39 N ATOM 675 N THR A 130 5.430 2.005 63.794 1.00 35.07 N ATOM 676 CA THR A 130 6.247 0.784 63.764 1.00 35.46 C ATOM 677 C THR A 130 7.621 0.975 63.106 1.00 36.15 C ATOM 678 O THR A 130 8.542 0.202 63.372 1.00 36.97 O ATOM 679 CB THR A 130 5.520 -0.398 63.047 1.00 36.00 C ATOM 680 OG1 THR A 130 5.293 -0.065 61.672 1.00 37.00 O ATOM 681 CG2 THR A 130 4.180 -0.710 63.711 1.00 34.71 C ATOM 682 N GLY A 131 7.746 2.000 62.255 1.00 37.91 N ATOM 683 CA GLY A 131 8.997 2.283 61.553 1.00 36.17 C ATOM 684 C GLY A 131 9.192 1.350 60.366 1.00 37.41 C ATOM 685 O GLY A 131 10.287 1.224 59.805 1.00 38.00 O ATOM 686 N GLN A 132 8.098 0.698 59.994 1.00 36.58 N ATOM 687 CA GLN A 132 8.054 -0.258 58.905 1.00 36.64 C ATOM 688 C GLN A 132 8.278 0.385 57.531 1.00 33.75 C ATOM 689 O GLN A 132 7.426 1.133 57.052 1.00 32.48 O ATOM 690 CB GLN A 132 6.692 -0.970 58.969 1.00 41.48 C ATOM 691 CG GLN A 132 6.388 -1.983 57.877 1.00 47.79 C ATOM 692 CD GLN A 132 7.347 -3.158 57.860 1.00 52.47 C ATOM 693 OE1 GLN A 132 7.356 -3.941 56.904 1.00 54.59 O ATOM 694 NE2 GLN A 132 8.161 -3.295 58.914 1.00 54.15 N ATOM 695 N LYS A 133 9.423 0.080 56.909 1.00 30.66 N ATOM 696 CA LYS A 133 9.779 0.593 55.571 1.00 27.71 C ATOM 697 C LYS A 133 10.028 -0.567 54.603 1.00 24.59 C ATOM 698 O LYS A 133 11.173 -0.906 54.304 1.00 23.32 O ATOM 699 CB LYS A 133 11.017 1.482 55.650 1.00 25.73 C ATOM 700 CG LYS A 133 10.768 2.823 56.310 1.00 26.06 C ATOM 701 CD LYS A 133 12.043 3.612 56.319 1.00 29.30 C ATOM 702 CE LYS A 133 11.809 5.043 56.673 1.00 30.70 C ATOM 703 NZ LYS A 133 13.107 5.762 56.633 1.00 34.91 N ATOM 704 N PRO A 134 8.942 -1.140 54.053 1.00 25.42 N ATOM 705 CA PRO A 134 8.817 -2.267 53.112 1.00 27.24 C ATOM 706 C PRO A 134 9.379 -2.165 51.687 1.00 28.83 C ATOM 707 O PRO A 134 9.557 -3.194 51.020 1.00 28.98 O ATOM 708 CB PRO A 134 7.296 -2.478 53.023 1.00 25.82 C ATOM 709 CG PRO A 134 6.737 -1.775 54.225 1.00 28.11 C ATOM 710 CD PRO A 134 7.612 -0.566 54.319 1.00 26.63 C ATOM 711 N PHE A 135 9.640 -0.953 51.207 1.00 26.14 N ATOM 712 CA PHE A 135 10.098 -0.801 49.834 1.00 23.31 C ATOM 713 C PHE A 135 11.494 -0.222 49.696 1.00 22.73 C ATOM 714 O PHE A 135 11.727 0.944 49.979 1.00 26.46 O ATOM 715 CB PHE A 135 9.057 0.017 49.074 1.00 21.83 C ATOM 716 CG PHE A 135 7.635 -0.377 49.394 1.00 20.91 C ATOM 717 CD1 PHE A 135 6.961 0.201 50.465 1.00 20.90 C ATOM 718 CD2 PHE A 135 6.976 -1.342 48.643 1.00 24.53 C ATOM 719 CE1 PHE A 135 5.655 -0.169 50.787 1.00 21.45 C ATOM 720 CE2 PHE A 135 5.659 -1.723 48.961 1.00 25.76 C ATOM 721 CZ PHE A 135 5.001 -1.131 50.036 1.00 22.61 C ATOM 722 N GLN A 136 12.424 -1.057 49.251 1.00 23.43 N ATOM 723 CA GLN A 136 13.814 -0.654 49.091 1.00 23.72 C ATOM 724 C GLN A 136 14.245 -0.334 47.647 1.00 24.31 C ATOM 725 O GLN A 136 13.780 -0.958 46.682 1.00 23.25 O ATOM 726 CB GLN A 136 14.716 -1.735 49.672 1.00 25.67 C ATOM 727 CG GLN A 136 16.148 -1.305 49.878 1.00 28.32 C ATOM 728 CD GLN A 136 16.996 -2.420 50.449 1.00 31.07 C ATOM 729 OE1 GLN A 136 16.883 -3.575 50.033 1.00 32.63 O ATOM 730 NE2 GLN A 136 17.860 -2.081 51.397 1.00 32.71 N ATOM 731 N CYS A 137 15.148 0.635 47.519 1.00 23.09 N ATOM 732 CA CYS A 137 15.661 1.065 46.223 1.00 21.58 C ATOM 733 C CYS A 137 16.855 0.210 45.866 1.00 23.28 C ATOM 734 O CYS A 137 17.825 0.164 46.611 1.00 24.80 O ATOM 735 CB CYS A 137 16.085 2.537 46.277 1.00 20.48 C ATOM 736 SG CYS A 137 16.949 3.130 44.797 1.00 18.57 S ATOM 737 N ARG A 138 16.785 -0.448 44.713 1.00 24.30 N ATOM 738 CA ARG A 138 17.855 -1.324 44.242 1.00 27.04 C ATOM 739 C ARG A 138 19.174 -0.599 44.080 1.00 25.53 C ATOM 740 O ARG A 138 20.241 -1.156 44.320 1.00 24.43 O ATOM 741 CB ARG A 138 17.489 -1.914 42.876 1.00 29.77 C ATOM 742 CG ARG A 138 16.149 -2.607 42.834 1.00 31.32 C ATOM 743 CD ARG A 138 15.794 -2.933 41.414 1.00 34.76 C ATOM 744 NE ARG A 138 16.689 -3.943 40.852 1.00 35.58 N ATOM 745 CZ ARG A 138 16.348 -5.218 40.701 1.00 34.91 C ATOM 746 NH1 ARG A 138 15.133 -5.633 41.075 1.00 31.14 N ATOM 747 NH2 ARG A 138 17.210 -6.068 40.163 1.00 33.29 N ATOM 748 N ILE A 139 19.087 0.649 43.645 1.00 23.27 N ATOM 749 CA ILE A 139 20.265 1.448 43.385 1.00 21.61 C ATOM 750 C ILE A 139 21.038 1.969 44.603 1.00 22.94 C ATOM 751 O ILE A 139 22.248 1.742 44.709 1.00 22.88 O ATOM 752 CB ILE A 139 19.908 2.584 42.386 1.00 20.41 C ATOM 753 CG1 ILE A 139 19.408 1.949 41.077 1.00 19.46 C ATOM 754 CG2 ILE A 139 21.122 3.491 42.147 1.00 14.68 C ATOM 755 CD1 ILE A 139 18.168 2.588 40.488 1.00 21.18 C ATOM 756 N CYS A 140 20.355 2.626 45.535 1.00 23.47 N ATOM 757 CA CYS A 140 21.051 3.162 46.699 1.00 24.91 C ATOM 758 C CYS A 140 20.757 2.431 48.001 1.00 27.54 C ATOM 759 O CYS A 140 21.304 2.793 49.045 1.00 28.72 O ATOM 760 CB CYS A 140 20.756 4.649 46.854 1.00 25.23 C ATOM 761 SG CYS A 140 19.085 4.972 47.388 1.00 27.15 S ATOM 762 N MET A 141 19.894 1.414 47.933 1.00 28.09 N ATOM 763 CA MET A 141 19.517 0.577 49.083 1.00 31.40 C ATOM 764 C MET A 141 18.781 1.275 50.222 1.00 30.85 C ATOM 765 O MET A 141 18.743 0.769 51.344 1.00 30.51 O ATOM 766 CB MET A 141 20.730 -0.186 49.641 1.00 34.41 C ATOM 767 CG MET A 141 21.389 -1.124 48.652 1.00 39.46 C ATOM 768 SD MET A 141 20.164 -2.113 47.745 1.00 49.80 S ATOM 769 CE MET A 141 19.888 -3.530 48.869 1.00 47.17 C ATOM 770 N ARG A 142 18.199 2.433 49.932 1.00 28.77 N ATOM 771 CA ARG A 142 17.444 3.180 50.928 1.00 24.70 C ATOM 772 C ARG A 142 16.020 2.628 51.027 1.00 24.84 C ATOM 773 O ARG A 142 15.375 2.348 50.018 1.00 27.12 O ATOM 774 CB ARG A 142 17.414 4.673 50.572 1.00 22.77 C ATOM 775 CG ARG A 142 16.529 5.514 51.482 1.00 19.56 C ATOM 776 CD ARG A 142 16.736 6.989 51.247 1.00 20.35 C ATOM 777 NE ARG A 142 15.815 7.783 52.050 1.00 20.41 N ATOM 778 CZ ARG A 142 15.950 9.088 52.255 1.00 24.12 C ATOM 779 NH1 ARG A 142 16.959 9.741 51.703 1.00 22.56 N ATOM 780 NH2 ARG A 142 15.123 9.729 53.071 1.00 26.19 N ATOM 781 N ASN A 143 15.523 2.502 52.251 1.00 23.63 N ATOM 782 CA ASN A 143 14.187 1.985 52.477 1.00 21.77 C ATOM 783 C ASN A 143 13.137 3.073 52.525 1.00 19.74 C ATOM 784 O ASN A 143 13.404 4.197 52.931 1.00 19.79 O ATOM 785 CB ASN A 143 14.173 1.148 53.748 1.00 24.13 C ATOM 786 CG ASN A 143 15.169 0.004 53.682 1.00 28.00 C ATOM 787 OD1 ASN A 143 16.199 0.024 54.358 1.00 30.87 O ATOM 788 ND2 ASN A 143 14.890 -0.977 52.832 1.00 25.74 N ATOM 789 N PHE A 144 11.935 2.725 52.092 1.00 20.84 N ATOM 790 CA PHE A 144 10.829 3.662 52.059 1.00 19.96 C ATOM 791 C PHE A 144 9.570 3.022 52.612 1.00 21.30 C ATOM 792 O PHE A 144 9.378 1.805 52.508 1.00 20.91 O ATOM 793 CB PHE A 144 10.591 4.135 50.621 1.00 20.10 C ATOM 794 CG PHE A 144 11.754 4.875 50.038 1.00 19.52 C ATOM 795 CD1 PHE A 144 12.792 4.184 49.417 1.00 17.52 C ATOM 796 CD2 PHE A 144 11.843 6.269 50.165 1.00 20.25 C ATOM 797 CE1 PHE A 144 13.912 4.865 48.930 1.00 17.74 C ATOM 798 CE2 PHE A 144 12.949 6.959 49.687 1.00 17.01 C ATOM 799 CZ PHE A 144 13.989 6.258 49.069 1.00 18.08 C ATOM 800 N SER A 145 8.708 3.858 53.185 1.00 18.31 N ATOM 801 CA SER A 145 7.457 3.409 53.768 1.00 22.61 C ATOM 802 C SER A 145 6.402 3.083 52.714 1.00 23.95 C ATOM 803 O SER A 145 5.509 2.258 52.934 1.00 23.29 O ATOM 804 CB SER A 145 6.908 4.497 54.691 1.00 23.99 C ATOM 805 OG SER A 145 6.579 5.678 53.966 1.00 24.02 O ATOM 806 N ARG A 146 6.521 3.727 51.561 1.00 23.32 N ATOM 807 CA ARG A 146 5.555 3.553 50.500 1.00 23.72 C ATOM 808 C ARG A 146 6.140 3.241 49.138 1.00 24.04 C ATOM 809 O ARG A 146 7.247 3.683 48.779 1.00 22.44 O ATOM 810 CB ARG A 146 4.635 4.768 50.454 1.00 24.97 C ATOM 811 CG ARG A 146 3.607 4.737 51.576 1.00 25.90 C ATOM 812 CD ARG A 146 2.984 6.058 51.825 1.00 25.50 C ATOM 813 NE ARG A 146 2.418 6.628 50.617 1.00 24.74 N ATOM 814 CZ ARG A 146 1.432 7.508 50.618 1.00 23.78 C ATOM 815 NH1 ARG A 146 0.902 7.899 51.769 1.00 21.33 N ATOM 816 NH2 ARG A 146 1.015 8.029 49.474 1.00 22.11 N ATOM 817 N SER A 147 5.389 2.423 48.406 1.00 23.44 N ATOM 818 CA SER A 147 5.782 1.979 47.080 1.00 23.64 C ATOM 819 C SER A 147 5.789 3.121 46.077 1.00 20.45 C ATOM 820 O SER A 147 6.703 3.220 45.262 1.00 21.98 O ATOM 821 CB SER A 147 4.853 0.861 46.597 1.00 20.80 C ATOM 822 OG SER A 147 3.510 1.299 46.523 1.00 20.06 O ATOM 823 N ASP A 148 4.773 3.979 46.156 1.00 20.69 N ATOM 824 CA ASP A 148 4.649 5.111 45.251 1.00 18.43 C ATOM 825 C ASP A 148 5.771 6.135 45.433 1.00 20.10 C ATOM 826 O ASP A 148 6.223 6.748 44.461 1.00 19.92 O ATOM 827 CB ASP A 148 3.249 5.745 45.342 1.00 20.90 C ATOM 828 CG ASP A 148 2.857 6.154 46.758 1.00 23.77 C ATOM 829 OD1 ASP A 148 2.318 7.262 46.925 1.00 23.02 O ATOM 830 OD2 ASP A 148 3.045 5.368 47.706 1.00 28.14 O ATOM 831 N HIS A 149 6.261 6.270 46.665 1.00 18.21 N ATOM 832 CA HIS A 149 7.351 7.191 46.959 1.00 15.55 C ATOM 833 C HIS A 149 8.672 6.581 46.536 1.00 16.33 C ATOM 834 O HIS A 149 9.627 7.301 46.244 1.00 15.69 O ATOM 835 CB HIS A 149 7.385 7.559 48.439 1.00 14.54 C ATOM 836 CG HIS A 149 6.230 8.404 48.872 1.00 13.85 C ATOM 837 ND1 HIS A 149 5.496 9.168 47.993 1.00 13.48 N ATOM 838 CD2 HIS A 149 5.672 8.596 50.091 1.00 13.42 C ATOM 839 CE1 HIS A 149 4.534 9.793 48.644 1.00 13.00 C ATOM 840 NE2 HIS A 149 4.619 9.460 49.921 1.00 13.85 N ATOM 841 N LEU A 150 8.750 5.250 46.535 1.00 16.42 N ATOM 842 CA LEU A 150 9.967 4.591 46.089 1.00 15.12 C ATOM 843 C LEU A 150 10.121 4.848 44.592 1.00 13.52 C ATOM 844 O LEU A 150 11.208 5.150 44.123 1.00 16.82 O ATOM 845 CB LEU A 150 9.893 3.082 46.333 1.00 18.09 C ATOM 846 CG LEU A 150 10.954 2.265 45.577 1.00 17.32 C ATOM 847 CD1 LEU A 150 12.347 2.688 45.994 1.00 13.37 C ATOM 848 CD2 LEU A 150 10.727 0.761 45.768 1.00 18.87 C ATOM 849 N THR A 151 9.024 4.697 43.856 1.00 15.30 N ATOM 850 CA THR A 151 8.994 4.900 42.405 1.00 16.22 C ATOM 851 C THR A 151 9.549 6.270 42.020 1.00 17.13 C ATOM 852 O THR A 151 10.480 6.376 41.217 1.00 15.41 O ATOM 853 CB THR A 151 7.557 4.796 41.875 1.00 15.97 C ATOM 854 OG1 THR A 151 7.070 3.471 42.085 1.00 18.81 O ATOM 855 CG2 THR A 151 7.491 5.118 40.394 1.00 19.34 C ATOM 856 N THR A 152 8.997 7.314 42.629 1.00 18.16 N ATOM 857 CA THR A 152 9.440 8.662 42.332 1.00 16.50 C ATOM 858 C THR A 152 10.881 8.892 42.779 1.00 16.39 C ATOM 859 O THR A 152 11.639 9.565 42.085 1.00 16.67 O ATOM 860 CB THR A 152 8.467 9.715 42.882 1.00 17.01 C ATOM 861 OG1 THR A 152 8.384 9.619 44.307 1.00 19.07 O ATOM 862 CG2 THR A 152 7.086 9.496 42.290 1.00 15.15 C ATOM 863 N HIS A 153 11.285 8.273 43.887 1.00 15.64 N ATOM 864 CA HIS A 153 12.657 8.409 44.362 1.00 13.15 C ATOM 865 C HIS A 153 13.615 7.825 43.338 1.00 13.39 C ATOM 866 O HIS A 153 14.704 8.342 43.131 1.00 14.09 O ATOM 867 CB HIS A 153 12.862 7.678 45.706 1.00 12.61 C ATOM 868 CG HIS A 153 14.285 7.269 45.957 1.00 11.64 C ATOM 869 ND1 HIS A 153 15.245 8.140 46.417 1.00 10.83 N ATOM 870 CD2 HIS A 153 14.926 6.099 45.725 1.00 13.66 C ATOM 871 CE1 HIS A 153 16.417 7.532 46.443 1.00 10.24 C ATOM 872 NE2 HIS A 153 16.251 6.290 46.029 1.00 9.91 N ATOM 873 N ILE A 154 13.221 6.713 42.730 1.00 15.61 N ATOM 874 CA ILE A 154 14.072 6.046 41.761 1.00 15.91 C ATOM 875 C ILE A 154 14.412 6.949 40.587 1.00 14.12 C ATOM 876 O ILE A 154 15.494 6.846 40.012 1.00 14.35 O ATOM 877 CB ILE A 154 13.429 4.724 41.284 1.00 19.39 C ATOM 878 CG1 ILE A 154 13.461 3.701 42.426 1.00 17.89 C ATOM 879 CG2 ILE A 154 14.165 4.172 40.044 1.00 18.47 C ATOM 880 CD1 ILE A 154 12.667 2.454 42.142 1.00 19.06 C ATOM 881 N ARG A 155 13.487 7.847 40.252 1.00 15.59 N ATOM 882 CA ARG A 155 13.684 8.792 39.159 1.00 15.29 C ATOM 883 C ARG A 155 14.846 9.746 39.425 1.00 17.87 C ATOM 884 O ARG A 155 15.399 10.318 38.492 1.00 20.48 O ATOM 885 CB ARG A 155 12.395 9.560 38.878 1.00 17.31 C ATOM 886 CG ARG A 155 11.294 8.661 38.360 1.00 16.61 C ATOM 887 CD ARG A 155 10.045 9.419 37.991 1.00 17.33 C ATOM 888 NE ARG A 155 8.984 8.504 37.578 1.00 17.78 N ATOM 889 CZ ARG A 155 7.693 8.682 37.841 1.00 18.58 C ATOM 890 NH1 ARG A 155 7.282 9.755 38.514 1.00 18.40 N ATOM 891 NH2 ARG A 155 6.813 7.758 37.477 1.00 19.48 N ATOM 892 N THR A 156 15.252 9.883 40.689 1.00 18.94 N ATOM 893 CA THR A 156 16.381 10.757 41.030 1.00 17.79 C ATOM 894 C THR A 156 17.710 10.152 40.544 1.00 17.11 C ATOM 895 O THR A 156 18.672 10.876 40.309 1.00 17.30 O ATOM 896 CB THR A 156 16.439 11.133 42.573 1.00 17.31 C ATOM 897 OG1 THR A 156 16.847 10.007 43.368 1.00 18.73 O ATOM 898 CG2 THR A 156 15.085 11.641 43.060 1.00 12.95 C ATOM 899 N HIS A 157 17.708 8.839 40.296 1.00 17.33 N ATOM 900 CA HIS A 157 18.882 8.095 39.825 1.00 15.62 C ATOM 901 C HIS A 157 18.924 7.992 38.297 1.00 15.90 C ATOM 902 O HIS A 157 19.971 8.155 37.681 1.00 18.52 O ATOM 903 CB HIS A 157 18.866 6.653 40.352 1.00 16.29 C ATOM 904 CG HIS A 157 18.910 6.528 41.841 1.00 16.78 C ATOM 905 ND1 HIS A 157 19.861 7.156 42.618 1.00 19.45 N ATOM 906 CD2 HIS A 157 18.152 5.798 42.690 1.00 16.19 C ATOM 907 CE1 HIS A 157 19.688 6.818 43.883 1.00 17.53 C ATOM 908 NE2 HIS A 157 18.658 5.993 43.952 1.00 19.07 N ATOM 909 N THR A 158 17.788 7.632 37.709 1.00 19.42 N ATOM 910 CA THR A 158 17.673 7.456 36.266 1.00 20.21 C ATOM 911 C THR A 158 17.540 8.761 35.495 1.00 21.14 C ATOM 912 O THR A 158 17.950 8.835 34.338 1.00 21.94 O ATOM 913 CB THR A 158 16.483 6.576 35.920 1.00 19.99 C ATOM 914 OG1 THR A 158 15.272 7.261 36.257 1.00 22.82 O ATOM 915 CG2 THR A 158 16.559 5.257 36.693 1.00 21.24 C ATOM 916 N GLY A 159 16.979 9.777 36.153 1.00 17.40 N ATOM 917 CA GLY A 159 16.792 11.070 35.537 1.00 15.24 C ATOM 918 C GLY A 159 15.508 11.107 34.749 1.00 17.62 C ATOM 919 O GLY A 159 15.298 12.012 33.948 1.00 20.20 O ATOM 920 N GLU A 160 14.649 10.112 34.948 1.00 18.29 N ATOM 921 CA GLU A 160 13.381 10.062 34.240 1.00 18.60 C ATOM 922 C GLU A 160 12.491 11.230 34.690 1.00 19.76 C ATOM 923 O GLU A 160 12.338 11.471 35.887 1.00 19.12 O ATOM 924 CB GLU A 160 12.674 8.736 34.518 1.00 19.42 C ATOM 925 CG GLU A 160 11.355 8.596 33.763 1.00 25.00 C ATOM 926 CD GLU A 160 10.564 7.364 34.153 1.00 27.28 C ATOM 927 OE1 GLU A 160 11.142 6.460 34.774 1.00 32.59 O ATOM 928 OE2 GLU A 160 9.358 7.294 33.841 1.00 31.78 O ATOM 929 N LYS A 161 11.921 11.958 33.729 1.00 19.34 N ATOM 930 CA LYS A 161 11.045 13.103 34.026 1.00 21.18 C ATOM 931 C LYS A 161 9.830 13.082 33.101 1.00 19.69 C ATOM 932 O LYS A 161 9.775 13.820 32.115 1.00 20.41 O ATOM 933 CB LYS A 161 11.813 14.426 33.878 1.00 18.85 C ATOM 934 CG LYS A 161 12.840 14.654 34.960 1.00 19.12 C ATOM 935 CD LYS A 161 13.679 15.883 34.679 1.00 23.06 C ATOM 936 CE LYS A 161 14.764 16.050 35.742 1.00 24.86 C ATOM 937 NZ LYS A 161 15.508 17.347 35.634 1.00 26.43 N ATOM 938 N PRO A 162 8.788 12.321 33.482 1.00 18.93 N ATOM 939 CA PRO A 162 7.552 12.175 32.697 1.00 18.82 C ATOM 940 C PRO A 162 6.598 13.366 32.560 1.00 20.20 C ATOM 941 O PRO A 162 5.708 13.337 31.707 1.00 20.27 O ATOM 942 CB PRO A 162 6.829 11.004 33.397 1.00 18.56 C ATOM 943 CG PRO A 162 7.848 10.427 34.382 1.00 16.74 C ATOM 944 CD PRO A 162 8.685 11.602 34.764 1.00 15.71 C ATOM 945 N PHE A 163 6.784 14.419 33.352 1.00 19.23 N ATOM 946 CA PHE A 163 5.845 15.539 33.315 1.00 17.65 C ATOM 947 C PHE A 163 6.392 16.860 32.785 1.00 18.07 C ATOM 948 O PHE A 163 7.183 17.535 33.436 1.00 19.58 O ATOM 949 CB PHE A 163 5.221 15.683 34.704 1.00 19.46 C ATOM 950 CG PHE A 163 4.763 14.365 35.290 1.00 18.71 C ATOM 951 CD1 PHE A 163 5.650 13.558 35.993 1.00 19.76 C ATOM 952 CD2 PHE A 163 3.472 13.898 35.069 1.00 20.28 C ATOM 953 CE1 PHE A 163 5.259 12.298 36.461 1.00 21.07 C ATOM 954 CE2 PHE A 163 3.070 12.635 35.534 1.00 19.37 C ATOM 955 CZ PHE A 163 3.965 11.839 36.226 1.00 18.91 C ATOM 956 N ALA A 164 5.939 17.229 31.593 1.00 16.82 N ATOM 957 CA ALA A 164 6.386 18.452 30.936 1.00 16.13 C ATOM 958 C ALA A 164 5.382 19.596 31.030 1.00 14.25 C ATOM 959 O ALA A 164 4.170 19.401 30.878 1.00 15.33 O ATOM 960 CB ALA A 164 6.730 18.171 29.482 1.00 14.61 C ATOM 961 N CYS A 165 5.908 20.791 31.280 1.00 15.02 N ATOM 962 CA CYS A 165 5.093 21.991 31.395 1.00 14.67 C ATOM 963 C CYS A 165 4.453 22.313 30.039 1.00 14.31 C ATOM 964 O CYS A 165 5.115 22.264 29.005 1.00 14.22 O ATOM 965 CB CYS A 165 5.951 23.160 31.898 1.00 12.28 C ATOM 966 SG CYS A 165 5.167 24.797 31.812 1.00 16.65 S ATOM 967 N ASP A 166 3.152 22.581 30.055 1.00 12.21 N ATOM 968 CA ASP A 166 2.392 22.900 28.849 1.00 18.41 C ATOM 969 C ASP A 166 2.842 24.202 28.189 1.00 19.23 C ATOM 970 O ASP A 166 2.757 24.355 26.960 1.00 17.54 O ATOM 971 CB ASP A 166 0.893 22.999 29.172 1.00 16.64 C ATOM 972 CG ASP A 166 0.220 21.640 29.287 1.00 17.53 C ATOM 973 OD1 ASP A 166 -0.856 21.566 29.896 1.00 20.16 O ATOM 974 OD2 ASP A 166 0.736 20.646 28.750 1.00 19.35 O ATOM 975 N ILE A 167 3.328 25.127 29.007 1.00 18.61 N ATOM 976 CA ILE A 167 3.767 26.422 28.510 1.00 19.72 C ATOM 977 C ILE A 167 5.208 26.467 27.978 1.00 19.81 C ATOM 978 O ILE A 167 5.424 26.914 26.851 1.00 21.61 O ATOM 979 CB ILE A 167 3.486 27.518 29.571 1.00 16.63 C ATOM 980 CG1 ILE A 167 1.972 27.601 29.798 1.00 14.58 C ATOM 981 CG2 ILE A 167 4.076 28.858 29.147 1.00 16.07 C ATOM 982 CD1 ILE A 167 1.555 28.531 30.883 1.00 17.56 C ATOM 983 N CYS A 168 6.169 25.930 28.728 1.00 17.63 N ATOM 984 CA CYS A 168 7.574 25.966 28.304 1.00 16.54 C ATOM 985 C CYS A 168 8.223 24.607 28.018 1.00 16.62 C ATOM 986 O CYS A 168 9.373 24.541 27.568 1.00 16.71 O ATOM 987 CB CYS A 168 8.424 26.713 29.345 1.00 17.00 C ATOM 988 SG CYS A 168 8.691 25.796 30.893 1.00 16.14 S ATOM 989 N GLY A 169 7.516 23.527 28.325 1.00 15.44 N ATOM 990 CA GLY A 169 8.065 22.207 28.082 1.00 15.84 C ATOM 991 C GLY A 169 9.040 21.681 29.125 1.00 15.62 C ATOM 992 O GLY A 169 9.584 20.592 28.962 1.00 15.33 O ATOM 993 N ARG A 170 9.301 22.451 30.178 1.00 17.39 N ATOM 994 CA ARG A 170 10.212 21.990 31.230 1.00 17.06 C ATOM 995 C ARG A 170 9.653 20.709 31.865 1.00 14.51 C ATOM 996 O ARG A 170 8.478 20.644 32.228 1.00 16.29 O ATOM 997 CB ARG A 170 10.416 23.071 32.297 1.00 17.77 C ATOM 998 CG ARG A 170 11.524 22.727 33.255 1.00 18.11 C ATOM 999 CD ARG A 170 11.861 23.875 34.173 1.00 21.38 C ATOM 1000 NE ARG A 170 12.736 23.423 35.250 1.00 22.71 N ATOM 1001 CZ ARG A 170 13.501 24.215 35.991 1.00 21.51 C ATOM 1002 NH1 ARG A 170 13.510 25.522 35.778 1.00 19.75 N ATOM 1003 NH2 ARG A 170 14.273 23.686 36.933 1.00 21.23 N ATOM 1004 N LYS A 171 10.504 19.694 31.973 1.00 15.53 N ATOM 1005 CA LYS A 171 10.116 18.396 32.513 1.00 17.01 C ATOM 1006 C LYS A 171 10.456 18.206 33.990 1.00 16.98 C ATOM 1007 O LYS A 171 11.446 18.751 34.490 1.00 14.86 O ATOM 1008 CB LYS A 171 10.782 17.280 31.711 1.00 19.75 C ATOM 1009 CG LYS A 171 10.343 17.188 30.265 1.00 23.56 C ATOM 1010 CD LYS A 171 11.251 16.251 29.515 1.00 28.34 C ATOM 1011 CE LYS A 171 10.818 16.121 28.074 1.00 33.42 C ATOM 1012 NZ LYS A 171 11.926 15.568 27.244 1.00 38.77 N ATOM 1013 N PHE A 172 9.660 17.363 34.647 1.00 15.16 N ATOM 1014 CA PHE A 172 9.816 17.052 36.068 1.00 14.54 C ATOM 1015 C PHE A 172 9.532 15.570 36.359 1.00 15.58 C ATOM 1016 O PHE A 172 8.781 14.913 35.639 1.00 13.57 O ATOM 1017 CB PHE A 172 8.860 17.910 36.892 1.00 12.20 C ATOM 1018 CG PHE A 172 9.069 19.388 36.718 1.00 13.09 C ATOM 1019 CD1 PHE A 172 8.335 20.103 35.773 1.00 13.33 C ATOM 1020 CD2 PHE A 172 10.009 20.067 37.493 1.00 14.72 C ATOM 1021 CE1 PHE A 172 8.540 21.471 35.605 1.00 13.26 C ATOM 1022 CE2 PHE A 172 10.220 21.433 37.333 1.00 14.01 C ATOM 1023 CZ PHE A 172 9.486 22.136 36.388 1.00 11.71 C ATOM 1024 N ALA A 173 10.140 15.059 37.425 1.00 16.02 N ATOM 1025 CA ALA A 173 9.955 13.676 37.847 1.00 16.45 C ATOM 1026 C ALA A 173 8.536 13.415 38.363 1.00 16.12 C ATOM 1027 O ALA A 173 7.961 12.365 38.098 1.00 18.06 O ATOM 1028 CB ALA A 173 10.989 13.317 38.924 1.00 16.91 C ATOM 1029 N ARG A 174 7.952 14.385 39.062 1.00 14.56 N ATOM 1030 CA ARG A 174 6.614 14.224 39.616 1.00 15.27 C ATOM 1031 C ARG A 174 5.615 15.243 39.101 1.00 18.20 C ATOM 1032 O ARG A 174 5.966 16.382 38.761 1.00 17.91 O ATOM 1033 CB ARG A 174 6.643 14.297 41.149 1.00 16.45 C ATOM 1034 CG ARG A 174 7.701 13.433 41.831 1.00 18.08 C ATOM 1035 CD ARG A 174 7.396 13.201 43.327 1.00 18.29 C ATOM 1036 NE ARG A 174 7.122 14.435 44.072 1.00 18.48 N ATOM 1037 CZ ARG A 174 7.786 14.832 45.152 1.00 17.32 C ATOM 1038 NH1 ARG A 174 8.788 14.099 45.628 1.00 16.51 N ATOM 1039 NH2 ARG A 174 7.416 15.946 45.784 1.00 16.03 N ATOM 1040 N SER A 175 4.352 14.843 39.105 1.00 16.79 N ATOM 1041 CA SER A 175 3.275 15.697 38.641 1.00 18.96 C ATOM 1042 C SER A 175 3.098 16.910 39.541 1.00 18.34 C ATOM 1043 O SER A 175 2.676 17.964 39.069 1.00 18.20 O ATOM 1044 CB SER A 175 1.965 14.922 38.576 1.00 18.03 C ATOM 1045 OG SER A 175 1.536 14.577 39.881 1.00 21.59 O ATOM 1046 N ASP A 176 3.387 16.767 40.836 1.00 18.98 N ATOM 1047 CA ASP A 176 3.236 17.902 41.761 1.00 16.70 C ATOM 1048 C ASP A 176 4.324 18.964 41.547 1.00 14.64 C ATOM 1049 O ASP A 176 4.081 20.152 41.770 1.00 15.71 O ATOM 1050 CB ASP A 176 3.121 17.449 43.233 1.00 13.11 C ATOM 1051 CG ASP A 176 4.369 16.786 43.740 1.00 13.65 C ATOM 1052 OD1 ASP A 176 5.035 17.372 44.612 1.00 16.56 O ATOM 1053 OD2 ASP A 176 4.694 15.677 43.268 1.00 15.69 O ATOM 1054 N GLU A 177 5.505 18.545 41.095 1.00 12.47 N ATOM 1055 CA GLU A 177 6.582 19.485 40.778 1.00 16.24 C ATOM 1056 C GLU A 177 6.147 20.320 39.567 1.00 13.28 C ATOM 1057 O GLU A 177 6.327 21.529 39.554 1.00 13.07 O ATOM 1058 CB GLU A 177 7.869 18.747 40.426 1.00 17.74 C ATOM 1059 CG GLU A 177 8.561 18.123 41.598 1.00 20.62 C ATOM 1060 CD GLU A 177 9.759 17.320 41.184 1.00 22.80 C ATOM 1061 OE1 GLU A 177 9.611 16.390 40.368 1.00 25.57 O ATOM 1062 OE2 GLU A 177 10.861 17.606 41.677 1.00 27.08 O ATOM 1063 N ARG A 178 5.600 19.652 38.549 1.00 15.51 N ATOM 1064 CA ARG A 178 5.130 20.340 37.345 1.00 16.16 C ATOM 1065 C ARG A 178 3.999 21.300 37.694 1.00 17.01 C ATOM 1066 O ARG A 178 4.007 22.428 37.217 1.00 18.11 O ATOM 1067 CB ARG A 178 4.674 19.350 36.258 1.00 18.17 C ATOM 1068 CG ARG A 178 4.504 19.988 34.864 1.00 21.20 C ATOM 1069 CD ARG A 178 3.431 19.283 34.020 1.00 24.94 C ATOM 1070 NE ARG A 178 2.269 19.154 34.834 1.00 29.68 N ATOM 1071 CZ ARG A 178 1.538 18.088 35.063 1.00 31.07 C ATOM 1072 NH1 ARG A 178 1.818 16.969 34.330 1.00 31.24 N ATOM 1073 NH2 ARG A 178 0.618 18.070 35.978 1.00 28.55 N ATOM 1074 N LYS A 179 3.071 20.884 38.564 1.00 16.57 N ATOM 1075 CA LYS A 179 1.960 21.738 38.987 1.00 16.12 C ATOM 1076 C LYS A 179 2.455 23.008 39.674 1.00 16.94 C ATOM 1077 O LYS A 179 1.950 24.096 39.403 1.00 20.65 O ATOM 1078 CB LYS A 179 1.004 21.016 39.934 1.00 18.58 C ATOM 1079 CG LYS A 179 -0.082 21.943 40.470 1.00 19.44 C ATOM 1080 CD LYS A 179 -0.958 21.294 41.505 1.00 21.16 C ATOM 1081 CE LYS A 179 -1.892 20.296 40.879 1.00 22.84 C ATOM 1082 NZ LYS A 179 -2.631 19.579 41.953 1.00 27.11 N ATOM 1083 N ARG A 180 3.412 22.854 40.586 1.00 15.46 N ATOM 1084 CA ARG A 180 4.004 23.986 41.293 1.00 13.33 C ATOM 1085 C ARG A 180 4.696 24.930 40.296 1.00 14.99 C ATOM 1086 O ARG A 180 4.684 26.137 40.473 1.00 14.33 O ATOM 1087 CB ARG A 180 5.018 23.475 42.309 1.00 12.89 C ATOM 1088 CG ARG A 180 5.567 24.546 43.243 1.00 11.65 C ATOM 1089 CD ARG A 180 6.514 23.966 44.279 1.00 8.95 C ATOM 1090 NE ARG A 180 7.692 23.359 43.676 1.00 8.55 N ATOM 1091 CZ ARG A 180 8.718 22.883 44.363 1.00 9.46 C ATOM 1092 NH1 ARG A 180 8.716 22.933 45.687 1.00 13.43 N ATOM 1093 NH2 ARG A 180 9.756 22.363 43.733 1.00 8.24 N ATOM 1094 N HIS A 181 5.269 24.360 39.237 1.00 15.68 N ATOM 1095 CA HIS A 181 5.969 25.127 38.205 1.00 15.55 C ATOM 1096 C HIS A 181 5.101 25.944 37.256 1.00 17.78 C ATOM 1097 O HIS A 181 5.376 27.117 37.024 1.00 20.79 O ATOM 1098 CB HIS A 181 6.848 24.191 37.362 1.00 15.04 C ATOM 1099 CG HIS A 181 7.412 24.832 36.126 1.00 13.36 C ATOM 1100 ND1 HIS A 181 8.608 25.513 36.120 1.00 11.41 N ATOM 1101 CD2 HIS A 181 6.930 24.913 34.865 1.00 12.48 C ATOM 1102 CE1 HIS A 181 8.838 25.993 34.913 1.00 13.96 C ATOM 1103 NE2 HIS A 181 7.835 25.642 34.131 1.00 14.42 N ATOM 1104 N THR A 182 4.107 25.300 36.650 1.00 18.44 N ATOM 1105 CA THR A 182 3.242 25.943 35.662 1.00 19.72 C ATOM 1106 C THR A 182 2.709 27.279 36.135 1.00 22.68 C ATOM 1107 O THR A 182 2.613 28.219 35.355 1.00 20.93 O ATOM 1108 CB THR A 182 2.050 25.049 35.268 1.00 20.97 C ATOM 1109 OG1 THR A 182 2.521 23.730 34.965 1.00 20.91 O ATOM 1110 CG2 THR A 182 1.347 25.613 34.037 1.00 20.25 C ATOM 1111 N LYS A 183 2.380 27.347 37.421 1.00 23.71 N ATOM 1112 CA LYS A 183 1.861 28.552 38.051 1.00 26.33 C ATOM 1113 C LYS A 183 2.784 29.766 37.957 1.00 25.71 C ATOM 1114 O LYS A 183 2.316 30.893 38.074 1.00 28.52 O ATOM 1115 CB LYS A 183 1.530 28.252 39.506 1.00 28.22 C ATOM 1116 CG LYS A 183 0.468 27.184 39.608 1.00 32.71 C ATOM 1117 CD LYS A 183 0.369 26.581 40.985 1.00 35.29 C ATOM 1118 CE LYS A 183 -0.783 25.595 40.999 1.00 36.38 C ATOM 1119 NZ LYS A 183 -0.968 24.938 42.319 1.00 36.65 N ATOM 1120 N ILE A 184 4.077 29.544 37.721 1.00 23.82 N ATOM 1121 CA ILE A 184 5.031 30.646 37.601 1.00 22.06 C ATOM 1122 C ILE A 184 4.899 31.443 36.298 1.00 22.58 C ATOM 1123 O ILE A 184 5.508 32.497 36.163 1.00 24.15 O ATOM 1124 CB ILE A 184 6.495 30.179 37.734 1.00 20.62 C ATOM 1125 CG1 ILE A 184 6.976 29.505 36.440 1.00 20.59 C ATOM 1126 CG2 ILE A 184 6.653 29.273 38.947 1.00 20.65 C ATOM 1127 CD1 ILE A 184 8.485 29.296 36.376 1.00 20.27 C ATOM 1128 N HIS A 185 4.122 30.936 35.341 1.00 22.21 N ATOM 1129 CA HIS A 185 3.932 31.616 34.058 1.00 24.89 C ATOM 1130 C HIS A 185 2.835 32.684 34.117 1.00 27.31 C ATOM 1131 O HIS A 185 2.505 33.305 33.107 1.00 28.41 O ATOM 1132 CB HIS A 185 3.648 30.605 32.938 1.00 20.20 C ATOM 1133 CG HIS A 185 4.768 29.636 32.701 1.00 18.39 C ATOM 1134 ND1 HIS A 185 6.059 30.035 32.419 1.00 15.89 N ATOM 1135 CD2 HIS A 185 4.793 28.281 32.730 1.00 15.75 C ATOM 1136 CE1 HIS A 185 6.829 28.969 32.291 1.00 17.13 C ATOM 1137 NE2 HIS A 185 6.084 27.893 32.474 1.00 14.24 N ATOM 1138 N LEU A 186 2.238 32.835 35.296 1.00 33.12 N ATOM 1139 CA LEU A 186 1.212 33.846 35.550 1.00 38.10 C ATOM 1140 C LEU A 186 1.971 35.107 35.993 1.00 44.45 C ATOM 1141 O LEU A 186 1.580 36.234 35.670 1.00 44.58 O ATOM 1142 CB LEU A 186 0.296 33.395 36.688 1.00 32.97 C ATOM 1143 CG LEU A 186 -0.562 32.143 36.533 1.00 29.89 C ATOM 1144 CD1 LEU A 186 -1.356 31.982 37.799 1.00 30.76 C ATOM 1145 CD2 LEU A 186 -1.500 32.254 35.352 1.00 28.03 C ATOM 1146 N ARG A 187 3.029 34.871 36.780 1.00 52.20 N ATOM 1147 CA ARG A 187 3.941 35.888 37.325 1.00 57.56 C ATOM 1148 C ARG A 187 5.021 35.213 38.183 1.00 56.72 C ATOM 1149 O ARG A 187 6.038 34.728 37.690 1.00 55.68 O ATOM 1150 CB ARG A 187 3.207 36.919 38.199 1.00 62.15 C ATOM 1151 CG ARG A 187 4.126 38.059 38.663 1.00 66.03 C ATOM 1152 CD ARG A 187 4.098 38.284 40.177 1.00 69.81 C ATOM 1153 NE ARG A 187 4.563 37.143 40.982 1.00 73.00 N ATOM 1154 CZ ARG A 187 5.827 36.719 41.073 1.00 74.66 C ATOM 1155 NH1 ARG A 187 6.802 37.321 40.398 1.00 75.14 N ATOM 1156 NH2 ARG A 187 6.129 35.716 41.895 1.00 74.45 N TER 1157 ARG A 187 HETATM 1158 ZN ZN A 201 -1.000 6.900 65.232 1.00 39.76 ZN HETATM 1159 ZN ZN A 202 17.795 5.083 45.626 1.00 23.41 ZN HETATM 1160 ZN ZN A 203 6.953 26.082 32.231 1.00 19.19 ZN HETATM 1161 O HOH B 310 -11.800 -2.286 38.321 1.00 13.88 O HETATM 1162 O HOH B 316 10.657 22.356 40.839 1.00 22.99 O HETATM 1163 O HOH B 322 6.786 19.756 44.246 1.00 13.58 O HETATM 1164 O HOH B 323 -6.945 2.778 39.774 1.00 36.51 O HETATM 1165 O HOH B 333 12.178 12.288 56.423 1.00 39.04 O HETATM 1166 O HOH B 335 9.442 8.771 51.051 1.00 13.61 O HETATM 1167 O HOH B 336 14.442 16.157 49.767 1.00 34.48 O HETATM 1168 O HOH B 337 10.070 11.652 45.199 1.00 15.39 O HETATM 1169 O HOH B 339 -12.941 4.834 35.721 1.00 36.59 O HETATM 1170 O HOH B 340 -6.320 -0.307 41.146 1.00 29.08 O HETATM 1171 O HOH B 343 -0.140 14.689 54.797 1.00 26.13 O HETATM 1172 O HOH B 347 -13.533 -2.403 40.508 1.00 15.82 O HETATM 1173 O HOH B 348 7.706 27.656 42.141 1.00 31.62 O HETATM 1174 O HOH B 350 4.813 12.627 45.738 1.00 23.89 O HETATM 1175 O HOH B 355 -7.805 12.187 47.624 1.00 33.66 O HETATM 1176 O HOH B 366 -9.240 1.129 36.072 1.00 19.83 O HETATM 1177 O HOH B 367 8.833 7.117 56.353 1.00 24.59 O HETATM 1178 O HOH B 368 16.803 11.701 47.359 1.00 29.29 O HETATM 1179 O HOH B 371 -11.409 14.587 54.423 1.00 33.17 O HETATM 1180 O HOH B 375 -12.627 1.367 46.701 1.00 38.15 O HETATM 1181 O HOH B 380 4.654 14.171 54.871 1.00 32.66 O HETATM 1182 O HOH B 382 5.137 5.363 57.483 1.00 25.52 O HETATM 1183 O HOH B 387 8.198 27.093 45.367 1.00 28.85 O HETATM 1184 O HOH B 388 8.239 30.268 42.597 1.00 29.54 O HETATM 1185 O HOH B 396 -8.288 8.132 43.977 1.00 29.13 O HETATM 1186 O HOH B 402 16.097 20.665 36.494 1.00 50.47 O HETATM 1187 O HOH B 410 -7.227 8.461 54.515 1.00 28.33 O HETATM 1188 O HOH B 416 14.616 15.043 39.166 1.00 45.71 O HETATM 1189 O HOH B 419 -8.199 5.132 40.931 1.00 31.52 O HETATM 1190 O HOH B 420 -7.263 12.033 43.719 1.00 57.56 O HETATM 1191 O HOH B 421 11.017 8.419 57.563 1.00 29.69 O HETATM 1192 O HOH B 428 -5.187 14.414 51.800 1.00 40.77 O HETATM 1193 O HOH B 432 -9.632 9.311 56.495 1.00 54.62 O HETATM 1194 O HOH B 435 18.266 13.699 48.821 1.00 56.77 O HETATM 1195 O HOH C 314 -1.111 3.921 49.597 1.00 22.78 O HETATM 1196 O HOH C 328 5.040 -2.617 45.592 1.00 29.28 O HETATM 1197 O HOH C 334 -6.676 14.127 46.132 1.00 27.08 O HETATM 1198 O HOH C 341 1.545 -0.727 46.890 1.00 24.57 O HETATM 1199 O HOH C 342 10.790 18.031 54.536 1.00 26.87 O HETATM 1200 O HOH C 345 -0.984 21.061 46.187 1.00 21.50 O HETATM 1201 O HOH C 346 0.777 17.393 53.324 1.00 23.36 O HETATM 1202 O HOH C 351 -3.657 16.242 50.598 1.00 25.77 O HETATM 1203 O HOH C 352 4.634 20.740 46.058 1.00 26.30 O HETATM 1204 O HOH C 353 1.921 12.010 41.787 1.00 24.29 O HETATM 1205 O HOH C 356 0.738 19.247 44.902 1.00 27.21 O HETATM 1206 O HOH C 358 6.731 22.856 47.712 1.00 21.02 O HETATM 1207 O HOH C 360 -3.689 4.840 41.178 1.00 30.36 O HETATM 1208 O HOH C 362 -3.388 0.295 41.278 1.00 36.28 O HETATM 1209 O HOH C 369 -5.705 6.501 41.405 1.00 33.90 O HETATM 1210 O HOH C 376 2.777 1.148 37.205 1.00 34.39 O HETATM 1211 O HOH C 379 12.584 16.416 53.018 1.00 36.99 O HETATM 1212 O HOH C 381 4.358 16.942 55.340 1.00 45.26 O HETATM 1213 O HOH C 384 -1.710 15.278 37.245 1.00 42.40 O HETATM 1214 O HOH C 389 7.838 25.021 50.104 1.00 57.90 O HETATM 1215 O HOH C 394 -4.526 21.238 43.511 1.00 28.58 O HETATM 1216 O HOH C 395 10.091 24.949 55.906 1.00 47.46 O HETATM 1217 O HOH C 397 -2.443 17.259 38.996 1.00 34.55 O HETATM 1218 O HOH C 398 4.298 25.577 53.327 1.00 59.78 O HETATM 1219 O HOH C 399 -5.300 19.614 39.073 1.00 46.10 O HETATM 1220 O HOH C 400 -6.068 9.538 42.535 1.00 31.72 O HETATM 1221 O HOH C 404 5.832 0.424 41.266 1.00 29.32 O HETATM 1222 O HOH C 407 -4.415 -6.545 47.145 1.00 50.83 O HETATM 1223 O HOH C 408 -2.031 1.385 50.877 1.00 35.34 O HETATM 1224 O HOH C 411 3.947 -2.572 43.076 1.00 25.13 O HETATM 1225 O HOH C 425 -3.934 -1.279 54.005 1.00 38.25 O HETATM 1226 O HOH C 429 3.085 -4.498 49.958 1.00 48.25 O HETATM 1227 O HOH A 301 10.821 5.227 38.829 1.00 17.78 O HETATM 1228 O HOH A 302 4.374 3.732 42.068 1.00 18.90 O HETATM 1229 O HOH A 303 6.847 32.857 32.485 1.00 14.98 O HETATM 1230 O HOH A 304 8.826 5.370 36.747 1.00 15.78 O HETATM 1231 O HOH A 305 10.403 9.083 48.391 1.00 14.65 O HETATM 1232 O HOH A 306 3.124 19.514 28.385 1.00 19.49 O HETATM 1233 O HOH A 307 4.391 15.340 29.965 1.00 21.27 O HETATM 1234 O HOH A 308 11.145 12.463 42.629 1.00 17.61 O HETATM 1235 O HOH A 309 12.098 16.794 38.788 1.00 14.35 O HETATM 1236 O HOH A 311 14.184 12.717 37.343 1.00 23.48 O HETATM 1237 O HOH A 312 16.637 14.409 33.278 1.00 31.58 O HETATM 1238 O HOH A 313 8.100 22.903 40.652 1.00 18.68 O HETATM 1239 O HOH A 315 9.891 6.354 54.121 1.00 19.60 O HETATM 1240 O HOH A 317 7.224 0.866 43.815 1.00 18.44 O HETATM 1241 O HOH A 318 12.242 14.977 42.184 1.00 17.66 O HETATM 1242 O HOH A 319 13.489 19.868 30.646 1.00 28.60 O HETATM 1243 O HOH A 320 13.539 6.695 53.512 1.00 22.34 O HETATM 1244 O HOH A 321 5.880 10.048 45.385 1.00 20.50 O HETATM 1245 O HOH A 324 4.340 12.127 40.044 1.00 18.99 O HETATM 1246 O HOH A 325 2.864 2.153 43.891 1.00 13.40 O HETATM 1247 O HOH A 326 -0.136 16.546 40.917 1.00 27.79 O HETATM 1248 O HOH A 327 16.098 22.249 33.515 1.00 58.75 O HETATM 1249 O HOH A 329 3.074 13.477 43.862 1.00 15.07 O HETATM 1250 O HOH A 330 7.561 6.607 51.505 1.00 13.97 O HETATM 1251 O HOH A 331 3.646 27.948 42.248 1.00 29.63 O HETATM 1252 O HOH A 332 1.842 22.458 32.626 1.00 12.53 O HETATM 1253 O HOH A 338 7.151 28.601 25.201 1.00 27.78 O HETATM 1254 O HOH A 344 -0.836 17.597 43.255 1.00 23.84 O HETATM 1255 O HOH A 349 1.721 7.181 54.625 1.00 22.07 O HETATM 1256 O HOH A 354 2.705 1.600 49.998 1.00 29.47 O HETATM 1257 O HOH A 357 3.651 -1.815 60.202 1.00 37.09 O HETATM 1258 O HOH A 359 12.134 20.251 40.944 1.00 24.53 O HETATM 1259 O HOH A 361 2.353 21.172 43.596 1.00 24.04 O HETATM 1260 O HOH A 363 17.239 3.749 54.580 1.00 31.39 O HETATM 1261 O HOH A 364 21.964 9.603 42.032 1.00 26.54 O HETATM 1262 O HOH A 365 1.171 3.395 48.122 1.00 29.32 O HETATM 1263 O HOH A 370 9.155 18.935 26.815 1.00 27.34 O HETATM 1264 O HOH A 372 13.346 18.834 36.968 1.00 26.01 O HETATM 1265 O HOH A 373 8.982 2.051 36.537 1.00 43.65 O HETATM 1266 O HOH A 374 -2.969 6.597 55.802 1.00 26.43 O HETATM 1267 O HOH A 377 2.624 9.385 45.245 1.00 22.22 O HETATM 1268 O HOH A 378 2.265 8.878 42.401 1.00 23.60 O HETATM 1269 O HOH A 383 4.491 9.375 39.018 1.00 32.32 O HETATM 1270 O HOH A 385 13.142 5.311 36.457 1.00 24.84 O HETATM 1271 O HOH A 386 1.284 23.763 43.487 1.00 24.16 O HETATM 1272 O HOH A 390 13.874 20.362 34.532 1.00 36.85 O HETATM 1273 O HOH A 391 11.255 27.491 32.001 1.00 46.84 O HETATM 1274 O HOH A 392 11.679 27.097 34.645 1.00 29.06 O HETATM 1275 O HOH A 393 3.862 33.315 39.947 1.00 37.25 O HETATM 1276 O HOH A 401 6.092 14.423 27.723 1.00 32.41 O HETATM 1277 O HOH A 403 17.296 16.833 38.081 1.00 60.29 O HETATM 1278 O HOH A 405 -6.567 10.936 59.263 1.00 34.70 O HETATM 1279 O HOH A 406 11.856 -1.936 57.410 1.00 33.34 O HETATM 1280 O HOH A 409 -12.043 10.882 55.424 1.00 39.47 O HETATM 1281 O HOH A 412 9.529 4.959 59.002 1.00 46.76 O HETATM 1282 O HOH A 413 7.143 3.430 57.966 1.00 48.11 O HETATM 1283 O HOH A 414 18.094 9.547 49.114 1.00 25.51 O HETATM 1284 O HOH A 415 20.175 7.883 47.755 1.00 41.91 O HETATM 1285 O HOH A 417 17.376 25.291 37.673 1.00 36.02 O HETATM 1286 O HOH A 418 15.231 27.084 37.630 1.00 35.10 O HETATM 1287 O HOH A 422 14.247 -0.303 43.011 1.00 24.49 O HETATM 1288 O HOH A 423 15.733 12.485 54.124 1.00 32.12 O HETATM 1289 O HOH A 424 9.358 1.723 41.434 1.00 46.05 O HETATM 1290 O HOH A 426 -9.249 6.252 55.129 1.00 34.92 O HETATM 1291 O HOH A 427 2.901 2.662 54.165 1.00 34.70 O HETATM 1292 O HOH A 430 11.754 -1.348 42.700 1.00 29.37 O HETATM 1293 O HOH A 431 9.598 28.981 26.913 1.00 33.12 O HETATM 1294 O HOH A 433 2.994 4.743 56.031 1.00 36.17 O HETATM 1295 O HOH A 434 17.193 12.687 51.723 1.00 43.97 O HETATM 1296 O HOH A 436 2.831 38.671 35.290 1.00 46.38 O CONECT 488 1158 CONECT 523 1158 CONECT 637 1158 CONECT 674 1158 CONECT 736 1159 CONECT 761 1159 CONECT 872 1159 CONECT 908 1159 CONECT 966 1160 CONECT 988 1160 CONECT 1103 1160 CONECT 1137 1160 CONECT 1158 488 523 637 674 CONECT 1159 736 761 872 908 CONECT 1160 966 988 1103 1137 MASTER 339 0 3 3 6 0 3 6 1293 3 15 9 END
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Related entries of code: 1jk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1p47
RCSB PDB
PDBbind
22aa, >1P47_2|Chain... *
4x9j
RCSB PDB
PDBbind
11aa, >4X9J_3|Chain... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1jk1
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Zif268 D20A Mutant
Ligand Name
GCG DNA site
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=26pM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
Journal of molecular biology. (2001) 313, pp. 309-15
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):
P08046
Entrez Gene ID
NCBI Entrez Gene ID:
13653
ASD
Information of known allosteric effects of PDB entries
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