Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION ACTIVATOR/DNA 24-OCT-05 2ERG TITLE CRYSTAL STRUCTURE OF LEU3 DNA-BINDING DOMAIN WITH A SINGLE TITLE 2 H50C MUTATION COMPLEXED WITH A 15MER DNA DUPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'- COMPND 3 D(*TP*TP*GP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*CP*A)-3'; COMPND 4 CHAIN: C, D; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: REGULATORY PROTEIN LEU3; COMPND 8 CHAIN: A, B; COMPND 9 FRAGMENT: RESIDUES 32-103; COMPND 10 ENGINEERED: YES; COMPND 11 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 5 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 6 ORGANISM_TAXID: 4932; SOURCE 7 GENE: LEU3; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 10 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PT7-7 KEYWDS ZN(2)CYS(6) BINUCLEAR CLUSTER MOTIF, TRANSCRIPTION KEYWDS 2 ACTIVATOR/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.X.FITZGERALD,R.MARMORSTEIN REVDAT 3 24-FEB-09 2ERG 1 VERSN REVDAT 2 18-APR-06 2ERG 1 JRNL REVDAT 1 04-APR-06 2ERG 0 JRNL AUTH M.X.FITZGERALD,J.R.ROJAS,J.M.KIM,G.B.KOHLHAW, JRNL AUTH 2 R.MARMORSTEIN JRNL TITL STRUCTURE OF A LEU3-DNA COMPLEX: RECOGNITION OF JRNL TITL 2 EVERTED CGG HALF-SITES BY A ZN2CYS6 BINUCLEAR JRNL TITL 3 CLUSTER PROTEIN. JRNL REF STRUCTURE V. 14 725 2006 JRNL REFN ISSN 0969-2126 JRNL PMID 16615914 JRNL DOI 10.1016/J.STR.2005.11.025 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.09 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 3218987.680 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 5393 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) : 0.273 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.500 REMARK 3 FREE R VALUE TEST SET COUNT : 565 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.012 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) : 3.15 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.35 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 810 REMARK 3 BIN R VALUE (WORKING SET) : 0.3120 REMARK 3 BIN FREE R VALUE : 0.3190 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 93 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.033 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 918 REMARK 3 NUCLEIC ACID ATOMS : 608 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 13 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 80.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 24.19000 REMARK 3 B22 (A**2) : 24.19000 REMARK 3 B33 (A**2) : -48.37000 REMARK 3 B12 (A**2) : 18.44000 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) : 0.42 REMARK 3 ESD FROM SIGMAA (A) : 0.55 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) : 0.47 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.61 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) : 21.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.06 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : GROUP REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.41 REMARK 3 BSOL : 300.00 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 2ERG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-NOV-05. REMARK 100 THE RCSB ID CODE IS RCSB035004. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-JUN-00 REMARK 200 TEMPERATURE (KELVIN) : 93 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : CHESS REMARK 200 BEAMLINE : A1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9213 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5419 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.150 REMARK 200 RESOLUTION RANGE LOW (A) : 42.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.10600 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 3.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.15300 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2ERE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM MES, 3% V/V ISOPROPANOL, 20 REMARK 280 MM MG(OAC)2, PH 6.0, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 62 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z+2/3 REMARK 290 6555 X-Y,X,Z+1/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 81.83000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 40.91500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 81.83000 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 40.91500 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: ASYMMETRIC UNIT CONTAINS ONE BIOLOGICAL UNIT OF A LEU3 REMARK 300 HOMODIMER BOUND TO DNA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 LYS A 32 REMARK 465 ARG A 33 REMARK 465 LYS A 34 REMARK 465 THR A 100 REMARK 465 SER A 101 REMARK 465 ASP A 102 REMARK 465 GLU A 103 REMARK 465 LYS B 32 REMARK 465 ARG B 33 REMARK 465 LYS B 34 REMARK 465 THR B 100 REMARK 465 SER B 101 REMARK 465 ASP B 102 REMARK 465 GLU B 103 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 46 CG CD CE NZ REMARK 470 ASP A 48 CG OD1 OD2 REMARK 470 CYS A 50 SG REMARK 470 ARG A 52 CG CD NE CZ NH1 NH2 REMARK 470 PRO A 54 CB CG CD REMARK 470 GLU A 55 CG CD OE1 OE2 REMARK 470 LYS A 59 CG CD CE NZ REMARK 470 LYS A 62 CG CD CE NZ REMARK 470 LYS A 63 CG CD CE NZ REMARK 470 ILE A 68 CG1 CG2 CD1 REMARK 470 LYS A 70 CG CD CE NZ REMARK 470 ARG A 71 CG CD NE CZ NH1 NH2 REMARK 470 LYS A 90 CG CD CE NZ REMARK 470 GLU A 91 CG CD OE1 OE2 REMARK 470 LEU A 92 CG CD1 CD2 REMARK 470 ARG A 94 CG CD NE CZ NH1 NH2 REMARK 470 THR A 95 OG1 CG2 REMARK 470 LEU A 96 CG CD1 CD2 REMARK 470 ASN A 98 CG OD1 ND2 REMARK 470 LEU A 99 CG CD1 CD2 REMARK 470 LYS B 46 CG CD CE NZ REMARK 470 ASP B 48 CG OD1 OD2 REMARK 470 CYS B 50 SG REMARK 470 ARG B 52 CG CD NE CZ NH1 NH2 REMARK 470 PRO B 54 CB CG CD REMARK 470 GLU B 55 CG CD OE1 OE2 REMARK 470 LYS B 59 CG CD CE NZ REMARK 470 LYS B 62 CG CD CE NZ REMARK 470 LYS B 63 CG CD CE NZ REMARK 470 ILE B 68 CG1 CG2 CD1 REMARK 470 LYS B 70 CG CD CE NZ REMARK 470 ARG B 71 CG CD NE CZ NH1 NH2 REMARK 470 LYS B 90 CG CD CE NZ REMARK 470 GLU B 91 CG CD OE1 OE2 REMARK 470 LEU B 92 CG CD1 CD2 REMARK 470 ARG B 94 CG CD NE CZ NH1 NH2 REMARK 470 THR B 95 OG1 CG2 REMARK 470 LEU B 96 CG CD1 CD2 REMARK 470 ASN B 98 CG OD1 ND2 REMARK 470 LEU B 99 CG CD1 CD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 48 67.72 -118.30 REMARK 500 ALA A 49 -84.11 -77.28 REMARK 500 CYS A 50 -64.88 -25.29 REMARK 500 GLU A 51 -96.16 -37.81 REMARK 500 ARG A 52 76.85 -54.07 REMARK 500 ALA A 53 -146.02 0.20 REMARK 500 PRO A 56 153.22 -40.92 REMARK 500 ALA A 61 -72.66 -83.38 REMARK 500 ASN A 64 76.74 55.45 REMARK 500 LYS A 70 78.91 -102.40 REMARK 500 ARG A 71 -23.69 -31.44 REMARK 500 LYS A 78 -70.52 -26.83 REMARK 500 ARG A 79 -85.14 -41.20 REMARK 500 ARG A 81 -76.20 -54.17 REMARK 500 PHE A 89 -35.11 -38.11 REMARK 500 LYS A 90 -78.57 -57.73 REMARK 500 GLU A 91 -63.75 -28.35 REMARK 500 ASN A 98 -82.64 -127.54 REMARK 500 ASP B 48 67.42 -118.63 REMARK 500 ALA B 49 -83.87 -77.12 REMARK 500 CYS B 50 -64.78 -25.57 REMARK 500 GLU B 51 -96.29 -37.82 REMARK 500 ARG B 52 76.62 -53.87 REMARK 500 ALA B 53 -146.11 0.22 REMARK 500 PRO B 56 153.03 -40.83 REMARK 500 ALA B 61 -72.84 -83.12 REMARK 500 ASN B 64 76.67 55.19 REMARK 500 LYS B 70 79.26 -102.16 REMARK 500 ARG B 71 -23.86 -31.79 REMARK 500 LYS B 78 -70.57 -27.21 REMARK 500 ARG B 79 -85.15 -41.08 REMARK 500 ARG B 81 -75.82 -54.34 REMARK 500 PHE B 89 -34.99 -37.89 REMARK 500 LYS B 90 -78.50 -57.85 REMARK 500 GLU B 91 -63.52 -28.53 REMARK 500 ASN B 98 -83.00 -127.47 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 DG C 7 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 104 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 60 SG REMARK 620 2 CYS A 67 SG 101.5 REMARK 620 3 CYS A 37 SG 97.3 126.7 REMARK 620 4 CYS A 57 SG 82.2 136.9 94.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 105 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 37 SG REMARK 620 2 CYS A 40 SG 96.5 REMARK 620 3 CYS A 47 SG 94.5 117.4 REMARK 620 4 CYS A 57 SG 89.0 103.2 138.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 104 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 57 SG REMARK 620 2 CYS B 67 SG 137.7 REMARK 620 3 CYS B 60 SG 82.0 101.1 REMARK 620 4 CYS B 37 SG 94.0 127.0 96.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 105 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 37 SG REMARK 620 2 CYS B 40 SG 95.9 REMARK 620 3 CYS B 57 SG 89.3 103.5 REMARK 620 4 CYS B 47 SG 93.8 117.6 138.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 104 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 105 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 104 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 105 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2ERE RELATED DB: PDB REMARK 900 RELATED ID: 2ER8 RELATED DB: PDB DBREF 2ERG A 32 103 UNP P08638 LEUR_YEAST 32 103 DBREF 2ERG B 32 103 UNP P08638 LEUR_YEAST 32 103 DBREF 2ERG C 1 15 PDB 2ERG 2ERG 1 15 DBREF 2ERG D 16 30 PDB 2ERG 2ERG 16 30 SEQADV 2ERG CYS A 50 UNP P08638 HIS 50 ENGINEERED SEQADV 2ERG CYS B 50 UNP P08638 HIS 50 ENGINEERED SEQRES 1 C 15 DT DT DG DC DC DG DG DT DA DC DC DG DG SEQRES 2 C 15 DC DA SEQRES 1 D 15 DT DT DG DC DC DG DG DT DA DC DC DG DG SEQRES 2 D 15 DC DA SEQRES 1 A 72 LYS ARG LYS PHE ALA CYS VAL GLU CYS ARG GLN GLN LYS SEQRES 2 A 72 SER LYS CYS ASP ALA CYS GLU ARG ALA PRO GLU PRO CYS SEQRES 3 A 72 THR LYS CYS ALA LYS LYS ASN VAL PRO CYS ILE LEU LYS SEQRES 4 A 72 ARG ASP PHE ARG ARG THR TYR LYS ARG ALA ARG ASN GLU SEQRES 5 A 72 ALA ILE GLU LYS ARG PHE LYS GLU LEU THR ARG THR LEU SEQRES 6 A 72 THR ASN LEU THR SER ASP GLU SEQRES 1 B 72 LYS ARG LYS PHE ALA CYS VAL GLU CYS ARG GLN GLN LYS SEQRES 2 B 72 SER LYS CYS ASP ALA CYS GLU ARG ALA PRO GLU PRO CYS SEQRES 3 B 72 THR LYS CYS ALA LYS LYS ASN VAL PRO CYS ILE LEU LYS SEQRES 4 B 72 ARG ASP PHE ARG ARG THR TYR LYS ARG ALA ARG ASN GLU SEQRES 5 B 72 ALA ILE GLU LYS ARG PHE LYS GLU LEU THR ARG THR LEU SEQRES 6 B 72 THR ASN LEU THR SER ASP GLU HET ZN A 104 1 HET ZN A 105 1 HET ZN B 104 1 HET ZN B 105 1 HETNAM ZN ZINC ION FORMUL 5 ZN 4(ZN 2+) FORMUL 9 HOH *13(H2 O) HELIX 1 1 CYS A 37 GLN A 43 1 7 HELIX 2 2 THR A 58 ASN A 64 1 7 HELIX 3 3 TYR A 77 THR A 97 1 21 HELIX 4 4 CYS B 37 GLN B 43 1 7 HELIX 5 5 THR B 58 ASN B 64 1 7 HELIX 6 6 TYR B 77 THR B 97 1 21 LINK ZN ZN A 104 SG CYS A 60 1555 1555 2.48 LINK ZN ZN A 104 SG CYS A 67 1555 1555 2.28 LINK ZN ZN A 104 SG CYS A 37 1555 1555 2.34 LINK ZN ZN A 104 SG CYS A 57 1555 1555 2.17 LINK ZN ZN A 105 SG CYS A 37 1555 1555 2.23 LINK ZN ZN A 105 SG CYS A 40 1555 1555 2.33 LINK ZN ZN A 105 SG CYS A 47 1555 1555 2.05 LINK ZN ZN A 105 SG CYS A 57 1555 1555 2.49 LINK ZN ZN B 104 SG CYS B 57 1555 1555 2.18 LINK ZN ZN B 104 SG CYS B 67 1555 1555 2.25 LINK ZN ZN B 104 SG CYS B 60 1555 1555 2.51 LINK ZN ZN B 104 SG CYS B 37 1555 1555 2.36 LINK ZN ZN B 105 SG CYS B 37 1555 1555 2.25 LINK ZN ZN B 105 SG CYS B 40 1555 1555 2.31 LINK ZN ZN B 105 SG CYS B 57 1555 1555 2.47 LINK ZN ZN B 105 SG CYS B 47 1555 1555 2.07 SITE 1 AC1 5 CYS A 37 CYS A 57 CYS A 60 CYS A 67 SITE 2 AC1 5 ZN A 105 SITE 1 AC2 5 CYS A 37 CYS A 40 CYS A 47 CYS A 57 SITE 2 AC2 5 ZN A 104 SITE 1 AC3 5 CYS B 37 CYS B 57 CYS B 60 CYS B 67 SITE 2 AC3 5 ZN B 105 SITE 1 AC4 5 CYS B 37 CYS B 40 CYS B 47 CYS B 57 SITE 2 AC4 5 ZN B 104 CRYST1 66.768 66.768 122.745 90.00 90.00 120.00 P 62 12 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 0.014977 0.008647 0.000000 0.00000 SCALE2 0.000000 0.017294 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008147 0.00000 ATOM 1 O5' DT C 1 -2.052 51.262 14.310 1.00118.70 O ATOM 2 C5' DT C 1 -2.516 50.855 15.599 1.00118.70 C ATOM 3 C4' DT C 1 -3.951 50.379 15.588 1.00118.70 C ATOM 4 O4' DT C 1 -4.814 51.521 15.336 1.00118.70 O ATOM 5 C3' DT C 1 -4.231 49.401 14.444 1.00118.70 C ATOM 6 O3' DT C 1 -5.270 48.466 14.782 1.00118.70 O ATOM 7 C2' DT C 1 -4.631 50.322 13.305 1.00118.70 C ATOM 8 C1' DT C 1 -5.380 51.431 14.033 1.00118.70 C ATOM 9 N1 DT C 1 -5.302 52.757 13.389 1.00 83.91 N ATOM 10 C2 DT C 1 -6.455 53.517 13.339 1.00 83.91 C ATOM 11 O2 DT C 1 -7.520 53.147 13.821 1.00 83.91 O ATOM 12 N3 DT C 1 -6.321 54.726 12.697 1.00 83.91 N ATOM 13 C4 DT C 1 -5.181 55.240 12.116 1.00 83.91 C ATOM 14 O4 DT C 1 -5.220 56.347 11.565 1.00 83.91 O ATOM 15 C5 DT C 1 -4.001 54.384 12.211 1.00 83.91 C ATOM 16 C7 DT C 1 -2.713 54.846 11.601 1.00 83.91 C ATOM 17 C6 DT C 1 -4.121 53.209 12.842 1.00 83.91 C ATOM 18 P DT C 2 -5.827 47.443 13.664 1.00 88.07 P ATOM 19 OP1 DT C 2 -6.373 46.264 14.386 1.00 66.59 O ATOM 20 OP2 DT C 2 -4.786 47.246 12.617 1.00 66.59 O ATOM 21 O5' DT C 2 -7.063 48.228 13.031 1.00 88.07 O ATOM 22 C5' DT C 2 -8.001 48.863 13.900 1.00 88.07 C ATOM 23 C4' DT C 2 -9.312 49.150 13.205 1.00 88.07 C ATOM 24 O4' DT C 2 -9.305 50.490 12.665 1.00 88.07 O ATOM 25 C3' DT C 2 -9.618 48.241 12.020 1.00 88.07 C ATOM 26 O3' DT C 2 -11.043 48.166 11.895 1.00 88.07 O ATOM 27 C2' DT C 2 -8.979 48.996 10.868 1.00 88.07 C ATOM 28 C1' DT C 2 -9.273 50.439 11.250 1.00 88.07 C ATOM 29 N1 DT C 2 -8.339 51.474 10.767 1.00 66.59 N ATOM 30 C2 DT C 2 -8.868 52.702 10.394 1.00 66.59 C ATOM 31 O2 DT C 2 -10.059 52.971 10.461 1.00 66.59 O ATOM 32 N3 DT C 2 -7.944 53.608 9.938 1.00 66.59 N ATOM 33 C4 DT C 2 -6.580 53.418 9.818 1.00 66.59 C ATOM 34 O4 DT C 2 -5.874 54.319 9.378 1.00 66.59 O ATOM 35 C5 DT C 2 -6.095 52.117 10.235 1.00 66.59 C ATOM 36 C7 DT C 2 -4.630 51.825 10.146 1.00 66.59 C ATOM 37 C6 DT C 2 -6.987 51.222 10.683 1.00 66.59 C ATOM 38 P DG C 3 -11.716 47.314 10.702 1.00 56.13 P ATOM 39 OP1 DG C 3 -12.377 46.146 11.328 1.00 56.94 O ATOM 40 OP2 DG C 3 -10.708 47.092 9.627 1.00 56.94 O ATOM 41 O5' DG C 3 -12.897 48.271 10.221 1.00 56.13 O ATOM 42 C5' DG C 3 -13.769 48.776 11.203 1.00 56.13 C ATOM 43 C4' DG C 3 -14.737 49.788 10.645 1.00 56.13 C ATOM 44 O4' DG C 3 -14.039 50.980 10.196 1.00 56.13 O ATOM 45 C3' DG C 3 -15.488 49.283 9.427 1.00 56.13 C ATOM 46 O3' DG C 3 -16.815 49.820 9.415 1.00 56.13 O ATOM 47 C2' DG C 3 -14.616 49.746 8.272 1.00 56.13 C ATOM 48 C1' DG C 3 -14.082 51.089 8.774 1.00 56.13 C ATOM 49 N9 DG C 3 -12.741 51.450 8.297 1.00 56.94 N ATOM 50 C8 DG C 3 -11.597 50.695 8.428 1.00 56.94 C ATOM 51 N7 DG C 3 -10.553 51.234 7.862 1.00 56.94 N ATOM 52 C5 DG C 3 -11.026 52.426 7.334 1.00 56.94 C ATOM 53 C6 DG C 3 -10.343 53.434 6.596 1.00 56.94 C ATOM 54 O6 DG C 3 -9.152 53.467 6.247 1.00 56.94 O ATOM 55 N1 DG C 3 -11.187 54.482 6.257 1.00 56.94 N ATOM 56 C2 DG C 3 -12.513 54.550 6.578 1.00 56.94 C ATOM 57 N2 DG C 3 -13.135 55.653 6.154 1.00 56.94 N ATOM 58 N3 DG C 3 -13.173 53.615 7.260 1.00 56.94 N ATOM 59 C4 DG C 3 -12.370 52.587 7.602 1.00 56.94 C ATOM 60 P DC C 4 -17.950 49.131 8.498 1.00 84.87 P ATOM 61 OP1 DC C 4 -19.196 48.950 9.290 1.00 58.96 O ATOM 62 OP2 DC C 4 -17.324 47.953 7.818 1.00 58.96 O ATOM 63 O5' DC C 4 -18.193 50.245 7.396 1.00 84.87 O ATOM 64 C5' DC C 4 -17.073 50.942 6.891 1.00 84.87 C ATOM 65 C4' DC C 4 -17.498 51.998 5.908 1.00 84.87 C ATOM 66 O4' DC C 4 -16.306 52.668 5.459 1.00 84.87 O ATOM 67 C3' DC C 4 -18.159 51.485 4.644 1.00 84.87 C ATOM 68 O3' DC C 4 -18.987 52.541 4.165 1.00 84.87 O ATOM 69 C2' DC C 4 -16.964 51.189 3.750 1.00 84.87 C ATOM 70 C1' DC C 4 -15.969 52.266 4.148 1.00 84.87 C ATOM 71 N1 DC C 4 -14.561 51.866 4.206 1.00 58.96 N ATOM 72 C2 DC C 4 -13.609 52.799 3.828 1.00 58.96 C ATOM 73 O2 DC C 4 -13.998 53.904 3.427 1.00 58.96 O ATOM 74 N3 DC C 4 -12.297 52.485 3.911 1.00 58.96 N ATOM 75 C4 DC C 4 -11.933 51.284 4.360 1.00 58.96 C ATOM 76 N4 DC C 4 -10.636 51.020 4.435 1.00 58.96 N ATOM 77 C5 DC C 4 -12.888 50.303 4.749 1.00 58.96 C ATOM 78 C6 DC C 4 -14.183 50.633 4.650 1.00 58.96 C ATOM 79 P DC C 5 -19.806 52.362 2.809 1.00 61.80 P ATOM 80 OP1 DC C 5 -21.251 52.290 3.137 1.00 78.92 O ATOM 81 OP2 DC C 5 -19.158 51.249 2.081 1.00 78.92 O ATOM 82 O5' DC C 5 -19.516 53.715 2.021 1.00 61.80 O ATOM 83 C5' DC C 5 -19.440 54.937 2.739 1.00 61.80 C ATOM 84 C4' DC C 5 -18.873 56.039 1.877 1.00 61.80 C ATOM 85 O4' DC C 5 -17.470 55.797 1.615 1.00 61.80 O ATOM 86 C3' DC C 5 -19.522 56.113 0.501 1.00 61.80 C ATOM 87 O3' DC C 5 -19.491 57.477 0.053 1.00 61.80 O ATOM 88 C2' DC C 5 -18.648 55.182 -0.322 1.00 61.80 C ATOM 89 C1' DC C 5 -17.272 55.452 0.255 1.00 61.80 C ATOM 90 N1 DC C 5 -16.299 54.356 0.224 1.00 78.92 N ATOM 91 C2 DC C 5 -14.993 54.614 -0.234 1.00 78.92 C ATOM 92 O2 DC C 5 -14.714 55.743 -0.671 1.00 78.92 O ATOM 93 N3 DC C 5 -14.071 53.630 -0.188 1.00 78.92 N ATOM 94 C4 DC C 5 -14.407 52.430 0.273 1.00 78.92 C ATOM 95 N4 DC C 5 -13.466 51.495 0.315 1.00 78.92 N ATOM 96 C5 DC C 5 -15.731 52.132 0.714 1.00 78.92 C ATOM 97 C6 DC C 5 -16.638 53.116 0.668 1.00 78.92 C ATOM 98 P DG C 6 -20.288 57.908 -1.267 1.00 90.37 P ATOM 99 OP1 DG C 6 -20.770 59.293 -1.105 1.00 67.70 O ATOM 100 OP2 DG C 6 -21.248 56.834 -1.607 1.00 67.70 O ATOM 101 O5' DG C 6 -19.138 57.940 -2.353 1.00 90.37 O ATOM 102 C5' DG C 6 -17.988 58.747 -2.138 1.00 90.37 C ATOM 103 C4' DG C 6 -17.123 58.745 -3.373 1.00 90.37 C ATOM 104 O4' DG C 6 -16.312 57.543 -3.408 1.00 90.37 O ATOM 105 C3' DG C 6 -17.973 58.687 -4.636 1.00 90.37 C ATOM 106 O3' DG C 6 -17.303 59.352 -5.693 1.00 90.37 O ATOM 107 C2' DG C 6 -18.133 57.197 -4.871 1.00 90.37 C ATOM 108 C1' DG C 6 -16.789 56.656 -4.417 1.00 90.37 C ATOM 109 N9 DG C 6 -16.813 55.307 -3.856 1.00 67.70 N ATOM 110 C8 DG C 6 -17.887 54.626 -3.328 1.00 67.70 C ATOM 111 N7 DG C 6 -17.572 53.437 -2.883 1.00 67.70 N ATOM 112 C5 DG C 6 -16.211 53.324 -3.141 1.00 67.70 C ATOM 113 C6 DG C 6 -15.302 52.255 -2.888 1.00 67.70 C ATOM 114 O6 DG C 6 -15.520 51.155 -2.367 1.00 67.70 O ATOM 115 N1 DG C 6 -14.017 52.567 -3.317 1.00 67.70 N ATOM 116 C2 DG C 6 -13.651 53.744 -3.916 1.00 67.70 C ATOM 117 N2 DG C 6 -12.368 53.856 -4.267 1.00 67.70 N ATOM 118 N3 DG C 6 -14.479 54.742 -4.157 1.00 67.70 N ATOM 119 C4 DG C 6 -15.733 54.466 -3.746 1.00 67.70 C ATOM 120 P DG C 7 -17.550 58.888 -7.199 1.00106.52 P ATOM 121 OP1 DG C 7 -17.251 60.086 -8.022 1.00 60.99 O ATOM 122 OP2 DG C 7 -18.856 58.194 -7.356 1.00 60.99 O ATOM 123 O5' DG C 7 -16.376 57.845 -7.426 1.00106.52 O ATOM 124 C5' DG C 7 -15.032 58.249 -7.176 1.00106.52 C ATOM 125 C4' DG C 7 -14.069 57.516 -8.082 1.00106.52 C ATOM 126 O4' DG C 7 -13.833 56.181 -7.578 1.00106.52 O ATOM 127 C3' DG C 7 -14.598 57.322 -9.498 1.00106.52 C ATOM 128 O3' DG C 7 -13.474 57.181 -10.364 1.00106.52 O ATOM 129 C2' DG C 7 -15.348 56.012 -9.387 1.00106.52 C ATOM 130 C1' DG C 7 -14.447 55.246 -8.434 1.00106.52 C ATOM 131 N9 DG C 7 -15.080 54.215 -7.624 1.00 60.99 N ATOM 132 C8 DG C 7 -16.399 54.103 -7.272 1.00 60.99 C ATOM 133 N7 DG C 7 -16.671 52.969 -6.688 1.00 60.99 N ATOM 134 C5 DG C 7 -15.448 52.323 -6.621 1.00 60.99 C ATOM 135 C6 DG C 7 -15.108 51.051 -6.114 1.00 60.99 C ATOM 136 O6 DG C 7 -15.854 50.196 -5.613 1.00 60.99 O ATOM 137 N1 DG C 7 -13.746 50.802 -6.236 1.00 60.99 N ATOM 138 C2 DG C 7 -12.830 51.671 -6.781 1.00 60.99 C ATOM 139 N2 DG C 7 -11.548 51.266 -6.811 1.00 60.99 N ATOM 140 N3 DG C 7 -13.143 52.851 -7.265 1.00 60.99 N ATOM 141 C4 DG C 7 -14.454 53.106 -7.155 1.00 60.99 C ATOM 142 P DT C 8 -13.685 57.087 -11.956 1.00104.05 P ATOM 143 OP1 DT C 8 -13.584 58.460 -12.552 1.00 52.60 O ATOM 144 OP2 DT C 8 -14.884 56.210 -12.251 1.00 52.60 O ATOM 145 O5' DT C 8 -12.373 56.343 -12.437 1.00104.05 O ATOM 146 C5' DT C 8 -12.423 54.978 -12.756 1.00104.05 C ATOM 147 C4' DT C 8 -11.166 54.294 -12.290 1.00104.05 C ATOM 148 O4' DT C 8 -11.492 53.555 -11.088 1.00104.05 O ATOM 149 C3' DT C 8 -10.780 53.245 -13.311 1.00104.05 C ATOM 150 O3' DT C 8 -9.393 53.012 -13.419 1.00104.05 O ATOM 151 C2' DT C 8 -11.528 52.015 -12.859 1.00104.05 C ATOM 152 C1' DT C 8 -11.540 52.157 -11.354 1.00104.05 C ATOM 153 N1 DT C 8 -12.794 51.640 -10.792 1.00 52.60 N ATOM 154 C2 DT C 8 -12.794 50.444 -10.083 1.00 52.60 C ATOM 155 O2 DT C 8 -11.786 49.777 -9.859 1.00 52.60 O ATOM 156 N3 DT C 8 -14.032 50.052 -9.638 1.00 52.60 N ATOM 157 C4 DT C 8 -15.226 50.712 -9.816 1.00 52.60 C ATOM 158 O4 DT C 8 -16.255 50.249 -9.356 1.00 52.60 O ATOM 159 C5 DT C 8 -15.146 51.940 -10.552 1.00 52.60 C ATOM 160 C7 DT C 8 -16.402 52.712 -10.785 1.00 52.60 C ATOM 161 C6 DT C 8 -13.951 52.342 -10.998 1.00 52.60 C ATOM 162 P DA C 9 -8.903 51.992 -14.542 1.00 59.58 P ATOM 163 OP1 DA C 9 -7.488 52.209 -14.944 1.00 59.95 O ATOM 164 OP2 DA C 9 -9.968 52.037 -15.571 1.00 59.95 O ATOM 165 O5' DA C 9 -9.009 50.591 -13.804 1.00 59.58 O ATOM 166 C5' DA C 9 -8.204 50.322 -12.654 1.00 59.58 C ATOM 167 C4' DA C 9 -8.101 48.831 -12.413 1.00 59.58 C ATOM 168 O4' DA C 9 -9.335 48.306 -11.865 1.00 59.58 O ATOM 169 C3' DA C 9 -7.874 48.043 -13.694 1.00 59.58 C ATOM 170 O3' DA C 9 -7.218 46.842 -13.347 1.00 59.58 O ATOM 171 C2' DA C 9 -9.283 47.758 -14.167 1.00 59.58 C ATOM 172 C1' DA C 9 -10.013 47.535 -12.851 1.00 59.58 C ATOM 173 N9 DA C 9 -11.397 47.971 -12.850 1.00 59.95 N ATOM 174 C8 DA C 9 -11.889 49.182 -13.243 1.00 59.95 C ATOM 175 N7 DA C 9 -13.175 49.316 -13.042 1.00 59.95 N ATOM 176 C5 DA C 9 -13.556 48.094 -12.501 1.00 59.95 C ATOM 177 C6 DA C 9 -14.790 47.599 -12.058 1.00 59.95 C ATOM 178 N6 DA C 9 -15.920 48.309 -12.076 1.00 59.95 N ATOM 179 N1 DA C 9 -14.827 46.336 -11.584 1.00 59.95 N ATOM 180 C2 DA C 9 -13.695 45.638 -11.557 1.00 59.95 C ATOM 181 N3 DA C 9 -12.473 45.998 -11.933 1.00 59.95 N ATOM 182 C4 DA C 9 -12.473 47.254 -12.400 1.00 59.95 C ATOM 183 P DC C 10 -6.588 45.939 -14.491 1.00 59.45 P ATOM 184 OP1 DC C 10 -5.249 45.533 -14.008 1.00 47.96 O ATOM 185 OP2 DC C 10 -6.723 46.649 -15.800 1.00 47.96 O ATOM 186 O5' DC C 10 -7.512 44.650 -14.468 1.00 59.45 O ATOM 187 C5' DC C 10 -8.882 44.754 -14.136 1.00 59.45 C ATOM 188 C4' DC C 10 -9.422 43.396 -13.766 1.00 59.45 C ATOM 189 O4' DC C 10 -10.804 43.535 -13.399 1.00 59.45 O ATOM 190 C3' DC C 10 -9.421 42.390 -14.901 1.00 59.45 C ATOM 191 O3' DC C 10 -9.322 41.080 -14.347 1.00 59.45 O ATOM 192 C2' DC C 10 -10.753 42.661 -15.567 1.00 59.45 C ATOM 193 C1' DC C 10 -11.647 43.040 -14.405 1.00 59.45 C ATOM 194 N1 DC C 10 -12.606 44.107 -14.695 1.00 47.96 N ATOM 195 C2 DC C 10 -13.907 43.949 -14.266 1.00 47.96 C ATOM 196 O2 DC C 10 -14.210 42.900 -13.684 1.00 47.96 O ATOM 197 N3 DC C 10 -14.803 44.930 -14.481 1.00 47.96 N ATOM 198 C4 DC C 10 -14.433 46.034 -15.105 1.00 47.96 C ATOM 199 N4 DC C 10 -15.343 46.977 -15.279 1.00 47.96 N ATOM 200 C5 DC C 10 -13.108 46.221 -15.574 1.00 47.96 C ATOM 201 C6 DC C 10 -12.230 45.239 -15.351 1.00 47.96 C ATOM 202 P DC C 11 -8.985 39.834 -15.291 1.00 56.03 P ATOM 203 OP1 DC C 11 -7.849 39.123 -14.674 1.00 45.63 O ATOM 204 OP2 DC C 11 -8.909 40.279 -16.711 1.00 45.63 O ATOM 205 O5' DC C 11 -10.310 38.986 -15.109 1.00 56.03 O ATOM 206 C5' DC C 11 -11.527 39.687 -14.960 1.00 56.03 C ATOM 207 C4' DC C 11 -12.710 38.768 -15.083 1.00 56.03 C ATOM 208 O4' DC C 11 -13.869 39.610 -15.216 1.00 56.03 O ATOM 209 C3' DC C 11 -12.728 37.872 -16.306 1.00 56.03 C ATOM 210 O3' DC C 11 -13.634 36.822 -15.954 1.00 56.03 O ATOM 211 C2' DC C 11 -13.339 38.781 -17.351 1.00 56.03 C ATOM 212 C1' DC C 11 -14.352 39.568 -16.529 1.00 56.03 C ATOM 213 N1 DC C 11 -14.631 40.950 -16.937 1.00 45.63 N ATOM 214 C2 DC C 11 -15.891 41.462 -16.666 1.00 45.63 C ATOM 215 O2 DC C 11 -16.704 40.750 -16.065 1.00 45.63 O ATOM 216 N3 DC C 11 -16.201 42.715 -17.060 1.00 45.63 N ATOM 217 C4 DC C 11 -15.295 43.453 -17.697 1.00 45.63 C ATOM 218 N4 DC C 11 -15.661 44.688 -18.084 1.00 45.63 N ATOM 219 C5 DC C 11 -13.984 42.961 -17.970 1.00 45.63 C ATOM 220 C6 DC C 11 -13.698 41.715 -17.573 1.00 45.63 C ATOM 221 P DG C 12 -13.580 35.408 -16.705 1.00 76.58 P ATOM 222 OP1 DG C 12 -12.700 34.503 -15.931 1.00 52.96 O ATOM 223 OP2 DG C 12 -13.285 35.667 -18.142 1.00 52.96 O ATOM 224 O5' DG C 12 -15.081 34.908 -16.552 1.00 76.58 O ATOM 225 C5' DG C 12 -15.723 34.971 -15.287 1.00 76.58 C ATOM 226 C4' DG C 12 -17.219 34.941 -15.463 1.00 76.58 C ATOM 227 O4' DG C 12 -17.633 36.198 -16.036 1.00 76.58 O ATOM 228 C3' DG C 12 -17.640 33.875 -16.476 1.00 76.58 C ATOM 229 O3' DG C 12 -18.975 33.398 -16.197 1.00 76.58 O ATOM 230 C2' DG C 12 -17.566 34.630 -17.787 1.00 76.58 C ATOM 231 C1' DG C 12 -18.055 36.002 -17.374 1.00 76.58 C ATOM 232 N9 DG C 12 -17.539 37.101 -18.166 1.00 52.96 N ATOM 233 C8 DG C 12 -16.318 37.168 -18.774 1.00 52.96 C ATOM 234 N7 DG C 12 -16.124 38.292 -19.403 1.00 52.96 N ATOM 235 C5 DG C 12 -17.290 39.006 -19.200 1.00 52.96 C ATOM 236 C6 DG C 12 -17.645 40.265 -19.643 1.00 52.96 C ATOM 237 O6 DG C 12 -16.981 41.041 -20.312 1.00 52.96 O ATOM 238 N1 DG C 12 -18.922 40.618 -19.237 1.00 52.96 N ATOM 239 C2 DG C 12 -19.745 39.837 -18.484 1.00 52.96 C ATOM 240 N2 DG C 12 -20.952 40.355 -18.201 1.00 52.96 N ATOM 241 N3 DG C 12 -19.415 38.640 -18.044 1.00 52.96 N ATOM 242 C4 DG C 12 -18.175 38.287 -18.445 1.00 52.96 C ATOM 243 P DG C 13 -19.445 31.937 -16.712 1.00 87.23 P ATOM 244 OP1 DG C 13 -20.214 31.313 -15.597 1.00 65.45 O ATOM 245 OP2 DG C 13 -18.295 31.208 -17.328 1.00 65.45 O ATOM 246 O5' DG C 13 -20.426 32.297 -17.899 1.00 87.23 O ATOM 247 C5' DG C 13 -20.127 33.413 -18.705 1.00 87.23 C ATOM 248 C4' DG C 13 -21.373 34.207 -18.989 1.00 87.23 C ATOM 249 O4' DG C 13 -20.986 35.527 -19.429 1.00 87.23 O ATOM 250 C3' DG C 13 -22.169 33.613 -20.136 1.00 87.23 C ATOM 251 O3' DG C 13 -23.533 33.978 -19.995 1.00 87.23 O ATOM 252 C2' DG C 13 -21.537 34.267 -21.347 1.00 87.23 C ATOM 253 C1' DG C 13 -21.188 35.659 -20.826 1.00 87.23 C ATOM 254 N9 DG C 13 -19.956 36.197 -21.394 1.00 65.45 N ATOM 255 C8 DG C 13 -18.782 35.518 -21.625 1.00 65.45 C ATOM 256 N7 DG C 13 -17.858 36.262 -22.172 1.00 65.45 N ATOM 257 C5 DG C 13 -18.456 37.509 -22.301 1.00 65.45 C ATOM 258 C6 DG C 13 -17.945 38.729 -22.828 1.00 65.45 C ATOM 259 O6 DG C 13 -16.825 38.957 -23.304 1.00 65.45 O ATOM 260 N1 DG C 13 -18.888 39.747 -22.760 1.00 65.45 N ATOM 261 C2 DG C 13 -20.157 39.613 -22.244 1.00 65.45 C ATOM 262 N2 DG C 13 -20.917 40.708 -22.246 1.00 65.45 N ATOM 263 N3 DG C 13 -20.646 38.486 -21.756 1.00 65.45 N ATOM 264 C4 DG C 13 -19.749 37.484 -21.817 1.00 65.45 C ATOM 265 P DC C 14 -24.614 33.350 -20.980 1.00 89.46 P ATOM 266 OP1 DC C 14 -25.333 32.317 -20.193 1.00 58.03 O ATOM 267 OP2 DC C 14 -23.905 32.977 -22.229 1.00 58.03 O ATOM 268 O5' DC C 14 -25.564 34.584 -21.282 1.00 89.46 O ATOM 269 C5' DC C 14 -25.020 35.891 -21.270 1.00 89.46 C ATOM 270 C4' DC C 14 -25.637 36.739 -22.354 1.00 89.46 C ATOM 271 O4' DC C 14 -24.571 37.464 -23.011 1.00 89.46 O ATOM 272 C3' DC C 14 -26.308 35.939 -23.466 1.00 89.46 C ATOM 273 O3' DC C 14 -27.276 36.803 -24.074 1.00 89.46 O ATOM 274 C2' DC C 14 -25.159 35.664 -24.417 1.00 89.46 C ATOM 275 C1' DC C 14 -24.373 36.958 -24.322 1.00 89.46 C ATOM 276 N1 DC C 14 -22.933 36.857 -24.575 1.00 58.03 N ATOM 277 C2 DC C 14 -22.231 38.011 -24.951 1.00 58.03 C ATOM 278 O2 DC C 14 -22.835 39.091 -24.997 1.00 58.03 O ATOM 279 N3 DC C 14 -20.914 37.926 -25.248 1.00 58.03 N ATOM 280 C4 DC C 14 -20.292 36.747 -25.167 1.00 58.03 C ATOM 281 N4 DC C 14 -18.993 36.702 -25.485 1.00 58.03 N ATOM 282 C5 DC C 14 -20.977 35.558 -24.759 1.00 58.03 C ATOM 283 C6 DC C 14 -22.285 35.661 -24.475 1.00 58.03 C ATOM 284 P DA C 15 -28.286 36.240 -25.188 1.00 74.96 P ATOM 285 OP1 DA C 15 -29.185 37.386 -25.513 1.00 60.13 O ATOM 286 OP2 DA C 15 -28.847 34.931 -24.754 1.00 60.13 O ATOM 287 O5' DA C 15 -27.387 35.999 -26.479 1.00 74.96 O ATOM 288 C5' DA C 15 -27.588 36.785 -27.655 1.00 74.96 C ATOM 289 C4' DA C 15 -27.013 38.167 -27.458 1.00 74.96 C ATOM 290 O4' DA C 15 -25.640 38.039 -27.025 1.00 74.96 O ATOM 291 C3' DA C 15 -26.944 38.956 -28.759 1.00 74.96 C ATOM 292 O3' DA C 15 -26.997 40.360 -28.488 1.00 74.96 O ATOM 293 C2' DA C 15 -25.593 38.556 -29.318 1.00 74.96 C ATOM 294 C1' DA C 15 -24.752 38.425 -28.064 1.00 74.96 C ATOM 295 N9 DA C 15 -23.697 37.419 -28.152 1.00 60.13 N ATOM 296 C8 DA C 15 -23.790 36.066 -27.907 1.00 60.13 C ATOM 297 N7 DA C 15 -22.660 35.417 -28.094 1.00 60.13 N ATOM 298 C5 DA C 15 -21.767 36.411 -28.479 1.00 60.13 C ATOM 299 C6 DA C 15 -20.404 36.379 -28.822 1.00 60.13 C ATOM 300 N6 DA C 15 -19.671 35.267 -28.832 1.00 60.13 N ATOM 301 N1 DA C 15 -19.814 37.541 -29.159 1.00 60.13 N ATOM 302 C2 DA C 15 -20.552 38.654 -29.148 1.00 60.13 C ATOM 303 N3 DA C 15 -21.837 38.816 -28.843 1.00 60.13 N ATOM 304 C4 DA C 15 -22.393 37.646 -28.515 1.00 60.13 C TER 305 DA C 15 ATOM 306 O5' DT D 16 -11.982 33.847 -34.374 1.00116.72 O ATOM 307 C5' DT D 16 -11.702 34.357 -35.672 1.00116.72 C ATOM 308 C4' DT D 16 -11.932 35.849 -35.709 1.00116.72 C ATOM 309 O4' DT D 16 -13.344 36.100 -35.492 1.00116.72 O ATOM 310 C3' DT D 16 -11.215 36.577 -34.573 1.00116.72 C ATOM 311 O3' DT D 16 -10.837 37.915 -34.956 1.00116.72 O ATOM 312 C2' DT D 16 -12.240 36.542 -33.453 1.00116.72 C ATOM 313 C1' DT D 16 -13.555 36.671 -34.207 1.00116.72 C ATOM 314 N1 DT D 16 -14.702 35.985 -33.571 1.00 85.33 N ATOM 315 C2 DT D 16 -15.922 36.635 -33.548 1.00 85.33 C ATOM 316 O2 DT D 16 -16.097 37.746 -34.031 1.00 85.33 O ATOM 317 N3 DT D 16 -16.932 35.936 -32.926 1.00 85.33 N ATOM 318 C4 DT D 16 -16.844 34.685 -32.341 1.00 85.33 C ATOM 319 O4 DT D 16 -17.836 34.182 -31.811 1.00 85.33 O ATOM 320 C5 DT D 16 -15.537 34.065 -32.405 1.00 85.33 C ATOM 321 C7 DT D 16 -15.348 32.712 -31.796 1.00 85.33 C ATOM 322 C6 DT D 16 -14.548 34.735 -33.012 1.00 85.33 C ATOM 323 P DT D 17 -10.448 38.995 -33.819 1.00 82.83 P ATOM 324 OP1 DT D 17 -9.932 40.237 -34.449 1.00 65.60 O ATOM 325 OP2 DT D 17 -9.653 38.329 -32.744 1.00 65.60 O ATOM 326 O5' DT D 17 -11.860 39.360 -33.202 1.00 82.83 O ATOM 327 C5' DT D 17 -11.957 40.267 -32.138 1.00 82.83 C ATOM 328 C4' DT D 17 -13.089 41.229 -32.393 1.00 82.83 C ATOM 329 O4' DT D 17 -14.319 40.474 -32.503 1.00 82.83 O ATOM 330 C3' DT D 17 -13.283 42.143 -31.199 1.00 82.83 C ATOM 331 O3' DT D 17 -13.790 43.407 -31.596 1.00 82.83 O ATOM 332 C2' DT D 17 -14.248 41.369 -30.330 1.00 82.83 C ATOM 333 C1' DT D 17 -15.126 40.667 -31.350 1.00 82.83 C ATOM 334 N1 DT D 17 -15.559 39.343 -30.872 1.00 65.60 N ATOM 335 C2 DT D 17 -16.884 39.154 -30.512 1.00 65.60 C ATOM 336 O2 DT D 17 -17.739 40.025 -30.596 1.00 65.60 O ATOM 337 N3 DT D 17 -17.170 37.896 -30.041 1.00 65.60 N ATOM 338 C4 DT D 17 -16.291 36.840 -29.894 1.00 65.60 C ATOM 339 O4 DT D 17 -16.688 35.774 -29.437 1.00 65.60 O ATOM 340 C5 DT D 17 -14.932 37.104 -30.305 1.00 65.60 C ATOM 341 C7 DT D 17 -13.916 36.012 -30.200 1.00 65.60 C ATOM 342 C6 DT D 17 -14.638 38.324 -30.768 1.00 65.60 C ATOM 343 P DG D 18 -13.516 44.674 -30.659 1.00 53.45 P ATOM 344 OP1 DG D 18 -12.920 45.727 -31.510 1.00 64.48 O ATOM 345 OP2 DG D 18 -12.770 44.189 -29.459 1.00 64.48 O ATOM 346 O5' DG D 18 -14.974 45.145 -30.243 1.00 53.45 O ATOM 347 C5' DG D 18 -15.828 45.621 -31.241 1.00 53.45 C ATOM 348 C4' DG D 18 -17.200 45.895 -30.692 1.00 53.45 C ATOM 349 O4' DG D 18 -17.794 44.644 -30.259 1.00 53.45 O ATOM 350 C3' DG D 18 -17.145 46.768 -29.447 1.00 53.45 C ATOM 351 O3' DG D 18 -18.283 47.648 -29.397 1.00 53.45 O ATOM 352 C2' DG D 18 -17.057 45.750 -28.317 1.00 53.45 C ATOM 353 C1' DG D 18 -17.917 44.603 -28.842 1.00 53.45 C ATOM 354 N9 DG D 18 -17.561 43.255 -28.395 1.00 64.48 N ATOM 355 C8 DG D 18 -16.344 42.643 -28.558 1.00 64.48 C ATOM 356 N7 DG D 18 -16.295 41.438 -28.052 1.00 64.48 N ATOM 357 C5 DG D 18 -17.563 41.233 -27.524 1.00 64.48 C ATOM 358 C6 DG D 18 -18.102 40.104 -26.840 1.00 64.48 C ATOM 359 O6 DG D 18 -17.551 39.034 -26.558 1.00 64.48 O ATOM 360 N1 DG D 18 -19.420 40.309 -26.474 1.00 64.48 N ATOM 361 C2 DG D 18 -20.133 41.445 -26.722 1.00 64.48 C ATOM 362 N2 DG D 18 -21.391 41.421 -26.278 1.00 64.48 N ATOM 363 N3 DG D 18 -19.653 42.514 -27.354 1.00 64.48 N ATOM 364 C4 DG D 18 -18.364 42.339 -27.725 1.00 64.48 C ATOM 365 P DC D 19 -18.274 48.916 -28.397 1.00 76.49 P ATOM 366 OP1 DC D 19 -18.796 50.140 -29.067 1.00 60.66 O ATOM 367 OP2 DC D 19 -16.940 48.955 -27.720 1.00 60.66 O ATOM 368 O5' DC D 19 -19.331 48.471 -27.311 1.00 76.49 O ATOM 369 C5' DC D 19 -19.363 47.122 -26.923 1.00 76.49 C ATOM 370 C4' DC D 19 -20.424 46.907 -25.881 1.00 76.49 C ATOM 371 O4' DC D 19 -20.355 45.537 -25.451 1.00 76.49 O ATOM 372 C3' DC D 19 -20.252 47.726 -24.618 1.00 76.49 C ATOM 373 O3' DC D 19 -21.552 47.822 -24.056 1.00 76.49 O ATOM 374 C2' DC D 19 -19.318 46.858 -23.794 1.00 76.49 C ATOM 375 C1' DC D 19 -19.754 45.452 -24.175 1.00 76.49 C ATOM 376 N1 DC D 19 -18.697 44.447 -24.299 1.00 60.66 N ATOM 377 C2 DC D 19 -19.021 43.155 -23.961 1.00 60.66 C ATOM 378 O2 DC D 19 -20.169 42.938 -23.559 1.00 60.66 O ATOM 379 N3 DC D 19 -18.099 42.179 -24.085 1.00 60.66 N ATOM 380 C4 DC D 19 -16.880 42.476 -24.538 1.00 60.66 C ATOM 381 N4 DC D 19 -16.006 41.485 -24.646 1.00 60.66 N ATOM 382 C5 DC D 19 -16.512 43.804 -24.897 1.00 60.66 C ATOM 383 C6 DC D 19 -17.444 44.754 -24.756 1.00 60.66 C ATOM 384 P DC D 20 -21.849 48.881 -22.906 1.00 76.98 P ATOM 385 OP1 DC D 20 -22.420 50.101 -23.532 1.00 82.16 O ATOM 386 OP2 DC D 20 -20.603 48.974 -22.108 1.00 82.16 O ATOM 387 O5' DC D 20 -22.967 48.151 -22.037 1.00 76.98 O ATOM 388 C5' DC D 20 -24.077 47.550 -22.690 1.00 76.98 C ATOM 389 C4' DC D 20 -24.629 46.395 -21.887 1.00 76.98 C ATOM 390 O4' DC D 20 -23.640 45.339 -21.769 1.00 76.98 O ATOM 391 C3' DC D 20 -24.956 46.787 -20.448 1.00 76.98 C ATOM 392 O3' DC D 20 -26.021 45.945 -19.986 1.00 76.98 O ATOM 393 C2' DC D 20 -23.648 46.496 -19.726 1.00 76.98 C ATOM 394 C1' DC D 20 -23.197 45.233 -20.424 1.00 76.98 C ATOM 395 N1 DC D 20 -21.762 44.910 -20.424 1.00 82.16 N ATOM 396 C2 DC D 20 -21.352 43.618 -20.017 1.00 82.16 C ATOM 397 O2 DC D 20 -22.202 42.807 -19.624 1.00 82.16 O ATOM 398 N3 DC D 20 -20.042 43.290 -20.060 1.00 82.16 N ATOM 399 C4 DC D 20 -19.151 44.182 -20.474 1.00 82.16 C ATOM 400 N4 DC D 20 -17.873 43.809 -20.507 1.00 82.16 N ATOM 401 C5 DC D 20 -19.533 45.504 -20.874 1.00 82.16 C ATOM 402 C6 DC D 20 -20.838 45.823 -20.831 1.00 82.16 C ATOM 403 P DG D 21 -26.945 46.392 -18.744 1.00 87.74 P ATOM 404 OP1 DG D 21 -28.233 46.864 -19.297 1.00 68.50 O ATOM 405 OP2 DG D 21 -26.192 47.255 -17.798 1.00 68.50 O ATOM 406 O5' DG D 21 -27.161 45.007 -17.998 1.00 87.74 O ATOM 407 C5' DG D 21 -26.099 44.057 -17.994 1.00 87.74 C ATOM 408 C4' DG D 21 -25.943 43.422 -16.632 1.00 87.74 C ATOM 409 O4' DG D 21 -24.531 43.167 -16.436 1.00 87.74 O ATOM 410 C3' DG D 21 -26.348 44.289 -15.446 1.00 87.74 C ATOM 411 O3' DG D 21 -26.760 43.431 -14.377 1.00 87.74 O ATOM 412 C2' DG D 21 -25.085 45.070 -15.148 1.00 87.74 C ATOM 413 C1' DG D 21 -23.979 44.088 -15.496 1.00 87.74 C ATOM 414 N9 DG D 21 -22.827 44.729 -16.125 1.00 68.50 N ATOM 415 C8 DG D 21 -22.769 45.996 -16.662 1.00 68.50 C ATOM 416 N7 DG D 21 -21.597 46.291 -17.158 1.00 68.50 N ATOM 417 C5 DG D 21 -20.831 45.153 -16.931 1.00 68.50 C ATOM 418 C6 DG D 21 -19.464 44.879 -17.237 1.00 68.50 C ATOM 419 O6 DG D 21 -18.625 45.612 -17.781 1.00 68.50 O ATOM 420 N1 DG D 21 -19.097 43.603 -16.831 1.00 68.50 N ATOM 421 C2 DG D 21 -19.925 42.707 -16.203 1.00 68.50 C ATOM 422 N2 DG D 21 -19.376 41.530 -15.878 1.00 68.50 N ATOM 423 N3 DG D 21 -21.196 42.946 -15.909 1.00 68.50 N ATOM 424 C4 DG D 21 -21.578 44.181 -16.298 1.00 68.50 C ATOM 425 P DG D 22 -26.436 43.820 -12.854 1.00115.70 P ATOM 426 OP1 DG D 22 -27.349 42.986 -12.034 1.00 60.41 O ATOM 427 OP2 DG D 22 -26.415 45.294 -12.662 1.00 60.41 O ATOM 428 O5' DG D 22 -24.975 43.232 -12.631 1.00115.70 O ATOM 429 C5' DG D 22 -24.724 41.858 -12.924 1.00115.70 C ATOM 430 C4' DG D 22 -23.661 41.286 -12.010 1.00115.70 C ATOM 431 O4' DG D 22 -22.343 41.664 -12.476 1.00115.70 O ATOM 432 C3' DG D 22 -23.733 41.786 -10.571 1.00115.70 C ATOM 433 O3' DG D 22 -23.217 40.771 -9.706 1.00115.70 O ATOM 434 C2' DG D 22 -22.857 43.022 -10.607 1.00115.70 C ATOM 435 C1' DG D 22 -21.771 42.604 -11.586 1.00115.70 C ATOM 436 N9 DG D 22 -21.183 43.684 -12.367 1.00 60.41 N ATOM 437 C8 DG D 22 -21.754 44.884 -12.707 1.00 60.41 C ATOM 438 N7 DG D 22 -20.921 45.691 -13.303 1.00 60.41 N ATOM 439 C5 DG D 22 -19.743 44.966 -13.383 1.00 60.41 C ATOM 440 C6 DG D 22 -18.491 45.321 -13.913 1.00 60.41 C ATOM 441 O6 DG D 22 -18.150 46.389 -14.434 1.00 60.41 O ATOM 442 N1 DG D 22 -17.578 44.282 -13.798 1.00 60.41 N ATOM 443 C2 DG D 22 -17.844 43.055 -13.239 1.00 60.41 C ATOM 444 N2 DG D 22 -16.833 42.164 -13.219 1.00 60.41 N ATOM 445 N3 DG D 22 -19.011 42.720 -12.737 1.00 60.41 N ATOM 446 C4 DG D 22 -19.904 43.716 -12.839 1.00 60.41 C ATOM 447 P DT D 23 -22.820 41.127 -8.187 1.00 93.17 P ATOM 448 OP1 DT D 23 -22.855 39.848 -7.399 1.00 58.10 O ATOM 449 OP2 DT D 23 -23.562 42.333 -7.687 1.00 58.10 O ATOM 450 O5' DT D 23 -21.303 41.555 -8.314 1.00 93.17 O ATOM 451 C5' DT D 23 -20.426 41.308 -7.249 1.00 93.17 C ATOM 452 C4' DT D 23 -19.258 40.489 -7.729 1.00 93.17 C ATOM 453 O4' DT D 23 -18.787 41.081 -8.961 1.00 93.17 O ATOM 454 C3' DT D 23 -18.113 40.623 -6.750 1.00 93.17 C ATOM 455 O3' DT D 23 -17.281 39.490 -6.668 1.00 93.17 O ATOM 456 C2' DT D 23 -17.374 41.842 -7.248 1.00 93.17 C ATOM 457 C1' DT D 23 -17.573 41.787 -8.749 1.00 93.17 C ATOM 458 N1 DT D 23 -17.754 43.133 -9.307 1.00 58.10 N ATOM 459 C2 DT D 23 -16.722 43.744 -9.999 1.00 58.10 C ATOM 460 O2 DT D 23 -15.639 43.209 -10.227 1.00 58.10 O ATOM 461 N3 DT D 23 -17.001 45.018 -10.429 1.00 58.10 N ATOM 462 C4 DT D 23 -18.171 45.714 -10.257 1.00 58.10 C ATOM 463 O4 DT D 23 -18.277 46.853 -10.700 1.00 58.10 O ATOM 464 C5 DT D 23 -19.204 45.006 -9.544 1.00 58.10 C ATOM 465 C7 DT D 23 -20.517 45.685 -9.320 1.00 58.10 C ATOM 466 C6 DT D 23 -18.947 43.768 -9.113 1.00 58.10 C ATOM 467 P DA D 24 -16.146 39.481 -5.547 1.00 63.16 P ATOM 468 OP1 DA D 24 -15.664 38.099 -5.305 1.00 60.64 O ATOM 469 OP2 DA D 24 -16.675 40.283 -4.420 1.00 60.64 O ATOM 470 O5' DA D 24 -14.968 40.290 -6.239 1.00 63.16 O ATOM 471 C5' DA D 24 -14.356 39.773 -7.417 1.00 63.16 C ATOM 472 C4' DA D 24 -13.028 40.449 -7.667 1.00 63.16 C ATOM 473 O4' DA D 24 -13.239 41.783 -8.184 1.00 63.16 O ATOM 474 C3' DA D 24 -12.213 40.637 -6.393 1.00 63.16 C ATOM 475 O3' DA D 24 -10.843 40.690 -6.749 1.00 63.16 O ATOM 476 C2' DA D 24 -12.685 41.984 -5.891 1.00 63.16 C ATOM 477 C1' DA D 24 -12.886 42.740 -7.197 1.00 63.16 C ATOM 478 N9 DA D 24 -13.928 43.752 -7.178 1.00 60.64 N ATOM 479 C8 DA D 24 -15.198 43.654 -6.686 1.00 60.64 C ATOM 480 N7 DA D 24 -15.915 44.734 -6.862 1.00 60.64 N ATOM 481 C5 DA D 24 -15.047 45.604 -7.501 1.00 60.64 C ATOM 482 C6 DA D 24 -15.200 46.909 -7.963 1.00 60.64 C ATOM 483 N6 DA D 24 -16.335 47.597 -7.853 1.00 60.64 N ATOM 484 N1 DA D 24 -14.139 47.498 -8.550 1.00 60.64 N ATOM 485 C2 DA D 24 -13.009 46.804 -8.656 1.00 60.64 C ATOM 486 N3 DA D 24 -12.744 45.564 -8.264 1.00 60.64 N ATOM 487 C4 DA D 24 -13.819 45.015 -7.690 1.00 60.64 C ATOM 488 P DC D 25 -9.733 40.660 -5.608 1.00 58.87 P ATOM 489 OP1 DC D 25 -8.750 39.614 -5.983 1.00 52.90 O ATOM 490 OP2 DC D 25 -10.398 40.604 -4.267 1.00 52.90 O ATOM 491 O5' DC D 25 -9.009 42.056 -5.799 1.00 58.87 O ATOM 492 C5' DC D 25 -9.745 43.192 -6.191 1.00 58.87 C ATOM 493 C4' DC D 25 -8.809 44.345 -6.449 1.00 58.87 C ATOM 494 O4' DC D 25 -9.598 45.505 -6.764 1.00 58.87 O ATOM 495 C3' DC D 25 -7.963 44.756 -5.255 1.00 58.87 C ATOM 496 O3' DC D 25 -6.775 45.378 -5.750 1.00 58.87 O ATOM 497 C2' DC D 25 -8.878 45.724 -4.537 1.00 58.87 C ATOM 498 C1' DC D 25 -9.619 46.401 -5.684 1.00 58.87 C ATOM 499 N1 DC D 25 -11.029 46.684 -5.406 1.00 52.90 N ATOM 500 C2 DC D 25 -11.547 47.896 -5.811 1.00 52.90 C ATOM 501 O2 DC D 25 -10.798 48.691 -6.393 1.00 52.90 O ATOM 502 N3 DC D 25 -12.838 48.180 -5.568 1.00 52.90 N ATOM 503 C4 DC D 25 -13.603 47.298 -4.949 1.00 52.90 C ATOM 504 N4 DC D 25 -14.871 47.622 -4.739 1.00 52.90 N ATOM 505 C5 DC D 25 -13.102 46.042 -4.518 1.00 52.90 C ATOM 506 C6 DC D 25 -11.819 45.775 -4.769 1.00 52.90 C ATOM 507 P DC D 26 -5.568 45.709 -4.755 1.00 58.62 P ATOM 508 OP1 DC D 26 -4.337 45.169 -5.359 1.00 42.06 O ATOM 509 OP2 DC D 26 -5.933 45.342 -3.359 1.00 42.06 O ATOM 510 O5' DC D 26 -5.535 47.292 -4.843 1.00 58.62 O ATOM 511 C5' DC D 26 -6.762 47.984 -4.898 1.00 58.62 C ATOM 512 C4' DC D 26 -6.559 49.473 -4.838 1.00 58.62 C ATOM 513 O4' DC D 26 -7.871 50.049 -4.769 1.00 58.62 O ATOM 514 C3' DC D 26 -5.829 49.996 -3.614 1.00 58.62 C ATOM 515 O3' DC D 26 -5.409 51.319 -3.972 1.00 58.62 O ATOM 516 C2' DC D 26 -6.952 50.097 -2.603 1.00 58.62 C ATOM 517 C1' DC D 26 -8.119 50.539 -3.478 1.00 58.62 C ATOM 518 N1 DC D 26 -9.463 50.084 -3.096 1.00 42.06 N ATOM 519 C2 DC D 26 -10.531 50.926 -3.364 1.00 42.06 C ATOM 520 O2 DC D 26 -10.308 52.001 -3.917 1.00 42.06 O ATOM 521 N3 DC D 26 -11.779 50.551 -3.020 1.00 42.06 N ATOM 522 C4 DC D 26 -11.979 49.374 -2.428 1.00 42.06 C ATOM 523 N4 DC D 26 -13.242 49.046 -2.097 1.00 42.06 N ATOM 524 C5 DC D 26 -10.898 48.484 -2.146 1.00 42.06 C ATOM 525 C6 DC D 26 -9.668 48.877 -2.493 1.00 42.06 C ATOM 526 P DG D 27 -4.017 51.912 -3.438 1.00 79.26 P ATOM 527 OP1 DG D 27 -2.957 51.505 -4.393 1.00 58.60 O ATOM 528 OP2 DG D 27 -3.884 51.594 -1.990 1.00 58.60 O ATOM 529 O5' DG D 27 -4.235 53.474 -3.596 1.00 79.26 O ATOM 530 C5' DG D 27 -4.646 54.005 -4.844 1.00 79.26 C ATOM 531 C4' DG D 27 -5.381 55.304 -4.635 1.00 79.26 C ATOM 532 O4' DG D 27 -6.677 55.011 -4.074 1.00 79.26 O ATOM 533 C3' DG D 27 -4.664 56.161 -3.591 1.00 79.26 C ATOM 534 O3' DG D 27 -4.925 57.559 -3.821 1.00 79.26 O ATOM 535 C2' DG D 27 -5.284 55.676 -2.297 1.00 79.26 C ATOM 536 C1' DG D 27 -6.719 55.446 -2.728 1.00 79.26 C ATOM 537 N9 DG D 27 -7.448 54.453 -1.953 1.00 58.60 N ATOM 538 C8 DG D 27 -6.937 53.325 -1.366 1.00 58.60 C ATOM 539 N7 DG D 27 -7.844 52.621 -0.747 1.00 58.60 N ATOM 540 C5 DG D 27 -9.019 53.329 -0.935 1.00 58.60 C ATOM 541 C6 DG D 27 -10.307 53.051 -0.498 1.00 58.60 C ATOM 542 O6 DG D 27 -10.688 52.093 0.163 1.00 58.60 O ATOM 543 N1 DG D 27 -11.211 54.022 -0.896 1.00 58.60 N ATOM 544 C2 DG D 27 -10.902 55.122 -1.636 1.00 58.60 C ATOM 545 N2 DG D 27 -11.923 55.944 -1.923 1.00 58.60 N ATOM 546 N3 DG D 27 -9.685 55.399 -2.062 1.00 58.60 N ATOM 547 C4 DG D 27 -8.796 54.462 -1.673 1.00 58.60 C ATOM 548 P DG D 28 -3.910 58.681 -3.252 1.00 87.21 P ATOM 549 OP1 DG D 28 -3.820 59.729 -4.299 1.00 69.17 O ATOM 550 OP2 DG D 28 -2.669 58.043 -2.711 1.00 69.17 O ATOM 551 O5' DG D 28 -4.698 59.277 -2.019 1.00 87.21 O ATOM 552 C5' DG D 28 -5.604 58.446 -1.327 1.00 87.21 C ATOM 553 C4' DG D 28 -6.894 59.175 -1.070 1.00 87.21 C ATOM 554 O4' DG D 28 -7.876 58.214 -0.640 1.00 87.21 O ATOM 555 C3' DG D 28 -6.757 60.156 0.076 1.00 87.21 C ATOM 556 O3' DG D 28 -7.716 61.188 -0.066 1.00 87.21 O ATOM 557 C2' DG D 28 -7.048 59.296 1.284 1.00 87.21 C ATOM 558 C1' DG D 28 -8.099 58.332 0.751 1.00 87.21 C ATOM 559 N9 DG D 28 -7.981 56.994 1.319 1.00 69.17 N ATOM 560 C8 DG D 28 -6.823 56.292 1.564 1.00 69.17 C ATOM 561 N7 DG D 28 -7.037 55.122 2.102 1.00 69.17 N ATOM 562 C5 DG D 28 -8.417 55.047 2.212 1.00 69.17 C ATOM 563 C6 DG D 28 -9.239 54.018 2.725 1.00 69.17 C ATOM 564 O6 DG D 28 -8.897 52.928 3.200 1.00 69.17 O ATOM 565 N1 DG D 28 -10.586 54.354 2.644 1.00 69.17 N ATOM 566 C2 DG D 28 -11.076 55.533 2.126 1.00 69.17 C ATOM 567 N2 DG D 28 -12.403 55.674 2.118 1.00 69.17 N ATOM 568 N3 DG D 28 -10.319 56.501 1.647 1.00 69.17 N ATOM 569 C4 DG D 28 -9.013 56.194 1.724 1.00 69.17 C ATOM 570 P DC D 29 -7.695 62.411 0.957 1.00 82.15 P ATOM 571 OP1 DC D 29 -7.917 63.620 0.116 1.00 61.65 O ATOM 572 OP2 DC D 29 -6.471 62.301 1.797 1.00 61.65 O ATOM 573 O5' DC D 29 -8.963 62.135 1.873 1.00 82.15 O ATOM 574 C5' DC D 29 -10.240 61.957 1.285 1.00 82.15 C ATOM 575 C4' DC D 29 -11.289 61.825 2.361 1.00 82.15 C ATOM 576 O4' DC D 29 -11.271 60.485 2.916 1.00 82.15 O ATOM 577 C3' DC D 29 -10.967 62.742 3.536 1.00 82.15 C ATOM 578 O3' DC D 29 -12.184 63.107 4.191 1.00 82.15 O ATOM 579 C2' DC D 29 -10.101 61.861 4.422 1.00 82.15 C ATOM 580 C1' DC D 29 -10.790 60.521 4.248 1.00 82.15 C ATOM 581 N1 DC D 29 -9.986 59.323 4.492 1.00 61.65 N ATOM 582 C2 DC D 29 -10.637 58.142 4.882 1.00 61.65 C ATOM 583 O2 DC D 29 -11.867 58.135 4.969 1.00 61.65 O ATOM 584 N3 DC D 29 -9.908 57.037 5.153 1.00 61.65 N ATOM 585 C4 DC D 29 -8.578 57.080 5.035 1.00 61.65 C ATOM 586 N4 DC D 29 -7.890 55.973 5.316 1.00 61.65 N ATOM 587 C5 DC D 29 -7.890 58.266 4.625 1.00 61.65 C ATOM 588 C6 DC D 29 -8.631 59.354 4.364 1.00 61.65 C ATOM 589 P DA D 30 -12.187 64.312 5.244 1.00 75.60 P ATOM 590 OP1 DA D 30 -13.606 64.522 5.628 1.00 66.86 O ATOM 591 OP2 DA D 30 -11.386 65.425 4.671 1.00 66.86 O ATOM 592 O5' DA D 30 -11.430 63.730 6.518 1.00 75.60 O ATOM 593 C5' DA D 30 -12.164 63.367 7.683 1.00 75.60 C ATOM 594 C4' DA D 30 -13.048 62.177 7.390 1.00 75.60 C ATOM 595 O4' DA D 30 -12.215 61.069 6.968 1.00 75.60 O ATOM 596 C3' DA D 30 -13.774 61.672 8.634 1.00 75.60 C ATOM 597 O3' DA D 30 -14.901 60.880 8.231 1.00 75.60 O ATOM 598 C2' DA D 30 -12.769 60.701 9.232 1.00 75.60 C ATOM 599 C1' DA D 30 -12.163 60.074 7.989 1.00 75.60 C ATOM 600 N9 DA D 30 -10.777 59.632 8.133 1.00 66.86 N ATOM 601 C8 DA D 30 -9.616 60.367 7.987 1.00 66.86 C ATOM 602 N7 DA D 30 -8.517 59.670 8.184 1.00 66.86 N ATOM 603 C5 DA D 30 -8.985 58.390 8.474 1.00 66.86 C ATOM 604 C6 DA D 30 -8.323 57.183 8.775 1.00 66.86 C ATOM 605 N6 DA D 30 -7.000 57.062 8.827 1.00 66.86 N ATOM 606 N1 DA D 30 -9.079 56.093 9.021 1.00 66.86 N ATOM 607 C2 DA D 30 -10.410 56.215 8.962 1.00 66.86 C ATOM 608 N3 DA D 30 -11.153 57.290 8.683 1.00 66.86 N ATOM 609 C4 DA D 30 -10.372 58.356 8.448 1.00 66.86 C TER 610 DA D 30 ATOM 611 N PHE A 35 -15.971 44.186 14.568 0.50117.54 N ATOM 612 CA PHE A 35 -15.083 44.735 13.542 0.50117.54 C ATOM 613 C PHE A 35 -15.459 44.237 12.135 0.50117.54 C ATOM 614 O PHE A 35 -16.633 44.255 11.750 0.50117.54 O ATOM 615 CB PHE A 35 -13.646 44.364 13.788 0.50118.43 C ATOM 616 CG PHE A 35 -13.378 42.894 14.074 0.50 80.25 C ATOM 617 CD1 PHE A 35 -12.339 42.234 13.424 0.50 80.25 C ATOM 618 CD2 PHE A 35 -14.122 42.197 15.019 0.50 80.25 C ATOM 619 CE1 PHE A 35 -12.038 40.905 13.705 0.50 80.25 C ATOM 620 CE2 PHE A 35 -13.831 40.869 15.307 0.50 80.25 C ATOM 621 CZ PHE A 35 -12.780 40.222 14.650 0.50 80.25 C ATOM 622 N ALA A 36 -14.469 43.792 11.356 1.00 73.72 N ATOM 623 CA ALA A 36 -14.709 43.347 9.975 1.00 73.72 C ATOM 624 C ALA A 36 -14.227 41.954 9.599 1.00 73.72 C ATOM 625 O ALA A 36 -13.076 41.582 9.881 1.00 73.72 O ATOM 626 CB ALA A 36 -14.084 44.371 9.011 1.00 66.56 C ATOM 627 N CYS A 37 -15.102 41.193 8.947 1.00 81.06 N ATOM 628 CA CYS A 37 -14.745 39.844 8.533 1.00 81.06 C ATOM 629 C CYS A 37 -13.593 39.933 7.562 1.00 81.06 C ATOM 630 O CYS A 37 -13.572 40.824 6.714 1.00 81.06 O ATOM 631 CB CYS A 37 -15.924 39.152 7.853 1.00 66.49 C ATOM 632 SG CYS A 37 -16.381 39.882 6.294 1.00 66.49 S ATOM 633 N VAL A 38 -12.646 39.005 7.665 1.00 69.73 N ATOM 634 CA VAL A 38 -11.480 39.030 6.791 1.00 69.73 C ATOM 635 C VAL A 38 -11.815 39.480 5.382 1.00 69.73 C ATOM 636 O VAL A 38 -11.334 40.501 4.933 1.00 69.73 O ATOM 637 CB VAL A 38 -10.799 37.662 6.712 1.00 80.88 C ATOM 638 CG1 VAL A 38 -9.414 37.824 6.131 1.00 80.88 C ATOM 639 CG2 VAL A 38 -10.723 37.033 8.082 1.00 80.88 C ATOM 640 N GLU A 39 -12.664 38.735 4.697 1.00 56.93 N ATOM 641 CA GLU A 39 -13.025 39.106 3.339 1.00 56.93 C ATOM 642 C GLU A 39 -13.451 40.570 3.189 1.00 56.93 C ATOM 643 O GLU A 39 -12.895 41.286 2.374 1.00 56.93 O ATOM 644 CB GLU A 39 -14.133 38.188 2.821 1.00 75.54 C ATOM 645 CG GLU A 39 -14.536 38.437 1.379 1.00 96.34 C ATOM 646 CD GLU A 39 -13.471 37.993 0.393 1.00 96.34 C ATOM 647 OE1 GLU A 39 -12.712 37.046 0.723 1.00 96.34 O ATOM 648 OE2 GLU A 39 -13.421 38.565 -0.721 1.00 96.34 O ATOM 649 N CYS A 40 -14.430 41.025 3.962 1.00 43.24 N ATOM 650 CA CYS A 40 -14.845 42.421 3.843 1.00 43.24 C ATOM 651 C CYS A 40 -13.653 43.347 4.025 1.00 43.24 C ATOM 652 O CYS A 40 -13.525 44.387 3.364 1.00 43.24 O ATOM 653 CB CYS A 40 -15.933 42.774 4.852 1.00 73.29 C ATOM 654 SG CYS A 40 -17.618 42.383 4.350 1.00 73.29 S ATOM 655 N ARG A 41 -12.776 42.967 4.941 1.00 51.50 N ATOM 656 CA ARG A 41 -11.567 43.742 5.174 1.00 51.50 C ATOM 657 C ARG A 41 -10.740 43.758 3.898 1.00 51.50 C ATOM 658 O ARG A 41 -10.135 44.757 3.542 1.00 51.50 O ATOM 659 CB ARG A 41 -10.744 43.131 6.298 1.00 61.92 C ATOM 660 CG ARG A 41 -11.219 43.537 7.664 1.00 61.92 C ATOM 661 CD ARG A 41 -10.204 43.097 8.697 1.00 61.92 C ATOM 662 NE ARG A 41 -10.415 43.715 10.005 1.00 61.92 N ATOM 663 CZ ARG A 41 -9.636 43.484 11.050 1.00 61.92 C ATOM 664 NH1 ARG A 41 -8.609 42.656 10.925 1.00 61.92 N ATOM 665 NH2 ARG A 41 -9.881 44.069 12.211 1.00 61.92 N ATOM 666 N GLN A 42 -10.722 42.631 3.210 1.00 54.48 N ATOM 667 CA GLN A 42 -9.982 42.499 1.975 1.00 54.48 C ATOM 668 C GLN A 42 -10.472 43.492 0.951 1.00 54.48 C ATOM 669 O GLN A 42 -9.688 44.243 0.389 1.00 54.48 O ATOM 670 CB GLN A 42 -10.138 41.092 1.426 1.00 56.48 C ATOM 671 CG GLN A 42 -9.488 40.928 0.086 1.00 56.48 C ATOM 672 CD GLN A 42 -8.019 41.349 0.109 1.00 56.48 C ATOM 673 OE1 GLN A 42 -7.296 41.007 1.023 1.00 56.48 O ATOM 674 NE2 GLN A 42 -7.585 42.095 -0.895 1.00 56.48 N ATOM 675 N GLN A 43 -11.774 43.502 0.702 1.00 51.07 N ATOM 676 CA GLN A 43 -12.337 44.423 -0.285 1.00 51.07 C ATOM 677 C GLN A 43 -12.729 45.759 0.311 1.00 51.07 C ATOM 678 O GLN A 43 -13.397 46.562 -0.344 1.00 51.07 O ATOM 679 CB GLN A 43 -13.554 43.805 -0.970 1.00 78.59 C ATOM 680 CG GLN A 43 -13.190 43.051 -2.234 1.00 78.59 C ATOM 681 CD GLN A 43 -12.233 41.917 -1.974 1.00 78.59 C ATOM 682 OE1 GLN A 43 -12.614 40.923 -1.422 1.00 78.59 O ATOM 683 NE2 GLN A 43 -10.968 42.089 -2.340 1.00 78.59 N ATOM 684 N LYS A 44 -12.306 46.000 1.552 1.00 40.51 N ATOM 685 CA LYS A 44 -12.609 47.257 2.235 1.00 40.51 C ATOM 686 C LYS A 44 -14.040 47.574 2.032 1.00 40.51 C ATOM 687 O LYS A 44 -14.358 48.687 1.651 1.00 40.51 O ATOM 688 CB LYS A 44 -11.811 48.419 1.638 1.00 54.84 C ATOM 689 CG LYS A 44 -10.319 48.317 1.717 1.00 54.84 C ATOM 690 CD LYS A 44 -9.682 49.589 1.232 1.00 54.84 C ATOM 691 CE LYS A 44 -8.188 49.557 1.440 1.00 54.84 C ATOM 692 NZ LYS A 44 -7.584 50.900 1.233 1.00 54.84 N ATOM 693 N SER A 45 -14.906 46.605 2.258 1.00 51.38 N ATOM 694 CA SER A 45 -16.323 46.841 2.028 1.00 51.38 C ATOM 695 C SER A 45 -17.087 46.733 3.320 1.00 51.38 C ATOM 696 O SER A 45 -16.676 45.985 4.201 1.00 51.38 O ATOM 697 CB SER A 45 -16.854 45.818 1.038 1.00 90.46 C ATOM 698 OG SER A 45 -16.545 44.509 1.477 1.00 90.46 O ATOM 699 N LYS A 46 -18.190 47.463 3.447 1.00 91.00 N ATOM 700 CA LYS A 46 -18.968 47.401 4.676 1.00 91.00 C ATOM 701 C LYS A 46 -19.221 45.940 5.038 1.00 91.00 C ATOM 702 O LYS A 46 -19.779 45.186 4.246 1.00 91.00 O ATOM 703 CB LYS A 46 -20.283 48.130 4.499 1.00 60.04 C ATOM 704 N CYS A 47 -18.769 45.528 6.214 1.00 60.69 N ATOM 705 CA CYS A 47 -18.981 44.165 6.676 1.00 60.69 C ATOM 706 C CYS A 47 -19.950 44.348 7.813 1.00 60.69 C ATOM 707 O CYS A 47 -19.747 45.228 8.641 1.00 60.69 O ATOM 708 CB CYS A 47 -17.690 43.582 7.225 1.00 72.97 C ATOM 709 SG CYS A 47 -17.881 42.004 8.069 1.00 72.97 S ATOM 710 N ASP A 48 -21.003 43.546 7.866 1.00 99.62 N ATOM 711 CA ASP A 48 -21.972 43.685 8.944 1.00 99.62 C ATOM 712 C ASP A 48 -22.034 42.417 9.774 1.00 99.62 C ATOM 713 O ASP A 48 -23.049 41.724 9.763 1.00 99.62 O ATOM 714 CB ASP A 48 -23.344 43.999 8.369 1.00 74.80 C ATOM 715 N ALA A 49 -20.953 42.124 10.496 1.00 99.00 N ATOM 716 CA ALA A 49 -20.867 40.917 11.331 1.00 99.00 C ATOM 717 C ALA A 49 -21.636 41.039 12.644 1.00 99.00 C ATOM 718 O ALA A 49 -22.778 40.583 12.742 1.00 99.00 O ATOM 719 CB ALA A 49 -19.389 40.568 11.625 1.00 72.36 C ATOM 720 N CYS A 50 -20.991 41.637 13.650 1.00119.50 N ATOM 721 CA CYS A 50 -21.601 41.828 14.963 1.00119.50 C ATOM 722 C CYS A 50 -23.101 41.847 14.743 1.00119.50 C ATOM 723 O CYS A 50 -23.819 40.946 15.185 1.00119.50 O ATOM 724 CB CYS A 50 -21.142 43.152 15.586 1.00 71.65 C ATOM 725 N GLU A 51 -23.556 42.865 14.019 1.00107.56 N ATOM 726 CA GLU A 51 -24.969 43.020 13.709 1.00107.56 C ATOM 727 C GLU A 51 -25.596 41.649 13.441 1.00107.56 C ATOM 728 O GLU A 51 -25.995 40.950 14.378 1.00107.56 O ATOM 729 CB GLU A 51 -25.149 43.921 12.479 1.00170.59 C ATOM 730 CG GLU A 51 -24.612 45.339 12.647 1.00173.67 C ATOM 731 CD GLU A 51 -23.145 45.469 12.275 1.00173.67 C ATOM 732 OE1 GLU A 51 -22.543 44.465 11.836 1.00173.67 O ATOM 733 OE2 GLU A 51 -22.593 46.583 12.410 1.00173.67 O ATOM 734 N ARG A 52 -25.688 41.278 12.162 1.00116.79 N ATOM 735 CA ARG A 52 -26.270 39.998 11.765 1.00116.79 C ATOM 736 C ARG A 52 -25.585 38.831 12.492 1.00116.79 C ATOM 737 O ARG A 52 -24.758 38.107 11.920 1.00116.79 O ATOM 738 CB ARG A 52 -26.160 39.822 10.258 1.00 80.16 C ATOM 739 N ALA A 53 -25.967 38.684 13.761 1.00128.90 N ATOM 740 CA ALA A 53 -25.508 37.668 14.712 1.00128.90 C ATOM 741 C ALA A 53 -24.470 36.614 14.297 1.00128.90 C ATOM 742 O ALA A 53 -23.548 36.887 13.521 1.00128.90 O ATOM 743 CB ALA A 53 -26.739 36.970 15.301 1.00 90.69 C ATOM 744 N PRO A 54 -24.624 35.415 14.864 1.00118.03 N ATOM 745 CA PRO A 54 -23.723 34.307 14.590 1.00118.03 C ATOM 746 C PRO A 54 -23.660 33.992 13.112 1.00118.03 C ATOM 747 O PRO A 54 -22.713 33.362 12.634 1.00118.03 O ATOM 748 N GLU A 55 -24.683 34.432 12.388 1.00130.41 N ATOM 749 CA GLU A 55 -24.748 34.222 10.949 1.00130.41 C ATOM 750 C GLU A 55 -23.611 35.001 10.266 1.00130.41 C ATOM 751 O GLU A 55 -23.477 36.217 10.456 1.00130.41 O ATOM 752 CB GLU A 55 -26.114 34.685 10.415 1.00 76.85 C ATOM 753 N PRO A 56 -22.775 34.304 9.467 1.00109.98 N ATOM 754 CA PRO A 56 -21.640 34.888 8.739 1.00109.98 C ATOM 755 C PRO A 56 -21.975 36.254 8.126 1.00109.98 C ATOM 756 O PRO A 56 -23.141 36.530 7.819 1.00109.98 O ATOM 757 CB PRO A 56 -21.347 33.831 7.680 1.00 83.27 C ATOM 758 CG PRO A 56 -21.629 32.567 8.412 1.00 83.27 C ATOM 759 CD PRO A 56 -22.926 32.877 9.127 1.00 83.27 C ATOM 760 N CYS A 57 -20.960 37.099 7.940 1.00 80.13 N ATOM 761 CA CYS A 57 -21.187 38.427 7.377 1.00 80.13 C ATOM 762 C CYS A 57 -22.049 38.342 6.114 1.00 80.13 C ATOM 763 O CYS A 57 -21.966 37.365 5.356 1.00 80.13 O ATOM 764 CB CYS A 57 -19.859 39.114 7.050 1.00 95.03 C ATOM 765 SG CYS A 57 -19.463 39.216 5.272 1.00 95.03 S ATOM 766 N THR A 58 -22.875 39.364 5.894 1.00 93.68 N ATOM 767 CA THR A 58 -23.768 39.400 4.730 1.00 93.68 C ATOM 768 C THR A 58 -23.056 39.154 3.405 1.00 93.68 C ATOM 769 O THR A 58 -23.330 38.176 2.721 1.00 93.68 O ATOM 770 CB THR A 58 -24.504 40.749 4.631 1.00103.31 C ATOM 771 OG1 THR A 58 -25.085 41.060 5.905 1.00103.31 O ATOM 772 CG2 THR A 58 -25.606 40.688 3.563 1.00103.31 C ATOM 773 N LYS A 59 -22.149 40.049 3.035 1.00112.52 N ATOM 774 CA LYS A 59 -21.419 39.894 1.782 1.00112.52 C ATOM 775 C LYS A 59 -20.858 38.475 1.684 1.00112.52 C ATOM 776 O LYS A 59 -20.871 37.869 0.602 1.00112.52 O ATOM 777 CB LYS A 59 -20.294 40.921 1.700 1.00104.31 C ATOM 778 N CYS A 60 -20.375 37.950 2.814 1.00 82.62 N ATOM 779 CA CYS A 60 -19.830 36.591 2.855 1.00 82.62 C ATOM 780 C CYS A 60 -20.926 35.566 2.554 1.00 82.62 C ATOM 781 O CYS A 60 -20.683 34.357 2.468 1.00 82.62 O ATOM 782 CB CYS A 60 -19.181 36.302 4.216 1.00 94.28 C ATOM 783 SG CYS A 60 -17.517 37.008 4.414 1.00 94.28 S ATOM 784 N ALA A 61 -22.140 36.075 2.402 1.00 89.94 N ATOM 785 CA ALA A 61 -23.277 35.246 2.062 1.00 89.94 C ATOM 786 C ALA A 61 -23.206 35.108 0.554 1.00 89.94 C ATOM 787 O ALA A 61 -22.860 34.045 0.029 1.00 89.94 O ATOM 788 CB ALA A 61 -24.581 35.931 2.456 1.00 94.17 C ATOM 789 N LYS A 62 -23.533 36.195 -0.136 1.00 88.13 N ATOM 790 CA LYS A 62 -23.496 36.190 -1.587 1.00 88.13 C ATOM 791 C LYS A 62 -22.329 35.309 -2.016 1.00 88.13 C ATOM 792 O LYS A 62 -22.469 34.447 -2.883 1.00 88.13 O ATOM 793 CB LYS A 62 -23.313 37.617 -2.120 1.00 77.20 C ATOM 794 N LYS A 63 -21.187 35.506 -1.366 1.00 79.07 N ATOM 795 CA LYS A 63 -19.989 34.743 -1.688 1.00 79.07 C ATOM 796 C LYS A 63 -20.048 33.327 -1.151 1.00 79.07 C ATOM 797 O LYS A 63 -19.522 32.397 -1.766 1.00 79.07 O ATOM 798 CB LYS A 63 -18.741 35.450 -1.135 1.00 76.73 C ATOM 799 N ASN A 64 -20.695 33.162 -0.007 1.00 94.13 N ATOM 800 CA ASN A 64 -20.771 31.854 0.613 1.00 94.13 C ATOM 801 C ASN A 64 -19.332 31.392 0.773 1.00 94.13 C ATOM 802 O ASN A 64 -18.829 30.577 -0.004 1.00 94.13 O ATOM 803 CB ASN A 64 -21.552 30.863 -0.261 1.00 98.00 C ATOM 804 CG ASN A 64 -21.458 29.422 0.254 1.00 98.00 C ATOM 805 OD1 ASN A 64 -20.562 28.664 -0.133 1.00 98.00 O ATOM 806 ND2 ASN A 64 -22.380 29.049 1.140 1.00 98.00 N ATOM 807 N VAL A 65 -18.670 31.955 1.775 1.00 57.63 N ATOM 808 CA VAL A 65 -17.293 31.623 2.072 1.00 57.63 C ATOM 809 C VAL A 65 -17.138 31.644 3.584 1.00 57.63 C ATOM 810 O VAL A 65 -17.981 32.191 4.306 1.00 57.63 O ATOM 811 CB VAL A 65 -16.319 32.659 1.469 1.00102.03 C ATOM 812 CG1 VAL A 65 -16.481 32.723 -0.034 1.00102.03 C ATOM 813 CG2 VAL A 65 -16.579 34.032 2.080 1.00102.03 C ATOM 814 N PRO A 66 -16.059 31.037 4.085 1.00100.72 N ATOM 815 CA PRO A 66 -15.789 30.990 5.520 1.00100.72 C ATOM 816 C PRO A 66 -15.549 32.401 6.031 1.00100.72 C ATOM 817 O PRO A 66 -14.468 32.967 5.837 1.00100.72 O ATOM 818 CB PRO A 66 -14.531 30.134 5.609 1.00 87.61 C ATOM 819 CG PRO A 66 -14.657 29.231 4.439 1.00 87.61 C ATOM 820 CD PRO A 66 -15.124 30.171 3.352 1.00 87.61 C ATOM 821 N CYS A 67 -16.568 32.964 6.672 1.00 66.38 N ATOM 822 CA CYS A 67 -16.490 34.308 7.222 1.00 66.38 C ATOM 823 C CYS A 67 -15.643 34.320 8.496 1.00 66.38 C ATOM 824 O CYS A 67 -16.184 34.351 9.597 1.00 66.38 O ATOM 825 CB CYS A 67 -17.902 34.808 7.522 1.00 91.47 C ATOM 826 SG CYS A 67 -17.998 36.510 8.042 1.00 91.47 S ATOM 827 N ILE A 68 -14.320 34.293 8.338 1.00 66.07 N ATOM 828 CA ILE A 68 -13.399 34.303 9.475 1.00 66.07 C ATOM 829 C ILE A 68 -13.286 35.687 10.121 1.00 66.07 C ATOM 830 O ILE A 68 -13.541 36.705 9.480 1.00 66.07 O ATOM 831 CB ILE A 68 -12.021 33.817 9.034 1.00 56.14 C ATOM 832 N LEU A 69 -12.911 35.717 11.394 1.00 74.32 N ATOM 833 CA LEU A 69 -12.759 36.969 12.137 1.00 74.32 C ATOM 834 C LEU A 69 -11.390 37.029 12.809 1.00 74.32 C ATOM 835 O LEU A 69 -11.284 36.772 14.012 1.00 74.32 O ATOM 836 CB LEU A 69 -13.837 37.079 13.257 1.00 52.04 C ATOM 837 CG LEU A 69 -15.260 37.510 12.878 1.00 52.04 C ATOM 838 CD1 LEU A 69 -15.403 39.032 13.005 1.00 52.04 C ATOM 839 CD2 LEU A 69 -15.624 37.059 11.474 1.00 52.04 C ATOM 840 N LYS A 70 -10.344 37.367 12.059 1.00 81.03 N ATOM 841 CA LYS A 70 -9.007 37.440 12.653 1.00 81.03 C ATOM 842 C LYS A 70 -8.593 38.876 12.917 1.00 81.03 C ATOM 843 O LYS A 70 -7.819 39.446 12.155 1.00 81.03 O ATOM 844 CB LYS A 70 -7.984 36.763 11.757 1.00 81.63 C ATOM 845 N ARG A 71 -9.113 39.436 14.011 1.00 81.94 N ATOM 846 CA ARG A 71 -8.858 40.810 14.434 1.00 81.94 C ATOM 847 C ARG A 71 -7.477 41.360 14.069 1.00 81.94 C ATOM 848 O ARG A 71 -7.289 42.579 13.955 1.00 81.94 O ATOM 849 CB ARG A 71 -9.080 40.920 15.927 1.00 77.27 C ATOM 850 N ASP A 72 -6.520 40.463 13.873 1.00 89.55 N ATOM 851 CA ASP A 72 -5.160 40.854 13.526 1.00 89.55 C ATOM 852 C ASP A 72 -4.885 40.719 12.025 1.00 89.55 C ATOM 853 O ASP A 72 -3.727 40.505 11.633 1.00 89.55 O ATOM 854 CB ASP A 72 -4.179 39.955 14.261 1.00129.93 C ATOM 855 CG ASP A 72 -4.273 38.513 13.796 1.00129.93 C ATOM 856 OD1 ASP A 72 -5.382 37.936 13.904 1.00129.93 O ATOM 857 OD2 ASP A 72 -3.252 37.966 13.314 1.00129.93 O ATOM 858 N PHE A 73 -5.928 40.816 11.193 1.00104.37 N ATOM 859 CA PHE A 73 -5.769 40.689 9.738 1.00104.37 C ATOM 860 C PHE A 73 -5.672 42.017 9.001 1.00104.37 C ATOM 861 O PHE A 73 -6.275 43.008 9.406 1.00104.37 O ATOM 862 CB PHE A 73 -6.918 39.894 9.114 1.00 81.84 C ATOM 863 CG PHE A 73 -6.902 39.914 7.604 1.00 81.84 C ATOM 864 CD1 PHE A 73 -5.848 39.340 6.899 1.00 81.84 C ATOM 865 CD2 PHE A 73 -7.902 40.563 6.891 1.00 81.84 C ATOM 866 CE1 PHE A 73 -5.786 39.416 5.512 1.00 81.84 C ATOM 867 CE2 PHE A 73 -7.846 40.646 5.500 1.00 81.84 C ATOM 868 CZ PHE A 73 -6.785 40.071 4.810 1.00 81.84 C ATOM 869 N ARG A 74 -4.923 42.018 7.901 1.00 77.06 N ATOM 870 CA ARG A 74 -4.738 43.217 7.091 1.00 77.06 C ATOM 871 C ARG A 74 -4.763 42.838 5.600 1.00 77.06 C ATOM 872 O ARG A 74 -3.933 42.057 5.129 1.00 77.06 O ATOM 873 CB ARG A 74 -3.409 43.899 7.475 1.00132.93 C ATOM 874 CG ARG A 74 -2.954 43.597 8.922 1.00132.93 C ATOM 875 CD ARG A 74 -2.186 44.741 9.612 1.00132.93 C ATOM 876 NE ARG A 74 -1.579 44.303 10.877 1.00132.93 N ATOM 877 CZ ARG A 74 -1.018 45.108 11.783 1.00132.93 C ATOM 878 NH1 ARG A 74 -0.979 46.423 11.592 1.00132.93 N ATOM 879 NH2 ARG A 74 -0.469 44.588 12.877 1.00132.93 N ATOM 880 N ARG A 75 -5.727 43.387 4.866 1.00 67.00 N ATOM 881 CA ARG A 75 -5.892 43.099 3.439 1.00 67.00 C ATOM 882 C ARG A 75 -4.589 43.029 2.664 1.00 67.00 C ATOM 883 O ARG A 75 -3.652 43.757 2.956 1.00 67.00 O ATOM 884 CB ARG A 75 -6.781 44.157 2.782 1.00 63.60 C ATOM 885 CG ARG A 75 -6.081 45.468 2.523 1.00 63.60 C ATOM 886 CD ARG A 75 -7.028 46.505 1.973 1.00 63.60 C ATOM 887 NE ARG A 75 -7.675 46.067 0.735 1.00 63.60 N ATOM 888 CZ ARG A 75 -7.034 45.593 -0.334 1.00 63.60 C ATOM 889 NH1 ARG A 75 -5.711 45.481 -0.329 1.00 63.60 N ATOM 890 NH2 ARG A 75 -7.718 45.250 -1.421 1.00 63.60 N ATOM 891 N THR A 76 -4.545 42.150 1.669 1.00 70.11 N ATOM 892 CA THR A 76 -3.364 41.995 0.822 1.00 70.11 C ATOM 893 C THR A 76 -3.547 42.930 -0.355 1.00 70.11 C ATOM 894 O THR A 76 -4.642 43.027 -0.893 1.00 70.11 O ATOM 895 CB THR A 76 -3.235 40.564 0.265 1.00 86.02 C ATOM 896 OG1 THR A 76 -3.151 39.625 1.344 1.00 86.02 O ATOM 897 CG2 THR A 76 -1.987 40.453 -0.594 1.00 86.02 C ATOM 898 N TYR A 77 -2.488 43.640 -0.730 1.00 48.07 N ATOM 899 CA TYR A 77 -2.589 44.549 -1.863 1.00 48.07 C ATOM 900 C TYR A 77 -2.309 43.829 -3.164 1.00 48.07 C ATOM 901 O TYR A 77 -1.297 44.068 -3.807 1.00 48.07 O ATOM 902 CB TYR A 77 -1.706 45.780 -1.613 1.00 53.20 C ATOM 903 CG TYR A 77 -2.487 46.754 -0.774 1.00 53.20 C ATOM 904 CD1 TYR A 77 -2.717 46.495 0.567 1.00 53.20 C ATOM 905 CD2 TYR A 77 -3.039 47.910 -1.333 1.00 53.20 C ATOM 906 CE1 TYR A 77 -3.499 47.312 1.319 1.00 53.20 C ATOM 907 CE2 TYR A 77 -3.835 48.727 -0.589 1.00 53.20 C ATOM 908 CZ TYR A 77 -4.080 48.431 0.735 1.00 53.20 C ATOM 909 OH TYR A 77 -4.893 49.264 1.483 1.00 53.20 O ATOM 910 N LYS A 78 -3.211 42.928 -3.538 1.00 53.22 N ATOM 911 CA LYS A 78 -3.148 42.120 -4.764 1.00 53.22 C ATOM 912 C LYS A 78 -2.374 42.732 -5.932 1.00 53.22 C ATOM 913 O LYS A 78 -1.306 42.258 -6.310 1.00 53.22 O ATOM 914 CB LYS A 78 -4.567 41.817 -5.237 1.00 78.58 C ATOM 915 CG LYS A 78 -5.499 41.369 -4.141 1.00 78.58 C ATOM 916 CD LYS A 78 -5.108 40.029 -3.567 1.00 78.58 C ATOM 917 CE LYS A 78 -6.228 39.029 -3.802 1.00 78.58 C ATOM 918 NZ LYS A 78 -7.572 39.643 -3.530 1.00 78.58 N ATOM 919 N ARG A 79 -2.945 43.769 -6.520 1.00 57.92 N ATOM 920 CA ARG A 79 -2.318 44.453 -7.627 1.00 57.92 C ATOM 921 C ARG A 79 -0.819 44.587 -7.337 1.00 57.92 C ATOM 922 O ARG A 79 -0.018 43.754 -7.762 1.00 57.92 O ATOM 923 CB ARG A 79 -2.949 45.837 -7.791 1.00111.58 C ATOM 924 CG ARG A 79 -3.137 46.268 -9.231 1.00111.58 C ATOM 925 CD ARG A 79 -4.570 46.069 -9.688 1.00111.58 C ATOM 926 NE ARG A 79 -5.460 47.115 -9.188 1.00111.58 N ATOM 927 CZ ARG A 79 -6.737 47.232 -9.538 1.00111.58 C ATOM 928 NH1 ARG A 79 -7.270 46.365 -10.384 1.00111.58 N ATOM 929 NH2 ARG A 79 -7.481 48.220 -9.057 1.00111.58 N ATOM 930 N ALA A 80 -0.456 45.635 -6.604 1.00 74.06 N ATOM 931 CA ALA A 80 0.929 45.909 -6.243 1.00 74.06 C ATOM 932 C ALA A 80 1.736 44.652 -5.929 1.00 74.06 C ATOM 933 O ALA A 80 2.866 44.482 -6.387 1.00 74.06 O ATOM 934 CB ALA A 80 0.956 46.841 -5.051 1.00 85.00 C ATOM 935 N ARG A 81 1.153 43.775 -5.129 1.00 52.23 N ATOM 936 CA ARG A 81 1.816 42.539 -4.752 1.00 52.23 C ATOM 937 C ARG A 81 2.260 41.769 -5.986 1.00 52.23 C ATOM 938 O ARG A 81 3.440 41.760 -6.339 1.00 52.23 O ATOM 939 CB ARG A 81 0.867 41.688 -3.915 1.00 97.96 C ATOM 940 CG ARG A 81 1.423 40.359 -3.515 1.00 97.96 C ATOM 941 CD ARG A 81 1.080 39.301 -4.527 1.00 97.96 C ATOM 942 NE ARG A 81 1.591 38.000 -4.114 1.00 97.96 N ATOM 943 CZ ARG A 81 1.303 37.425 -2.951 1.00 97.96 C ATOM 944 NH1 ARG A 81 0.505 38.040 -2.088 1.00 97.96 N ATOM 945 NH2 ARG A 81 1.818 36.240 -2.644 1.00 97.96 N ATOM 946 N ASN A 82 1.301 41.129 -6.641 1.00 71.03 N ATOM 947 CA ASN A 82 1.573 40.347 -7.836 1.00 71.03 C ATOM 948 C ASN A 82 2.536 41.078 -8.754 1.00 71.03 C ATOM 949 O ASN A 82 3.345 40.455 -9.428 1.00 71.03 O ATOM 950 CB ASN A 82 0.267 40.055 -8.578 1.00106.99 C ATOM 951 CG ASN A 82 -0.726 39.256 -7.732 1.00106.99 C ATOM 952 OD1 ASN A 82 -1.227 39.736 -6.714 1.00106.99 O ATOM 953 ND2 ASN A 82 -1.006 38.026 -8.155 1.00106.99 N ATOM 954 N GLU A 83 2.446 42.403 -8.774 1.00 65.66 N ATOM 955 CA GLU A 83 3.324 43.201 -9.616 1.00 65.66 C ATOM 956 C GLU A 83 4.776 43.014 -9.185 1.00 65.66 C ATOM 957 O GLU A 83 5.689 42.941 -10.013 1.00 65.66 O ATOM 958 CB GLU A 83 2.937 44.671 -9.536 1.00120.11 C ATOM 959 CG GLU A 83 3.623 45.519 -10.573 1.00120.11 C ATOM 960 CD GLU A 83 2.983 46.880 -10.699 1.00120.11 C ATOM 961 OE1 GLU A 83 1.817 46.951 -11.162 1.00120.11 O ATOM 962 OE2 GLU A 83 3.646 47.875 -10.328 1.00120.11 O ATOM 963 N ALA A 84 4.980 42.949 -7.876 1.00 68.51 N ATOM 964 CA ALA A 84 6.303 42.729 -7.329 1.00 68.51 C ATOM 965 C ALA A 84 6.678 41.318 -7.766 1.00 68.51 C ATOM 966 O ALA A 84 7.685 41.118 -8.449 1.00 68.51 O ATOM 967 CB ALA A 84 6.255 42.817 -5.820 1.00 78.54 C ATOM 968 N ILE A 85 5.847 40.352 -7.368 1.00 72.80 N ATOM 969 CA ILE A 85 6.042 38.947 -7.720 1.00 72.80 C ATOM 970 C ILE A 85 6.616 38.854 -9.120 1.00 72.80 C ATOM 971 O ILE A 85 7.758 38.451 -9.303 1.00 72.80 O ATOM 972 CB ILE A 85 4.717 38.163 -7.759 1.00 79.24 C ATOM 973 CG1 ILE A 85 4.063 38.130 -6.378 1.00 79.24 C ATOM 974 CG2 ILE A 85 4.978 36.757 -8.282 1.00 79.24 C ATOM 975 CD1 ILE A 85 4.504 36.979 -5.487 1.00 77.24 C ATOM 976 N GLU A 86 5.813 39.238 -10.108 1.00 82.86 N ATOM 977 CA GLU A 86 6.250 39.174 -11.492 1.00 82.86 C ATOM 978 C GLU A 86 7.632 39.759 -11.687 1.00 82.86 C ATOM 979 O GLU A 86 8.464 39.170 -12.372 1.00 82.86 O ATOM 980 CB GLU A 86 5.282 39.892 -12.426 1.00110.49 C ATOM 981 CG GLU A 86 5.670 39.686 -13.882 1.00110.49 C ATOM 982 CD GLU A 86 4.658 40.247 -14.861 1.00110.49 C ATOM 983 OE1 GLU A 86 3.444 40.039 -14.641 1.00110.49 O ATOM 984 OE2 GLU A 86 5.082 40.879 -15.857 1.00110.49 O ATOM 985 N LYS A 87 7.890 40.919 -11.098 1.00 69.76 N ATOM 986 CA LYS A 87 9.206 41.518 -11.252 1.00 69.76 C ATOM 987 C LYS A 87 10.261 40.551 -10.740 1.00 69.76 C ATOM 988 O LYS A 87 11.231 40.266 -11.434 1.00 69.76 O ATOM 989 CB LYS A 87 9.293 42.841 -10.497 1.00104.05 C ATOM 990 CG LYS A 87 10.668 43.479 -10.553 1.00104.05 C ATOM 991 CD LYS A 87 10.661 44.879 -9.941 1.00104.05 C ATOM 992 CE LYS A 87 12.057 45.290 -9.441 1.00104.05 C ATOM 993 NZ LYS A 87 12.506 44.505 -8.235 1.00104.05 N ATOM 994 N ARG A 88 10.065 40.034 -9.531 1.00100.81 N ATOM 995 CA ARG A 88 11.016 39.083 -8.954 1.00100.81 C ATOM 996 C ARG A 88 11.173 37.883 -9.879 1.00100.81 C ATOM 997 O ARG A 88 12.232 37.680 -10.471 1.00100.81 O ATOM 998 CB ARG A 88 10.557 38.638 -7.556 1.00125.54 C ATOM 999 CG ARG A 88 10.553 39.788 -6.553 1.00125.54 C ATOM 1000 CD ARG A 88 10.407 39.341 -5.106 1.00125.54 C ATOM 1001 NE ARG A 88 9.042 38.957 -4.760 1.00125.54 N ATOM 1002 CZ ARG A 88 8.605 38.792 -3.512 1.00125.54 C ATOM 1003 NH1 ARG A 88 9.428 38.980 -2.485 1.00125.54 N ATOM 1004 NH2 ARG A 88 7.344 38.440 -3.286 1.00125.54 N ATOM 1005 N PHE A 89 10.115 37.096 -10.006 1.00 77.99 N ATOM 1006 CA PHE A 89 10.128 35.939 -10.886 1.00 77.99 C ATOM 1007 C PHE A 89 10.901 36.235 -12.178 1.00 77.99 C ATOM 1008 O PHE A 89 11.567 35.359 -12.726 1.00 77.99 O ATOM 1009 CB PHE A 89 8.696 35.546 -11.239 1.00 95.34 C ATOM 1010 CG PHE A 89 8.602 34.393 -12.189 1.00 95.34 C ATOM 1011 CD1 PHE A 89 8.604 33.082 -11.713 1.00 95.34 C ATOM 1012 CD2 PHE A 89 8.517 34.618 -13.563 1.00 95.34 C ATOM 1013 CE1 PHE A 89 8.523 32.003 -12.591 1.00 95.34 C ATOM 1014 CE2 PHE A 89 8.435 33.551 -14.457 1.00 95.34 C ATOM 1015 CZ PHE A 89 8.438 32.236 -13.970 1.00 95.34 C ATOM 1016 N LYS A 90 10.812 37.467 -12.670 1.00 93.63 N ATOM 1017 CA LYS A 90 11.527 37.827 -13.894 1.00 93.63 C ATOM 1018 C LYS A 90 13.016 37.572 -13.703 1.00 93.63 C ATOM 1019 O LYS A 90 13.534 36.558 -14.166 1.00 93.63 O ATOM 1020 CB LYS A 90 11.281 39.302 -14.265 1.00 69.08 C ATOM 1021 N GLU A 91 13.690 38.487 -13.009 1.00 81.24 N ATOM 1022 CA GLU A 91 15.120 38.364 -12.751 1.00 81.24 C ATOM 1023 C GLU A 91 15.536 36.900 -12.716 1.00 81.24 C ATOM 1024 O GLU A 91 16.314 36.451 -13.558 1.00 81.24 O ATOM 1025 CB GLU A 91 15.477 39.038 -11.427 1.00 76.78 C ATOM 1026 N LEU A 92 15.004 36.160 -11.743 1.00104.77 N ATOM 1027 CA LEU A 92 15.326 34.741 -11.599 1.00104.77 C ATOM 1028 C LEU A 92 15.565 34.102 -12.966 1.00104.77 C ATOM 1029 O LEU A 92 16.579 33.431 -13.167 1.00104.77 O ATOM 1030 CB LEU A 92 14.207 34.010 -10.853 1.00 82.02 C ATOM 1031 N THR A 93 14.649 34.313 -13.908 1.00106.49 N ATOM 1032 CA THR A 93 14.835 33.749 -15.242 1.00106.49 C ATOM 1033 C THR A 93 16.106 34.343 -15.855 1.00106.49 C ATOM 1034 O THR A 93 16.971 33.606 -16.322 1.00106.49 O ATOM 1035 CB THR A 93 13.620 34.024 -16.186 1.00114.87 C ATOM 1036 OG1 THR A 93 13.630 35.388 -16.637 1.00114.87 O ATOM 1037 CG2 THR A 93 12.313 33.739 -15.451 1.00114.87 C ATOM 1038 N ARG A 94 16.225 35.668 -15.843 1.00110.78 N ATOM 1039 CA ARG A 94 17.413 36.315 -16.390 1.00110.78 C ATOM 1040 C ARG A 94 18.657 35.778 -15.681 1.00110.78 C ATOM 1041 O ARG A 94 19.776 35.943 -16.171 1.00110.78 O ATOM 1042 CB ARG A 94 17.326 37.829 -16.231 1.00 73.77 C ATOM 1043 N THR A 95 18.467 35.148 -14.521 1.00 96.22 N ATOM 1044 CA THR A 95 19.592 34.557 -13.795 1.00 96.22 C ATOM 1045 C THR A 95 19.902 33.280 -14.567 1.00 96.22 C ATOM 1046 O THR A 95 21.042 33.030 -14.962 1.00 96.22 O ATOM 1047 CB THR A 95 19.201 34.221 -12.355 1.00 57.09 C ATOM 1048 N LEU A 96 18.855 32.491 -14.792 1.00 97.85 N ATOM 1049 CA LEU A 96 18.954 31.240 -15.533 1.00 97.85 C ATOM 1050 C LEU A 96 19.505 31.512 -16.934 1.00 97.85 C ATOM 1051 O LEU A 96 19.942 30.596 -17.631 1.00 97.85 O ATOM 1052 CB LEU A 96 17.576 30.580 -15.624 1.00 78.24 C ATOM 1053 N THR A 97 19.471 32.780 -17.337 1.00113.02 N ATOM 1054 CA THR A 97 19.980 33.192 -18.641 1.00113.02 C ATOM 1055 C THR A 97 21.501 33.144 -18.551 1.00113.02 C ATOM 1056 O THR A 97 22.211 33.372 -19.536 1.00113.02 O ATOM 1057 CB THR A 97 19.571 34.649 -18.985 1.00122.00 C ATOM 1058 OG1 THR A 97 18.154 34.810 -18.828 1.00122.00 O ATOM 1059 CG2 THR A 97 19.954 34.986 -20.422 1.00122.00 C ATOM 1060 N ASN A 98 21.989 32.857 -17.349 1.00125.10 N ATOM 1061 CA ASN A 98 23.420 32.775 -17.092 1.00125.10 C ATOM 1062 C ASN A 98 23.756 31.446 -16.420 1.00125.10 C ATOM 1063 O ASN A 98 24.161 30.484 -17.080 1.00125.10 O ATOM 1064 CB ASN A 98 23.858 33.951 -16.201 1.00 83.36 C ATOM 1065 N LEU A 99 23.572 31.401 -15.103 1.00 82.47 N ATOM 1066 CA LEU A 99 23.855 30.204 -14.319 1.00 82.47 C ATOM 1067 C LEU A 99 23.107 29.004 -14.898 1.00 82.47 C ATOM 1068 O LEU A 99 22.279 29.238 -15.807 1.00 84.39 O ATOM 1069 CB LEU A 99 23.458 30.431 -12.845 1.00 58.97 C TER 1070 LEU A 99 ATOM 1071 N PHE B 35 -12.807 49.576 -34.522 0.50106.06 N ATOM 1072 CA PHE B 35 -12.905 48.525 -33.528 0.50106.06 C ATOM 1073 C PHE B 35 -12.690 49.069 -32.120 0.50106.06 C ATOM 1074 O PHE B 35 -13.330 50.036 -31.735 0.50106.06 O ATOM 1075 CB PHE B 35 -11.878 47.438 -33.803 0.50 96.16 C ATOM 1076 CG PHE B 35 -10.486 47.934 -34.094 0.50 77.65 C ATOM 1077 CD1 PHE B 35 -9.395 47.373 -33.437 0.50 77.65 C ATOM 1078 CD2 PHE B 35 -10.254 48.929 -35.038 0.50 77.65 C ATOM 1079 CE1 PHE B 35 -8.095 47.777 -33.720 0.50 77.65 C ATOM 1080 CE2 PHE B 35 -8.960 49.339 -35.327 0.50 77.65 C ATOM 1081 CZ PHE B 35 -7.876 48.762 -34.662 0.50 77.65 C ATOM 1082 N ALA B 36 -11.806 48.434 -31.371 1.00 72.27 N ATOM 1083 CA ALA B 36 -11.548 48.869 -29.993 1.00 72.27 C ATOM 1084 C ALA B 36 -10.097 49.147 -29.616 1.00 72.27 C ATOM 1085 O ALA B 36 -9.199 48.328 -29.889 1.00 72.27 O ATOM 1086 CB ALA B 36 -12.127 47.818 -29.035 1.00 69.20 C ATOM 1087 N CYS B 37 -9.875 50.287 -28.962 1.00 66.11 N ATOM 1088 CA CYS B 37 -8.527 50.655 -28.552 1.00 66.11 C ATOM 1089 C CYS B 37 -8.028 49.618 -27.583 1.00 66.11 C ATOM 1090 O CYS B 37 -8.787 49.163 -26.732 1.00 66.11 O ATOM 1091 CB CYS B 37 -8.519 52.022 -27.875 1.00 72.13 C ATOM 1092 SG CYS B 37 -9.387 52.045 -26.321 1.00 72.13 S ATOM 1093 N VAL B 38 -6.754 49.257 -27.691 1.00 65.98 N ATOM 1094 CA VAL B 38 -6.189 48.238 -26.813 1.00 65.98 C ATOM 1095 C VAL B 38 -6.742 48.306 -25.401 1.00 65.98 C ATOM 1096 O VAL B 38 -7.374 47.369 -24.948 1.00 65.98 O ATOM 1097 CB VAL B 38 -4.665 48.338 -26.729 1.00 76.76 C ATOM 1098 CG1 VAL B 38 -4.107 47.059 -26.146 1.00 76.76 C ATOM 1099 CG2 VAL B 38 -4.081 48.588 -28.094 1.00 76.76 C ATOM 1100 N GLU B 39 -6.527 49.418 -24.716 1.00 56.99 N ATOM 1101 CA GLU B 39 -7.025 49.547 -23.359 1.00 56.99 C ATOM 1102 C GLU B 39 -8.509 49.186 -23.202 1.00 56.99 C ATOM 1103 O GLU B 39 -8.853 48.356 -22.376 1.00 56.99 O ATOM 1104 CB GLU B 39 -6.775 50.967 -22.845 1.00 82.83 C ATOM 1105 CG GLU B 39 -7.187 51.186 -21.397 1.00110.37 C ATOM 1106 CD GLU B 39 -6.259 50.490 -20.423 1.00110.37 C ATOM 1107 OE1 GLU B 39 -5.065 50.320 -20.773 1.00110.37 O ATOM 1108 OE2 GLU B 39 -6.713 50.148 -19.305 1.00110.37 O ATOM 1109 N CYS B 40 -9.392 49.809 -23.973 1.00 46.78 N ATOM 1110 CA CYS B 40 -10.810 49.468 -23.857 1.00 46.78 C ATOM 1111 C CYS B 40 -11.017 47.961 -24.042 1.00 46.78 C ATOM 1112 O CYS B 40 -11.852 47.328 -23.380 1.00 46.78 O ATOM 1113 CB CYS B 40 -11.657 50.223 -24.876 1.00 94.04 C ATOM 1114 SG CYS B 40 -12.149 51.884 -24.374 1.00 94.04 S ATOM 1115 N ARG B 41 -10.257 47.384 -24.962 1.00 40.45 N ATOM 1116 CA ARG B 41 -10.321 45.953 -25.196 1.00 40.45 C ATOM 1117 C ARG B 41 -9.918 45.237 -23.916 1.00 40.45 C ATOM 1118 O ARG B 41 -10.483 44.214 -23.563 1.00 40.45 O ATOM 1119 CB ARG B 41 -9.373 45.554 -26.310 1.00 63.79 C ATOM 1120 CG ARG B 41 -9.952 45.760 -27.678 1.00 63.79 C ATOM 1121 CD ARG B 41 -9.071 45.098 -28.712 1.00 63.79 C ATOM 1122 NE ARG B 41 -9.715 44.970 -30.019 1.00 63.79 N ATOM 1123 CZ ARG B 41 -9.132 44.405 -31.065 1.00 63.79 C ATOM 1124 NH1 ARG B 41 -7.902 43.924 -30.945 1.00 63.79 N ATOM 1125 NH2 ARG B 41 -9.772 44.317 -32.219 1.00 63.79 N ATOM 1126 N GLN B 42 -8.935 45.787 -23.218 1.00 50.29 N ATOM 1127 CA GLN B 42 -8.450 45.213 -21.981 1.00 50.29 C ATOM 1128 C GLN B 42 -9.552 45.141 -20.958 1.00 50.29 C ATOM 1129 O GLN B 42 -9.805 44.089 -20.380 1.00 50.29 O ATOM 1130 CB GLN B 42 -7.306 46.052 -21.438 1.00 59.44 C ATOM 1131 CG GLN B 42 -6.836 45.574 -20.087 1.00 59.44 C ATOM 1132 CD GLN B 42 -6.465 44.104 -20.107 1.00 59.44 C ATOM 1133 OE1 GLN B 42 -5.817 43.647 -21.028 1.00 59.44 O ATOM 1134 NE2 GLN B 42 -6.897 43.357 -19.106 1.00 59.44 N ATOM 1135 N GLN B 43 -10.202 46.269 -20.717 1.00 59.29 N ATOM 1136 CA GLN B 43 -11.285 46.293 -19.736 1.00 59.29 C ATOM 1137 C GLN B 43 -12.644 45.963 -20.327 1.00 59.29 C ATOM 1138 O GLN B 43 -13.674 46.158 -19.668 1.00 59.29 O ATOM 1139 CB GLN B 43 -11.362 47.653 -19.040 1.00 84.92 C ATOM 1140 CG GLN B 43 -10.529 47.731 -17.781 1.00 84.92 C ATOM 1141 CD GLN B 43 -9.063 47.474 -18.040 1.00 84.92 C ATOM 1142 OE1 GLN B 43 -8.392 48.297 -18.601 1.00 84.92 O ATOM 1143 NE2 GLN B 43 -8.580 46.294 -17.671 1.00 84.92 N ATOM 1144 N LYS B 44 -12.643 45.481 -21.571 1.00 50.76 N ATOM 1145 CA LYS B 44 -13.875 45.098 -22.254 1.00 50.76 C ATOM 1146 C LYS B 44 -14.860 46.186 -22.042 1.00 50.76 C ATOM 1147 O LYS B 44 -15.979 45.910 -21.653 1.00 50.76 O ATOM 1148 CB LYS B 44 -14.485 43.837 -21.643 1.00 60.02 C ATOM 1149 CG LYS B 44 -13.639 42.594 -21.735 1.00 60.02 C ATOM 1150 CD LYS B 44 -14.418 41.407 -21.242 1.00 60.02 C ATOM 1151 CE LYS B 44 -13.643 40.132 -21.438 1.00 60.02 C ATOM 1152 NZ LYS B 44 -14.510 38.936 -21.226 1.00 60.02 N ATOM 1153 N SER B 45 -14.464 47.422 -22.279 1.00 51.30 N ATOM 1154 CA SER B 45 -15.377 48.533 -22.050 1.00 51.30 C ATOM 1155 C SER B 45 -15.661 49.244 -23.342 1.00 51.30 C ATOM 1156 O SER B 45 -14.807 49.261 -24.219 1.00 51.30 O ATOM 1157 CB SER B 45 -14.755 49.503 -21.052 1.00 96.65 C ATOM 1158 OG SER B 45 -13.468 49.891 -21.498 1.00 96.65 O ATOM 1159 N LYS B 46 -16.846 49.832 -23.467 1.00103.21 N ATOM 1160 CA LYS B 46 -17.187 50.536 -24.695 1.00103.21 C ATOM 1161 C LYS B 46 -16.053 51.486 -25.065 1.00103.21 C ATOM 1162 O LYS B 46 -15.684 52.358 -24.282 1.00103.21 O ATOM 1163 CB LYS B 46 -18.476 51.311 -24.514 1.00 54.61 C ATOM 1164 N CYS B 47 -15.471 51.294 -26.240 1.00 70.13 N ATOM 1165 CA CYS B 47 -14.399 52.160 -26.699 1.00 70.13 C ATOM 1166 C CYS B 47 -15.044 52.907 -27.836 1.00 70.13 C ATOM 1167 O CYS B 47 -15.711 52.290 -28.655 1.00 70.13 O ATOM 1168 CB CYS B 47 -13.242 51.336 -27.242 1.00 81.82 C ATOM 1169 SG CYS B 47 -11.979 52.297 -28.093 1.00 81.82 S ATOM 1170 N ASP B 48 -14.871 54.221 -27.895 1.00101.12 N ATOM 1171 CA ASP B 48 -15.475 54.991 -28.972 1.00101.12 C ATOM 1172 C ASP B 48 -14.406 55.677 -29.800 1.00101.12 C ATOM 1173 O ASP B 48 -14.318 56.899 -29.789 1.00101.12 O ATOM 1174 CB ASP B 48 -16.429 56.022 -28.402 1.00 70.26 C ATOM 1175 N ALA B 49 -13.606 54.889 -30.518 1.00 93.65 N ATOM 1176 CA ALA B 49 -12.521 55.419 -31.356 1.00 93.65 C ATOM 1177 C ALA B 49 -13.011 56.017 -32.671 1.00 93.65 C ATOM 1178 O ALA B 49 -13.188 57.233 -32.773 1.00 93.65 O ATOM 1179 CB ALA B 49 -11.486 54.320 -31.649 1.00 83.18 C ATOM 1180 N CYS B 50 -13.208 55.156 -33.674 1.00114.27 N ATOM 1181 CA CYS B 50 -13.677 55.589 -34.990 1.00114.27 C ATOM 1182 C CYS B 50 -14.445 56.878 -34.770 1.00114.27 C ATOM 1183 O CYS B 50 -14.026 57.951 -35.211 1.00114.27 O ATOM 1184 CB CYS B 50 -14.591 54.528 -35.617 1.00 75.02 C ATOM 1185 N GLU B 51 -15.554 56.762 -34.046 1.00104.49 N ATOM 1186 CA GLU B 51 -16.395 57.907 -33.738 1.00104.49 C ATOM 1187 C GLU B 51 -15.519 59.134 -33.472 1.00104.49 C ATOM 1188 O GLU B 51 -15.114 59.825 -34.413 1.00104.49 O ATOM 1189 CB GLU B 51 -17.265 57.615 -32.508 1.00175.50 C ATOM 1190 CG GLU B 51 -18.225 56.441 -32.675 1.00179.50 C ATOM 1191 CD GLU B 51 -17.604 55.105 -32.300 1.00179.50 C ATOM 1192 OE1 GLU B 51 -16.434 55.089 -31.860 1.00179.50 O ATOM 1193 OE2 GLU B 51 -18.293 54.070 -32.433 1.00179.50 O ATOM 1194 N ARG B 52 -15.243 59.405 -32.194 1.00 96.79 N ATOM 1195 CA ARG B 52 -14.424 60.551 -31.798 1.00 96.79 C ATOM 1196 C ARG B 52 -13.076 60.544 -32.523 1.00 96.79 C ATOM 1197 O ARG B 52 -12.037 60.196 -31.947 1.00 96.79 O ATOM 1198 CB ARG B 52 -14.212 60.549 -30.299 1.00 68.61 C ATOM 1199 N ALA B 53 -13.140 60.944 -33.794 1.00130.03 N ATOM 1200 CA ALA B 53 -12.030 61.053 -34.746 1.00130.03 C ATOM 1201 C ALA B 53 -10.600 60.685 -34.331 1.00130.03 C ATOM 1202 O ALA B 53 -10.374 59.754 -33.553 1.00130.03 O ATOM 1203 CB ALA B 53 -12.040 62.463 -35.345 1.00 87.56 C ATOM 1204 N PRO B 54 -9.641 61.416 -34.902 1.00128.60 N ATOM 1205 CA PRO B 54 -8.232 61.191 -34.627 1.00128.60 C ATOM 1206 C PRO B 54 -7.927 61.296 -33.152 1.00128.60 C ATOM 1207 O PRO B 54 -6.908 60.791 -32.675 1.00128.60 O ATOM 1208 N GLU B 55 -8.818 61.964 -32.428 1.00127.05 N ATOM 1209 CA GLU B 55 -8.665 62.126 -30.990 1.00127.05 C ATOM 1210 C GLU B 55 -8.773 60.752 -30.303 1.00127.05 C ATOM 1211 O GLU B 55 -9.758 60.025 -30.492 1.00127.05 O ATOM 1212 CB GLU B 55 -9.739 63.078 -30.457 1.00 80.77 C ATOM 1213 N PRO B 56 -7.753 60.377 -29.505 1.00106.24 N ATOM 1214 CA PRO B 56 -7.691 59.105 -28.773 1.00106.24 C ATOM 1215 C PRO B 56 -9.039 58.714 -28.159 1.00106.24 C ATOM 1216 O PRO B 56 -9.859 59.587 -27.853 1.00106.24 O ATOM 1217 CB PRO B 56 -6.631 59.382 -27.715 1.00 98.41 C ATOM 1218 CG PRO B 56 -5.672 60.256 -28.453 1.00 98.41 C ATOM 1219 CD PRO B 56 -6.591 61.223 -29.171 1.00 98.41 C ATOM 1220 N CYS B 57 -9.265 57.413 -27.972 1.00 78.69 N ATOM 1221 CA CYS B 57 -10.526 56.944 -27.405 1.00 78.69 C ATOM 1222 C CYS B 57 -10.883 57.734 -26.143 1.00 78.69 C ATOM 1223 O CYS B 57 -9.996 58.151 -25.382 1.00 78.69 O ATOM 1224 CB CYS B 57 -10.456 55.451 -27.080 1.00 95.34 C ATOM 1225 SG CYS B 57 -10.358 55.053 -25.307 1.00 95.34 S ATOM 1226 N THR B 58 -12.181 57.939 -25.925 1.00 88.20 N ATOM 1227 CA THR B 58 -12.658 58.695 -24.764 1.00 88.20 C ATOM 1228 C THR B 58 -12.083 58.207 -23.438 1.00 88.20 C ATOM 1229 O THR B 58 -11.367 58.934 -22.760 1.00 88.20 O ATOM 1230 CB THR B 58 -14.199 58.654 -24.662 1.00109.13 C ATOM 1231 OG1 THR B 58 -14.761 58.993 -25.939 1.00109.13 O ATOM 1232 CG2 THR B 58 -14.700 59.640 -23.592 1.00109.13 C ATOM 1233 N LYS B 59 -12.406 56.976 -23.065 1.00101.70 N ATOM 1234 CA LYS B 59 -11.908 56.423 -21.811 1.00101.70 C ATOM 1235 C LYS B 59 -10.402 56.645 -21.708 1.00101.70 C ATOM 1236 O LYS B 59 -9.888 56.954 -20.624 1.00101.70 O ATOM 1237 CB LYS B 59 -12.240 54.933 -21.727 1.00 99.55 C ATOM 1238 N CYS B 60 -9.706 56.494 -22.839 1.00 93.85 N ATOM 1239 CA CYS B 60 -8.255 56.696 -22.886 1.00 93.85 C ATOM 1240 C CYS B 60 -7.916 58.158 -22.587 1.00 93.85 C ATOM 1241 O CYS B 60 -6.745 58.552 -22.496 1.00 93.85 O ATOM 1242 CB CYS B 60 -7.681 56.275 -24.248 1.00 95.61 C ATOM 1243 SG CYS B 60 -7.454 54.474 -24.443 1.00 95.61 S ATOM 1244 N ALA B 61 -8.967 58.955 -22.440 1.00105.59 N ATOM 1245 CA ALA B 61 -8.818 60.357 -22.100 1.00105.59 C ATOM 1246 C ALA B 61 -8.662 60.366 -20.590 1.00105.59 C ATOM 1247 O ALA B 61 -7.567 60.592 -20.061 1.00105.59 O ATOM 1248 CB ALA B 61 -10.063 61.141 -22.495 1.00 90.68 C ATOM 1249 N LYS B 62 -9.768 60.109 -19.900 1.00 94.99 N ATOM 1250 CA LYS B 62 -9.745 60.084 -18.451 1.00 94.99 C ATOM 1251 C LYS B 62 -8.396 59.514 -18.021 1.00 94.99 C ATOM 1252 O LYS B 62 -7.719 60.069 -17.158 1.00 94.99 O ATOM 1253 CB LYS B 62 -10.891 59.216 -17.918 1.00 88.57 C ATOM 1254 N LYS B 63 -7.995 58.424 -18.669 1.00 86.60 N ATOM 1255 CA LYS B 63 -6.736 57.767 -18.346 1.00 86.60 C ATOM 1256 C LYS B 63 -5.540 58.520 -18.886 1.00 86.60 C ATOM 1257 O LYS B 63 -4.466 58.520 -18.272 1.00 86.60 O ATOM 1258 CB LYS B 63 -6.727 56.334 -18.893 1.00 88.28 C ATOM 1259 N ASN B 64 -5.723 59.163 -20.032 1.00 83.16 N ATOM 1260 CA ASN B 64 -4.627 59.882 -20.653 1.00 83.16 C ATOM 1261 C ASN B 64 -3.507 58.868 -20.807 1.00 83.16 C ATOM 1262 O ASN B 64 -2.549 58.840 -20.031 1.00 83.16 O ATOM 1263 CB ASN B 64 -4.162 61.060 -19.783 1.00111.23 C ATOM 1264 CG ASN B 64 -2.870 61.700 -20.297 1.00111.23 C ATOM 1265 OD1 ASN B 64 -1.765 61.305 -19.907 1.00111.23 O ATOM 1266 ND2 ASN B 64 -3.009 62.680 -21.186 1.00111.23 N ATOM 1267 N VAL B 65 -3.666 58.012 -21.805 1.00 59.87 N ATOM 1268 CA VAL B 65 -2.690 56.986 -22.104 1.00 59.87 C ATOM 1269 C VAL B 65 -2.629 56.839 -23.618 1.00 59.87 C ATOM 1270 O VAL B 65 -3.523 57.299 -24.344 1.00 59.87 O ATOM 1271 CB VAL B 65 -3.098 55.627 -21.499 1.00 94.76 C ATOM 1272 CG1 VAL B 65 -3.237 55.742 -19.999 1.00 94.76 C ATOM 1273 CG2 VAL B 65 -4.415 55.162 -22.110 1.00 94.76 C ATOM 1274 N PRO B 66 -1.562 56.209 -24.118 1.00 93.60 N ATOM 1275 CA PRO B 66 -1.385 55.994 -25.553 1.00 93.60 C ATOM 1276 C PRO B 66 -2.485 55.076 -26.059 1.00 93.60 C ATOM 1277 O PRO B 66 -2.429 53.859 -25.863 1.00 93.60 O ATOM 1278 CB PRO B 66 -0.018 55.331 -25.638 1.00 88.92 C ATOM 1279 CG PRO B 66 0.700 55.901 -24.470 1.00 88.92 C ATOM 1280 CD PRO B 66 -0.342 55.841 -23.384 1.00 88.92 C ATOM 1281 N CYS B 67 -3.486 55.673 -26.699 1.00 76.00 N ATOM 1282 CA CYS B 67 -4.611 54.934 -27.248 1.00 76.00 C ATOM 1283 C CYS B 67 -4.194 54.200 -28.523 1.00 76.00 C ATOM 1284 O CYS B 67 -4.479 54.659 -29.627 1.00 76.00 O ATOM 1285 CB CYS B 67 -5.751 55.906 -27.548 1.00 97.54 C ATOM 1286 SG CYS B 67 -7.274 55.134 -28.060 1.00 97.54 S ATOM 1287 N ILE B 68 -3.509 53.068 -28.363 1.00 67.57 N ATOM 1288 CA ILE B 68 -3.057 52.263 -29.497 1.00 67.57 C ATOM 1289 C ILE B 68 -4.202 51.469 -30.141 1.00 67.57 C ATOM 1290 O ILE B 68 -5.214 51.182 -29.499 1.00 67.57 O ATOM 1291 CB ILE B 68 -1.946 51.315 -29.052 1.00 46.77 C ATOM 1292 N LEU B 69 -4.040 51.128 -31.416 1.00 88.91 N ATOM 1293 CA LEU B 69 -5.049 50.369 -32.157 1.00 88.91 C ATOM 1294 C LEU B 69 -4.414 49.154 -32.823 1.00 88.91 C ATOM 1295 O LEU B 69 -4.136 49.193 -34.023 1.00 88.91 O ATOM 1296 CB LEU B 69 -5.680 51.244 -33.280 1.00 60.25 C ATOM 1297 CG LEU B 69 -6.762 52.263 -32.901 1.00 60.25 C ATOM 1298 CD1 LEU B 69 -8.130 51.610 -32.937 1.00 60.25 C ATOM 1299 CD2 LEU B 69 -6.477 52.874 -31.530 1.00 60.25 C ATOM 1300 N LYS B 70 -4.181 48.081 -32.070 1.00 77.32 N ATOM 1301 CA LYS B 70 -3.575 46.887 -32.661 1.00 77.32 C ATOM 1302 C LYS B 70 -4.616 45.811 -32.925 1.00 77.32 C ATOM 1303 O LYS B 70 -4.730 44.862 -32.158 1.00 77.32 O ATOM 1304 CB LYS B 70 -2.486 46.342 -31.760 1.00 80.42 C ATOM 1305 N ARG B 71 -5.356 45.974 -34.022 1.00 88.66 N ATOM 1306 CA ARG B 71 -6.419 45.064 -34.443 1.00 88.66 C ATOM 1307 C ARG B 71 -6.205 43.598 -34.075 1.00 88.66 C ATOM 1308 O ARG B 71 -7.161 42.827 -33.964 1.00 88.66 O ATOM 1309 CB ARG B 71 -6.627 45.194 -35.940 1.00 80.72 C ATOM 1310 N ASP B 72 -4.950 43.217 -33.881 1.00 98.20 N ATOM 1311 CA ASP B 72 -4.605 41.844 -33.530 1.00 98.20 C ATOM 1312 C ASP B 72 -4.350 41.677 -32.027 1.00 98.20 C ATOM 1313 O ASP B 72 -3.582 40.789 -31.632 1.00 98.20 O ATOM 1314 CB ASP B 72 -3.338 41.448 -34.266 1.00121.91 C ATOM 1315 CG ASP B 72 -2.142 42.254 -33.800 1.00121.91 C ATOM 1316 OD1 ASP B 72 -2.198 43.501 -33.911 1.00121.91 O ATOM 1317 OD2 ASP B 72 -1.161 41.645 -33.313 1.00121.91 O ATOM 1318 N PHE B 73 -4.964 42.528 -31.198 1.00108.94 N ATOM 1319 CA PHE B 73 -4.773 42.458 -29.743 1.00108.94 C ATOM 1320 C PHE B 73 -5.874 41.712 -29.008 1.00108.94 C ATOM 1321 O PHE B 73 -7.032 41.736 -29.415 1.00108.94 O ATOM 1322 CB PHE B 73 -4.655 43.852 -29.123 1.00 68.40 C ATOM 1323 CG PHE B 73 -4.664 43.833 -27.613 1.00 68.40 C ATOM 1324 CD1 PHE B 73 -3.643 43.206 -26.909 1.00 68.40 C ATOM 1325 CD2 PHE B 73 -5.723 44.378 -26.902 1.00 68.40 C ATOM 1326 CE1 PHE B 73 -3.677 43.118 -25.522 1.00 68.40 C ATOM 1327 CE2 PHE B 73 -5.766 44.295 -25.511 1.00 68.40 C ATOM 1328 CZ PHE B 73 -4.740 43.660 -24.821 1.00 68.40 C ATOM 1329 N ARG B 74 -5.500 41.068 -27.906 1.00 90.46 N ATOM 1330 CA ARG B 74 -6.444 40.306 -27.092 1.00 90.46 C ATOM 1331 C ARG B 74 -6.125 40.519 -25.600 1.00 90.46 C ATOM 1332 O ARG B 74 -5.032 40.196 -25.131 1.00 90.46 O ATOM 1333 CB ARG B 74 -6.371 38.814 -27.479 1.00123.71 C ATOM 1334 CG ARG B 74 -5.882 38.571 -28.927 1.00123.71 C ATOM 1335 CD ARG B 74 -6.486 37.332 -29.610 1.00123.71 C ATOM 1336 NE ARG B 74 -5.803 37.019 -30.874 1.00123.71 N ATOM 1337 CZ ARG B 74 -6.217 36.128 -31.778 1.00123.71 C ATOM 1338 NH1 ARG B 74 -7.335 35.436 -31.588 1.00123.71 N ATOM 1339 NH2 ARG B 74 -5.492 35.910 -32.872 1.00123.71 N ATOM 1340 N ARG B 75 -7.084 41.074 -24.865 1.00 85.01 N ATOM 1341 CA ARG B 75 -6.917 41.369 -23.440 1.00 85.01 C ATOM 1342 C ARG B 75 -6.207 40.276 -22.667 1.00 85.01 C ATOM 1343 O ARG B 75 -6.367 39.101 -22.965 1.00 85.01 O ATOM 1344 CB ARG B 75 -8.274 41.611 -22.782 1.00 61.51 C ATOM 1345 CG ARG B 75 -9.054 40.350 -22.516 1.00 61.51 C ATOM 1346 CD ARG B 75 -10.430 40.651 -21.970 1.00 61.51 C ATOM 1347 NE ARG B 75 -10.382 41.434 -20.730 1.00 61.51 N ATOM 1348 CZ ARG B 75 -9.647 41.121 -19.663 1.00 61.51 C ATOM 1349 NH1 ARG B 75 -8.881 40.036 -19.676 1.00 61.51 N ATOM 1350 NH2 ARG B 75 -9.691 41.880 -18.577 1.00 61.51 N ATOM 1351 N THR B 76 -5.426 40.678 -21.670 1.00 58.01 N ATOM 1352 CA THR B 76 -4.698 39.738 -20.821 1.00 58.01 C ATOM 1353 C THR B 76 -5.589 39.432 -19.642 1.00 58.01 C ATOM 1354 O THR B 76 -6.218 40.327 -19.106 1.00 58.01 O ATOM 1355 CB THR B 76 -3.395 40.343 -20.269 1.00 92.77 C ATOM 1356 OG1 THR B 76 -2.546 40.744 -21.354 1.00 92.77 O ATOM 1357 CG2 THR B 76 -2.669 39.319 -19.405 1.00 92.77 C ATOM 1358 N TYR B 77 -5.651 38.178 -19.236 1.00 64.70 N ATOM 1359 CA TYR B 77 -6.502 37.836 -18.128 1.00 64.70 C ATOM 1360 C TYR B 77 -5.748 37.912 -16.829 1.00 64.70 C ATOM 1361 O TYR B 77 -5.462 36.905 -16.193 1.00 64.70 O ATOM 1362 CB TYR B 77 -7.133 36.454 -18.361 1.00 44.94 C ATOM 1363 CG TYR B 77 -8.352 36.639 -19.221 1.00 44.94 C ATOM 1364 CD1 TYR B 77 -8.243 36.941 -20.558 1.00 44.94 C ATOM 1365 CD2 TYR B 77 -9.622 36.534 -18.659 1.00 44.94 C ATOM 1366 CE1 TYR B 77 -9.363 37.196 -21.314 1.00 44.94 C ATOM 1367 CE2 TYR B 77 -10.761 36.792 -19.401 1.00 44.94 C ATOM 1368 CZ TYR B 77 -10.622 37.142 -20.732 1.00 44.94 C ATOM 1369 OH TYR B 77 -11.727 37.451 -21.475 1.00 44.94 O ATOM 1370 N LYS B 78 -5.428 39.146 -16.462 1.00 45.38 N ATOM 1371 CA LYS B 78 -4.694 39.499 -15.241 1.00 45.38 C ATOM 1372 C LYS B 78 -4.834 38.521 -14.066 1.00 45.38 C ATOM 1373 O LYS B 78 -3.889 37.832 -13.683 1.00 45.38 O ATOM 1374 CB LYS B 78 -5.137 40.884 -14.768 1.00 70.43 C ATOM 1375 CG LYS B 78 -5.217 41.911 -15.864 1.00 70.43 C ATOM 1376 CD LYS B 78 -3.861 42.243 -16.431 1.00 70.43 C ATOM 1377 CE LYS B 78 -3.562 43.712 -16.200 1.00 70.43 C ATOM 1378 NZ LYS B 78 -4.766 44.561 -16.482 1.00 70.43 N ATOM 1379 N ARG B 79 -6.018 38.501 -13.476 1.00 47.80 N ATOM 1380 CA ARG B 79 -6.296 37.620 -12.367 1.00 47.80 C ATOM 1381 C ARG B 79 -5.661 36.256 -12.657 1.00 47.80 C ATOM 1382 O ARG B 79 -4.540 35.983 -12.235 1.00 47.80 O ATOM 1383 CB ARG B 79 -7.809 37.475 -12.206 1.00112.34 C ATOM 1384 CG ARG B 79 -8.276 37.424 -10.766 1.00112.34 C ATOM 1385 CD ARG B 79 -8.821 38.765 -10.314 1.00112.34 C ATOM 1386 NE ARG B 79 -10.171 39.013 -10.814 1.00112.34 N ATOM 1387 CZ ARG B 79 -10.910 40.061 -10.467 1.00112.34 C ATOM 1388 NH1 ARG B 79 -10.425 40.956 -9.623 1.00112.34 N ATOM 1389 NH2 ARG B 79 -12.137 40.211 -10.948 1.00112.34 N ATOM 1390 N ALA B 80 -6.388 35.416 -13.389 1.00 75.14 N ATOM 1391 CA ALA B 80 -5.933 34.078 -13.749 1.00 75.14 C ATOM 1392 C ALA B 80 -4.439 34.006 -14.064 1.00 75.14 C ATOM 1393 O ALA B 80 -3.725 33.112 -13.602 1.00 75.14 O ATOM 1394 CB ALA B 80 -6.731 33.583 -14.938 1.00 82.12 C ATOM 1395 N ARG B 81 -3.973 34.948 -14.868 1.00 63.79 N ATOM 1396 CA ARG B 81 -2.568 34.989 -15.244 1.00 63.79 C ATOM 1397 C ARG B 81 -1.675 34.998 -14.009 1.00 63.79 C ATOM 1398 O ARG B 81 -1.073 33.988 -13.654 1.00 63.79 O ATOM 1399 CB ARG B 81 -2.304 36.231 -16.088 1.00 84.89 C ATOM 1400 CG ARG B 81 -0.873 36.414 -16.481 1.00 84.89 C ATOM 1401 CD ARG B 81 -0.138 37.252 -15.474 1.00 84.89 C ATOM 1402 NE ARG B 81 1.245 37.460 -15.887 1.00 84.89 N ATOM 1403 CZ ARG B 81 1.600 37.991 -17.053 1.00 84.89 C ATOM 1404 NH1 ARG B 81 0.668 38.370 -17.918 1.00 84.89 N ATOM 1405 NH2 ARG B 81 2.884 38.132 -17.363 1.00 84.89 N ATOM 1406 N ASN B 82 -1.603 36.149 -13.356 1.00 74.50 N ATOM 1407 CA ASN B 82 -0.790 36.307 -12.162 1.00 74.50 C ATOM 1408 C ASN B 82 -0.944 35.107 -11.242 1.00 74.50 C ATOM 1409 O ASN B 82 0.001 34.719 -10.566 1.00 74.50 O ATOM 1410 CB ASN B 82 -1.195 37.583 -11.421 1.00 95.66 C ATOM 1411 CG ASN B 82 -1.004 38.841 -12.265 1.00 95.66 C ATOM 1412 OD1 ASN B 82 -1.667 39.029 -13.288 1.00 95.66 O ATOM 1413 ND2 ASN B 82 -0.086 39.706 -11.838 1.00 95.66 N ATOM 1414 N GLU B 83 -2.136 34.520 -11.224 1.00 65.65 N ATOM 1415 CA GLU B 83 -2.387 33.364 -10.378 1.00 65.65 C ATOM 1416 C GLU B 83 -1.498 32.202 -10.804 1.00 65.65 C ATOM 1417 O GLU B 83 -0.975 31.456 -9.973 1.00 65.65 O ATOM 1418 CB GLU B 83 -3.852 32.961 -10.460 1.00118.19 C ATOM 1419 CG GLU B 83 -4.246 31.941 -9.421 1.00118.19 C ATOM 1420 CD GLU B 83 -5.745 31.818 -9.292 1.00118.19 C ATOM 1421 OE1 GLU B 83 -6.390 32.792 -8.831 1.00118.19 O ATOM 1422 OE2 GLU B 83 -6.272 30.745 -9.657 1.00118.19 O ATOM 1423 N ALA B 84 -1.342 32.050 -12.112 1.00 75.90 N ATOM 1424 CA ALA B 84 -0.488 31.012 -12.657 1.00 75.90 C ATOM 1425 C ALA B 84 0.922 31.396 -12.227 1.00 75.90 C ATOM 1426 O ALA B 84 1.603 30.625 -11.551 1.00 75.90 O ATOM 1427 CB ALA B 84 -0.596 30.999 -14.165 1.00 72.26 C ATOM 1428 N ILE B 85 1.339 32.602 -12.620 1.00 69.47 N ATOM 1429 CA ILE B 85 2.654 33.138 -12.271 1.00 69.47 C ATOM 1430 C ILE B 85 3.025 32.692 -10.872 1.00 69.47 C ATOM 1431 O ILE B 85 3.946 31.905 -10.688 1.00 69.47 O ATOM 1432 CB ILE B 85 2.671 34.679 -12.233 1.00 83.96 C ATOM 1433 CG1 ILE B 85 2.377 35.265 -13.614 1.00 83.96 C ATOM 1434 CG2 ILE B 85 4.018 35.158 -11.723 1.00 83.96 C ATOM 1435 CD1 ILE B 85 3.597 35.452 -14.501 1.00 81.84 C ATOM 1436 N GLU B 86 2.290 33.196 -9.885 1.00 71.79 N ATOM 1437 CA GLU B 86 2.566 32.852 -8.501 1.00 71.79 C ATOM 1438 C GLU B 86 2.750 31.361 -8.301 1.00 71.79 C ATOM 1439 O GLU B 86 3.676 30.939 -7.616 1.00 71.79 O ATOM 1440 CB GLU B 86 1.463 33.336 -7.565 1.00112.34 C ATOM 1441 CG GLU B 86 1.832 33.104 -6.108 1.00112.34 C ATOM 1442 CD GLU B 86 0.840 33.697 -5.135 1.00112.34 C ATOM 1443 OE1 GLU B 86 0.415 34.850 -5.359 1.00112.34 O ATOM 1444 OE2 GLU B 86 0.503 33.015 -4.142 1.00112.34 O ATOM 1445 N LYS B 87 1.872 30.556 -8.885 1.00 66.46 N ATOM 1446 CA LYS B 87 2.013 29.117 -8.730 1.00 66.46 C ATOM 1447 C LYS B 87 3.382 28.690 -9.244 1.00 66.46 C ATOM 1448 O LYS B 87 4.121 27.996 -8.552 1.00 66.46 O ATOM 1449 CB LYS B 87 0.912 28.380 -9.485 1.00104.68 C ATOM 1450 CG LYS B 87 1.051 26.872 -9.433 1.00104.68 C ATOM 1451 CD LYS B 87 -0.164 26.178 -10.047 1.00104.68 C ATOM 1452 CE LYS B 87 0.175 24.760 -10.539 1.00104.68 C ATOM 1453 NZ LYS B 87 1.084 24.758 -11.741 1.00104.68 N ATOM 1454 N ARG B 88 3.727 29.116 -10.453 1.00 94.26 N ATOM 1455 CA ARG B 88 5.024 28.766 -11.027 1.00 94.26 C ATOM 1456 C ARG B 88 6.141 29.230 -10.101 1.00 94.26 C ATOM 1457 O ARG B 88 6.843 28.415 -9.503 1.00 94.26 O ATOM 1458 CB ARG B 88 5.178 29.385 -12.426 1.00129.71 C ATOM 1459 CG ARG B 88 4.177 28.811 -13.431 1.00129.71 C ATOM 1460 CD ARG B 88 4.498 29.158 -14.881 1.00129.71 C ATOM 1461 NE ARG B 88 4.146 30.532 -15.229 1.00129.71 N ATOM 1462 CZ ARG B 88 4.071 30.990 -16.477 1.00129.71 C ATOM 1463 NH1 ARG B 88 4.323 30.183 -17.501 1.00129.71 N ATOM 1464 NH2 ARG B 88 3.740 32.257 -16.705 1.00129.71 N ATOM 1465 N PHE B 89 6.295 30.541 -9.979 1.00 70.14 N ATOM 1466 CA PHE B 89 7.306 31.110 -9.100 1.00 70.14 C ATOM 1467 C PHE B 89 7.438 30.296 -7.813 1.00 70.14 C ATOM 1468 O PHE B 89 8.528 30.161 -7.273 1.00 70.14 O ATOM 1469 CB PHE B 89 6.932 32.546 -8.751 1.00 83.29 C ATOM 1470 CG PHE B 89 7.881 33.206 -7.801 1.00 83.29 C ATOM 1471 CD1 PHE B 89 9.018 33.860 -8.276 1.00 83.29 C ATOM 1472 CD2 PHE B 89 7.644 33.172 -6.429 1.00 83.29 C ATOM 1473 CE1 PHE B 89 9.909 34.474 -7.400 1.00 83.29 C ATOM 1474 CE2 PHE B 89 8.526 33.782 -5.540 1.00 83.29 C ATOM 1475 CZ PHE B 89 9.664 34.435 -6.027 1.00 83.29 C ATOM 1476 N LYS B 90 6.328 29.755 -7.321 1.00103.68 N ATOM 1477 CA LYS B 90 6.374 28.958 -6.095 1.00103.68 C ATOM 1478 C LYS B 90 7.339 27.798 -6.283 1.00103.68 C ATOM 1479 O LYS B 90 8.476 27.856 -5.815 1.00103.68 O ATOM 1480 CB LYS B 90 4.976 28.427 -5.723 1.00 79.93 C ATOM 1481 N GLU B 91 6.883 26.756 -6.977 1.00 77.98 N ATOM 1482 CA GLU B 91 7.707 25.576 -7.231 1.00 77.98 C ATOM 1483 C GLU B 91 9.182 25.948 -7.267 1.00 77.98 C ATOM 1484 O GLU B 91 9.960 25.501 -6.424 1.00 77.98 O ATOM 1485 CB GLU B 91 7.305 24.925 -8.551 1.00 72.94 C ATOM 1486 N LEU B 92 9.556 26.779 -8.240 1.00106.59 N ATOM 1487 CA LEU B 92 10.945 27.212 -8.384 1.00106.59 C ATOM 1488 C LEU B 92 11.619 27.330 -7.016 1.00106.59 C ATOM 1489 O LEU B 92 12.712 26.797 -6.814 1.00106.59 O ATOM 1490 CB LEU B 92 11.020 28.547 -9.134 1.00 78.72 C ATOM 1491 N THR B 93 10.974 28.016 -6.076 1.00 99.95 N ATOM 1492 CA THR B 93 11.556 28.140 -4.745 1.00 99.95 C ATOM 1493 C THR B 93 11.679 26.746 -4.128 1.00 99.95 C ATOM 1494 O THR B 93 12.751 26.367 -3.656 1.00 99.95 O ATOM 1495 CB THR B 93 10.711 29.052 -3.805 1.00115.68 C ATOM 1496 OG1 THR B 93 9.535 28.360 -3.354 1.00115.68 O ATOM 1497 CG2 THR B 93 10.309 30.329 -4.540 1.00115.68 C ATOM 1498 N ARG B 94 10.591 25.978 -4.140 1.00110.28 N ATOM 1499 CA ARG B 94 10.625 24.626 -3.591 1.00110.28 C ATOM 1500 C ARG B 94 11.711 23.814 -4.298 1.00110.28 C ATOM 1501 O ARG B 94 12.126 22.762 -3.807 1.00110.28 O ATOM 1502 CB ARG B 94 9.272 23.948 -3.746 1.00 78.96 C ATOM 1503 N THR B 95 12.160 24.289 -5.460 1.00 95.68 N ATOM 1504 CA THR B 95 13.239 23.611 -6.183 1.00 95.68 C ATOM 1505 C THR B 95 14.501 23.984 -5.411 1.00 95.68 C ATOM 1506 O THR B 95 15.292 23.123 -5.018 1.00 95.68 O ATOM 1507 CB THR B 95 13.336 24.117 -7.631 1.00 60.94 C ATOM 1508 N LEU B 96 14.659 25.286 -5.186 1.00108.70 N ATOM 1509 CA LEU B 96 15.794 25.828 -4.449 1.00108.70 C ATOM 1510 C LEU B 96 15.833 25.219 -3.048 1.00108.70 C ATOM 1511 O LEU B 96 16.846 25.301 -2.353 1.00108.70 O ATOM 1512 CB LEU B 96 15.678 27.353 -4.361 1.00 89.01 C ATOM 1513 N THR B 97 14.717 24.616 -2.644 1.00110.06 N ATOM 1514 CA THR B 97 14.614 23.971 -1.339 1.00110.06 C ATOM 1515 C THR B 97 15.418 22.676 -1.429 1.00110.06 C ATOM 1516 O THR B 97 15.579 21.946 -0.444 1.00110.06 O ATOM 1517 CB THR B 97 13.149 23.600 -0.994 1.00116.96 C ATOM 1518 OG1 THR B 97 12.302 24.745 -1.151 1.00116.96 O ATOM 1519 CG2 THR B 97 13.049 23.105 0.443 1.00116.96 C ATOM 1520 N ASN B 98 15.910 22.394 -2.631 1.00117.67 N ATOM 1521 CA ASN B 98 16.697 21.198 -2.884 1.00117.67 C ATOM 1522 C ASN B 98 18.016 21.573 -3.557 1.00117.67 C ATOM 1523 O ASN B 98 19.052 21.710 -2.894 1.00117.67 O ATOM 1524 CB ASN B 98 15.904 20.232 -3.769 1.00 82.52 C ATOM 1525 N LEU B 99 17.963 21.744 -4.876 1.00 91.32 N ATOM 1526 CA LEU B 99 19.142 22.105 -5.659 1.00 91.32 C ATOM 1527 C LEU B 99 19.801 23.355 -5.081 1.00 91.32 C ATOM 1528 O LEU B 99 19.186 23.957 -4.173 1.00 86.12 O ATOM 1529 CB LEU B 99 18.749 22.340 -7.129 1.00 57.77 C TER 1530 LEU B 99 HETATM 1531 ZN ZN A 104 -18.003 38.218 6.527 1.00 96.84 ZN HETATM 1532 ZN ZN A 105 -18.214 41.149 6.231 1.00 87.46 ZN HETATM 1533 ZN ZN B 104 -8.756 54.302 -26.579 1.00 84.78 ZN HETATM 1534 ZN ZN B 105 -11.407 53.021 -26.245 1.00 83.91 ZN HETATM 1535 O HOH C 16 -7.858 50.845 7.549 1.00 90.23 O HETATM 1536 O HOH C 17 -19.278 50.494 -5.658 1.00 86.71 O HETATM 1537 O HOH D 1 -16.010 36.769 -26.979 1.00 76.86 O HETATM 1538 O HOH D 2 -9.754 37.305 -30.170 1.00100.76 O HETATM 1539 O HOH A 3 -3.009 39.490 7.988 1.00 85.44 O HETATM 1540 O HOH A 9 14.623 37.214 -9.368 1.00142.09 O HETATM 1541 O HOH A 12 -1.267 41.479 7.001 1.00142.03 O HETATM 1542 O HOH A 13 6.262 37.491 -0.878 1.00 87.54 O HETATM 1543 O HOH B 5 -8.788 43.970 -17.091 1.00100.30 O HETATM 1544 O HOH B 6 -5.894 51.844 -26.237 1.00 94.84 O HETATM 1545 O HOH B 7 -13.940 56.724 -27.127 1.00 92.16 O HETATM 1546 O HOH B 10 -8.579 34.918 -34.703 1.00100.67 O HETATM 1547 O HOH B 11 -11.276 61.900 -27.970 1.00118.77 O CONECT 632 1531 1532 CONECT 654 1532 CONECT 709 1532 CONECT 765 1531 1532 CONECT 783 1531 CONECT 826 1531 CONECT 1092 1533 1534 CONECT 1114 1534 CONECT 1169 1534 CONECT 1225 1533 1534 CONECT 1243 1533 CONECT 1286 1533 CONECT 1531 632 765 783 826 CONECT 1532 632 654 709 765 CONECT 1533 1092 1225 1243 1286 CONECT 1534 1092 1114 1169 1225 MASTER 422 0 4 6 0 0 8 6 1543 4 16 16 END
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Related entries of code: 2erg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2ere
RCSB PDB
PDBbind
15aa, >2ERE_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2ere
RCSB PDB
PDBbind
15mer DNA duplex
Entry Information
PDB ID
2erg
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Regulatory protein LEU3
Ligand Name
15mer DNA duplex
EC.Number
E.C.-.-.-.-
Resolution
3.15(Å)
Affinity (Kd/Ki/IC50)
Kd=25nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Structure. (2006) 14, pp. 725-735
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):
P08638
Entrez Gene ID
NCBI Entrez Gene ID:
851172
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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