Browse entries in the PDBbind-CN Database
HEADER PROTEIN BINDING 25-NOV-05 2C7M TITLE HUMAN RABEX-5 RESIDUES 1-74 IN COMPLEX WITH UBIQUITIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: TWO UBIQUTIN BINDING DOMAINS, RESIDUES 1-74; COMPND 5 SYNONYM: RABEX-5, GEF 1; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: UBIQUITIN; COMPND 9 CHAIN: B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 MOL_ID: 2; SOURCE 8 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 9 ORGANISM_COMMON: BOVINE; SOURCE 10 ORGANISM_TAXID: 9913; SOURCE 11 OTHER_DETAILS: BOSTON BIOCHEM KEYWDS PROTEIN-BINDING, UBIQUITIN COMPLEX, UBIQUITIN BINDING DOMAIN, KEYWDS 2 ENDOCYTOSIS, NUCLEAR PROTEIN, POLYPROTEIN, UBL CONJUGATION, PROTEIN KEYWDS 3 BINDING EXPDTA X-RAY DIFFRACTION AUTHOR L.PENENGO,M.MAPELLI,A.G.MURACHELLI,S.CONFALIONERI,L.MAGRI, AUTHOR 2 A.MUSACCHIO,P.P.DI FIORE,S.POLO,T.R.SCHNEIDER REVDAT 6 08-MAY-19 2C7M 1 REMARK REVDAT 5 13-JUN-18 2C7M 1 TITLE JRNL REMARK REVDAT 4 24-FEB-09 2C7M 1 VERSN REVDAT 3 29-MAR-06 2C7M 1 JRNL REVDAT 2 01-MAR-06 2C7M 1 AUTHOR JRNL REVDAT 1 15-FEB-06 2C7M 0 JRNL AUTH L.PENENGO,M.MAPELLI,A.G.MURACHELLI,S.CONFALONIERI,L.MAGRI, JRNL AUTH 2 A.MUSACCHIO,P.P.DI FIORE,S.POLO,T.R.SCHNEIDER JRNL TITL CRYSTAL STRUCTURE OF THE UBIQUITIN BINDING DOMAINS OF JRNL TITL 2 RABEX-5 REVEALS TWO MODES OF INTERACTION WITH UBIQUITIN. JRNL REF CELL V. 124 1183 2006 JRNL REFN ISSN 0092-8674 JRNL PMID 16499958 JRNL DOI 10.1016/J.CELL.2006.02.020 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.67 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 7655 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.184 REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 392 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.46 REMARK 3 REFLECTION IN BIN (WORKING SET) : 417 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2380 REMARK 3 BIN FREE R VALUE SET COUNT : 26 REMARK 3 BIN FREE R VALUE : 0.3340 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1070 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 37 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 66.85 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -4.64000 REMARK 3 B22 (A**2) : -4.64000 REMARK 3 B33 (A**2) : 6.95000 REMARK 3 B12 (A**2) : -2.32000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.262 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.199 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.168 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.866 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1088 ; 0.029 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1462 ; 2.380 ; 1.965 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 129 ; 6.924 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 56 ;35.947 ;25.179 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 212 ;19.987 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 7 ;24.842 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 155 ; 0.162 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 821 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 398 ; 0.226 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 720 ; 0.312 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 39 ; 0.167 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 33 ; 0.169 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 7 ; 0.089 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 683 ; 1.306 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1046 ; 2.068 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 483 ; 3.979 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 416 ; 6.065 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 3 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 1 B 73 REMARK 3 ORIGIN FOR THE GROUP (A): 22.0590 14.3470 18.0530 REMARK 3 T TENSOR REMARK 3 T11: -0.2579 T22: -0.1325 REMARK 3 T33: -0.1985 T12: 0.0039 REMARK 3 T13: -0.0941 T23: -0.0645 REMARK 3 L TENSOR REMARK 3 L11: 11.5810 L22: 5.5790 REMARK 3 L33: 6.0194 L12: 0.3270 REMARK 3 L13: -1.8505 L23: 2.3088 REMARK 3 S TENSOR REMARK 3 S11: -0.1043 S12: -0.8194 S13: 0.6825 REMARK 3 S21: 0.5793 S22: 0.0637 S23: -0.3693 REMARK 3 S31: 0.0125 S32: 0.4354 S33: 0.0407 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 18 A 39 REMARK 3 ORIGIN FOR THE GROUP (A): 40.0410 11.3680 10.0760 REMARK 3 T TENSOR REMARK 3 T11: -0.2148 T22: 0.2136 REMARK 3 T33: 0.2582 T12: -0.0317 REMARK 3 T13: -0.0873 T23: -0.1450 REMARK 3 L TENSOR REMARK 3 L11: 21.5103 L22: 3.3604 REMARK 3 L33: 9.2796 L12: -0.4141 REMARK 3 L13: 6.0266 L23: -1.6423 REMARK 3 S TENSOR REMARK 3 S11: -0.2477 S12: 1.0629 S13: 0.6526 REMARK 3 S21: -0.4938 S22: 0.1376 S23: -0.7555 REMARK 3 S31: 0.0292 S32: 1.0855 S33: 0.1101 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 40 A 75 REMARK 3 ORIGIN FOR THE GROUP (A): 66.3220 6.1470 26.9930 REMARK 3 T TENSOR REMARK 3 T11: -0.1399 T22: -0.2962 REMARK 3 T33: -0.2530 T12: -0.0287 REMARK 3 T13: 0.0653 T23: -0.0138 REMARK 3 L TENSOR REMARK 3 L11: 52.4317 L22: 2.1364 REMARK 3 L33: 18.3496 L12: -3.6484 REMARK 3 L13: 25.4856 L23: -1.7316 REMARK 3 S TENSOR REMARK 3 S11: 0.7266 S12: -0.0299 S13: -1.0441 REMARK 3 S21: -0.0002 S22: -0.2880 S23: 0.1608 REMARK 3 S31: 0.3688 S32: 0.2154 S33: -0.4386 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. REMARK 4 REMARK 4 2C7M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 25-NOV-05. REMARK 100 THE DEPOSITION ID IS D_1290026558. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-SEP-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8066 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -4.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 200 DATA REDUNDANCY : 18.50 REMARK 200 R MERGE (I) : 0.04000 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 43.1100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.9 REMARK 200 DATA REDUNDANCY IN SHELL : 6.00 REMARK 200 R MERGE FOR SHELL (I) : 0.22000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 6.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: HKL2MAP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SITTING DROP 300 NL PLUS 300 NL 20 REMARK 280 MG/ML PROTEIN SOLUTION 0.2 M LIS2SO4, 0.1 MES PH 6.5 25% PEG3350, REMARK 280 PH 6.50, VAPOR DIFFUSION, SITTING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 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 18.36667 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 36.73333 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 27.55000 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 45.91667 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 9.18333 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: THE QUATERNARY STRUCTURE FOR THIS ENTRY IS REMARK 300 NOT RELEVANTSINCE THE COMPLEX IS ONLY MADE UP OF REMARK 300 FRAGMENTS OF RABEX-5IN COMPLEX WITH UBIQUITIN. REMARK 300 HOWEVER, THESE REMARKSONLY INDICATE THE COMPLEX AS REMARK 300 SEEN IN THE PDB FILE, ANDDO NOT HAVE RELEVANCE REMARK 300 TO THE BIOLOGICAL STATE OF THEMOLECULE. 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 MET A 2 REMARK 465 SER A 3 REMARK 465 LEU A 4 REMARK 465 LYS A 5 REMARK 465 SER A 6 REMARK 465 GLU A 7 REMARK 465 ARG A 8 REMARK 465 ARG A 9 REMARK 465 GLY A 10 REMARK 465 ILE A 11 REMARK 465 HIS A 12 REMARK 465 VAL A 13 REMARK 465 ASP A 14 REMARK 465 GLN A 15 REMARK 465 SER A 16 REMARK 465 ASP A 17 REMARK 465 GLY B 75 REMARK 465 GLY B 76 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 ARG B 74 CA C O CB CG CD NE REMARK 470 ARG B 74 CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH B 2016 O HOH B 2017 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 65 CG GLU A 65 CD 0.092 REMARK 500 GLU B 16 CD GLU B 16 OE1 0.076 REMARK 500 GLU B 16 CD GLU B 16 OE2 0.070 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 18 CA - CB - CG ANGL. DEV. = 17.7 DEGREES REMARK 500 ARG A 48 CB - CA - C ANGL. DEV. = 13.1 DEGREES REMARK 500 LEU A 62 CB - CG - CD2 ANGL. DEV. = -14.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 20 131.20 -39.84 REMARK 500 PRO B 38 -35.34 -39.08 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 500 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 20 SG REMARK 620 2 CYS A 24 SG 129.6 REMARK 620 3 CYS A 36 SG 112.2 93.1 REMARK 620 4 CYS A 39 SG 114.6 100.0 102.8 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 500 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AAR RELATED DB: PDB REMARK 900 DI-UBIQUITIN REMARK 900 RELATED ID: 1E0Q RELATED DB: PDB REMARK 900 MUTANT PEPTIDE FROM THE FIRST N-TERMINAL 17 AMINO-ACID OF UBIQUITIN REMARK 900 RELATED ID: 1P3Q RELATED DB: PDB REMARK 900 MECHANISM OF UBIQUITIN RECOGNITION BY THE CUE DOMAIN OF VPS9 REMARK 900 RELATED ID: 1UZX RELATED DB: PDB REMARK 900 A COMPLEX OF THE VPS23 UEV WITH UBIQUITIN REMARK 900 RELATED ID: 1V80 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURES OF UBIQUITIN AT 30 BAR AND 3 KBAR REMARK 900 RELATED ID: 1V81 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURES OF UBIQUITIN AT 30 BAR AND 3 KBAR REMARK 900 RELATED ID: 1WR6 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GGA3 GAT DOMAIN IN COMPLEX WITHUBIQUITIN REMARK 900 RELATED ID: 1WRD RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TOM1 GAT DOMAIN IN COMPLEX WITHUBIQUITIN REMARK 900 RELATED ID: 1YD8 RELATED DB: PDB REMARK 900 COMPLEX OF HUMAN GGA3 GAT DOMAIN AND UBIQUITIN REMARK 900 RELATED ID: 2BGF RELATED DB: PDB REMARK 900 NMR STRUCTURE OF LYS48-LINKED DI-UBIQUITIN USING CHEMICAL SHIFT REMARK 900 PERTURBATION DATA TOGETHER WITH RDCS AND 15N-RELAXATION DATA REMARK 900 RELATED ID: 2C7N RELATED DB: PDB REMARK 900 HUMAN RABEX-5 RESIDUES 1-74 IN COMPLEX WITH UBIQUITIN DBREF 2C7M A 2 75 UNP Q53FG0 Q53FG0_HUMAN 1 74 DBREF 2C7M B 1 76 UNP P62990 UBIQ_BOVIN 1 76 SEQRES 1 A 74 MET SER LEU LYS SER GLU ARG ARG GLY ILE HIS VAL ASP SEQRES 2 A 74 GLN SER ASP LEU LEU CYS LYS LYS GLY CYS GLY TYR TYR SEQRES 3 A 74 GLY ASN PRO ALA TRP GLN GLY PHE CYS SER LYS CYS TRP SEQRES 4 A 74 ARG GLU GLU TYR HIS LYS ALA ARG GLN LYS GLN ILE GLN SEQRES 5 A 74 GLU ASP TRP GLU LEU ALA GLU ARG LEU GLN ARG GLU GLU SEQRES 6 A 74 GLU GLU ALA PHE ALA SER SER GLN SER SEQRES 1 B 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 B 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 B 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 B 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 B 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 B 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY HET ZN A 500 1 HETNAM ZN ZINC ION FORMUL 3 ZN ZN 2+ FORMUL 4 HOH *37(H2 O) HELIX 1 1 ASN A 29 GLN A 33 5 5 HELIX 2 2 CYS A 36 SER A 75 1 40 HELIX 3 3 THR B 22 GLY B 35 1 14 HELIX 4 4 PRO B 37 ASP B 39 5 3 HELIX 5 5 LEU B 56 ASN B 60 5 5 SHEET 1 BA 5 THR B 12 GLU B 16 0 SHEET 2 BA 5 GLN B 2 LYS B 6 -1 O ILE B 3 N LEU B 15 SHEET 3 BA 5 THR B 66 LEU B 71 1 O LEU B 67 N LYS B 6 SHEET 4 BA 5 GLN B 41 PHE B 45 -1 O ARG B 42 N VAL B 70 SHEET 5 BA 5 LYS B 48 GLN B 49 -1 O LYS B 48 N PHE B 45 LINK ZN ZN A 500 SG CYS A 20 1555 1555 2.25 LINK ZN ZN A 500 SG CYS A 24 1555 1555 2.65 LINK ZN ZN A 500 SG CYS A 36 1555 1555 2.54 LINK ZN ZN A 500 SG CYS A 39 1555 1555 2.29 SITE 1 AC1 4 CYS A 20 CYS A 24 CYS A 36 CYS A 39 CRYST1 81.900 81.900 55.100 90.00 90.00 120.00 P 61 6 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 0.012210 0.007049 0.000000 0.00000 SCALE2 0.000000 0.014099 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018149 0.00000 ATOM 1 N LEU A 18 38.349 16.860 2.310 1.00 63.42 N ATOM 2 CA LEU A 18 36.990 16.217 2.432 1.00 62.68 C ATOM 3 C LEU A 18 36.982 15.029 3.422 1.00 62.73 C ATOM 4 O LEU A 18 36.956 15.174 4.660 1.00 62.21 O ATOM 5 CB LEU A 18 36.464 15.748 1.033 1.00 63.07 C ATOM 6 CG LEU A 18 37.159 15.553 -0.365 1.00 63.75 C ATOM 7 CD1 LEU A 18 38.649 14.884 -0.430 1.00 62.66 C ATOM 8 CD2 LEU A 18 36.143 14.952 -1.454 1.00 62.30 C ATOM 9 N LEU A 19 37.039 13.841 2.834 1.00 62.89 N ATOM 10 CA LEU A 19 36.946 12.549 3.512 1.00 63.13 C ATOM 11 C LEU A 19 38.269 12.142 4.155 1.00 62.56 C ATOM 12 O LEU A 19 39.315 12.502 3.658 1.00 63.15 O ATOM 13 CB LEU A 19 36.582 11.477 2.472 1.00 63.74 C ATOM 14 CG LEU A 19 35.253 11.649 1.728 1.00 64.91 C ATOM 15 CD1 LEU A 19 35.450 11.981 0.209 1.00 66.81 C ATOM 16 CD2 LEU A 19 34.441 10.406 1.914 1.00 64.33 C ATOM 17 N CYS A 20 38.205 11.356 5.234 1.00 61.41 N ATOM 18 CA CYS A 20 39.361 10.827 5.966 1.00 60.35 C ATOM 19 C CYS A 20 40.509 10.380 5.078 1.00 60.74 C ATOM 20 O CYS A 20 40.294 9.621 4.110 1.00 59.68 O ATOM 21 CB CYS A 20 38.917 9.636 6.808 1.00 60.07 C ATOM 22 SG CYS A 20 40.184 8.993 7.819 1.00 58.63 S ATOM 23 N LYS A 21 41.727 10.829 5.414 1.00 61.32 N ATOM 24 CA LYS A 21 42.881 10.536 4.554 1.00 62.47 C ATOM 25 C LYS A 21 43.348 9.060 4.597 1.00 63.15 C ATOM 26 O LYS A 21 43.971 8.632 3.615 1.00 63.17 O ATOM 27 CB LYS A 21 44.022 11.599 4.579 1.00 61.49 C ATOM 28 CG LYS A 21 44.909 11.594 5.812 1.00 62.23 C ATOM 29 CD LYS A 21 46.076 12.656 5.766 1.00 63.30 C ATOM 30 CE LYS A 21 47.497 11.988 5.640 1.00 66.35 C ATOM 31 NZ LYS A 21 48.668 12.855 5.196 1.00 62.83 N ATOM 32 N LYS A 22 43.005 8.274 5.645 1.00 63.47 N ATOM 33 CA LYS A 22 43.235 6.801 5.576 1.00 64.17 C ATOM 34 C LYS A 22 42.241 6.115 4.609 1.00 64.64 C ATOM 35 O LYS A 22 42.404 4.936 4.277 1.00 65.29 O ATOM 36 CB LYS A 22 43.251 6.072 6.939 1.00 64.28 C ATOM 37 CG LYS A 22 44.396 6.355 7.928 1.00 66.16 C ATOM 38 CD LYS A 22 45.779 5.668 7.617 1.00 70.42 C ATOM 39 CE LYS A 22 47.013 6.603 7.950 1.00 68.04 C ATOM 40 NZ LYS A 22 48.405 6.001 7.792 1.00 69.83 N ATOM 41 N GLY A 23 41.209 6.840 4.158 1.00 64.97 N ATOM 42 CA GLY A 23 40.302 6.339 3.105 1.00 64.21 C ATOM 43 C GLY A 23 39.167 5.501 3.658 1.00 63.72 C ATOM 44 O GLY A 23 38.541 4.720 2.941 1.00 63.80 O ATOM 45 N CYS A 24 38.983 5.660 4.952 1.00 62.61 N ATOM 46 CA CYS A 24 37.963 5.121 5.824 1.00 62.86 C ATOM 47 C CYS A 24 36.516 5.120 5.323 1.00 62.52 C ATOM 48 O CYS A 24 35.672 4.257 5.708 1.00 60.77 O ATOM 49 CB CYS A 24 37.945 6.145 6.948 1.00 63.36 C ATOM 50 SG CYS A 24 37.395 5.602 8.482 1.00 69.72 S ATOM 51 N GLY A 25 36.193 6.166 4.564 1.00 62.15 N ATOM 52 CA GLY A 25 34.804 6.456 4.289 1.00 62.77 C ATOM 53 C GLY A 25 34.152 7.444 5.241 1.00 62.95 C ATOM 54 O GLY A 25 33.149 8.068 4.893 1.00 64.25 O ATOM 55 N TYR A 26 34.684 7.615 6.431 1.00 62.94 N ATOM 56 CA TYR A 26 34.243 8.765 7.251 1.00 63.11 C ATOM 57 C TYR A 26 34.896 10.093 6.864 1.00 63.58 C ATOM 58 O TYR A 26 35.844 10.100 6.045 1.00 63.80 O ATOM 59 CB TYR A 26 34.421 8.521 8.722 1.00 61.61 C ATOM 60 CG TYR A 26 33.499 7.486 9.271 1.00 62.83 C ATOM 61 CD1 TYR A 26 32.234 7.840 9.808 1.00 62.40 C ATOM 62 CD2 TYR A 26 33.882 6.148 9.289 1.00 63.23 C ATOM 63 CE1 TYR A 26 31.371 6.874 10.299 1.00 59.81 C ATOM 64 CE2 TYR A 26 33.050 5.172 9.820 1.00 63.27 C ATOM 65 CZ TYR A 26 31.795 5.543 10.333 1.00 62.17 C ATOM 66 OH TYR A 26 31.009 4.559 10.875 1.00 60.42 O ATOM 67 N TYR A 27 34.360 11.197 7.412 1.00 63.38 N ATOM 68 CA TYR A 27 34.982 12.486 7.245 1.00 64.58 C ATOM 69 C TYR A 27 36.142 12.748 8.207 1.00 65.87 C ATOM 70 O TYR A 27 36.069 12.504 9.405 1.00 65.71 O ATOM 71 CB TYR A 27 33.974 13.592 7.388 1.00 64.11 C ATOM 72 CG TYR A 27 33.054 13.590 6.268 1.00 63.26 C ATOM 73 CD1 TYR A 27 33.348 14.297 5.130 1.00 61.73 C ATOM 74 CD2 TYR A 27 31.879 12.840 6.313 1.00 65.60 C ATOM 75 CE1 TYR A 27 32.500 14.290 4.030 1.00 61.42 C ATOM 76 CE2 TYR A 27 30.994 12.828 5.202 1.00 62.67 C ATOM 77 CZ TYR A 27 31.332 13.565 4.062 1.00 62.57 C ATOM 78 OH TYR A 27 30.499 13.598 2.952 1.00 63.69 O ATOM 79 N GLY A 28 37.221 13.295 7.666 1.00 67.05 N ATOM 80 CA GLY A 28 38.320 13.650 8.518 1.00 67.02 C ATOM 81 C GLY A 28 38.042 15.035 9.075 1.00 67.77 C ATOM 82 O GLY A 28 37.313 15.803 8.422 1.00 66.08 O ATOM 83 N ASN A 29 38.696 15.340 10.224 1.00 67.71 N ATOM 84 CA ASN A 29 38.625 16.595 10.955 1.00 67.57 C ATOM 85 C ASN A 29 39.908 17.432 10.745 1.00 67.38 C ATOM 86 O ASN A 29 40.975 16.993 11.121 1.00 67.74 O ATOM 87 CB ASN A 29 38.507 16.225 12.455 1.00 67.81 C ATOM 88 CG ASN A 29 38.184 17.420 13.366 1.00 66.61 C ATOM 89 OD1 ASN A 29 38.178 18.570 12.949 1.00 68.32 O ATOM 90 ND2 ASN A 29 37.909 17.129 14.618 1.00 65.97 N ATOM 91 N PRO A 30 39.811 18.651 10.170 1.00 66.89 N ATOM 92 CA PRO A 30 40.966 19.564 10.090 1.00 66.13 C ATOM 93 C PRO A 30 41.854 19.606 11.345 1.00 65.31 C ATOM 94 O PRO A 30 43.067 19.704 11.203 1.00 64.43 O ATOM 95 CB PRO A 30 40.326 20.944 9.893 1.00 66.06 C ATOM 96 CG PRO A 30 39.025 20.680 9.264 1.00 66.72 C ATOM 97 CD PRO A 30 38.610 19.229 9.544 1.00 67.36 C ATOM 98 N ALA A 31 41.254 19.548 12.544 1.00 65.39 N ATOM 99 CA ALA A 31 41.996 19.603 13.839 1.00 65.20 C ATOM 100 C ALA A 31 42.762 18.320 14.106 1.00 65.79 C ATOM 101 O ALA A 31 43.656 18.307 14.976 1.00 66.34 O ATOM 102 CB ALA A 31 41.086 19.962 15.069 1.00 65.13 C ATOM 103 N TRP A 32 42.459 17.262 13.343 1.00 65.24 N ATOM 104 CA TRP A 32 43.217 16.027 13.399 1.00 65.10 C ATOM 105 C TRP A 32 44.012 15.680 12.105 1.00 64.77 C ATOM 106 O TRP A 32 44.039 14.537 11.714 1.00 64.39 O ATOM 107 CB TRP A 32 42.261 14.894 13.762 1.00 65.27 C ATOM 108 CG TRP A 32 41.442 15.073 15.041 1.00 65.79 C ATOM 109 CD1 TRP A 32 41.841 15.696 16.202 1.00 67.65 C ATOM 110 CD2 TRP A 32 40.121 14.563 15.312 1.00 65.71 C ATOM 111 NE1 TRP A 32 40.836 15.639 17.156 1.00 66.23 N ATOM 112 CE2 TRP A 32 39.780 14.940 16.637 1.00 66.93 C ATOM 113 CE3 TRP A 32 39.174 13.863 14.554 1.00 67.19 C ATOM 114 CZ2 TRP A 32 38.521 14.641 17.207 1.00 67.71 C ATOM 115 CZ3 TRP A 32 37.948 13.563 15.134 1.00 65.58 C ATOM 116 CH2 TRP A 32 37.632 13.957 16.439 1.00 64.89 C ATOM 117 N GLN A 33 44.683 16.641 11.473 1.00 65.13 N ATOM 118 CA GLN A 33 45.449 16.417 10.195 1.00 66.45 C ATOM 119 C GLN A 33 44.673 15.705 9.063 1.00 66.35 C ATOM 120 O GLN A 33 45.263 15.053 8.185 1.00 67.96 O ATOM 121 CB GLN A 33 46.797 15.679 10.385 1.00 65.88 C ATOM 122 CG GLN A 33 47.751 16.249 11.437 1.00 68.02 C ATOM 123 CD GLN A 33 49.094 15.456 11.557 1.00 68.96 C ATOM 124 OE1 GLN A 33 49.482 14.644 10.684 1.00 71.17 O ATOM 125 NE2 GLN A 33 49.796 15.699 12.650 1.00 72.54 N ATOM 126 N GLY A 34 43.365 15.807 9.057 1.00 65.00 N ATOM 127 CA GLY A 34 42.640 15.239 7.923 1.00 64.22 C ATOM 128 C GLY A 34 42.002 13.894 8.207 1.00 62.69 C ATOM 129 O GLY A 34 41.286 13.385 7.354 1.00 61.77 O ATOM 130 N PHE A 35 42.274 13.370 9.416 1.00 61.83 N ATOM 131 CA PHE A 35 41.877 12.035 9.901 1.00 62.45 C ATOM 132 C PHE A 35 40.528 12.059 10.643 1.00 62.60 C ATOM 133 O PHE A 35 40.081 13.136 11.075 1.00 63.25 O ATOM 134 CB PHE A 35 42.946 11.434 10.825 1.00 61.65 C ATOM 135 CG PHE A 35 44.237 11.060 10.130 1.00 62.93 C ATOM 136 CD1 PHE A 35 44.320 9.927 9.327 1.00 63.05 C ATOM 137 CD2 PHE A 35 45.395 11.826 10.315 1.00 63.63 C ATOM 138 CE1 PHE A 35 45.522 9.572 8.702 1.00 64.98 C ATOM 139 CE2 PHE A 35 46.616 11.478 9.671 1.00 64.83 C ATOM 140 CZ PHE A 35 46.676 10.347 8.863 1.00 62.60 C ATOM 141 N CYS A 36 39.882 10.901 10.754 1.00 62.73 N ATOM 142 CA CYS A 36 38.599 10.769 11.509 1.00 65.02 C ATOM 143 C CYS A 36 38.835 10.346 12.971 1.00 65.58 C ATOM 144 O CYS A 36 39.980 10.127 13.382 1.00 65.85 O ATOM 145 CB CYS A 36 37.601 9.831 10.824 1.00 63.59 C ATOM 146 SG CYS A 36 38.107 8.199 11.118 1.00 70.29 S ATOM 147 N SER A 37 37.767 10.292 13.780 1.00 66.76 N ATOM 148 CA SER A 37 38.009 10.133 15.228 1.00 66.44 C ATOM 149 C SER A 37 38.860 8.848 15.413 1.00 65.80 C ATOM 150 O SER A 37 39.804 8.853 16.183 1.00 65.69 O ATOM 151 CB SER A 37 36.698 10.089 16.058 1.00 65.52 C ATOM 152 OG SER A 37 36.026 8.836 15.903 1.00 64.07 O ATOM 153 N LYS A 38 38.506 7.767 14.706 1.00 64.49 N ATOM 154 CA LYS A 38 39.083 6.462 14.981 1.00 64.39 C ATOM 155 C LYS A 38 40.521 6.297 14.402 1.00 63.39 C ATOM 156 O LYS A 38 41.422 5.676 15.054 1.00 62.28 O ATOM 157 CB LYS A 38 38.147 5.375 14.475 1.00 64.12 C ATOM 158 CG LYS A 38 38.721 3.930 14.586 1.00 65.82 C ATOM 159 CD LYS A 38 37.849 2.994 13.742 1.00 74.58 C ATOM 160 CE LYS A 38 37.510 1.706 14.464 1.00 76.43 C ATOM 161 NZ LYS A 38 38.708 0.891 14.384 1.00 78.55 N ATOM 162 N CYS A 39 40.682 6.838 13.181 1.00 62.24 N ATOM 163 CA CYS A 39 41.916 6.821 12.459 1.00 62.20 C ATOM 164 C CYS A 39 42.947 7.745 13.092 1.00 63.38 C ATOM 165 O CYS A 39 44.150 7.462 13.013 1.00 63.72 O ATOM 166 CB CYS A 39 41.726 7.184 11.007 1.00 61.19 C ATOM 167 SG CYS A 39 40.876 5.902 9.962 1.00 64.58 S ATOM 168 N TRP A 40 42.481 8.801 13.733 1.00 63.90 N ATOM 169 CA TRP A 40 43.325 9.724 14.401 1.00 64.67 C ATOM 170 C TRP A 40 43.747 9.112 15.701 1.00 64.56 C ATOM 171 O TRP A 40 44.885 9.296 16.109 1.00 65.50 O ATOM 172 CB TRP A 40 42.596 11.046 14.664 1.00 66.92 C ATOM 173 CG TRP A 40 43.336 11.946 15.607 1.00 70.12 C ATOM 174 CD1 TRP A 40 43.001 12.221 16.919 1.00 72.71 C ATOM 175 CD2 TRP A 40 44.578 12.654 15.356 1.00 74.36 C ATOM 176 NE1 TRP A 40 43.937 13.066 17.480 1.00 74.46 N ATOM 177 CE2 TRP A 40 44.914 13.345 16.551 1.00 76.66 C ATOM 178 CE3 TRP A 40 45.445 12.769 14.239 1.00 76.32 C ATOM 179 CZ2 TRP A 40 46.085 14.169 16.652 1.00 76.06 C ATOM 180 CZ3 TRP A 40 46.623 13.577 14.341 1.00 72.50 C ATOM 181 CH2 TRP A 40 46.914 14.268 15.531 1.00 72.97 C ATOM 182 N ARG A 41 42.869 8.400 16.392 1.00 63.38 N ATOM 183 CA ARG A 41 43.304 7.683 17.605 1.00 62.69 C ATOM 184 C ARG A 41 44.407 6.595 17.282 1.00 63.20 C ATOM 185 O ARG A 41 45.317 6.327 18.081 1.00 64.58 O ATOM 186 CB ARG A 41 42.067 7.115 18.288 1.00 61.56 C ATOM 187 CG ARG A 41 42.250 6.525 19.624 1.00 61.45 C ATOM 188 CD ARG A 41 40.906 6.440 20.373 1.00 60.59 C ATOM 189 NE ARG A 41 39.960 5.715 19.538 1.00 62.35 N ATOM 190 CZ ARG A 41 38.676 6.053 19.364 1.00 60.88 C ATOM 191 NH1 ARG A 41 38.194 7.103 20.001 1.00 61.00 N ATOM 192 NH2 ARG A 41 37.885 5.351 18.556 1.00 52.03 N ATOM 193 N GLU A 42 44.352 5.981 16.113 1.00 63.36 N ATOM 194 CA GLU A 42 45.369 5.023 15.720 1.00 63.96 C ATOM 195 C GLU A 42 46.687 5.705 15.467 1.00 63.31 C ATOM 196 O GLU A 42 47.685 5.199 15.902 1.00 63.82 O ATOM 197 CB GLU A 42 44.957 4.230 14.479 1.00 63.73 C ATOM 198 CG GLU A 42 43.739 3.380 14.745 1.00 67.47 C ATOM 199 CD GLU A 42 43.237 2.607 13.525 1.00 68.58 C ATOM 200 OE1 GLU A 42 44.007 2.557 12.536 1.00 73.63 O ATOM 201 OE2 GLU A 42 42.105 2.040 13.569 1.00 65.12 O ATOM 202 N GLU A 43 46.695 6.825 14.743 1.00 62.63 N ATOM 203 CA GLU A 43 47.896 7.618 14.551 1.00 62.88 C ATOM 204 C GLU A 43 48.484 8.097 15.904 1.00 63.34 C ATOM 205 O GLU A 43 49.693 8.030 16.162 1.00 64.49 O ATOM 206 CB GLU A 43 47.619 8.791 13.624 1.00 61.50 C ATOM 207 CG GLU A 43 47.288 8.365 12.192 1.00 63.12 C ATOM 208 CD GLU A 43 48.420 7.555 11.476 1.00 66.36 C ATOM 209 OE1 GLU A 43 49.570 8.055 11.352 1.00 68.93 O ATOM 210 OE2 GLU A 43 48.167 6.422 11.017 1.00 65.27 O ATOM 211 N TYR A 44 47.628 8.568 16.773 1.00 63.75 N ATOM 212 CA TYR A 44 48.067 9.076 18.050 1.00 64.03 C ATOM 213 C TYR A 44 48.783 7.942 18.764 1.00 63.39 C ATOM 214 O TYR A 44 49.867 8.147 19.217 1.00 62.23 O ATOM 215 CB TYR A 44 46.877 9.575 18.839 1.00 65.96 C ATOM 216 CG TYR A 44 47.210 10.045 20.181 1.00 68.67 C ATOM 217 CD1 TYR A 44 47.851 11.270 20.370 1.00 72.20 C ATOM 218 CD2 TYR A 44 46.890 9.279 21.296 1.00 73.73 C ATOM 219 CE1 TYR A 44 48.196 11.740 21.667 1.00 73.97 C ATOM 220 CE2 TYR A 44 47.217 9.739 22.633 1.00 75.06 C ATOM 221 CZ TYR A 44 47.872 10.969 22.798 1.00 73.50 C ATOM 222 OH TYR A 44 48.191 11.421 24.074 1.00 73.35 O ATOM 223 N HIS A 45 48.206 6.731 18.800 1.00 64.20 N ATOM 224 CA HIS A 45 48.812 5.578 19.503 1.00 63.21 C ATOM 225 C HIS A 45 50.203 5.139 18.933 1.00 61.75 C ATOM 226 O HIS A 45 51.061 4.757 19.691 1.00 60.44 O ATOM 227 CB HIS A 45 47.806 4.381 19.645 1.00 62.71 C ATOM 228 CG HIS A 45 48.409 3.110 20.251 1.00 66.50 C ATOM 229 ND1 HIS A 45 49.026 3.069 21.499 1.00 71.83 N ATOM 230 CD2 HIS A 45 48.467 1.834 19.776 1.00 69.41 C ATOM 231 CE1 HIS A 45 49.407 1.830 21.762 1.00 70.97 C ATOM 232 NE2 HIS A 45 49.085 1.064 20.733 1.00 69.02 N ATOM 233 N LYS A 46 50.326 5.151 17.611 1.00 60.42 N ATOM 234 CA LYS A 46 51.506 4.915 16.819 1.00 61.26 C ATOM 235 C LYS A 46 52.570 5.911 17.243 1.00 61.94 C ATOM 236 O LYS A 46 53.661 5.519 17.617 1.00 63.24 O ATOM 237 CB LYS A 46 51.141 5.207 15.352 1.00 61.52 C ATOM 238 CG LYS A 46 51.802 4.420 14.213 1.00 62.08 C ATOM 239 CD LYS A 46 50.850 3.376 13.532 1.00 63.12 C ATOM 240 CE LYS A 46 49.581 3.935 12.861 1.00 64.88 C ATOM 241 NZ LYS A 46 48.823 2.926 11.923 1.00 65.52 N ATOM 242 N ALA A 47 52.263 7.197 17.175 1.00 61.65 N ATOM 243 CA ALA A 47 53.198 8.245 17.568 1.00 62.95 C ATOM 244 C ALA A 47 53.705 8.105 19.027 1.00 64.84 C ATOM 245 O ALA A 47 54.902 8.400 19.345 1.00 66.86 O ATOM 246 CB ALA A 47 52.583 9.680 17.314 1.00 60.22 C ATOM 247 N ARG A 48 52.817 7.664 19.899 1.00 65.00 N ATOM 248 CA ARG A 48 53.144 7.608 21.293 1.00 66.35 C ATOM 249 C ARG A 48 54.004 6.321 21.509 1.00 66.83 C ATOM 250 O ARG A 48 54.978 6.305 22.252 1.00 69.82 O ATOM 251 CB ARG A 48 51.885 7.963 22.156 1.00 63.52 C ATOM 252 CG ARG A 48 51.558 7.110 23.217 1.00 67.60 C ATOM 253 CD ARG A 48 50.621 7.760 24.283 1.00 70.16 C ATOM 254 NE ARG A 48 49.190 7.461 24.046 1.00 79.90 N ATOM 255 CZ ARG A 48 48.576 6.247 24.056 1.00 77.97 C ATOM 256 NH1 ARG A 48 47.313 6.166 23.732 1.00 67.75 N ATOM 257 NH2 ARG A 48 49.225 5.101 24.315 1.00 81.40 N ATOM 258 N GLN A 49 53.808 5.287 20.734 1.00 67.08 N ATOM 259 CA GLN A 49 54.738 4.148 20.827 1.00 67.70 C ATOM 260 C GLN A 49 56.197 4.455 20.363 1.00 67.25 C ATOM 261 O GLN A 49 57.158 3.971 20.959 1.00 68.75 O ATOM 262 CB GLN A 49 54.223 2.935 20.081 1.00 67.02 C ATOM 263 CG GLN A 49 52.947 2.300 20.610 1.00 74.61 C ATOM 264 CD GLN A 49 52.862 2.241 22.147 1.00 82.01 C ATOM 265 OE1 GLN A 49 53.575 1.472 22.792 1.00 86.48 O ATOM 266 NE2 GLN A 49 51.946 3.025 22.732 1.00 85.88 N ATOM 267 N LYS A 50 56.346 5.182 19.267 1.00 67.06 N ATOM 268 CA LYS A 50 57.623 5.641 18.723 1.00 66.94 C ATOM 269 C LYS A 50 58.310 6.584 19.735 1.00 65.68 C ATOM 270 O LYS A 50 59.481 6.554 19.893 1.00 67.16 O ATOM 271 CB LYS A 50 57.305 6.351 17.412 1.00 66.88 C ATOM 272 CG LYS A 50 58.431 6.893 16.524 1.00 66.91 C ATOM 273 CD LYS A 50 57.751 7.595 15.294 1.00 68.68 C ATOM 274 CE LYS A 50 58.783 8.090 14.187 1.00 74.28 C ATOM 275 NZ LYS A 50 60.092 8.580 14.865 1.00 78.16 N ATOM 276 N GLN A 51 57.559 7.393 20.435 1.00 64.81 N ATOM 277 CA GLN A 51 58.066 8.309 21.459 1.00 63.84 C ATOM 278 C GLN A 51 58.601 7.473 22.646 1.00 64.11 C ATOM 279 O GLN A 51 59.643 7.777 23.183 1.00 66.60 O ATOM 280 CB GLN A 51 56.981 9.328 21.924 1.00 61.54 C ATOM 281 CG GLN A 51 57.282 10.035 23.268 1.00 59.01 C ATOM 282 CD GLN A 51 56.509 9.424 24.468 1.00 61.33 C ATOM 283 OE1 GLN A 51 55.292 9.174 24.366 1.00 64.31 O ATOM 284 NE2 GLN A 51 57.185 9.239 25.639 1.00 62.60 N ATOM 285 N ILE A 52 57.907 6.452 23.052 1.00 61.74 N ATOM 286 CA ILE A 52 58.325 5.690 24.212 1.00 60.10 C ATOM 287 C ILE A 52 59.641 4.892 23.862 1.00 62.47 C ATOM 288 O ILE A 52 60.563 4.858 24.665 1.00 64.50 O ATOM 289 CB ILE A 52 57.152 4.746 24.608 1.00 59.14 C ATOM 290 CG1 ILE A 52 55.885 5.561 25.050 1.00 57.18 C ATOM 291 CG2 ILE A 52 57.562 3.534 25.519 1.00 53.38 C ATOM 292 CD1 ILE A 52 54.648 4.555 25.367 1.00 54.69 C ATOM 293 N GLN A 53 59.686 4.236 22.702 1.00 61.79 N ATOM 294 CA GLN A 53 60.863 3.592 22.159 1.00 62.74 C ATOM 295 C GLN A 53 62.065 4.539 22.126 1.00 63.22 C ATOM 296 O GLN A 53 63.143 4.140 22.512 1.00 64.14 O ATOM 297 CB GLN A 53 60.586 3.086 20.734 1.00 62.99 C ATOM 298 CG GLN A 53 61.672 2.225 20.158 1.00 63.44 C ATOM 299 CD GLN A 53 62.117 1.080 21.125 1.00 69.89 C ATOM 300 OE1 GLN A 53 63.333 0.759 21.269 1.00 66.37 O ATOM 301 NE2 GLN A 53 61.130 0.446 21.770 1.00 71.67 N ATOM 302 N GLU A 54 61.875 5.739 21.596 1.00 63.02 N ATOM 303 CA GLU A 54 62.897 6.753 21.459 1.00 63.82 C ATOM 304 C GLU A 54 63.422 7.226 22.824 1.00 65.50 C ATOM 305 O GLU A 54 64.635 7.357 22.986 1.00 66.84 O ATOM 306 CB GLU A 54 62.350 7.892 20.639 1.00 62.58 C ATOM 307 CG GLU A 54 62.700 7.777 19.132 1.00 66.45 C ATOM 308 CD GLU A 54 61.864 8.655 18.171 1.00 66.20 C ATOM 309 OE1 GLU A 54 60.932 9.332 18.598 1.00 70.10 O ATOM 310 OE2 GLU A 54 62.102 8.649 16.920 1.00 74.29 O ATOM 311 N ASP A 55 62.527 7.416 23.798 1.00 64.60 N ATOM 312 CA ASP A 55 62.860 7.805 25.153 1.00 64.65 C ATOM 313 C ASP A 55 63.565 6.649 25.865 1.00 64.33 C ATOM 314 O ASP A 55 64.440 6.885 26.660 1.00 67.03 O ATOM 315 CB ASP A 55 61.587 8.150 25.973 1.00 62.39 C ATOM 316 CG ASP A 55 61.003 9.483 25.579 1.00 66.06 C ATOM 317 OD1 ASP A 55 61.663 10.195 24.776 1.00 63.71 O ATOM 318 OD2 ASP A 55 59.892 9.818 26.040 1.00 63.56 O ATOM 319 N TRP A 56 63.164 5.422 25.641 1.00 63.24 N ATOM 320 CA TRP A 56 63.848 4.277 26.202 1.00 61.33 C ATOM 321 C TRP A 56 65.316 4.317 25.735 1.00 60.97 C ATOM 322 O TRP A 56 66.208 4.147 26.566 1.00 60.61 O ATOM 323 CB TRP A 56 63.164 3.006 25.738 1.00 60.73 C ATOM 324 CG TRP A 56 63.967 1.777 26.019 1.00 65.73 C ATOM 325 CD1 TRP A 56 64.828 1.128 25.151 1.00 65.83 C ATOM 326 CD2 TRP A 56 63.974 1.011 27.248 1.00 64.33 C ATOM 327 NE1 TRP A 56 65.358 0.027 25.782 1.00 68.38 N ATOM 328 CE2 TRP A 56 64.837 -0.082 27.049 1.00 66.08 C ATOM 329 CE3 TRP A 56 63.241 1.096 28.448 1.00 66.90 C ATOM 330 CZ2 TRP A 56 65.066 -1.077 28.059 1.00 72.56 C ATOM 331 CZ3 TRP A 56 63.403 0.110 29.457 1.00 69.20 C ATOM 332 CH2 TRP A 56 64.343 -0.979 29.262 1.00 72.04 C ATOM 333 N GLU A 57 65.555 4.581 24.430 1.00 59.34 N ATOM 334 CA GLU A 57 66.878 4.567 23.840 1.00 61.48 C ATOM 335 C GLU A 57 67.744 5.627 24.470 1.00 61.82 C ATOM 336 O GLU A 57 68.933 5.374 24.731 1.00 65.04 O ATOM 337 CB GLU A 57 66.863 4.758 22.324 1.00 58.89 C ATOM 338 CG GLU A 57 66.267 3.612 21.730 1.00 64.62 C ATOM 339 CD GLU A 57 66.039 3.770 20.225 1.00 72.45 C ATOM 340 OE1 GLU A 57 66.850 4.474 19.602 1.00 78.04 O ATOM 341 OE2 GLU A 57 65.094 3.193 19.652 1.00 71.14 O ATOM 342 N LEU A 58 67.152 6.783 24.711 1.00 61.35 N ATOM 343 CA LEU A 58 67.789 7.902 25.328 1.00 61.83 C ATOM 344 C LEU A 58 68.069 7.609 26.813 1.00 63.34 C ATOM 345 O LEU A 58 69.105 8.008 27.360 1.00 63.90 O ATOM 346 CB LEU A 58 66.924 9.163 25.203 1.00 60.22 C ATOM 347 CG LEU A 58 67.464 10.405 25.978 1.00 63.27 C ATOM 348 CD1 LEU A 58 68.926 10.831 25.602 1.00 59.72 C ATOM 349 CD2 LEU A 58 66.550 11.595 25.800 1.00 61.56 C ATOM 350 N ALA A 59 67.124 6.991 27.481 1.00 62.12 N ATOM 351 CA ALA A 59 67.344 6.703 28.879 1.00 62.75 C ATOM 352 C ALA A 59 68.506 5.632 28.978 1.00 63.53 C ATOM 353 O ALA A 59 69.263 5.681 29.938 1.00 63.18 O ATOM 354 CB ALA A 59 66.044 6.121 29.500 1.00 59.27 C ATOM 355 N GLU A 60 68.619 4.671 28.025 1.00 63.15 N ATOM 356 CA GLU A 60 69.801 3.766 28.004 1.00 63.61 C ATOM 357 C GLU A 60 71.168 4.564 27.880 1.00 63.92 C ATOM 358 O GLU A 60 72.108 4.328 28.660 1.00 62.72 O ATOM 359 CB GLU A 60 69.725 2.793 26.877 1.00 61.64 C ATOM 360 CG GLU A 60 68.532 1.895 26.922 1.00 67.69 C ATOM 361 CD GLU A 60 68.745 0.595 27.679 1.00 73.94 C ATOM 362 OE1 GLU A 60 69.004 0.623 28.892 1.00 77.46 O ATOM 363 OE2 GLU A 60 68.645 -0.485 27.059 1.00 78.29 O ATOM 364 N ARG A 61 71.211 5.509 26.933 1.00 63.79 N ATOM 365 CA ARG A 61 72.368 6.346 26.669 1.00 65.36 C ATOM 366 C ARG A 61 72.724 6.997 27.975 1.00 64.73 C ATOM 367 O ARG A 61 73.827 6.965 28.441 1.00 65.56 O ATOM 368 CB ARG A 61 72.069 7.366 25.580 1.00 63.72 C ATOM 369 CG ARG A 61 72.811 7.084 24.334 1.00 72.07 C ATOM 370 CD ARG A 61 71.990 6.787 23.040 1.00 79.71 C ATOM 371 NE ARG A 61 71.230 8.007 22.799 1.00 83.83 N ATOM 372 CZ ARG A 61 69.991 8.103 22.321 1.00 84.07 C ATOM 373 NH1 ARG A 61 69.443 9.287 22.279 1.00 84.73 N ATOM 374 NH2 ARG A 61 69.288 7.056 21.921 1.00 87.43 N ATOM 375 N LEU A 62 71.746 7.539 28.628 1.00 64.98 N ATOM 376 CA LEU A 62 72.019 8.392 29.767 1.00 64.90 C ATOM 377 C LEU A 62 72.405 7.582 31.002 1.00 64.44 C ATOM 378 O LEU A 62 73.201 8.033 31.837 1.00 66.47 O ATOM 379 CB LEU A 62 70.807 9.257 29.989 1.00 62.07 C ATOM 380 CG LEU A 62 70.621 10.287 31.020 1.00 63.29 C ATOM 381 CD1 LEU A 62 71.778 11.321 31.151 1.00 60.65 C ATOM 382 CD2 LEU A 62 69.333 10.870 30.457 1.00 62.65 C ATOM 383 N GLN A 63 71.891 6.379 31.087 1.00 63.20 N ATOM 384 CA GLN A 63 72.259 5.479 32.179 1.00 62.69 C ATOM 385 C GLN A 63 73.736 4.979 32.005 1.00 62.95 C ATOM 386 O GLN A 63 74.409 4.862 33.010 1.00 60.77 O ATOM 387 CB GLN A 63 71.295 4.292 32.234 1.00 60.36 C ATOM 388 CG GLN A 63 71.472 3.411 33.491 1.00 63.67 C ATOM 389 CD GLN A 63 70.970 4.103 34.809 1.00 68.45 C ATOM 390 OE1 GLN A 63 69.731 4.157 35.080 1.00 71.22 O ATOM 391 NE2 GLN A 63 71.927 4.617 35.639 1.00 67.60 N ATOM 392 N ARG A 64 74.150 4.631 30.736 1.00 62.26 N ATOM 393 CA ARG A 64 75.473 4.213 30.340 1.00 63.32 C ATOM 394 C ARG A 64 76.412 5.304 30.780 1.00 61.98 C ATOM 395 O ARG A 64 77.398 5.075 31.468 1.00 63.89 O ATOM 396 CB ARG A 64 75.555 4.003 28.826 1.00 61.95 C ATOM 397 CG ARG A 64 76.892 3.489 28.398 1.00 67.57 C ATOM 398 CD ARG A 64 77.122 3.296 26.863 1.00 69.86 C ATOM 399 NE ARG A 64 75.846 3.156 26.104 1.00 79.61 N ATOM 400 CZ ARG A 64 75.267 4.075 25.290 1.00 80.81 C ATOM 401 NH1 ARG A 64 74.091 3.734 24.666 1.00 75.03 N ATOM 402 NH2 ARG A 64 75.835 5.318 25.115 1.00 78.73 N ATOM 403 N GLU A 65 76.028 6.519 30.505 1.00 60.52 N ATOM 404 CA GLU A 65 76.839 7.650 30.815 1.00 63.24 C ATOM 405 C GLU A 65 77.014 7.999 32.303 1.00 62.34 C ATOM 406 O GLU A 65 78.062 8.480 32.710 1.00 62.35 O ATOM 407 CB GLU A 65 76.492 8.780 29.820 1.00 62.69 C ATOM 408 CG GLU A 65 76.485 10.214 30.283 1.00 68.11 C ATOM 409 CD GLU A 65 76.403 11.262 29.068 1.00 70.79 C ATOM 410 OE1 GLU A 65 76.042 10.903 27.855 1.00 76.40 O ATOM 411 OE2 GLU A 65 76.726 12.474 29.346 1.00 75.37 O ATOM 412 N GLU A 66 76.067 7.637 33.155 1.00 62.42 N ATOM 413 CA GLU A 66 76.155 7.995 34.546 1.00 61.27 C ATOM 414 C GLU A 66 77.075 6.961 35.143 1.00 62.11 C ATOM 415 O GLU A 66 77.767 7.258 36.074 1.00 62.97 O ATOM 416 CB GLU A 66 74.800 7.814 35.245 1.00 61.79 C ATOM 417 CG GLU A 66 73.725 8.823 35.017 1.00 62.94 C ATOM 418 CD GLU A 66 73.971 10.100 35.776 1.00 66.92 C ATOM 419 OE1 GLU A 66 74.676 10.088 36.807 1.00 62.24 O ATOM 420 OE2 GLU A 66 73.395 11.134 35.344 1.00 72.29 O ATOM 421 N GLU A 67 77.022 5.719 34.655 1.00 63.56 N ATOM 422 CA GLU A 67 77.760 4.621 35.243 1.00 63.92 C ATOM 423 C GLU A 67 79.178 4.892 34.902 1.00 63.52 C ATOM 424 O GLU A 67 79.994 4.751 35.765 1.00 66.98 O ATOM 425 CB GLU A 67 77.348 3.274 34.694 1.00 63.97 C ATOM 426 CG GLU A 67 75.878 2.906 35.095 1.00 68.22 C ATOM 427 CD GLU A 67 75.408 1.493 34.606 1.00 68.90 C ATOM 428 OE1 GLU A 67 75.120 0.611 35.518 1.00 74.16 O ATOM 429 OE2 GLU A 67 75.343 1.281 33.335 1.00 71.54 O ATOM 430 N GLU A 68 79.488 5.319 33.665 1.00 62.12 N ATOM 431 CA GLU A 68 80.857 5.664 33.281 1.00 59.05 C ATOM 432 C GLU A 68 81.358 6.821 34.060 1.00 57.12 C ATOM 433 O GLU A 68 82.461 6.762 34.460 1.00 56.38 O ATOM 434 CB GLU A 68 80.999 6.002 31.825 1.00 56.48 C ATOM 435 CG GLU A 68 80.773 4.826 31.044 1.00 58.57 C ATOM 436 CD GLU A 68 80.569 5.088 29.511 1.00 66.07 C ATOM 437 OE1 GLU A 68 80.005 6.173 29.049 1.00 70.64 O ATOM 438 OE2 GLU A 68 80.877 4.126 28.775 1.00 61.27 O ATOM 439 N ALA A 69 80.569 7.879 34.210 1.00 56.48 N ATOM 440 CA ALA A 69 81.034 9.090 34.874 1.00 57.31 C ATOM 441 C ALA A 69 81.341 8.752 36.369 1.00 59.54 C ATOM 442 O ALA A 69 82.401 9.212 36.940 1.00 61.20 O ATOM 443 CB ALA A 69 80.040 10.235 34.747 1.00 54.70 C ATOM 444 N PHE A 70 80.474 7.947 36.978 1.00 60.58 N ATOM 445 CA PHE A 70 80.748 7.415 38.325 1.00 63.23 C ATOM 446 C PHE A 70 82.032 6.568 38.412 1.00 63.71 C ATOM 447 O PHE A 70 82.833 6.779 39.327 1.00 64.45 O ATOM 448 CB PHE A 70 79.566 6.627 38.877 1.00 63.39 C ATOM 449 CG PHE A 70 79.742 6.217 40.332 1.00 66.92 C ATOM 450 CD1 PHE A 70 80.077 7.174 41.300 1.00 69.86 C ATOM 451 CD2 PHE A 70 79.586 4.879 40.718 1.00 65.75 C ATOM 452 CE1 PHE A 70 80.278 6.806 42.600 1.00 73.37 C ATOM 453 CE2 PHE A 70 79.762 4.481 42.007 1.00 69.73 C ATOM 454 CZ PHE A 70 80.093 5.444 42.985 1.00 72.31 C ATOM 455 N ALA A 71 82.212 5.652 37.439 1.00 63.86 N ATOM 456 CA ALA A 71 83.318 4.726 37.408 1.00 64.17 C ATOM 457 C ALA A 71 84.628 5.473 37.253 1.00 65.19 C ATOM 458 O ALA A 71 85.582 5.198 38.013 1.00 64.84 O ATOM 459 CB ALA A 71 83.130 3.604 36.321 1.00 62.66 C ATOM 460 N SER A 72 84.717 6.410 36.290 1.00 67.36 N ATOM 461 CA SER A 72 85.958 7.223 36.220 1.00 69.69 C ATOM 462 C SER A 72 86.196 8.160 37.403 1.00 69.99 C ATOM 463 O SER A 72 87.292 8.577 37.630 1.00 70.01 O ATOM 464 CB SER A 72 86.155 7.967 34.902 1.00 69.26 C ATOM 465 OG SER A 72 85.025 8.677 34.571 1.00 72.78 O ATOM 466 N SER A 73 85.147 8.451 38.146 1.00 72.04 N ATOM 467 CA SER A 73 85.172 9.289 39.329 1.00 73.17 C ATOM 468 C SER A 73 85.824 8.554 40.494 1.00 74.78 C ATOM 469 O SER A 73 86.629 9.134 41.237 1.00 74.45 O ATOM 470 CB SER A 73 83.731 9.571 39.703 1.00 72.57 C ATOM 471 OG SER A 73 83.652 10.762 40.406 1.00 72.16 O ATOM 472 N GLN A 74 85.441 7.284 40.659 1.00 76.85 N ATOM 473 CA GLN A 74 86.058 6.357 41.641 1.00 78.95 C ATOM 474 C GLN A 74 87.312 5.583 41.113 1.00 80.02 C ATOM 475 O GLN A 74 87.970 4.843 41.859 1.00 80.13 O ATOM 476 CB GLN A 74 85.009 5.372 42.181 1.00 79.01 C ATOM 477 CG GLN A 74 83.643 5.992 42.574 1.00 82.07 C ATOM 478 CD GLN A 74 83.726 7.066 43.699 1.00 86.32 C ATOM 479 OE1 GLN A 74 84.709 7.821 43.807 1.00 86.76 O ATOM 480 NE2 GLN A 74 82.675 7.133 44.537 1.00 87.11 N ATOM 481 N SER A 75 87.644 5.736 39.831 1.00 81.31 N ATOM 482 CA SER A 75 88.925 5.215 39.349 1.00 82.40 C ATOM 483 C SER A 75 89.956 6.279 39.710 1.00 83.35 C ATOM 484 O SER A 75 90.900 6.581 38.983 1.00 84.01 O ATOM 485 CB SER A 75 88.918 4.851 37.838 1.00 82.35 C ATOM 486 OG SER A 75 89.342 5.910 36.978 1.00 80.03 O ATOM 487 OXT SER A 75 89.849 6.890 40.776 1.00 84.23 O TER 488 SER A 75 ATOM 489 N MET B 1 45.157 12.925 37.226 1.00 67.10 N ATOM 490 CA MET B 1 45.321 12.027 36.037 1.00 67.53 C ATOM 491 C MET B 1 46.436 11.044 36.338 1.00 66.81 C ATOM 492 O MET B 1 47.216 11.240 37.271 1.00 66.70 O ATOM 493 CB MET B 1 45.650 12.843 34.765 1.00 66.58 C ATOM 494 CG MET B 1 46.965 13.581 34.840 1.00 67.30 C ATOM 495 SD MET B 1 47.361 14.495 33.339 1.00 69.90 S ATOM 496 CE MET B 1 49.109 14.862 33.496 1.00 63.92 C ATOM 497 N GLN B 2 46.528 9.988 35.552 1.00 66.42 N ATOM 498 CA GLN B 2 47.683 9.101 35.705 1.00 66.22 C ATOM 499 C GLN B 2 48.686 9.296 34.623 1.00 65.81 C ATOM 500 O GLN B 2 48.340 9.444 33.456 1.00 65.79 O ATOM 501 CB GLN B 2 47.293 7.638 35.764 1.00 65.35 C ATOM 502 CG GLN B 2 46.289 7.349 36.846 1.00 68.74 C ATOM 503 CD GLN B 2 45.938 5.888 36.922 1.00 71.58 C ATOM 504 OE1 GLN B 2 45.801 5.394 38.013 1.00 72.78 O ATOM 505 NE2 GLN B 2 45.844 5.174 35.772 1.00 69.18 N ATOM 506 N ILE B 3 49.944 9.272 35.042 1.00 66.65 N ATOM 507 CA ILE B 3 51.095 9.102 34.148 1.00 65.73 C ATOM 508 C ILE B 3 51.921 7.927 34.638 1.00 66.44 C ATOM 509 O ILE B 3 51.852 7.530 35.830 1.00 65.27 O ATOM 510 CB ILE B 3 51.991 10.400 34.031 1.00 66.34 C ATOM 511 CG1 ILE B 3 52.533 10.797 35.408 1.00 65.67 C ATOM 512 CG2 ILE B 3 51.185 11.545 33.277 1.00 64.43 C ATOM 513 CD1 ILE B 3 53.806 11.757 35.394 1.00 62.99 C ATOM 514 N PHE B 4 52.702 7.343 33.709 1.00 66.89 N ATOM 515 CA PHE B 4 53.577 6.250 34.098 1.00 66.20 C ATOM 516 C PHE B 4 55.028 6.610 33.914 1.00 67.20 C ATOM 517 O PHE B 4 55.400 7.261 32.931 1.00 66.40 O ATOM 518 CB PHE B 4 53.235 4.963 33.403 1.00 65.09 C ATOM 519 CG PHE B 4 51.792 4.759 33.218 1.00 62.31 C ATOM 520 CD1 PHE B 4 51.048 4.101 34.206 1.00 63.98 C ATOM 521 CD2 PHE B 4 51.166 5.202 32.062 1.00 59.88 C ATOM 522 CE1 PHE B 4 49.661 3.899 34.045 1.00 62.72 C ATOM 523 CE2 PHE B 4 49.819 5.000 31.864 1.00 60.26 C ATOM 524 CZ PHE B 4 49.044 4.353 32.869 1.00 62.51 C ATOM 525 N VAL B 5 55.797 6.205 34.937 1.00 66.78 N ATOM 526 CA VAL B 5 57.189 6.398 34.966 1.00 66.91 C ATOM 527 C VAL B 5 57.872 5.011 34.922 1.00 66.56 C ATOM 528 O VAL B 5 57.800 4.301 35.945 1.00 66.15 O ATOM 529 CB VAL B 5 57.607 7.146 36.247 1.00 67.54 C ATOM 530 CG1 VAL B 5 59.140 7.335 36.189 1.00 66.15 C ATOM 531 CG2 VAL B 5 56.884 8.434 36.388 1.00 64.74 C ATOM 532 N LYS B 6 58.474 4.648 33.757 1.00 65.29 N ATOM 533 CA LYS B 6 59.223 3.422 33.527 1.00 65.51 C ATOM 534 C LYS B 6 60.692 3.544 33.943 1.00 66.10 C ATOM 535 O LYS B 6 61.359 4.526 33.621 1.00 65.77 O ATOM 536 CB LYS B 6 59.181 3.073 32.031 1.00 66.19 C ATOM 537 CG LYS B 6 57.772 2.717 31.589 1.00 73.33 C ATOM 538 CD LYS B 6 57.620 1.897 30.338 1.00 74.98 C ATOM 539 CE LYS B 6 58.456 0.652 30.385 1.00 79.20 C ATOM 540 NZ LYS B 6 58.379 0.068 29.024 1.00 75.38 N ATOM 541 N THR B 7 61.208 2.550 34.639 1.00 66.15 N ATOM 542 CA THR B 7 62.629 2.424 34.862 1.00 64.96 C ATOM 543 C THR B 7 63.203 1.478 33.807 1.00 64.85 C ATOM 544 O THR B 7 62.438 0.938 33.020 1.00 64.16 O ATOM 545 CB THR B 7 62.904 1.916 36.266 1.00 65.59 C ATOM 546 OG1 THR B 7 62.628 0.526 36.313 1.00 65.37 O ATOM 547 CG2 THR B 7 61.988 2.716 37.309 1.00 63.46 C ATOM 548 N LEU B 8 64.547 1.368 33.743 1.00 63.44 N ATOM 549 CA LEU B 8 65.264 0.412 32.884 1.00 61.27 C ATOM 550 C LEU B 8 65.309 -0.953 33.465 1.00 60.59 C ATOM 551 O LEU B 8 65.871 -1.838 32.837 1.00 59.44 O ATOM 552 CB LEU B 8 66.724 0.886 32.623 1.00 60.48 C ATOM 553 CG LEU B 8 66.724 2.285 31.907 1.00 67.06 C ATOM 554 CD1 LEU B 8 68.110 2.836 31.625 1.00 62.69 C ATOM 555 CD2 LEU B 8 65.900 2.213 30.552 1.00 66.34 C ATOM 556 N THR B 9 64.825 -1.100 34.715 1.00 59.99 N ATOM 557 CA THR B 9 64.980 -2.328 35.490 1.00 60.07 C ATOM 558 C THR B 9 63.648 -3.017 35.819 1.00 58.42 C ATOM 559 O THR B 9 63.518 -3.656 36.854 1.00 56.91 O ATOM 560 CB THR B 9 65.745 -2.040 36.832 1.00 61.75 C ATOM 561 OG1 THR B 9 65.040 -0.990 37.622 1.00 68.16 O ATOM 562 CG2 THR B 9 67.219 -1.708 36.494 1.00 62.24 C ATOM 563 N GLY B 10 62.651 -2.890 34.942 1.00 57.96 N ATOM 564 CA GLY B 10 61.484 -3.759 35.090 1.00 57.38 C ATOM 565 C GLY B 10 60.399 -3.269 36.020 1.00 57.45 C ATOM 566 O GLY B 10 59.686 -4.009 36.568 1.00 55.09 O ATOM 567 N LYS B 11 60.295 -1.974 36.179 1.00 60.84 N ATOM 568 CA LYS B 11 59.301 -1.404 37.123 1.00 63.22 C ATOM 569 C LYS B 11 58.645 -0.229 36.368 1.00 63.00 C ATOM 570 O LYS B 11 59.338 0.405 35.610 1.00 61.13 O ATOM 571 CB LYS B 11 59.959 -0.998 38.452 1.00 62.55 C ATOM 572 CG LYS B 11 59.107 -0.237 39.397 1.00 65.59 C ATOM 573 CD LYS B 11 59.944 0.084 40.583 1.00 65.67 C ATOM 574 CE LYS B 11 59.977 -1.095 41.479 1.00 65.55 C ATOM 575 NZ LYS B 11 58.649 -1.243 42.126 1.00 62.24 N ATOM 576 N THR B 12 57.294 -0.139 36.450 1.00 65.40 N ATOM 577 CA THR B 12 56.478 1.052 36.061 1.00 68.43 C ATOM 578 C THR B 12 55.778 1.613 37.282 1.00 67.89 C ATOM 579 O THR B 12 55.062 0.905 37.930 1.00 67.03 O ATOM 580 CB THR B 12 55.401 0.792 34.948 1.00 68.62 C ATOM 581 OG1 THR B 12 56.039 0.359 33.739 1.00 72.42 O ATOM 582 CG2 THR B 12 54.756 2.081 34.592 1.00 71.21 C ATOM 583 N ILE B 13 56.060 2.875 37.610 1.00 68.34 N ATOM 584 CA ILE B 13 55.425 3.590 38.724 1.00 68.14 C ATOM 585 C ILE B 13 54.208 4.344 38.162 1.00 67.36 C ATOM 586 O ILE B 13 54.345 5.114 37.261 1.00 67.53 O ATOM 587 CB ILE B 13 56.391 4.685 39.303 1.00 69.54 C ATOM 588 CG1 ILE B 13 57.885 4.271 39.296 1.00 71.14 C ATOM 589 CG2 ILE B 13 55.924 5.151 40.606 1.00 67.20 C ATOM 590 CD1 ILE B 13 58.114 3.068 40.068 1.00 79.52 C ATOM 591 N THR B 14 53.020 4.125 38.674 1.00 67.91 N ATOM 592 CA THR B 14 51.891 4.939 38.296 1.00 68.48 C ATOM 593 C THR B 14 51.785 6.093 39.299 1.00 67.81 C ATOM 594 O THR B 14 51.802 5.877 40.537 1.00 69.34 O ATOM 595 CB THR B 14 50.594 4.069 38.228 1.00 68.51 C ATOM 596 OG1 THR B 14 50.731 3.219 37.095 1.00 72.64 O ATOM 597 CG2 THR B 14 49.329 4.884 38.015 1.00 64.97 C ATOM 598 N LEU B 15 51.688 7.307 38.794 1.00 66.06 N ATOM 599 CA LEU B 15 51.563 8.466 39.690 1.00 64.43 C ATOM 600 C LEU B 15 50.185 9.155 39.510 1.00 64.15 C ATOM 601 O LEU B 15 49.636 9.198 38.399 1.00 63.27 O ATOM 602 CB LEU B 15 52.756 9.453 39.495 1.00 63.10 C ATOM 603 CG LEU B 15 54.225 9.027 39.773 1.00 62.57 C ATOM 604 CD1 LEU B 15 55.161 10.148 39.409 1.00 54.97 C ATOM 605 CD2 LEU B 15 54.462 8.600 41.275 1.00 58.06 C ATOM 606 N GLU B 16 49.630 9.696 40.595 1.00 64.12 N ATOM 607 CA GLU B 16 48.481 10.578 40.454 1.00 65.38 C ATOM 608 C GLU B 16 48.972 12.061 40.398 1.00 64.62 C ATOM 609 O GLU B 16 49.689 12.500 41.287 1.00 64.93 O ATOM 610 CB GLU B 16 47.481 10.326 41.567 1.00 65.51 C ATOM 611 CG GLU B 16 46.166 11.069 41.289 1.00 71.93 C ATOM 612 CD GLU B 16 45.428 10.516 40.042 1.00 76.03 C ATOM 613 OE1 GLU B 16 45.624 9.230 39.777 1.00 76.84 O ATOM 614 OE2 GLU B 16 44.659 11.357 39.372 1.00 73.42 O ATOM 615 N VAL B 17 48.689 12.776 39.309 1.00 64.00 N ATOM 616 CA VAL B 17 49.256 14.095 39.079 1.00 62.75 C ATOM 617 C VAL B 17 48.262 15.051 38.378 1.00 63.86 C ATOM 618 O VAL B 17 47.133 14.640 37.941 1.00 62.81 O ATOM 619 CB VAL B 17 50.563 14.039 38.264 1.00 63.44 C ATOM 620 CG1 VAL B 17 51.745 13.392 39.027 1.00 61.18 C ATOM 621 CG2 VAL B 17 50.366 13.367 36.983 1.00 63.93 C ATOM 622 N GLU B 18 48.643 16.337 38.336 1.00 63.49 N ATOM 623 CA GLU B 18 47.870 17.358 37.635 1.00 64.43 C ATOM 624 C GLU B 18 48.775 17.996 36.579 1.00 64.26 C ATOM 625 O GLU B 18 49.987 18.082 36.804 1.00 64.60 O ATOM 626 CB GLU B 18 47.325 18.401 38.623 1.00 64.31 C ATOM 627 CG GLU B 18 46.443 17.779 39.647 1.00 66.95 C ATOM 628 CD GLU B 18 45.169 17.168 38.992 1.00 72.90 C ATOM 629 OE1 GLU B 18 44.618 17.738 38.023 1.00 73.62 O ATOM 630 OE2 GLU B 18 44.699 16.096 39.431 1.00 77.67 O ATOM 631 N PRO B 19 48.202 18.421 35.421 1.00 63.99 N ATOM 632 CA PRO B 19 49.012 19.128 34.434 1.00 63.28 C ATOM 633 C PRO B 19 49.806 20.263 35.041 1.00 62.92 C ATOM 634 O PRO B 19 50.874 20.592 34.545 1.00 64.51 O ATOM 635 CB PRO B 19 47.979 19.657 33.413 1.00 64.03 C ATOM 636 CG PRO B 19 46.847 18.663 33.458 1.00 63.88 C ATOM 637 CD PRO B 19 46.799 18.260 34.967 1.00 63.84 C ATOM 638 N SER B 20 49.337 20.806 36.134 1.00 61.88 N ATOM 639 CA SER B 20 50.012 21.893 36.783 1.00 63.23 C ATOM 640 C SER B 20 51.206 21.477 37.677 1.00 64.15 C ATOM 641 O SER B 20 51.991 22.335 38.106 1.00 64.86 O ATOM 642 CB SER B 20 48.999 22.788 37.571 1.00 62.23 C ATOM 643 OG SER B 20 48.477 22.080 38.671 1.00 61.25 O ATOM 644 N ASP B 21 51.345 20.191 37.980 1.00 64.83 N ATOM 645 CA ASP B 21 52.441 19.746 38.827 1.00 66.07 C ATOM 646 C ASP B 21 53.876 20.097 38.318 1.00 66.53 C ATOM 647 O ASP B 21 54.240 19.903 37.102 1.00 65.71 O ATOM 648 CB ASP B 21 52.339 18.240 39.039 1.00 67.05 C ATOM 649 CG ASP B 21 51.320 17.839 40.132 1.00 69.70 C ATOM 650 OD1 ASP B 21 50.493 18.612 40.577 1.00 72.56 O ATOM 651 OD2 ASP B 21 51.353 16.671 40.544 1.00 78.60 O ATOM 652 N THR B 22 54.723 20.558 39.254 1.00 66.16 N ATOM 653 CA THR B 22 56.100 20.742 38.875 1.00 66.13 C ATOM 654 C THR B 22 56.754 19.400 38.731 1.00 67.98 C ATOM 655 O THR B 22 56.289 18.371 39.303 1.00 67.78 O ATOM 656 CB THR B 22 56.905 21.639 39.778 1.00 66.28 C ATOM 657 OG1 THR B 22 57.005 21.047 41.064 1.00 66.87 O ATOM 658 CG2 THR B 22 56.263 23.088 39.873 1.00 61.48 C ATOM 659 N ILE B 23 57.833 19.407 37.935 1.00 68.72 N ATOM 660 CA ILE B 23 58.766 18.271 37.925 1.00 67.61 C ATOM 661 C ILE B 23 59.327 17.965 39.334 1.00 67.06 C ATOM 662 O ILE B 23 59.451 16.839 39.672 1.00 68.24 O ATOM 663 CB ILE B 23 59.884 18.429 36.813 1.00 67.96 C ATOM 664 CG1 ILE B 23 59.260 18.763 35.448 1.00 61.35 C ATOM 665 CG2 ILE B 23 60.814 17.178 36.805 1.00 66.97 C ATOM 666 CD1 ILE B 23 58.291 17.635 34.931 1.00 62.64 C ATOM 667 N GLU B 24 59.624 18.952 40.152 1.00 67.72 N ATOM 668 CA GLU B 24 60.114 18.745 41.506 1.00 69.03 C ATOM 669 C GLU B 24 59.116 17.955 42.370 1.00 69.35 C ATOM 670 O GLU B 24 59.500 17.176 43.255 1.00 68.83 O ATOM 671 CB GLU B 24 60.271 20.116 42.103 1.00 69.63 C ATOM 672 CG GLU B 24 61.471 20.276 42.997 1.00 75.32 C ATOM 673 CD GLU B 24 61.791 21.786 43.200 1.00 83.95 C ATOM 674 OE1 GLU B 24 61.891 22.233 44.397 1.00 83.26 O ATOM 675 OE2 GLU B 24 61.899 22.513 42.144 1.00 84.10 O ATOM 676 N ASN B 25 57.835 18.258 42.114 1.00 69.71 N ATOM 677 CA ASN B 25 56.652 17.764 42.785 1.00 70.27 C ATOM 678 C ASN B 25 56.527 16.270 42.403 1.00 69.50 C ATOM 679 O ASN B 25 56.282 15.410 43.266 1.00 69.98 O ATOM 680 CB ASN B 25 55.405 18.486 42.203 1.00 71.01 C ATOM 681 CG ASN B 25 55.032 19.769 42.921 1.00 76.28 C ATOM 682 OD1 ASN B 25 55.560 20.056 44.013 1.00 84.42 O ATOM 683 ND2 ASN B 25 54.083 20.564 42.325 1.00 78.03 N ATOM 684 N VAL B 26 56.605 16.009 41.101 1.00 65.76 N ATOM 685 CA VAL B 26 56.553 14.681 40.578 1.00 65.58 C ATOM 686 C VAL B 26 57.712 13.778 41.150 1.00 64.34 C ATOM 687 O VAL B 26 57.478 12.686 41.521 1.00 64.48 O ATOM 688 CB VAL B 26 56.614 14.701 38.985 1.00 65.50 C ATOM 689 CG1 VAL B 26 56.772 13.283 38.437 1.00 64.09 C ATOM 690 CG2 VAL B 26 55.425 15.460 38.346 1.00 63.95 C ATOM 691 N LYS B 27 58.935 14.261 41.204 1.00 63.07 N ATOM 692 CA LYS B 27 60.028 13.606 41.862 1.00 61.98 C ATOM 693 C LYS B 27 59.783 13.371 43.365 1.00 62.29 C ATOM 694 O LYS B 27 60.141 12.330 43.862 1.00 62.42 O ATOM 695 CB LYS B 27 61.331 14.413 41.611 1.00 62.38 C ATOM 696 CG LYS B 27 61.822 14.337 40.117 1.00 59.44 C ATOM 697 CD LYS B 27 62.997 15.155 39.872 1.00 55.58 C ATOM 698 CE LYS B 27 63.571 14.951 38.469 1.00 63.51 C ATOM 699 NZ LYS B 27 64.752 15.925 38.321 1.00 65.47 N ATOM 700 N ALA B 28 59.198 14.319 44.093 1.00 62.87 N ATOM 701 CA ALA B 28 58.715 14.088 45.496 1.00 63.85 C ATOM 702 C ALA B 28 57.756 12.881 45.581 1.00 64.80 C ATOM 703 O ALA B 28 57.878 11.991 46.482 1.00 64.86 O ATOM 704 CB ALA B 28 58.045 15.376 46.100 1.00 62.27 C ATOM 705 N LYS B 29 56.835 12.822 44.616 1.00 65.46 N ATOM 706 CA LYS B 29 55.926 11.704 44.493 1.00 66.83 C ATOM 707 C LYS B 29 56.614 10.328 44.292 1.00 67.72 C ATOM 708 O LYS B 29 56.269 9.344 45.039 1.00 67.90 O ATOM 709 CB LYS B 29 54.886 11.980 43.430 1.00 67.51 C ATOM 710 CG LYS B 29 53.867 12.984 43.921 1.00 66.94 C ATOM 711 CD LYS B 29 52.723 12.955 42.915 1.00 71.75 C ATOM 712 CE LYS B 29 52.279 14.331 42.491 1.00 66.75 C ATOM 713 NZ LYS B 29 51.438 14.750 43.518 1.00 64.17 N ATOM 714 N ILE B 30 57.603 10.281 43.373 1.00 66.59 N ATOM 715 CA ILE B 30 58.494 9.154 43.224 1.00 65.12 C ATOM 716 C ILE B 30 59.276 8.829 44.562 1.00 66.64 C ATOM 717 O ILE B 30 59.414 7.663 44.925 1.00 67.56 O ATOM 718 CB ILE B 30 59.406 9.380 42.006 1.00 65.53 C ATOM 719 CG1 ILE B 30 58.592 9.368 40.678 1.00 63.79 C ATOM 720 CG2 ILE B 30 60.486 8.375 41.992 1.00 65.05 C ATOM 721 CD1 ILE B 30 59.312 9.944 39.400 1.00 62.10 C ATOM 722 N GLN B 31 59.734 9.822 45.328 1.00 66.41 N ATOM 723 CA GLN B 31 60.350 9.560 46.636 1.00 66.58 C ATOM 724 C GLN B 31 59.329 8.848 47.542 1.00 67.78 C ATOM 725 O GLN B 31 59.688 7.908 48.276 1.00 67.22 O ATOM 726 CB GLN B 31 60.817 10.862 47.317 1.00 66.37 C ATOM 727 CG GLN B 31 61.965 10.710 48.308 1.00 64.58 C ATOM 728 CD GLN B 31 62.261 11.998 49.125 1.00 67.85 C ATOM 729 OE1 GLN B 31 61.501 12.999 49.081 1.00 68.76 O ATOM 730 NE2 GLN B 31 63.354 11.960 49.914 1.00 65.94 N ATOM 731 N ASP B 32 58.061 9.288 47.484 1.00 68.66 N ATOM 732 CA ASP B 32 56.957 8.681 48.303 1.00 69.17 C ATOM 733 C ASP B 32 56.718 7.159 48.065 1.00 69.57 C ATOM 734 O ASP B 32 56.551 6.376 48.987 1.00 68.45 O ATOM 735 CB ASP B 32 55.654 9.474 48.099 1.00 68.89 C ATOM 736 CG ASP B 32 55.690 10.854 48.787 1.00 71.63 C ATOM 737 OD1 ASP B 32 54.721 11.681 48.702 1.00 70.17 O ATOM 738 OD2 ASP B 32 56.729 11.120 49.427 1.00 75.52 O ATOM 739 N LYS B 33 56.726 6.770 46.801 1.00 70.62 N ATOM 740 CA LYS B 33 56.391 5.436 46.406 1.00 72.18 C ATOM 741 C LYS B 33 57.643 4.568 46.505 1.00 72.22 C ATOM 742 O LYS B 33 57.608 3.445 47.014 1.00 73.70 O ATOM 743 CB LYS B 33 55.903 5.440 44.946 1.00 72.61 C ATOM 744 CG LYS B 33 54.510 5.981 44.808 1.00 73.89 C ATOM 745 CD LYS B 33 53.781 5.353 43.651 1.00 75.70 C ATOM 746 CE LYS B 33 52.273 5.352 43.901 1.00 78.67 C ATOM 747 NZ LYS B 33 51.633 4.386 42.977 1.00 79.94 N ATOM 748 N GLU B 34 58.754 5.120 46.059 1.00 71.06 N ATOM 749 CA GLU B 34 59.920 4.333 45.776 1.00 69.82 C ATOM 750 C GLU B 34 61.056 4.569 46.744 1.00 68.31 C ATOM 751 O GLU B 34 62.060 3.875 46.674 1.00 68.64 O ATOM 752 CB GLU B 34 60.369 4.600 44.315 1.00 68.85 C ATOM 753 CG GLU B 34 59.565 3.813 43.205 1.00 72.19 C ATOM 754 CD GLU B 34 59.114 2.387 43.645 1.00 84.63 C ATOM 755 OE1 GLU B 34 60.029 1.520 43.942 1.00 86.19 O ATOM 756 OE2 GLU B 34 57.844 2.155 43.721 1.00 85.30 O ATOM 757 N GLY B 35 60.922 5.530 47.652 1.00 67.20 N ATOM 758 CA GLY B 35 62.075 5.929 48.495 1.00 65.76 C ATOM 759 C GLY B 35 63.353 6.420 47.742 1.00 65.98 C ATOM 760 O GLY B 35 64.420 6.449 48.357 1.00 65.81 O ATOM 761 N ILE B 36 63.267 6.810 46.448 1.00 64.41 N ATOM 762 CA ILE B 36 64.401 7.419 45.736 1.00 64.10 C ATOM 763 C ILE B 36 64.472 8.964 45.964 1.00 63.79 C ATOM 764 O ILE B 36 63.523 9.714 45.648 1.00 61.81 O ATOM 765 CB ILE B 36 64.324 7.118 44.173 1.00 64.54 C ATOM 766 CG1 ILE B 36 64.262 5.629 43.830 1.00 64.11 C ATOM 767 CG2 ILE B 36 65.575 7.628 43.447 1.00 64.44 C ATOM 768 CD1 ILE B 36 63.689 5.396 42.422 1.00 64.51 C ATOM 769 N PRO B 37 65.570 9.474 46.533 1.00 64.88 N ATOM 770 CA PRO B 37 65.592 10.962 46.665 1.00 67.32 C ATOM 771 C PRO B 37 65.557 11.765 45.352 1.00 68.15 C ATOM 772 O PRO B 37 66.251 11.361 44.431 1.00 69.85 O ATOM 773 CB PRO B 37 66.880 11.240 47.456 1.00 65.78 C ATOM 774 CG PRO B 37 67.670 9.979 47.348 1.00 65.66 C ATOM 775 CD PRO B 37 66.702 8.848 47.228 1.00 65.48 C ATOM 776 N PRO B 38 64.740 12.881 45.261 1.00 69.58 N ATOM 777 CA PRO B 38 64.664 13.786 44.083 1.00 69.85 C ATOM 778 C PRO B 38 66.018 14.080 43.389 1.00 71.85 C ATOM 779 O PRO B 38 66.088 14.187 42.145 1.00 71.18 O ATOM 780 CB PRO B 38 64.028 15.073 44.665 1.00 69.37 C ATOM 781 CG PRO B 38 63.079 14.567 45.621 1.00 68.20 C ATOM 782 CD PRO B 38 63.799 13.366 46.306 1.00 70.20 C ATOM 783 N ASP B 39 67.098 14.175 44.158 1.00 73.11 N ATOM 784 CA ASP B 39 68.365 14.457 43.512 1.00 75.21 C ATOM 785 C ASP B 39 69.054 13.210 42.948 1.00 75.04 C ATOM 786 O ASP B 39 70.143 13.272 42.435 1.00 76.04 O ATOM 787 CB ASP B 39 69.265 15.321 44.403 1.00 75.64 C ATOM 788 CG ASP B 39 68.988 15.115 45.887 1.00 79.73 C ATOM 789 OD1 ASP B 39 69.223 13.999 46.426 1.00 83.57 O ATOM 790 OD2 ASP B 39 68.514 16.079 46.514 1.00 82.49 O ATOM 791 N GLN B 40 68.409 12.073 42.985 1.00 75.04 N ATOM 792 CA GLN B 40 69.005 10.931 42.370 1.00 74.92 C ATOM 793 C GLN B 40 68.188 10.607 41.123 1.00 72.05 C ATOM 794 O GLN B 40 68.298 9.472 40.586 1.00 72.70 O ATOM 795 CB GLN B 40 68.967 9.746 43.324 1.00 75.08 C ATOM 796 CG GLN B 40 70.338 9.128 43.750 1.00 79.45 C ATOM 797 CD GLN B 40 70.176 7.909 44.762 1.00 80.70 C ATOM 798 OE1 GLN B 40 71.181 7.303 45.231 1.00 89.82 O ATOM 799 NE2 GLN B 40 68.917 7.561 45.090 1.00 83.53 N ATOM 800 N GLN B 41 67.346 11.549 40.689 1.00 67.68 N ATOM 801 CA GLN B 41 66.370 11.218 39.656 1.00 64.81 C ATOM 802 C GLN B 41 66.543 12.057 38.428 1.00 64.09 C ATOM 803 O GLN B 41 66.584 13.244 38.561 1.00 63.78 O ATOM 804 CB GLN B 41 64.938 11.458 40.156 1.00 64.77 C ATOM 805 CG GLN B 41 64.433 10.406 41.123 1.00 63.39 C ATOM 806 CD GLN B 41 63.123 10.769 41.717 1.00 59.74 C ATOM 807 OE1 GLN B 41 62.233 11.078 40.999 1.00 59.05 O ATOM 808 NE2 GLN B 41 62.981 10.677 43.047 1.00 51.18 N ATOM 809 N ARG B 42 66.602 11.449 37.247 1.00 62.49 N ATOM 810 CA ARG B 42 66.454 12.173 35.998 1.00 63.22 C ATOM 811 C ARG B 42 65.259 11.667 35.250 1.00 64.28 C ATOM 812 O ARG B 42 65.139 10.451 35.006 1.00 66.14 O ATOM 813 CB ARG B 42 67.645 11.972 35.072 1.00 63.52 C ATOM 814 CG ARG B 42 68.972 12.266 35.638 1.00 63.17 C ATOM 815 CD ARG B 42 69.835 12.339 34.489 1.00 68.17 C ATOM 816 NE ARG B 42 71.182 12.624 34.900 1.00 68.01 N ATOM 817 CZ ARG B 42 71.701 13.859 35.011 1.00 72.58 C ATOM 818 NH1 ARG B 42 70.980 14.972 34.764 1.00 70.12 N ATOM 819 NH2 ARG B 42 72.967 13.988 35.406 1.00 67.99 N ATOM 820 N LEU B 43 64.358 12.564 34.843 1.00 63.98 N ATOM 821 CA LEU B 43 63.147 12.125 34.201 1.00 63.76 C ATOM 822 C LEU B 43 63.266 12.563 32.742 1.00 63.92 C ATOM 823 O LEU B 43 63.823 13.627 32.506 1.00 64.15 O ATOM 824 CB LEU B 43 61.962 12.801 34.889 1.00 62.93 C ATOM 825 CG LEU B 43 61.597 12.286 36.275 1.00 63.69 C ATOM 826 CD1 LEU B 43 60.469 13.233 36.899 1.00 62.95 C ATOM 827 CD2 LEU B 43 61.119 10.838 36.121 1.00 58.77 C ATOM 828 N ILE B 44 62.690 11.811 31.807 1.00 63.73 N ATOM 829 CA ILE B 44 62.837 12.010 30.303 1.00 62.43 C ATOM 830 C ILE B 44 61.460 11.895 29.752 1.00 62.18 C ATOM 831 O ILE B 44 60.686 11.038 30.245 1.00 60.55 O ATOM 832 CB ILE B 44 63.597 10.842 29.703 1.00 63.39 C ATOM 833 CG1 ILE B 44 65.103 10.990 29.955 1.00 65.91 C ATOM 834 CG2 ILE B 44 63.414 10.732 28.076 1.00 63.80 C ATOM 835 CD1 ILE B 44 65.749 9.664 30.116 1.00 70.49 C ATOM 836 N PHE B 45 61.103 12.783 28.810 1.00 62.08 N ATOM 837 CA PHE B 45 59.919 12.622 27.984 1.00 60.03 C ATOM 838 C PHE B 45 60.150 13.246 26.594 1.00 61.12 C ATOM 839 O PHE B 45 60.641 14.372 26.475 1.00 60.11 O ATOM 840 CB PHE B 45 58.707 13.230 28.680 1.00 61.06 C ATOM 841 CG PHE B 45 57.358 13.071 27.898 1.00 62.12 C ATOM 842 CD1 PHE B 45 56.722 11.874 27.829 1.00 62.17 C ATOM 843 CD2 PHE B 45 56.755 14.181 27.240 1.00 62.23 C ATOM 844 CE1 PHE B 45 55.518 11.747 27.117 1.00 64.41 C ATOM 845 CE2 PHE B 45 55.565 14.065 26.518 1.00 62.70 C ATOM 846 CZ PHE B 45 54.941 12.840 26.446 1.00 59.72 C ATOM 847 N ALA B 46 59.779 12.516 25.526 1.00 59.39 N ATOM 848 CA ALA B 46 59.802 13.089 24.185 1.00 59.37 C ATOM 849 C ALA B 46 61.230 13.565 23.980 1.00 59.66 C ATOM 850 O ALA B 46 61.451 14.640 23.493 1.00 61.24 O ATOM 851 CB ALA B 46 58.721 14.251 23.916 1.00 57.12 C ATOM 852 N GLY B 47 62.221 12.765 24.367 1.00 60.95 N ATOM 853 CA GLY B 47 63.551 13.123 23.943 1.00 61.39 C ATOM 854 C GLY B 47 64.244 14.190 24.795 1.00 63.17 C ATOM 855 O GLY B 47 65.280 14.658 24.395 1.00 65.02 O ATOM 856 N LYS B 48 63.747 14.521 25.989 1.00 63.45 N ATOM 857 CA LYS B 48 64.279 15.645 26.699 1.00 65.63 C ATOM 858 C LYS B 48 64.348 15.240 28.152 1.00 63.53 C ATOM 859 O LYS B 48 63.483 14.567 28.600 1.00 63.29 O ATOM 860 CB LYS B 48 63.330 16.848 26.556 1.00 66.68 C ATOM 861 CG LYS B 48 63.688 17.820 25.464 1.00 78.01 C ATOM 862 CD LYS B 48 62.408 18.387 24.834 1.00 89.42 C ATOM 863 CE LYS B 48 62.067 17.619 23.433 1.00 95.21 C ATOM 864 NZ LYS B 48 60.970 18.303 22.562 1.00 92.65 N ATOM 865 N GLN B 49 65.365 15.685 28.869 1.00 62.35 N ATOM 866 CA GLN B 49 65.378 15.662 30.371 1.00 62.56 C ATOM 867 C GLN B 49 64.508 16.755 30.972 1.00 63.63 C ATOM 868 O GLN B 49 64.583 17.889 30.560 1.00 63.47 O ATOM 869 CB GLN B 49 66.798 15.864 30.858 1.00 61.79 C ATOM 870 CG GLN B 49 67.565 14.611 30.719 1.00 62.04 C ATOM 871 CD GLN B 49 68.890 14.749 31.305 1.00 65.95 C ATOM 872 OE1 GLN B 49 69.055 14.761 32.543 1.00 68.89 O ATOM 873 NE2 GLN B 49 69.854 14.785 30.471 1.00 57.50 N ATOM 874 N LEU B 50 63.663 16.416 31.920 1.00 64.81 N ATOM 875 CA LEU B 50 62.643 17.359 32.422 1.00 65.58 C ATOM 876 C LEU B 50 63.279 18.273 33.499 1.00 66.03 C ATOM 877 O LEU B 50 64.052 17.766 34.297 1.00 66.36 O ATOM 878 CB LEU B 50 61.466 16.562 32.972 1.00 63.01 C ATOM 879 CG LEU B 50 60.816 15.681 31.883 1.00 62.87 C ATOM 880 CD1 LEU B 50 59.481 15.110 32.305 1.00 64.15 C ATOM 881 CD2 LEU B 50 60.689 16.331 30.550 1.00 58.79 C ATOM 882 N GLU B 51 63.020 19.594 33.480 1.00 66.32 N ATOM 883 CA GLU B 51 63.627 20.513 34.500 1.00 68.27 C ATOM 884 C GLU B 51 62.745 20.730 35.719 1.00 67.94 C ATOM 885 O GLU B 51 61.541 20.924 35.562 1.00 67.40 O ATOM 886 CB GLU B 51 63.900 21.875 33.891 1.00 68.68 C ATOM 887 CG GLU B 51 64.253 21.693 32.453 1.00 75.72 C ATOM 888 CD GLU B 51 65.576 22.334 32.122 1.00 86.51 C ATOM 889 OE1 GLU B 51 66.641 21.675 32.345 1.00 89.47 O ATOM 890 OE2 GLU B 51 65.527 23.497 31.636 1.00 86.70 O ATOM 891 N ASP B 52 63.368 20.742 36.897 1.00 68.39 N ATOM 892 CA ASP B 52 62.689 20.902 38.178 1.00 70.15 C ATOM 893 C ASP B 52 61.664 22.043 38.304 1.00 70.80 C ATOM 894 O ASP B 52 60.604 21.874 38.974 1.00 72.32 O ATOM 895 CB ASP B 52 63.684 20.870 39.358 1.00 70.19 C ATOM 896 CG ASP B 52 64.179 19.449 39.633 1.00 75.40 C ATOM 897 OD1 ASP B 52 64.034 18.602 38.702 1.00 78.48 O ATOM 898 OD2 ASP B 52 64.709 19.136 40.742 1.00 80.16 O ATOM 899 N GLY B 53 61.927 23.186 37.673 1.00 70.17 N ATOM 900 CA GLY B 53 61.011 24.303 37.819 1.00 68.80 C ATOM 901 C GLY B 53 59.870 24.399 36.834 1.00 68.53 C ATOM 902 O GLY B 53 59.148 25.347 36.926 1.00 69.11 O ATOM 903 N ARG B 54 59.738 23.453 35.875 1.00 68.85 N ATOM 904 CA ARG B 54 58.698 23.468 34.792 1.00 67.40 C ATOM 905 C ARG B 54 57.625 22.505 35.259 1.00 66.37 C ATOM 906 O ARG B 54 57.843 21.774 36.247 1.00 66.57 O ATOM 907 CB ARG B 54 59.195 22.969 33.404 1.00 64.89 C ATOM 908 CG ARG B 54 60.569 23.369 32.913 1.00 66.38 C ATOM 909 CD ARG B 54 60.828 24.827 32.516 1.00 65.01 C ATOM 910 NE ARG B 54 59.634 25.472 32.026 1.00 68.35 N ATOM 911 CZ ARG B 54 59.569 26.717 31.527 1.00 65.97 C ATOM 912 NH1 ARG B 54 60.681 27.430 31.409 1.00 66.44 N ATOM 913 NH2 ARG B 54 58.383 27.229 31.124 1.00 63.74 N ATOM 914 N THR B 55 56.507 22.456 34.531 1.00 65.03 N ATOM 915 CA THR B 55 55.344 21.645 34.924 1.00 63.21 C ATOM 916 C THR B 55 55.101 20.639 33.822 1.00 64.48 C ATOM 917 O THR B 55 55.618 20.788 32.677 1.00 63.60 O ATOM 918 CB THR B 55 54.116 22.483 35.067 1.00 63.12 C ATOM 919 OG1 THR B 55 53.935 23.156 33.819 1.00 61.65 O ATOM 920 CG2 THR B 55 54.257 23.543 36.225 1.00 58.02 C ATOM 921 N LEU B 56 54.369 19.566 34.180 1.00 64.08 N ATOM 922 CA LEU B 56 53.979 18.558 33.209 1.00 62.75 C ATOM 923 C LEU B 56 53.325 19.175 31.977 1.00 63.45 C ATOM 924 O LEU B 56 53.737 18.903 30.882 1.00 63.20 O ATOM 925 CB LEU B 56 52.993 17.629 33.843 1.00 63.29 C ATOM 926 CG LEU B 56 53.495 16.805 34.990 1.00 62.53 C ATOM 927 CD1 LEU B 56 52.301 16.023 35.523 1.00 59.68 C ATOM 928 CD2 LEU B 56 54.677 15.944 34.447 1.00 65.75 C ATOM 929 N SER B 57 52.325 20.038 32.142 1.00 63.43 N ATOM 930 CA SER B 57 51.779 20.707 30.968 1.00 64.48 C ATOM 931 C SER B 57 52.793 21.425 30.076 1.00 66.35 C ATOM 932 O SER B 57 52.553 21.529 28.858 1.00 68.72 O ATOM 933 CB SER B 57 50.690 21.686 31.337 1.00 63.53 C ATOM 934 OG SER B 57 51.300 22.755 31.977 1.00 60.80 O ATOM 935 N ASP B 58 53.904 21.933 30.637 1.00 66.63 N ATOM 936 CA ASP B 58 54.906 22.629 29.803 1.00 66.61 C ATOM 937 C ASP B 58 55.439 21.657 28.747 1.00 66.65 C ATOM 938 O ASP B 58 55.903 22.037 27.673 1.00 68.40 O ATOM 939 CB ASP B 58 56.054 23.203 30.628 1.00 66.02 C ATOM 940 CG ASP B 58 55.681 24.434 31.348 1.00 66.52 C ATOM 941 OD1 ASP B 58 56.395 24.801 32.305 1.00 70.08 O ATOM 942 OD2 ASP B 58 54.669 25.067 30.983 1.00 67.34 O ATOM 943 N TYR B 59 55.326 20.387 29.029 1.00 65.44 N ATOM 944 CA TYR B 59 55.873 19.401 28.127 1.00 65.06 C ATOM 945 C TYR B 59 54.779 18.656 27.327 1.00 65.03 C ATOM 946 O TYR B 59 55.104 17.697 26.575 1.00 62.88 O ATOM 947 CB TYR B 59 56.756 18.415 28.913 1.00 64.35 C ATOM 948 CG TYR B 59 58.027 19.030 29.490 1.00 65.42 C ATOM 949 CD1 TYR B 59 59.115 19.364 28.683 1.00 63.80 C ATOM 950 CD2 TYR B 59 58.131 19.277 30.882 1.00 65.74 C ATOM 951 CE1 TYR B 59 60.265 19.902 29.260 1.00 64.83 C ATOM 952 CE2 TYR B 59 59.253 19.805 31.446 1.00 62.36 C ATOM 953 CZ TYR B 59 60.313 20.124 30.668 1.00 65.60 C ATOM 954 OH TYR B 59 61.431 20.663 31.331 1.00 65.50 O ATOM 955 N ASN B 60 53.513 19.092 27.491 1.00 65.51 N ATOM 956 CA ASN B 60 52.426 18.403 26.862 1.00 66.76 C ATOM 957 C ASN B 60 52.355 16.956 27.277 1.00 66.40 C ATOM 958 O ASN B 60 52.031 16.055 26.448 1.00 65.34 O ATOM 959 CB ASN B 60 52.654 18.346 25.371 1.00 68.21 C ATOM 960 CG ASN B 60 51.376 18.108 24.624 1.00 73.37 C ATOM 961 OD1 ASN B 60 50.266 18.294 25.182 1.00 72.42 O ATOM 962 ND2 ASN B 60 51.504 17.710 23.354 1.00 77.86 N ATOM 963 N ILE B 61 52.711 16.740 28.537 1.00 65.84 N ATOM 964 CA ILE B 61 52.508 15.476 29.207 1.00 65.91 C ATOM 965 C ILE B 61 50.995 15.430 29.649 1.00 66.65 C ATOM 966 O ILE B 61 50.610 16.140 30.571 1.00 67.96 O ATOM 967 CB ILE B 61 53.425 15.341 30.397 1.00 62.59 C ATOM 968 CG1 ILE B 61 54.858 15.228 29.922 1.00 62.05 C ATOM 969 CG2 ILE B 61 53.014 14.152 31.202 1.00 64.38 C ATOM 970 CD1 ILE B 61 55.919 15.312 30.992 1.00 60.19 C ATOM 971 N GLN B 62 50.202 14.578 28.982 1.00 67.41 N ATOM 972 CA GLN B 62 48.762 14.382 29.195 1.00 68.39 C ATOM 973 C GLN B 62 48.436 13.061 29.875 1.00 68.68 C ATOM 974 O GLN B 62 49.343 12.333 30.277 1.00 69.86 O ATOM 975 CB GLN B 62 48.119 14.346 27.836 1.00 68.77 C ATOM 976 CG GLN B 62 48.306 15.642 27.066 1.00 73.47 C ATOM 977 CD GLN B 62 47.574 15.613 25.760 1.00 81.49 C ATOM 978 OE1 GLN B 62 47.627 16.566 24.990 1.00 83.39 O ATOM 979 NE2 GLN B 62 46.836 14.515 25.508 1.00 85.48 N ATOM 980 N LYS B 63 47.152 12.737 29.978 1.00 69.20 N ATOM 981 CA LYS B 63 46.673 11.533 30.670 1.00 69.21 C ATOM 982 C LYS B 63 47.342 10.346 30.063 1.00 67.16 C ATOM 983 O LYS B 63 47.380 10.232 28.843 1.00 66.53 O ATOM 984 CB LYS B 63 45.149 11.365 30.547 1.00 70.70 C ATOM 985 CG LYS B 63 44.621 11.211 29.076 1.00 75.89 C ATOM 986 CD LYS B 63 44.202 12.607 28.333 1.00 86.47 C ATOM 987 CE LYS B 63 43.774 12.429 26.802 1.00 84.36 C ATOM 988 NZ LYS B 63 45.030 11.891 26.037 1.00 88.91 N ATOM 989 N GLU B 64 47.833 9.441 30.896 1.00 65.86 N ATOM 990 CA GLU B 64 48.460 8.209 30.375 1.00 66.86 C ATOM 991 C GLU B 64 49.839 8.336 29.679 1.00 65.34 C ATOM 992 O GLU B 64 50.255 7.447 28.982 1.00 66.13 O ATOM 993 CB GLU B 64 47.524 7.519 29.395 1.00 67.18 C ATOM 994 CG GLU B 64 46.841 6.284 29.926 1.00 72.85 C ATOM 995 CD GLU B 64 45.578 6.579 30.665 1.00 78.05 C ATOM 996 OE1 GLU B 64 44.563 6.876 29.986 1.00 77.43 O ATOM 997 OE2 GLU B 64 45.618 6.481 31.922 1.00 82.16 O ATOM 998 N SER B 65 50.512 9.448 29.843 1.00 64.47 N ATOM 999 CA SER B 65 51.795 9.662 29.212 1.00 64.37 C ATOM 1000 C SER B 65 52.752 8.763 29.960 1.00 63.46 C ATOM 1001 O SER B 65 52.498 8.507 31.164 1.00 63.29 O ATOM 1002 CB SER B 65 52.216 11.144 29.352 1.00 62.90 C ATOM 1003 OG SER B 65 51.645 11.825 28.260 1.00 65.41 O ATOM 1004 N THR B 66 53.807 8.297 29.265 1.00 61.50 N ATOM 1005 CA THR B 66 54.854 7.467 29.865 1.00 60.44 C ATOM 1006 C THR B 66 56.184 8.262 29.792 1.00 61.48 C ATOM 1007 O THR B 66 56.607 8.761 28.709 1.00 61.41 O ATOM 1008 CB THR B 66 54.982 6.170 29.023 1.00 61.87 C ATOM 1009 OG1 THR B 66 53.682 5.592 28.825 1.00 63.57 O ATOM 1010 CG2 THR B 66 55.851 5.140 29.656 1.00 60.94 C ATOM 1011 N LEU B 67 56.834 8.408 30.942 1.00 61.81 N ATOM 1012 CA LEU B 67 58.127 9.081 31.091 1.00 61.62 C ATOM 1013 C LEU B 67 59.083 7.964 31.383 1.00 63.00 C ATOM 1014 O LEU B 67 58.655 6.851 31.695 1.00 65.55 O ATOM 1015 CB LEU B 67 58.114 10.018 32.308 1.00 59.76 C ATOM 1016 CG LEU B 67 57.384 11.357 32.189 1.00 61.65 C ATOM 1017 CD1 LEU B 67 55.901 11.170 31.772 1.00 55.84 C ATOM 1018 CD2 LEU B 67 57.438 12.083 33.620 1.00 60.31 C ATOM 1019 N HIS B 68 60.380 8.228 31.326 1.00 64.25 N ATOM 1020 CA HIS B 68 61.404 7.274 31.798 1.00 64.53 C ATOM 1021 C HIS B 68 62.196 7.858 32.951 1.00 64.98 C ATOM 1022 O HIS B 68 62.343 9.053 33.012 1.00 67.14 O ATOM 1023 CB HIS B 68 62.295 6.909 30.654 1.00 62.13 C ATOM 1024 CG HIS B 68 61.705 5.828 29.798 1.00 65.40 C ATOM 1025 ND1 HIS B 68 60.718 6.078 28.852 1.00 61.43 N ATOM 1026 CD2 HIS B 68 61.987 4.487 29.722 1.00 56.63 C ATOM 1027 CE1 HIS B 68 60.477 4.955 28.179 1.00 55.50 C ATOM 1028 NE2 HIS B 68 61.212 3.981 28.706 1.00 57.07 N ATOM 1029 N LEU B 69 62.581 7.040 33.926 1.00 64.94 N ATOM 1030 CA LEU B 69 63.384 7.480 35.080 1.00 64.16 C ATOM 1031 C LEU B 69 64.735 6.878 34.956 1.00 66.51 C ATOM 1032 O LEU B 69 64.845 5.634 34.664 1.00 66.72 O ATOM 1033 CB LEU B 69 62.797 6.976 36.396 1.00 64.25 C ATOM 1034 CG LEU B 69 63.531 7.184 37.769 1.00 62.42 C ATOM 1035 CD1 LEU B 69 63.729 8.607 38.031 1.00 56.92 C ATOM 1036 CD2 LEU B 69 62.590 6.566 38.895 1.00 61.67 C ATOM 1037 N VAL B 70 65.794 7.705 35.152 1.00 66.60 N ATOM 1038 CA VAL B 70 67.172 7.186 35.189 1.00 65.52 C ATOM 1039 C VAL B 70 67.692 7.672 36.543 1.00 67.13 C ATOM 1040 O VAL B 70 67.356 8.733 37.013 1.00 67.33 O ATOM 1041 CB VAL B 70 68.074 7.736 33.957 1.00 66.82 C ATOM 1042 CG1 VAL B 70 69.575 7.458 34.192 1.00 67.77 C ATOM 1043 CG2 VAL B 70 67.636 7.132 32.577 1.00 62.70 C ATOM 1044 N LEU B 71 68.567 6.914 37.162 1.00 68.58 N ATOM 1045 CA LEU B 71 69.178 7.273 38.386 1.00 68.97 C ATOM 1046 C LEU B 71 70.433 8.116 38.173 1.00 68.66 C ATOM 1047 O LEU B 71 71.265 7.720 37.383 1.00 68.63 O ATOM 1048 CB LEU B 71 69.600 5.942 39.014 1.00 70.44 C ATOM 1049 CG LEU B 71 68.965 5.822 40.410 1.00 75.60 C ATOM 1050 CD1 LEU B 71 67.348 5.729 40.307 1.00 76.45 C ATOM 1051 CD2 LEU B 71 69.624 4.691 41.150 1.00 76.98 C ATOM 1052 N ARG B 72 70.576 9.244 38.896 1.00 67.95 N ATOM 1053 CA ARG B 72 71.784 10.032 38.969 1.00 67.57 C ATOM 1054 C ARG B 72 72.728 9.472 40.005 1.00 66.55 C ATOM 1055 O ARG B 72 72.335 9.186 41.169 1.00 65.25 O ATOM 1056 CB ARG B 72 71.488 11.450 39.465 1.00 68.87 C ATOM 1057 CG ARG B 72 71.224 12.541 38.482 1.00 71.44 C ATOM 1058 CD ARG B 72 71.638 13.916 39.103 1.00 79.47 C ATOM 1059 NE ARG B 72 71.117 15.009 38.252 1.00 95.22 N ATOM 1060 CZ ARG B 72 69.825 15.446 38.185 1.00104.51 C ATOM 1061 NH1 ARG B 72 68.844 14.953 38.976 1.00104.19 N ATOM 1062 NH2 ARG B 72 69.488 16.408 37.295 1.00108.40 N ATOM 1063 N LEU B 73 74.001 9.390 39.613 1.00 66.36 N ATOM 1064 CA LEU B 73 75.086 8.848 40.476 1.00 65.82 C ATOM 1065 C LEU B 73 76.077 9.942 40.824 1.00 66.30 C ATOM 1066 O LEU B 73 75.887 11.030 40.298 1.00 67.21 O ATOM 1067 CB LEU B 73 75.768 7.620 39.849 1.00 64.42 C ATOM 1068 CG LEU B 73 74.839 6.429 39.555 1.00 62.05 C ATOM 1069 CD1 LEU B 73 75.532 5.382 38.759 1.00 57.59 C ATOM 1070 CD2 LEU B 73 74.233 5.826 40.851 1.00 56.88 C ATOM 1071 N ARG B 74 77.020 9.822 41.603 1.00 67.39 N TER 1072 ARG B 74 HETATM 1073 ZN ZN A 500 39.320 7.329 9.066 1.00 74.20 ZN HETATM 1074 O HOH A2001 34.055 16.331 0.473 1.00 83.00 O HETATM 1075 O HOH A2002 47.817 8.298 5.234 1.00 85.27 O HETATM 1076 O HOH A2003 36.642 1.316 2.821 1.00 76.82 O HETATM 1077 O HOH A2004 37.960 19.508 16.577 1.00 75.18 O HETATM 1078 O HOH A2005 43.288 7.397 23.291 1.00 77.77 O HETATM 1079 O HOH A2006 49.036 9.688 26.106 1.00 62.57 O HETATM 1080 O HOH A2007 45.568 5.434 21.443 1.00 73.83 O HETATM 1081 O HOH A2008 53.452 8.661 26.263 1.00 54.82 O HETATM 1082 O HOH A2009 59.970 0.613 24.731 1.00 73.28 O HETATM 1083 O HOH A2010 61.782 -1.054 24.903 1.00 67.62 O HETATM 1084 O HOH A2011 66.544 8.357 21.700 1.00 59.43 O HETATM 1085 O HOH A2012 70.093 3.219 23.484 1.00 58.12 O HETATM 1086 O HOH A2013 69.720 -1.402 31.847 1.00 63.49 O HETATM 1087 O HOH B2001 60.087 1.491 27.457 1.00 57.91 O HETATM 1088 O HOH B2002 60.662 -1.369 32.848 1.00 70.29 O HETATM 1089 O HOH B2003 58.472 -3.083 43.533 1.00 73.19 O HETATM 1090 O HOH B2004 56.137 -2.446 37.967 1.00 58.82 O HETATM 1091 O HOH B2005 51.193 9.748 43.173 1.00 71.85 O HETATM 1092 O HOH B2006 44.000 15.554 36.044 1.00 78.24 O HETATM 1093 O HOH B2007 47.219 15.073 41.690 1.00 64.63 O HETATM 1094 O HOH B2008 49.009 16.741 42.532 1.00 68.06 O HETATM 1095 O HOH B2009 46.280 19.662 42.952 1.00 85.83 O HETATM 1096 O HOH B2010 53.512 17.243 43.767 1.00 88.15 O HETATM 1097 O HOH B2011 53.884 15.813 46.059 1.00 87.32 O HETATM 1098 O HOH B2012 52.619 11.650 47.057 1.00 71.54 O HETATM 1099 O HOH B2013 66.348 16.316 40.811 1.00 70.35 O HETATM 1100 O HOH B2014 67.568 15.694 34.614 1.00 58.48 O HETATM 1101 O HOH B2015 64.936 15.459 35.450 1.00 57.14 O HETATM 1102 O HOH B2016 66.985 18.919 36.976 1.00 65.64 O HETATM 1103 O HOH B2017 66.502 20.958 36.630 1.00 71.27 O HETATM 1104 O HOH B2018 52.143 24.730 30.516 1.00 63.96 O HETATM 1105 O HOH B2019 63.153 21.781 29.593 1.00 62.29 O HETATM 1106 O HOH B2020 51.832 6.585 27.162 1.00 57.87 O HETATM 1107 O HOH B2021 51.547 11.110 25.665 1.00 79.62 O HETATM 1108 O HOH B2022 53.520 2.747 29.575 1.00 61.53 O HETATM 1109 O HOH B2023 59.207 8.297 28.203 1.00 48.27 O HETATM 1110 O HOH B2024 65.782 3.202 35.319 1.00 54.44 O CONECT 22 1073 CONECT 50 1073 CONECT 146 1073 CONECT 167 1073 CONECT 1073 22 50 146 167 MASTER 452 0 1 5 5 0 1 6 1108 2 5 12 END
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Related entries of code: 2c7m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
2c7n
RCSB PDB
PDBbind
74aa, >2C7N_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1otr
RCSB PDB
PDBbind
ubiquitin
1p3q
RCSB PDB
PDBbind
ubiquitin
1q0w
RCSB PDB
PDBbind
ubiquitin
1s1q
RCSB PDB
PDBbind
Ubiquitin
1wr1
RCSB PDB
PDBbind
ubiquitin
1wr6
RCSB PDB
PDBbind
ubiquitin
1wrd
RCSB PDB
PDBbind
ubiquitin
1yx5
RCSB PDB
PDBbind
Ubiquitin
1yx6
RCSB PDB
PDBbind
Ubiquitin
2c7n
RCSB PDB
PDBbind
ubiquitin
2den
RCSB PDB
PDBbind
Ubiquitin
2dx5
RCSB PDB
PDBbind
Ubiquitin
2fuh
RCSB PDB
PDBbind
Ubiquitin
2g45
RCSB PDB
PDBbind
ubiquitin
2hd5
RCSB PDB
PDBbind
ubiquitin
2hth
RCSB PDB
PDBbind
ubiquitin
2jt4
RCSB PDB
PDBbind
Ubiquitin
2k6d
RCSB PDB
PDBbind
ubiquitin
2kwu
RCSB PDB
PDBbind
Ubiquitin
2kwv
RCSB PDB
PDBbind
Ubiquitin
2lvo
RCSB PDB
PDBbind
ubiquitin
2mbb
RCSB PDB
PDBbind
Ubiquitin
2mcn
RCSB PDB
PDBbind
Ubiquitin
2mj5
RCSB PDB
PDBbind
Ubiquitin
2mur
RCSB PDB
PDBbind
Ubiquitin
2oob
RCSB PDB
PDBbind
ubiquitin
2qho
RCSB PDB
PDBbind
ubiquitin
2xbb
RCSB PDB
PDBbind
UBIQUITIN
3olm
RCSB PDB
PDBbind
Ubiquitin
4hcn
RCSB PDB
PDBbind
ubiquitin
4i6l
RCSB PDB
PDBbind
Ubiquitin
4k1r
RCSB PDB
PDBbind
Ubiquitin
4m0w
RCSB PDB
PDBbind
ubiquitin
4msm
RCSB PDB
PDBbind
Ubiquitin
Entry Information
PDB ID
2c7m
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
RUZ-MIU
Ligand Name
ubiquitin
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=6.4uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Cell. (2006) 124, pp. 1183-95
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):
Q9UJ41
P0CH28
Entrez Gene ID
NCBI Entrez Gene ID:
27342
444874
ASD
Information of known allosteric effects of PDB entries
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