Browse entries in the PDBbind-CN Database
HEADER LIGASE 25-JAN-07 2OOB TITLE CRYSTAL STRUCTURE OF THE UBA DOMAIN FROM CBL-B UBIQUITIN TITLE 2 LIGASE IN COMPLEX WITH UBIQUITIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE CBL-B; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBA DOMAIN; COMPND 5 SYNONYM: SIGNAL TRANSDUCTION PROTEIN CBL-B, SH3-BINDING COMPND 6 PROTEIN CBL-B, CASITAS B-LINEAGE LYMPHOMA PROTO-ONCOGENE B, COMPND 7 RING FINGER PROTEIN 56; COMPND 8 EC: 6.3.2.-; COMPND 9 ENGINEERED: YES; COMPND 10 MOL_ID: 2; COMPND 11 MOLECULE: UBIQUITIN; COMPND 12 CHAIN: B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CBLB, RNF56; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1; SOURCE 11 MOL_ID: 2; SOURCE 12 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 13 ORGANISM_COMMON: CATTLE; SOURCE 14 ORGANISM_TAXID: 9913 KEYWDS PROTEIN-PROTEIN COMPLEX, LIGASE EXPDTA X-RAY DIFFRACTION AUTHOR G.KOZLOV,K.GEHRING REVDAT 2 05-AUG-08 2OOB 1 JRNL VERSN REVDAT 1 06-FEB-07 2OOB 0 JRNL AUTH P.PESCHARD,G.KOZLOV,T.LIN,I.A.MIRZA,A.M.BERGHUIS, JRNL AUTH 2 S.LIPKOWITZ,M.PARK,K.GEHRING JRNL TITL STRUCTURAL BASIS FOR UBIQUITIN-MEDIATED JRNL TITL 2 DIMERIZATION AND ACTIVATION OF THE UBIQUITIN JRNL TITL 3 PROTEIN LIGASE CBL-B. JRNL REF MOL.CELL V. 27 474 2007 JRNL REFN ISSN 1097-2765 JRNL PMID 17679095 JRNL DOI 10.1016/J.MOLCEL.2007.06.023 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.15 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 10076 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) : 0.199 REMARK 3 R VALUE (WORKING SET) : 0.197 REMARK 3 FREE R VALUE : 0.256 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 505 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95 REMARK 3 REFLECTION IN BIN (WORKING SET) : 671 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 90.49 REMARK 3 BIN R VALUE (WORKING SET) : 0.2230 REMARK 3 BIN FREE R VALUE SET COUNT : 43 REMARK 3 BIN FREE R VALUE : 0.3680 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 924 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 134 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.01000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.162 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.161 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.108 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.620 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.946 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.897 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 933 ; 0.017 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1253 ; 1.753 ; 1.982 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 114 ; 6.203 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 45 ;29.879 ;25.556 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 186 ;15.133 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;17.774 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 147 ; 0.147 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 679 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 406 ; 0.211 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 640 ; 0.312 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 112 ; 0.176 ; 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): 58 ; 0.231 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.242 ; 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): 593 ; 1.042 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 929 ; 1.728 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 373 ; 2.888 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 324 ; 4.777 ; 4.500 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 : NULL 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: NULL REMARK 4 REMARK 4 2OOB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JAN-07. REMARK 100 THE RCSB ID CODE IS RCSB041383. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-APR-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : OSMIC MULTILAYER CONFOCAL REMARK 200 OPTICS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10568 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 6.900 REMARK 200 R MERGE (I) : 0.04100 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 29.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.7 REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 REMARK 200 R MERGE FOR SHELL (I) : 0.12800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 10.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRIES 1UBQ, 2OOA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.59 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M CALCIUM CHLORIDE, 0.1M SODIUM REMARK 280 ACETATE, 20% PEG6000, PH 5.0, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 25.30400 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 27.39200 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 47.31050 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 25.30400 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 27.39200 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 47.31050 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 25.30400 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 27.39200 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 47.31050 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 25.30400 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 27.39200 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 47.31050 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 110 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 150 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 922 REMARK 465 SER A 923 REMARK 465 GLY A 924 REMARK 465 PRO A 925 REMARK 465 GLU A 926 REMARK 465 ALA A 927 REMARK 465 ALA A 928 REMARK 465 PRO A 973 REMARK 465 LEU B 73 REMARK 465 ARG B 74 REMARK 465 GLY B 75 REMARK 465 GLY B 76 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 OE1 GLU B 64 O HOH B 157 2.17 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 ASN A 931 55.37 -111.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2OO9 RELATED DB: PDB REMARK 900 RELATED ID: 2OOA RELATED DB: PDB REMARK 900 CBL-B UBA DBREF 2OOB A 924 973 UNP Q13191 CBLB_HUMAN 924 973 DBREF 2OOB B 1 76 UNP P62990 UBIQ_BOVIN 1 76 SEQADV 2OOB GLY A 922 UNP Q13191 CLONING ARTIFACT SEQADV 2OOB SER A 923 UNP Q13191 CLONING ARTIFACT SEQRES 1 A 52 GLY SER GLY PRO GLU ALA ALA LEU GLU ASN VAL ASP ALA SEQRES 2 A 52 LYS ILE ALA LYS LEU MET GLY GLU GLY TYR ALA PHE GLU SEQRES 3 A 52 GLU VAL LYS ARG ALA LEU GLU ILE ALA GLN ASN ASN VAL SEQRES 4 A 52 GLU VAL ALA ARG SER ILE LEU ARG GLU PHE ALA PHE PRO 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 FORMUL 3 HOH *134(H2 O) HELIX 1 1 ASN A 931 GLU A 942 1 12 HELIX 2 2 ALA A 945 ALA A 956 1 12 HELIX 3 3 ASN A 959 ALA A 971 1 13 HELIX 4 4 THR B 22 GLY B 35 1 14 HELIX 5 5 PRO B 37 ASP B 39 5 3 HELIX 6 6 LEU B 56 ASN B 60 5 5 SHEET 1 A 5 THR B 12 GLU B 16 0 SHEET 2 A 5 GLN B 2 LYS B 6 -1 N VAL B 5 O ILE B 13 SHEET 3 A 5 THR B 66 LEU B 71 1 O LEU B 67 N PHE B 4 SHEET 4 A 5 GLN B 41 PHE B 45 -1 N ARG B 42 O VAL B 70 SHEET 5 A 5 LYS B 48 GLN B 49 -1 O LYS B 48 N PHE B 45 CRYST1 50.608 54.784 94.621 90.00 90.00 90.00 I 2 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019760 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018254 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010568 0.00000 ATOM 1 N LEU A 929 26.117 -5.693 15.769 1.00 29.81 N ATOM 2 CA LEU A 929 27.153 -4.857 15.061 1.00 29.93 C ATOM 3 C LEU A 929 26.486 -3.835 14.143 1.00 29.74 C ATOM 4 O LEU A 929 26.790 -2.625 14.181 1.00 29.50 O ATOM 5 CB LEU A 929 28.096 -5.742 14.248 1.00 30.37 C ATOM 6 CG LEU A 929 29.617 -5.471 14.154 1.00 28.52 C ATOM 7 CD1 LEU A 929 30.109 -5.719 12.711 1.00 27.72 C ATOM 8 CD2 LEU A 929 30.111 -4.134 14.702 1.00 25.22 C ATOM 9 N GLU A 930 25.592 -4.316 13.283 1.00 29.50 N ATOM 10 CA GLU A 930 24.720 -3.411 12.581 1.00 29.52 C ATOM 11 C GLU A 930 23.799 -3.032 13.722 1.00 28.84 C ATOM 12 O GLU A 930 23.834 -3.649 14.790 1.00 30.73 O ATOM 13 CB GLU A 930 24.057 -4.070 11.368 1.00 30.31 C ATOM 14 CG GLU A 930 25.092 -4.539 10.271 1.00 32.29 C ATOM 15 CD GLU A 930 26.361 -3.610 10.128 1.00 33.77 C ATOM 16 OE1 GLU A 930 26.199 -2.374 9.952 1.00 35.75 O ATOM 17 OE2 GLU A 930 27.517 -4.127 10.199 1.00 32.22 O ATOM 18 N ASN A 931 23.064 -1.967 13.629 1.00 27.08 N ATOM 19 CA ASN A 931 22.627 -1.491 14.972 1.00 24.79 C ATOM 20 C ASN A 931 21.131 -1.716 15.039 1.00 21.71 C ATOM 21 O ASN A 931 20.392 -0.807 15.330 1.00 20.44 O ATOM 22 CB ASN A 931 23.051 -0.021 15.168 1.00 24.40 C ATOM 23 CG ASN A 931 23.184 0.410 16.651 1.00 25.91 C ATOM 24 OD1 ASN A 931 23.037 -0.377 17.613 1.00 26.29 O ATOM 25 ND2 ASN A 931 23.449 1.699 16.827 1.00 26.39 N ATOM 26 N VAL A 932 20.715 -2.967 14.802 1.00 19.44 N ATOM 27 CA VAL A 932 19.317 -3.241 14.414 1.00 18.49 C ATOM 28 C VAL A 932 18.230 -2.792 15.396 1.00 16.51 C ATOM 29 O VAL A 932 17.280 -2.124 14.973 1.00 16.08 O ATOM 30 CB VAL A 932 19.089 -4.686 13.880 1.00 19.25 C ATOM 31 CG1 VAL A 932 17.615 -4.913 13.531 1.00 20.18 C ATOM 32 CG2 VAL A 932 19.942 -4.876 12.601 1.00 20.29 C ATOM 33 N ASP A 933 18.390 -3.151 16.665 1.00 14.44 N ATOM 34 CA ASP A 933 17.419 -2.787 17.711 1.00 13.12 C ATOM 35 C ASP A 933 17.374 -1.266 17.822 1.00 11.75 C ATOM 36 O ASP A 933 16.299 -0.698 17.955 1.00 10.97 O ATOM 37 CB ASP A 933 17.827 -3.363 19.061 1.00 12.60 C ATOM 38 CG ASP A 933 17.624 -4.878 19.165 1.00 14.67 C ATOM 39 OD1 ASP A 933 18.073 -5.413 20.195 1.00 14.47 O ATOM 40 OD2 ASP A 933 17.023 -5.511 18.251 1.00 16.37 O ATOM 41 N ALA A 934 18.540 -0.603 17.782 1.00 10.80 N ATOM 42 CA ALA A 934 18.553 0.895 17.848 1.00 11.56 C ATOM 43 C ALA A 934 17.863 1.493 16.630 1.00 12.27 C ATOM 44 O ALA A 934 17.145 2.501 16.753 1.00 12.08 O ATOM 45 CB ALA A 934 20.003 1.474 17.974 1.00 12.40 C ATOM 46 N LYS A 935 18.070 0.875 15.462 1.00 11.97 N ATOM 47 CA LYS A 935 17.440 1.342 14.211 1.00 12.60 C ATOM 48 C LYS A 935 15.921 1.104 14.231 1.00 12.45 C ATOM 49 O LYS A 935 15.166 1.992 13.818 1.00 12.53 O ATOM 50 CB LYS A 935 18.088 0.668 12.985 1.00 13.38 C ATOM 51 CG LYS A 935 19.521 1.152 12.754 1.00 13.04 C ATOM 52 CD LYS A 935 20.121 0.542 11.509 1.00 13.17 C ATOM 53 CE LYS A 935 21.534 1.063 11.268 1.00 14.86 C ATOM 54 NZ LYS A 935 22.026 0.174 10.138 1.00 16.40 N ATOM 55 N ILE A 936 15.488 -0.050 14.751 1.00 10.93 N ATOM 56 CA ILE A 936 14.052 -0.297 14.943 1.00 12.45 C ATOM 57 C ILE A 936 13.452 0.787 15.847 1.00 12.85 C ATOM 58 O ILE A 936 12.435 1.394 15.502 1.00 12.24 O ATOM 59 CB ILE A 936 13.745 -1.704 15.528 1.00 12.04 C ATOM 60 CG1 ILE A 936 14.094 -2.804 14.500 1.00 13.51 C ATOM 61 CG2 ILE A 936 12.259 -1.812 15.942 1.00 10.62 C ATOM 62 CD1 ILE A 936 14.188 -4.227 15.098 1.00 13.79 C ATOM 63 N ALA A 937 14.092 1.012 16.997 1.00 12.41 N ATOM 64 CA ALA A 937 13.563 1.943 17.992 1.00 13.27 C ATOM 65 C ALA A 937 13.434 3.345 17.380 1.00 13.70 C ATOM 66 O ALA A 937 12.383 3.988 17.537 1.00 13.87 O ATOM 67 CB ALA A 937 14.461 1.986 19.264 1.00 13.52 C ATOM 68 N LYS A 938 14.487 3.797 16.709 1.00 13.33 N ATOM 69 CA LYS A 938 14.516 5.135 16.063 1.00 14.79 C ATOM 70 C LYS A 938 13.353 5.313 15.084 1.00 14.31 C ATOM 71 O LYS A 938 12.597 6.313 15.156 1.00 14.53 O ATOM 72 CB LYS A 938 15.835 5.361 15.333 1.00 14.78 C ATOM 73 CG LYS A 938 15.955 6.769 14.630 1.00 15.12 C ATOM 74 CD LYS A 938 17.317 6.902 13.974 1.00 16.87 C ATOM 75 CE LYS A 938 17.465 8.161 13.137 1.00 19.98 C ATOM 76 NZ LYS A 938 17.004 9.352 13.922 1.00 20.21 N ATOM 77 N LEU A 939 13.174 4.350 14.179 1.00 13.07 N ATOM 78 CA LEU A 939 12.091 4.484 13.203 1.00 12.80 C ATOM 79 C LEU A 939 10.698 4.340 13.820 1.00 13.35 C ATOM 80 O LEU A 939 9.778 5.053 13.430 1.00 13.43 O ATOM 81 CB LEU A 939 12.298 3.578 11.990 1.00 12.68 C ATOM 82 CG LEU A 939 13.504 3.935 11.110 1.00 13.83 C ATOM 83 CD1 LEU A 939 13.793 2.730 10.115 1.00 16.52 C ATOM 84 CD2 LEU A 939 13.330 5.286 10.403 1.00 14.32 C ATOM 85 N MET A 940 10.559 3.456 14.808 1.00 14.90 N ATOM 86 CA MET A 940 9.319 3.388 15.602 1.00 15.24 C ATOM 87 C MET A 940 9.022 4.781 16.182 1.00 16.41 C ATOM 88 O MET A 940 7.882 5.233 16.135 1.00 17.62 O ATOM 89 CB MET A 940 9.439 2.354 16.713 1.00 14.52 C ATOM 90 CG MET A 940 9.360 0.917 16.203 1.00 14.63 C ATOM 91 SD MET A 940 9.512 -0.265 17.578 1.00 17.42 S ATOM 92 CE MET A 940 7.976 0.001 18.479 1.00 19.11 C ATOM 93 N GLY A 941 10.055 5.478 16.647 1.00 16.53 N ATOM 94 CA GLY A 941 9.886 6.815 17.255 1.00 17.00 C ATOM 95 C GLY A 941 9.341 7.837 16.286 1.00 17.76 C ATOM 96 O GLY A 941 8.689 8.788 16.705 1.00 18.57 O ATOM 97 N GLU A 942 9.565 7.631 14.985 1.00 17.82 N ATOM 98 CA GLU A 942 9.040 8.532 13.953 1.00 19.51 C ATOM 99 C GLU A 942 7.565 8.333 13.637 1.00 20.28 C ATOM 100 O GLU A 942 7.002 9.064 12.826 1.00 21.60 O ATOM 101 CB GLU A 942 9.904 8.492 12.676 1.00 19.05 C ATOM 102 CG GLU A 942 11.333 8.876 12.955 1.00 19.58 C ATOM 103 CD GLU A 942 12.249 8.785 11.754 1.00 21.50 C ATOM 104 OE1 GLU A 942 11.761 8.704 10.608 1.00 19.37 O ATOM 105 OE2 GLU A 942 13.487 8.789 11.974 1.00 20.59 O ATOM 106 N GLY A 943 6.937 7.368 14.282 1.00 21.07 N ATOM 107 CA GLY A 943 5.496 7.253 14.259 1.00 22.65 C ATOM 108 C GLY A 943 5.041 6.006 13.529 1.00 22.38 C ATOM 109 O GLY A 943 3.983 6.009 12.905 1.00 23.50 O ATOM 110 N TYR A 944 5.840 4.947 13.596 1.00 21.26 N ATOM 111 CA TYR A 944 5.524 3.703 12.905 1.00 20.43 C ATOM 112 C TYR A 944 5.509 2.503 13.852 1.00 20.65 C ATOM 113 O TYR A 944 6.254 2.420 14.838 1.00 19.42 O ATOM 114 CB TYR A 944 6.488 3.451 11.715 1.00 21.14 C ATOM 115 CG TYR A 944 6.569 4.594 10.759 1.00 20.12 C ATOM 116 CD1 TYR A 944 5.514 4.852 9.858 1.00 20.39 C ATOM 117 CD2 TYR A 944 7.669 5.455 10.763 1.00 17.96 C ATOM 118 CE1 TYR A 944 5.560 5.940 8.995 1.00 20.13 C ATOM 119 CE2 TYR A 944 7.729 6.556 9.868 1.00 21.63 C ATOM 120 CZ TYR A 944 6.644 6.782 8.993 1.00 22.12 C ATOM 121 OH TYR A 944 6.665 7.842 8.096 1.00 23.64 O ATOM 122 N ALA A 945 4.668 1.542 13.518 1.00 19.66 N ATOM 123 CA ALA A 945 4.487 0.376 14.355 1.00 19.88 C ATOM 124 C ALA A 945 5.650 -0.632 14.237 1.00 19.21 C ATOM 125 O ALA A 945 6.300 -0.720 13.198 1.00 18.25 O ATOM 126 CB ALA A 945 3.144 -0.295 13.981 1.00 19.79 C ATOM 127 N PHE A 946 5.897 -1.397 15.294 1.00 18.98 N ATOM 128 CA PHE A 946 6.998 -2.356 15.297 1.00 19.43 C ATOM 129 C PHE A 946 7.065 -3.276 14.054 1.00 19.51 C ATOM 130 O PHE A 946 8.126 -3.399 13.424 1.00 18.02 O ATOM 131 CB PHE A 946 7.050 -3.190 16.566 1.00 18.98 C ATOM 132 CG PHE A 946 8.032 -4.340 16.475 1.00 22.17 C ATOM 133 CD1 PHE A 946 9.391 -4.133 16.691 1.00 18.72 C ATOM 134 CD2 PHE A 946 7.588 -5.625 16.124 1.00 22.44 C ATOM 135 CE1 PHE A 946 10.288 -5.174 16.589 1.00 23.37 C ATOM 136 CE2 PHE A 946 8.480 -6.682 16.018 1.00 22.89 C ATOM 137 CZ PHE A 946 9.844 -6.452 16.251 1.00 21.97 C ATOM 138 N GLU A 947 5.961 -3.939 13.703 1.00 19.24 N ATOM 139 CA GLU A 947 6.017 -4.883 12.554 1.00 20.13 C ATOM 140 C GLU A 947 6.348 -4.203 11.217 1.00 19.21 C ATOM 141 O GLU A 947 7.103 -4.748 10.429 1.00 19.28 O ATOM 142 CB GLU A 947 4.719 -5.702 12.420 1.00 21.09 C ATOM 143 CG GLU A 947 4.296 -6.425 13.711 1.00 27.05 C ATOM 144 CD GLU A 947 5.158 -7.633 14.106 1.00 35.91 C ATOM 145 OE1 GLU A 947 4.779 -8.300 15.118 1.00 39.48 O ATOM 146 OE2 GLU A 947 6.191 -7.941 13.432 1.00 39.08 O ATOM 147 N GLU A 948 5.770 -3.031 10.967 1.00 19.19 N ATOM 148 CA GLU A 948 6.116 -2.205 9.804 1.00 20.22 C ATOM 149 C GLU A 948 7.616 -1.862 9.746 1.00 17.76 C ATOM 150 O GLU A 948 8.274 -1.959 8.703 1.00 16.39 O ATOM 151 CB GLU A 948 5.338 -0.882 9.866 1.00 20.14 C ATOM 152 CG GLU A 948 3.900 -1.009 9.415 1.00 24.52 C ATOM 153 CD GLU A 948 3.051 0.214 9.756 1.00 25.97 C ATOM 154 OE1 GLU A 948 2.014 0.373 9.085 1.00 31.69 O ATOM 155 OE2 GLU A 948 3.390 1.002 10.707 1.00 34.37 O ATOM 156 N VAL A 949 8.139 -1.407 10.880 1.00 16.09 N ATOM 157 CA VAL A 949 9.543 -0.971 10.944 1.00 14.97 C ATOM 158 C VAL A 949 10.470 -2.163 10.715 1.00 15.05 C ATOM 159 O VAL A 949 11.378 -2.069 9.914 1.00 14.59 O ATOM 160 CB VAL A 949 9.885 -0.287 12.299 1.00 14.53 C ATOM 161 CG1 VAL A 949 11.407 -0.086 12.418 1.00 13.30 C ATOM 162 CG2 VAL A 949 9.145 1.049 12.424 1.00 12.58 C ATOM 163 N LYS A 950 10.233 -3.258 11.434 1.00 14.97 N ATOM 164 CA LYS A 950 10.988 -4.495 11.256 1.00 17.41 C ATOM 165 C LYS A 950 11.030 -4.894 9.774 1.00 16.91 C ATOM 166 O LYS A 950 12.105 -5.134 9.231 1.00 16.16 O ATOM 167 CB LYS A 950 10.367 -5.641 12.076 1.00 17.57 C ATOM 168 CG LYS A 950 11.251 -6.893 12.116 1.00 20.07 C ATOM 169 CD LYS A 950 10.527 -8.075 12.753 1.00 19.78 C ATOM 170 CE LYS A 950 11.349 -9.382 12.620 1.00 20.99 C ATOM 171 NZ LYS A 950 12.620 -9.348 13.459 1.00 20.48 N ATOM 172 N ARG A 951 9.845 -4.978 9.161 1.00 16.72 N ATOM 173 CA ARG A 951 9.717 -5.342 7.758 1.00 17.21 C ATOM 174 C ARG A 951 10.410 -4.348 6.809 1.00 16.86 C ATOM 175 O ARG A 951 11.105 -4.763 5.873 1.00 16.23 O ATOM 176 CB ARG A 951 8.239 -5.487 7.406 1.00 17.88 C ATOM 177 CG ARG A 951 8.001 -5.912 5.972 1.00 22.11 C ATOM 178 CD ARG A 951 8.687 -7.252 5.655 1.00 28.39 C ATOM 179 NE ARG A 951 8.474 -7.591 4.250 1.00 32.90 N ATOM 180 CZ ARG A 951 9.301 -8.324 3.518 1.00 34.41 C ATOM 181 NH1 ARG A 951 10.422 -8.811 4.056 1.00 33.89 N ATOM 182 NH2 ARG A 951 9.008 -8.549 2.236 1.00 35.66 N ATOM 183 N ALA A 952 10.219 -3.044 7.031 1.00 15.72 N ATOM 184 CA ALA A 952 10.937 -2.038 6.199 1.00 16.25 C ATOM 185 C ALA A 952 12.470 -2.146 6.305 1.00 15.97 C ATOM 186 O ALA A 952 13.177 -1.990 5.303 1.00 15.79 O ATOM 187 CB ALA A 952 10.486 -0.595 6.558 1.00 16.07 C ATOM 188 N LEU A 953 12.997 -2.367 7.514 1.00 16.55 N ATOM 189 CA LEU A 953 14.457 -2.504 7.673 1.00 17.11 C ATOM 190 C LEU A 953 14.980 -3.734 6.953 1.00 18.12 C ATOM 191 O LEU A 953 16.060 -3.679 6.350 1.00 18.20 O ATOM 192 CB LEU A 953 14.880 -2.533 9.148 1.00 17.29 C ATOM 193 CG LEU A 953 14.969 -1.147 9.802 1.00 17.83 C ATOM 194 CD1 LEU A 953 15.209 -1.242 11.298 1.00 20.95 C ATOM 195 CD2 LEU A 953 16.069 -0.334 9.183 1.00 17.11 C ATOM 196 N GLU A 954 14.217 -4.824 7.028 1.00 19.06 N ATOM 197 CA GLU A 954 14.517 -6.054 6.258 1.00 20.96 C ATOM 198 C GLU A 954 14.609 -5.749 4.767 1.00 20.50 C ATOM 199 O GLU A 954 15.634 -6.012 4.138 1.00 21.21 O ATOM 200 CB GLU A 954 13.401 -7.057 6.402 1.00 21.98 C ATOM 201 CG GLU A 954 13.321 -7.830 7.658 1.00 27.29 C ATOM 202 CD GLU A 954 12.130 -8.767 7.572 1.00 33.92 C ATOM 203 OE1 GLU A 954 12.101 -9.564 6.595 1.00 36.67 O ATOM 204 OE2 GLU A 954 11.212 -8.667 8.423 1.00 34.94 O ATOM 205 N ILE A 955 13.540 -5.181 4.222 1.00 19.90 N ATOM 206 CA ILE A 955 13.510 -4.794 2.809 1.00 19.70 C ATOM 207 C ILE A 955 14.711 -3.898 2.465 1.00 19.53 C ATOM 208 O ILE A 955 15.399 -4.135 1.459 1.00 19.01 O ATOM 209 CB ILE A 955 12.143 -4.176 2.424 1.00 19.91 C ATOM 210 CG1 ILE A 955 11.039 -5.239 2.467 1.00 21.27 C ATOM 211 CG2 ILE A 955 12.208 -3.484 1.069 1.00 18.24 C ATOM 212 CD1 ILE A 955 9.660 -4.667 2.389 1.00 24.83 C ATOM 213 N ALA A 956 14.975 -2.892 3.308 1.00 18.89 N ATOM 214 CA ALA A 956 16.082 -1.937 3.123 1.00 19.22 C ATOM 215 C ALA A 956 17.500 -2.446 3.433 1.00 19.57 C ATOM 216 O ALA A 956 18.461 -1.690 3.343 1.00 19.17 O ATOM 217 CB ALA A 956 15.809 -0.632 3.950 1.00 18.14 C ATOM 218 N GLN A 957 17.620 -3.708 3.831 1.00 20.22 N ATOM 219 CA GLN A 957 18.905 -4.294 4.193 1.00 21.37 C ATOM 220 C GLN A 957 19.596 -3.419 5.242 1.00 21.18 C ATOM 221 O GLN A 957 20.784 -3.086 5.128 1.00 21.60 O ATOM 222 CB GLN A 957 19.746 -4.561 2.928 1.00 20.73 C ATOM 223 CG GLN A 957 18.972 -5.415 1.870 1.00 21.88 C ATOM 224 CD GLN A 957 19.811 -5.776 0.625 1.00 25.70 C ATOM 225 OE1 GLN A 957 19.351 -6.498 -0.270 1.00 31.58 O ATOM 226 NE2 GLN A 957 21.026 -5.251 0.555 1.00 29.87 N ATOM 227 N ASN A 958 18.803 -3.022 6.256 1.00 20.59 N ATOM 228 CA ASN A 958 19.249 -2.232 7.416 1.00 20.10 C ATOM 229 C ASN A 958 19.674 -0.776 7.150 1.00 19.50 C ATOM 230 O ASN A 958 20.182 -0.102 8.037 1.00 18.91 O ATOM 231 CB ASN A 958 20.281 -3.017 8.264 1.00 20.82 C ATOM 232 CG ASN A 958 19.666 -4.225 8.922 1.00 23.32 C ATOM 233 OD1 ASN A 958 18.446 -4.258 9.166 1.00 24.18 O ATOM 234 ND2 ASN A 958 20.508 -5.253 9.227 1.00 24.54 N ATOM 235 N ASN A 959 19.373 -0.265 5.947 1.00 19.30 N ATOM 236 CA ASN A 959 19.645 1.143 5.638 1.00 19.26 C ATOM 237 C ASN A 959 18.477 1.988 6.176 1.00 18.66 C ATOM 238 O ASN A 959 17.332 1.845 5.702 1.00 17.58 O ATOM 239 CB ASN A 959 19.836 1.336 4.114 1.00 19.54 C ATOM 240 CG ASN A 959 20.173 2.750 3.750 1.00 20.03 C ATOM 241 OD1 ASN A 959 19.445 3.664 4.093 1.00 20.86 O ATOM 242 ND2 ASN A 959 21.289 2.944 3.046 1.00 21.48 N ATOM 243 N VAL A 960 18.770 2.855 7.154 1.00 17.79 N ATOM 244 CA VAL A 960 17.743 3.633 7.862 1.00 17.46 C ATOM 245 C VAL A 960 17.036 4.590 6.937 1.00 17.34 C ATOM 246 O VAL A 960 15.819 4.682 6.982 1.00 16.71 O ATOM 247 CB VAL A 960 18.296 4.401 9.100 1.00 17.58 C ATOM 248 CG1 VAL A 960 17.226 5.391 9.666 1.00 17.58 C ATOM 249 CG2 VAL A 960 18.614 3.420 10.173 1.00 18.59 C ATOM 250 N GLU A 961 17.818 5.260 6.081 1.00 18.12 N ATOM 251 CA GLU A 961 17.302 6.244 5.123 1.00 18.73 C ATOM 252 C GLU A 961 16.330 5.565 4.142 1.00 17.37 C ATOM 253 O GLU A 961 15.257 6.080 3.820 1.00 15.69 O ATOM 254 CB GLU A 961 18.479 6.883 4.366 1.00 20.54 C ATOM 255 CG GLU A 961 19.542 7.652 5.219 1.00 25.83 C ATOM 256 CD GLU A 961 20.286 6.835 6.339 1.00 34.48 C ATOM 257 OE1 GLU A 961 20.618 5.618 6.174 1.00 33.46 O ATOM 258 OE2 GLU A 961 20.574 7.457 7.412 1.00 37.58 O ATOM 259 N VAL A 962 16.696 4.379 3.682 1.00 16.06 N ATOM 260 CA VAL A 962 15.821 3.643 2.740 1.00 14.62 C ATOM 261 C VAL A 962 14.570 3.109 3.422 1.00 13.77 C ATOM 262 O VAL A 962 13.469 3.263 2.888 1.00 12.59 O ATOM 263 CB VAL A 962 16.586 2.517 2.020 1.00 14.95 C ATOM 264 CG1 VAL A 962 15.604 1.636 1.219 1.00 16.20 C ATOM 265 CG2 VAL A 962 17.646 3.129 1.113 1.00 15.05 C ATOM 266 N ALA A 963 14.725 2.501 4.603 1.00 13.06 N ATOM 267 CA ALA A 963 13.558 2.036 5.372 1.00 12.62 C ATOM 268 C ALA A 963 12.602 3.200 5.638 1.00 13.30 C ATOM 269 O ALA A 963 11.372 3.030 5.594 1.00 12.87 O ATOM 270 CB ALA A 963 14.017 1.460 6.683 1.00 12.30 C ATOM 271 N ARG A 964 13.166 4.363 5.970 1.00 13.98 N ATOM 272 CA ARG A 964 12.335 5.544 6.280 1.00 14.53 C ATOM 273 C ARG A 964 11.527 5.917 5.052 1.00 15.51 C ATOM 274 O ARG A 964 10.322 6.171 5.163 1.00 16.48 O ATOM 275 CB ARG A 964 13.184 6.742 6.742 1.00 14.45 C ATOM 276 CG ARG A 964 12.313 8.033 6.924 1.00 15.17 C ATOM 277 CD ARG A 964 13.161 9.205 7.412 1.00 16.13 C ATOM 278 NE ARG A 964 13.790 8.946 8.709 1.00 18.52 N ATOM 279 CZ ARG A 964 15.095 8.886 8.939 1.00 21.13 C ATOM 280 NH1 ARG A 964 15.988 9.052 7.960 1.00 23.08 N ATOM 281 NH2 ARG A 964 15.506 8.633 10.165 1.00 23.86 N ATOM 282 N SER A 965 12.179 5.935 3.882 1.00 16.02 N ATOM 283 CA SER A 965 11.463 6.232 2.635 1.00 16.76 C ATOM 284 C SER A 965 10.337 5.235 2.375 1.00 16.38 C ATOM 285 O SER A 965 9.268 5.613 1.915 1.00 16.10 O ATOM 286 CB SER A 965 12.414 6.288 1.441 1.00 16.78 C ATOM 287 OG SER A 965 13.381 7.313 1.601 1.00 18.77 O ATOM 288 N ILE A 966 10.565 3.960 2.688 1.00 16.68 N ATOM 289 CA ILE A 966 9.520 2.951 2.545 1.00 16.83 C ATOM 290 C ILE A 966 8.338 3.233 3.471 1.00 16.76 C ATOM 291 O ILE A 966 7.189 3.230 3.043 1.00 17.67 O ATOM 292 CB ILE A 966 10.076 1.522 2.751 1.00 17.17 C ATOM 293 CG1 ILE A 966 11.063 1.174 1.616 1.00 17.80 C ATOM 294 CG2 ILE A 966 8.929 0.499 2.906 1.00 16.81 C ATOM 295 CD1 ILE A 966 11.973 -0.020 1.936 1.00 16.60 C ATOM 296 N LEU A 967 8.635 3.533 4.731 1.00 17.19 N ATOM 297 CA LEU A 967 7.627 3.764 5.731 1.00 17.32 C ATOM 298 C LEU A 967 6.756 4.987 5.370 1.00 18.40 C ATOM 299 O LEU A 967 5.510 4.943 5.494 1.00 17.81 O ATOM 300 CB LEU A 967 8.310 3.930 7.092 1.00 17.93 C ATOM 301 CG LEU A 967 8.896 2.623 7.660 1.00 17.63 C ATOM 302 CD1 LEU A 967 9.919 2.883 8.805 1.00 14.10 C ATOM 303 CD2 LEU A 967 7.760 1.644 8.073 1.00 17.92 C ATOM 304 N ARG A 968 7.409 6.044 4.893 1.00 18.46 N ATOM 305 CA ARG A 968 6.708 7.288 4.490 1.00 20.93 C ATOM 306 C ARG A 968 5.846 7.060 3.263 1.00 21.84 C ATOM 307 O ARG A 968 4.677 7.513 3.190 1.00 22.36 O ATOM 308 CB ARG A 968 7.692 8.402 4.171 1.00 20.14 C ATOM 309 CG ARG A 968 8.350 8.960 5.402 1.00 25.01 C ATOM 310 CD ARG A 968 9.139 10.223 5.118 1.00 29.15 C ATOM 311 NE ARG A 968 9.661 10.700 6.389 1.00 33.37 N ATOM 312 CZ ARG A 968 10.520 11.700 6.566 1.00 32.20 C ATOM 313 NH1 ARG A 968 10.908 12.008 7.804 1.00 27.89 N ATOM 314 NH2 ARG A 968 10.985 12.375 5.523 1.00 33.89 N ATOM 315 N GLU A 969 6.425 6.359 2.300 1.00 22.31 N ATOM 316 CA GLU A 969 5.743 6.109 1.036 1.00 24.33 C ATOM 317 C GLU A 969 4.463 5.289 1.207 1.00 24.53 C ATOM 318 O GLU A 969 3.438 5.560 0.556 1.00 24.35 O ATOM 319 CB GLU A 969 6.678 5.360 0.085 1.00 24.06 C ATOM 320 CG GLU A 969 6.127 5.244 -1.347 1.00 29.10 C ATOM 321 CD GLU A 969 6.044 6.577 -2.082 1.00 34.27 C ATOM 322 OE1 GLU A 969 5.378 6.619 -3.129 1.00 39.51 O ATOM 323 OE2 GLU A 969 6.639 7.578 -1.637 1.00 37.63 O ATOM 324 N PHE A 970 4.525 4.273 2.052 1.00 24.55 N ATOM 325 CA PHE A 970 3.456 3.286 2.101 1.00 25.97 C ATOM 326 C PHE A 970 2.610 3.345 3.363 1.00 27.21 C ATOM 327 O PHE A 970 1.783 2.479 3.595 1.00 26.50 O ATOM 328 CB PHE A 970 4.023 1.890 1.831 1.00 26.09 C ATOM 329 CG PHE A 970 4.629 1.769 0.463 1.00 26.16 C ATOM 330 CD1 PHE A 970 3.808 1.628 -0.664 1.00 26.05 C ATOM 331 CD2 PHE A 970 6.009 1.856 0.286 1.00 26.32 C ATOM 332 CE1 PHE A 970 4.364 1.557 -1.939 1.00 24.95 C ATOM 333 CE2 PHE A 970 6.577 1.763 -1.002 1.00 28.33 C ATOM 334 CZ PHE A 970 5.745 1.613 -2.107 1.00 27.54 C ATOM 335 N ALA A 971 2.812 4.398 4.158 1.00 29.22 N ATOM 336 CA ALA A 971 1.981 4.693 5.334 1.00 30.95 C ATOM 337 C ALA A 971 0.496 4.713 4.985 1.00 32.25 C ATOM 338 O ALA A 971 0.099 5.245 3.938 1.00 32.15 O ATOM 339 CB ALA A 971 2.394 6.027 5.952 1.00 30.98 C ATOM 340 N PHE A 972 -0.302 4.096 5.858 1.00 33.86 N ATOM 341 CA PHE A 972 -1.773 4.142 5.799 1.00 34.87 C ATOM 342 C PHE A 972 -2.341 4.236 7.217 1.00 35.41 C ATOM 343 O PHE A 972 -2.067 3.351 8.036 1.00 35.98 O ATOM 344 CB PHE A 972 -2.356 2.909 5.090 1.00 35.34 C ATOM 345 CG PHE A 972 -3.854 2.735 5.300 1.00 35.30 C ATOM 346 CD1 PHE A 972 -4.354 1.620 5.991 1.00 36.88 C ATOM 347 CD2 PHE A 972 -4.757 3.690 4.824 1.00 35.91 C ATOM 348 CE1 PHE A 972 -5.755 1.436 6.202 1.00 36.25 C ATOM 349 CE2 PHE A 972 -6.152 3.528 5.025 1.00 37.16 C ATOM 350 CZ PHE A 972 -6.655 2.390 5.723 1.00 36.52 C TER 351 PHE A 972 ATOM 352 N MET B 1 20.321 -9.325 38.937 1.00 15.91 N ATOM 353 CA MET B 1 21.299 -9.028 37.853 1.00 16.40 C ATOM 354 C MET B 1 20.905 -7.682 37.267 1.00 15.70 C ATOM 355 O MET B 1 19.831 -7.153 37.582 1.00 16.27 O ATOM 356 CB MET B 1 21.305 -10.119 36.761 1.00 16.69 C ATOM 357 CG MET B 1 20.079 -10.100 35.815 1.00 17.98 C ATOM 358 SD MET B 1 20.020 -11.386 34.565 1.00 19.50 S ATOM 359 CE MET B 1 18.488 -11.049 33.684 1.00 17.01 C ATOM 360 N GLN B 2 21.791 -7.106 36.469 1.00 14.74 N ATOM 361 CA GLN B 2 21.512 -5.795 35.892 1.00 14.23 C ATOM 362 C GLN B 2 21.237 -5.914 34.401 1.00 12.75 C ATOM 363 O GLN B 2 21.849 -6.714 33.695 1.00 13.93 O ATOM 364 CB GLN B 2 22.687 -4.843 36.133 1.00 14.95 C ATOM 365 CG GLN B 2 22.796 -4.411 37.590 1.00 18.19 C ATOM 366 CD GLN B 2 23.895 -3.378 37.781 1.00 22.13 C ATOM 367 OE1 GLN B 2 24.858 -3.319 36.991 1.00 23.72 O ATOM 368 NE2 GLN B 2 23.733 -2.534 38.778 1.00 24.57 N ATOM 369 N ILE B 3 20.286 -5.118 33.931 1.00 12.78 N ATOM 370 CA ILE B 3 20.130 -4.925 32.491 1.00 11.71 C ATOM 371 C ILE B 3 20.059 -3.410 32.263 1.00 11.58 C ATOM 372 O ILE B 3 19.826 -2.633 33.208 1.00 11.80 O ATOM 373 CB ILE B 3 18.851 -5.654 31.903 1.00 11.23 C ATOM 374 CG1 ILE B 3 17.584 -5.070 32.515 1.00 11.17 C ATOM 375 CG2 ILE B 3 18.933 -7.205 32.098 1.00 9.27 C ATOM 376 CD1 ILE B 3 16.283 -5.463 31.734 1.00 13.21 C ATOM 377 N PHE B 4 20.244 -3.008 31.012 1.00 11.67 N ATOM 378 CA PHE B 4 20.170 -1.599 30.620 1.00 12.26 C ATOM 379 C PHE B 4 19.021 -1.347 29.680 1.00 11.72 C ATOM 380 O PHE B 4 18.667 -2.199 28.896 1.00 12.11 O ATOM 381 CB PHE B 4 21.488 -1.156 29.947 1.00 11.90 C ATOM 382 CG PHE B 4 22.704 -1.530 30.759 1.00 12.69 C ATOM 383 CD1 PHE B 4 23.541 -2.564 30.356 1.00 15.11 C ATOM 384 CD2 PHE B 4 22.936 -0.902 31.981 1.00 15.48 C ATOM 385 CE1 PHE B 4 24.653 -2.943 31.146 1.00 12.97 C ATOM 386 CE2 PHE B 4 24.035 -1.287 32.798 1.00 15.06 C ATOM 387 CZ PHE B 4 24.870 -2.308 32.372 1.00 12.98 C ATOM 388 N VAL B 5 18.476 -0.141 29.757 1.00 12.97 N ATOM 389 CA VAL B 5 17.427 0.305 28.835 1.00 12.93 C ATOM 390 C VAL B 5 17.846 1.658 28.252 1.00 12.96 C ATOM 391 O VAL B 5 18.009 2.625 28.978 1.00 14.02 O ATOM 392 CB VAL B 5 16.040 0.423 29.538 1.00 13.18 C ATOM 393 CG1 VAL B 5 14.976 0.899 28.508 1.00 13.28 C ATOM 394 CG2 VAL B 5 15.622 -0.923 30.172 1.00 12.09 C ATOM 395 N LYS B 6 18.068 1.675 26.947 1.00 12.80 N ATOM 396 CA LYS B 6 18.452 2.871 26.195 1.00 14.00 C ATOM 397 C LYS B 6 17.207 3.571 25.690 1.00 13.97 C ATOM 398 O LYS B 6 16.349 2.923 25.088 1.00 12.79 O ATOM 399 CB LYS B 6 19.285 2.428 25.005 1.00 13.69 C ATOM 400 CG LYS B 6 19.708 3.496 24.002 1.00 20.23 C ATOM 401 CD LYS B 6 20.974 2.989 23.329 1.00 29.71 C ATOM 402 CE LYS B 6 21.015 3.192 21.783 1.00 31.41 C ATOM 403 NZ LYS B 6 21.969 2.227 21.172 1.00 28.51 N ATOM 404 N THR B 7 17.114 4.890 25.926 1.00 13.01 N ATOM 405 CA THR B 7 15.955 5.683 25.458 1.00 13.24 C ATOM 406 C THR B 7 16.374 6.496 24.228 1.00 13.62 C ATOM 407 O THR B 7 17.570 6.659 23.974 1.00 13.94 O ATOM 408 CB THR B 7 15.444 6.644 26.529 1.00 12.98 C ATOM 409 OG1 THR B 7 16.372 7.736 26.633 1.00 14.88 O ATOM 410 CG2 THR B 7 15.282 5.922 27.921 1.00 14.12 C ATOM 411 N LEU B 8 15.407 7.033 23.483 1.00 13.25 N ATOM 412 CA LEU B 8 15.754 7.760 22.274 1.00 15.24 C ATOM 413 C LEU B 8 16.339 9.148 22.562 1.00 16.60 C ATOM 414 O LEU B 8 16.873 9.799 21.653 1.00 15.75 O ATOM 415 CB LEU B 8 14.545 7.870 21.332 1.00 14.86 C ATOM 416 CG LEU B 8 14.107 6.528 20.732 1.00 15.58 C ATOM 417 CD1 LEU B 8 12.753 6.631 20.075 1.00 17.48 C ATOM 418 CD2 LEU B 8 15.161 6.117 19.698 1.00 16.07 C ATOM 419 N THR B 9 16.202 9.602 23.805 1.00 18.43 N ATOM 420 CA THR B 9 16.784 10.888 24.216 1.00 20.26 C ATOM 421 C THR B 9 18.248 10.739 24.626 1.00 21.05 C ATOM 422 O THR B 9 18.882 11.714 25.030 1.00 22.09 O ATOM 423 CB THR B 9 15.991 11.564 25.345 1.00 20.11 C ATOM 424 OG1 THR B 9 16.061 10.777 26.554 1.00 21.14 O ATOM 425 CG2 THR B 9 14.558 11.751 24.910 1.00 19.69 C ATOM 426 N GLY B 10 18.769 9.527 24.482 1.00 19.19 N ATOM 427 CA GLY B 10 20.146 9.197 24.802 1.00 20.20 C ATOM 428 C GLY B 10 20.370 8.687 26.216 1.00 19.93 C ATOM 429 O GLY B 10 21.514 8.465 26.602 1.00 20.74 O ATOM 430 N LYS B 11 19.306 8.554 27.019 1.00 18.89 N ATOM 431 CA LYS B 11 19.500 8.068 28.399 1.00 19.18 C ATOM 432 C LYS B 11 19.715 6.546 28.457 1.00 18.08 C ATOM 433 O LYS B 11 19.099 5.819 27.671 1.00 18.04 O ATOM 434 CB LYS B 11 18.351 8.474 29.346 1.00 19.46 C ATOM 435 CG LYS B 11 18.521 7.807 30.728 1.00 24.05 C ATOM 436 CD LYS B 11 17.949 8.515 31.931 1.00 31.27 C ATOM 437 CE LYS B 11 18.931 8.427 33.159 1.00 33.41 C ATOM 438 NZ LYS B 11 19.517 7.078 33.510 1.00 33.80 N ATOM 439 N THR B 12 20.602 6.091 29.361 1.00 16.97 N ATOM 440 CA THR B 12 20.765 4.664 29.717 1.00 16.20 C ATOM 441 C THR B 12 20.286 4.452 31.164 1.00 16.98 C ATOM 442 O THR B 12 20.892 4.972 32.132 1.00 17.54 O ATOM 443 CB THR B 12 22.215 4.180 29.600 1.00 16.18 C ATOM 444 OG1 THR B 12 22.655 4.288 28.241 1.00 15.87 O ATOM 445 CG2 THR B 12 22.359 2.692 30.042 1.00 17.82 C ATOM 446 N ILE B 13 19.191 3.713 31.301 1.00 15.35 N ATOM 447 CA ILE B 13 18.602 3.373 32.594 1.00 15.55 C ATOM 448 C ILE B 13 19.157 2.005 32.996 1.00 14.70 C ATOM 449 O ILE B 13 19.183 1.108 32.173 1.00 13.51 O ATOM 450 CB ILE B 13 17.055 3.271 32.470 1.00 15.31 C ATOM 451 CG1 ILE B 13 16.469 4.570 31.870 1.00 17.04 C ATOM 452 CG2 ILE B 13 16.414 2.926 33.820 1.00 16.42 C ATOM 453 CD1 ILE B 13 15.091 4.425 31.274 1.00 19.50 C ATOM 454 N THR B 14 19.614 1.861 34.237 1.00 13.93 N ATOM 455 CA THR B 14 20.043 0.539 34.723 1.00 14.56 C ATOM 456 C THR B 14 18.952 -0.013 35.627 1.00 14.87 C ATOM 457 O THR B 14 18.435 0.696 36.510 1.00 15.34 O ATOM 458 CB THR B 14 21.367 0.617 35.511 1.00 15.33 C ATOM 459 OG1 THR B 14 22.364 1.190 34.676 1.00 14.53 O ATOM 460 CG2 THR B 14 21.848 -0.795 35.914 1.00 15.54 C ATOM 461 N LEU B 15 18.588 -1.275 35.408 1.00 13.90 N ATOM 462 CA LEU B 15 17.535 -1.891 36.207 1.00 14.97 C ATOM 463 C LEU B 15 18.125 -3.053 36.960 1.00 14.85 C ATOM 464 O LEU B 15 19.019 -3.723 36.445 1.00 14.36 O ATOM 465 CB LEU B 15 16.443 -2.420 35.279 1.00 14.12 C ATOM 466 CG LEU B 15 15.231 -1.579 34.875 1.00 18.21 C ATOM 467 CD1 LEU B 15 15.116 -0.048 35.311 1.00 13.78 C ATOM 468 CD2 LEU B 15 14.719 -1.962 33.470 1.00 15.04 C ATOM 469 N GLU B 16 17.585 -3.287 38.151 1.00 14.77 N ATOM 470 CA GLU B 16 17.862 -4.469 38.966 1.00 16.25 C ATOM 471 C GLU B 16 16.737 -5.492 38.754 1.00 16.07 C ATOM 472 O GLU B 16 15.584 -5.227 39.081 1.00 17.13 O ATOM 473 CB GLU B 16 17.880 -4.025 40.423 1.00 17.13 C ATOM 474 CG GLU B 16 18.931 -4.662 41.287 1.00 23.20 C ATOM 475 CD GLU B 16 20.347 -4.659 40.685 1.00 23.29 C ATOM 476 OE1 GLU B 16 21.108 -3.625 40.657 1.00 25.58 O ATOM 477 OE2 GLU B 16 20.690 -5.752 40.256 1.00 24.18 O ATOM 478 N VAL B 17 17.066 -6.629 38.169 1.00 15.60 N ATOM 479 CA VAL B 17 16.038 -7.594 37.731 1.00 15.51 C ATOM 480 C VAL B 17 16.452 -9.035 38.048 1.00 16.38 C ATOM 481 O VAL B 17 17.625 -9.301 38.332 1.00 17.00 O ATOM 482 CB VAL B 17 15.721 -7.452 36.193 1.00 14.95 C ATOM 483 CG1 VAL B 17 15.222 -6.034 35.841 1.00 13.62 C ATOM 484 CG2 VAL B 17 16.950 -7.822 35.326 1.00 14.38 C ATOM 485 N GLU B 18 15.497 -9.963 37.974 1.00 16.26 N ATOM 486 CA GLU B 18 15.820 -11.380 37.980 1.00 17.82 C ATOM 487 C GLU B 18 15.400 -11.942 36.640 1.00 17.52 C ATOM 488 O GLU B 18 14.523 -11.365 36.004 1.00 16.89 O ATOM 489 CB GLU B 18 15.067 -12.101 39.128 1.00 19.08 C ATOM 490 CG GLU B 18 15.542 -11.721 40.530 1.00 23.64 C ATOM 491 CD GLU B 18 17.028 -11.973 40.789 1.00 28.22 C ATOM 492 OE1 GLU B 18 17.675 -12.767 40.078 1.00 34.41 O ATOM 493 OE2 GLU B 18 17.567 -11.361 41.717 1.00 32.93 O ATOM 494 N PRO B 19 16.000 -13.079 36.205 1.00 17.76 N ATOM 495 CA PRO B 19 15.601 -13.705 34.948 1.00 17.64 C ATOM 496 C PRO B 19 14.102 -13.986 34.845 1.00 16.53 C ATOM 497 O PRO B 19 13.555 -13.923 33.755 1.00 16.64 O ATOM 498 CB PRO B 19 16.400 -15.025 34.964 1.00 17.83 C ATOM 499 CG PRO B 19 17.640 -14.650 35.706 1.00 20.25 C ATOM 500 CD PRO B 19 17.104 -13.833 36.849 1.00 18.14 C ATOM 501 N SER B 20 13.447 -14.260 35.975 1.00 16.01 N ATOM 502 CA SER B 20 12.006 -14.581 36.005 1.00 16.35 C ATOM 503 C SER B 20 11.091 -13.358 35.996 1.00 16.55 C ATOM 504 O SER B 20 9.862 -13.504 35.968 1.00 15.67 O ATOM 505 CB SER B 20 11.702 -15.445 37.259 1.00 16.18 C ATOM 506 OG SER B 20 12.043 -14.709 38.434 1.00 16.54 O ATOM 507 N ASP B 21 11.659 -12.144 36.052 1.00 16.21 N ATOM 508 CA ASP B 21 10.830 -10.924 36.009 1.00 16.71 C ATOM 509 C ASP B 21 10.072 -10.896 34.687 1.00 16.47 C ATOM 510 O ASP B 21 10.676 -11.103 33.613 1.00 15.25 O ATOM 511 CB ASP B 21 11.670 -9.626 36.155 1.00 16.96 C ATOM 512 CG ASP B 21 12.139 -9.360 37.593 1.00 20.97 C ATOM 513 OD1 ASP B 21 11.796 -10.126 38.511 1.00 25.48 O ATOM 514 OD2 ASP B 21 12.862 -8.372 37.800 1.00 20.86 O ATOM 515 N THR B 22 8.771 -10.611 34.767 1.00 16.43 N ATOM 516 CA THR B 22 7.955 -10.412 33.564 1.00 16.21 C ATOM 517 C THR B 22 8.250 -9.091 32.916 1.00 15.80 C ATOM 518 O THR B 22 8.744 -8.196 33.574 1.00 14.79 O ATOM 519 CB THR B 22 6.443 -10.454 33.847 1.00 17.05 C ATOM 520 OG1 THR B 22 6.044 -9.344 34.666 1.00 17.18 O ATOM 521 CG2 THR B 22 6.110 -11.763 34.518 1.00 19.08 C ATOM 522 N ILE B 23 7.883 -8.953 31.642 1.00 14.89 N ATOM 523 CA ILE B 23 8.051 -7.697 30.942 1.00 15.50 C ATOM 524 C ILE B 23 7.244 -6.592 31.655 1.00 15.93 C ATOM 525 O ILE B 23 7.703 -5.453 31.758 1.00 15.88 O ATOM 526 CB ILE B 23 7.691 -7.825 29.446 1.00 15.10 C ATOM 527 CG1 ILE B 23 8.600 -8.868 28.757 1.00 15.06 C ATOM 528 CG2 ILE B 23 7.818 -6.463 28.726 1.00 16.29 C ATOM 529 CD1 ILE B 23 10.102 -8.661 29.000 1.00 15.53 C ATOM 530 N GLU B 24 6.063 -6.930 32.170 1.00 15.42 N ATOM 531 CA GLU B 24 5.291 -5.936 32.917 1.00 17.03 C ATOM 532 C GLU B 24 6.033 -5.475 34.183 1.00 16.28 C ATOM 533 O GLU B 24 6.012 -4.289 34.507 1.00 16.62 O ATOM 534 CB GLU B 24 3.891 -6.472 33.265 1.00 17.92 C ATOM 535 CG GLU B 24 2.949 -5.431 33.925 1.00 23.25 C ATOM 536 CD GLU B 24 2.451 -4.325 32.966 1.00 26.62 C ATOM 537 OE1 GLU B 24 2.527 -4.438 31.729 1.00 29.92 O ATOM 538 OE2 GLU B 24 1.962 -3.307 33.467 1.00 30.11 O ATOM 539 N ASN B 25 6.655 -6.409 34.899 1.00 16.22 N ATOM 540 CA ASN B 25 7.526 -6.083 36.031 1.00 16.41 C ATOM 541 C ASN B 25 8.602 -5.061 35.587 1.00 15.60 C ATOM 542 O ASN B 25 8.905 -4.097 36.306 1.00 15.08 O ATOM 543 CB ASN B 25 8.282 -7.327 36.564 1.00 16.96 C ATOM 544 CG ASN B 25 7.413 -8.334 37.363 1.00 21.32 C ATOM 545 OD1 ASN B 25 7.842 -9.512 37.609 1.00 22.35 O ATOM 546 ND2 ASN B 25 6.232 -7.910 37.773 1.00 21.97 N ATOM 547 N VAL B 26 9.227 -5.328 34.436 1.00 14.67 N ATOM 548 CA VAL B 26 10.305 -4.467 33.933 1.00 14.54 C ATOM 549 C VAL B 26 9.775 -3.046 33.646 1.00 15.03 C ATOM 550 O VAL B 26 10.411 -2.029 33.993 1.00 14.94 O ATOM 551 CB VAL B 26 10.979 -5.095 32.701 1.00 14.22 C ATOM 552 CG1 VAL B 26 11.804 -4.071 31.936 1.00 15.08 C ATOM 553 CG2 VAL B 26 11.841 -6.296 33.129 1.00 15.55 C ATOM 554 N LYS B 27 8.605 -2.991 33.020 1.00 14.54 N ATOM 555 CA LYS B 27 7.909 -1.722 32.764 1.00 14.54 C ATOM 556 C LYS B 27 7.617 -0.940 34.046 1.00 15.23 C ATOM 557 O LYS B 27 7.796 0.282 34.094 1.00 15.55 O ATOM 558 CB LYS B 27 6.620 -2.007 31.995 1.00 15.49 C ATOM 559 CG LYS B 27 6.895 -2.394 30.518 1.00 14.74 C ATOM 560 CD LYS B 27 5.561 -2.647 29.710 1.00 14.76 C ATOM 561 CE LYS B 27 5.846 -3.019 28.255 1.00 15.49 C ATOM 562 NZ LYS B 27 4.525 -2.903 27.576 1.00 21.95 N ATOM 563 N ALA B 28 7.185 -1.660 35.081 1.00 14.94 N ATOM 564 CA ALA B 28 6.938 -1.087 36.411 1.00 15.55 C ATOM 565 C ALA B 28 8.223 -0.495 37.024 1.00 15.22 C ATOM 566 O ALA B 28 8.191 0.585 37.606 1.00 15.26 O ATOM 567 CB ALA B 28 6.317 -2.161 37.330 1.00 16.07 C ATOM 568 N LYS B 29 9.342 -1.204 36.892 1.00 14.81 N ATOM 569 CA LYS B 29 10.652 -0.682 37.334 1.00 14.63 C ATOM 570 C LYS B 29 11.085 0.565 36.579 1.00 15.05 C ATOM 571 O LYS B 29 11.622 1.500 37.157 1.00 14.93 O ATOM 572 CB LYS B 29 11.731 -1.764 37.181 1.00 14.83 C ATOM 573 CG LYS B 29 11.565 -2.939 38.133 1.00 15.17 C ATOM 574 CD LYS B 29 12.550 -4.041 37.802 1.00 17.16 C ATOM 575 CE LYS B 29 12.213 -5.304 38.547 1.00 20.24 C ATOM 576 NZ LYS B 29 12.605 -5.104 39.938 1.00 23.73 N ATOM 577 N ILE B 30 10.886 0.573 35.270 1.00 15.34 N ATOM 578 CA ILE B 30 11.157 1.768 34.476 1.00 15.65 C ATOM 579 C ILE B 30 10.274 2.938 34.931 1.00 17.37 C ATOM 580 O ILE B 30 10.749 4.083 35.077 1.00 18.37 O ATOM 581 CB ILE B 30 10.946 1.490 32.980 1.00 15.67 C ATOM 582 CG1 ILE B 30 11.958 0.455 32.485 1.00 15.70 C ATOM 583 CG2 ILE B 30 11.060 2.804 32.162 1.00 15.16 C ATOM 584 CD1 ILE B 30 11.792 0.123 31.004 1.00 11.25 C ATOM 585 N GLN B 31 9.004 2.663 35.178 1.00 18.29 N ATOM 586 CA GLN B 31 8.119 3.688 35.755 1.00 20.51 C ATOM 587 C GLN B 31 8.627 4.220 37.100 1.00 21.50 C ATOM 588 O GLN B 31 8.598 5.417 37.319 1.00 21.57 O ATOM 589 CB GLN B 31 6.713 3.131 35.943 1.00 20.55 C ATOM 590 CG GLN B 31 5.721 4.104 36.593 1.00 22.20 C ATOM 591 CD GLN B 31 4.377 3.475 36.784 1.00 22.00 C ATOM 592 OE1 GLN B 31 4.271 2.268 36.997 1.00 26.92 O ATOM 593 NE2 GLN B 31 3.329 4.275 36.685 1.00 23.37 N ATOM 594 N ASP B 32 9.039 3.329 38.004 1.00 22.74 N ATOM 595 CA ASP B 32 9.551 3.744 39.332 1.00 25.02 C ATOM 596 C ASP B 32 10.720 4.673 39.203 1.00 26.50 C ATOM 597 O ASP B 32 10.798 5.683 39.902 1.00 26.87 O ATOM 598 CB ASP B 32 9.944 2.548 40.191 1.00 25.21 C ATOM 599 CG ASP B 32 8.746 1.744 40.632 1.00 26.49 C ATOM 600 OD1 ASP B 32 8.930 0.636 41.159 1.00 28.74 O ATOM 601 OD2 ASP B 32 7.607 2.221 40.446 1.00 28.32 O ATOM 602 N LYS B 33 11.632 4.380 38.292 1.00 28.14 N ATOM 603 CA LYS B 33 12.768 5.278 38.214 1.00 30.00 C ATOM 604 C LYS B 33 12.706 6.460 37.225 1.00 30.34 C ATOM 605 O LYS B 33 13.441 7.432 37.409 1.00 30.91 O ATOM 606 CB LYS B 33 14.088 4.523 38.217 1.00 30.67 C ATOM 607 CG LYS B 33 14.464 3.806 36.989 1.00 31.19 C ATOM 608 CD LYS B 33 15.953 3.581 37.087 1.00 32.07 C ATOM 609 CE LYS B 33 16.342 2.813 38.335 1.00 31.66 C ATOM 610 NZ LYS B 33 17.812 2.883 38.485 1.00 31.25 N ATOM 611 N GLU B 34 11.787 6.414 36.262 1.00 30.72 N ATOM 612 CA GLU B 34 11.649 7.453 35.240 1.00 31.62 C ATOM 613 C GLU B 34 10.294 8.164 35.125 1.00 31.65 C ATOM 614 O GLU B 34 10.196 9.194 34.462 1.00 32.00 O ATOM 615 CB GLU B 34 12.047 6.886 33.867 1.00 32.17 C ATOM 616 CG GLU B 34 13.501 6.419 33.817 1.00 32.97 C ATOM 617 CD GLU B 34 14.459 7.569 33.652 1.00 37.21 C ATOM 618 OE1 GLU B 34 14.128 8.471 32.841 1.00 38.91 O ATOM 619 OE2 GLU B 34 15.519 7.586 34.331 1.00 37.72 O ATOM 620 N GLY B 35 9.245 7.618 35.727 1.00 31.32 N ATOM 621 CA GLY B 35 7.917 8.229 35.617 1.00 31.36 C ATOM 622 C GLY B 35 7.029 7.882 34.430 1.00 31.77 C ATOM 623 O GLY B 35 5.921 8.424 34.301 1.00 32.59 O ATOM 624 N ILE B 36 7.478 6.972 33.564 1.00 31.04 N ATOM 625 CA ILE B 36 6.678 6.585 32.409 1.00 30.20 C ATOM 626 C ILE B 36 5.754 5.436 32.767 1.00 29.37 C ATOM 627 O ILE B 36 6.252 4.397 33.197 1.00 29.40 O ATOM 628 CB ILE B 36 7.576 6.132 31.218 1.00 30.44 C ATOM 629 CG1 ILE B 36 8.696 7.150 30.982 1.00 31.04 C ATOM 630 CG2 ILE B 36 6.702 5.904 29.954 1.00 29.85 C ATOM 631 CD1 ILE B 36 10.019 6.576 30.547 1.00 30.80 C ATOM 632 N PRO B 37 4.419 5.603 32.567 1.00 28.29 N ATOM 633 CA PRO B 37 3.463 4.528 32.750 1.00 27.75 C ATOM 634 C PRO B 37 3.795 3.353 31.832 1.00 26.72 C ATOM 635 O PRO B 37 4.243 3.579 30.699 1.00 25.06 O ATOM 636 CB PRO B 37 2.131 5.160 32.341 1.00 27.98 C ATOM 637 CG PRO B 37 2.349 6.638 32.572 1.00 29.61 C ATOM 638 CD PRO B 37 3.748 6.847 32.141 1.00 29.11 C ATOM 639 N PRO B 38 3.630 2.112 32.343 1.00 26.76 N ATOM 640 CA PRO B 38 3.782 0.895 31.552 1.00 27.16 C ATOM 641 C PRO B 38 3.072 0.916 30.191 1.00 28.28 C ATOM 642 O PRO B 38 3.617 0.388 29.233 1.00 28.29 O ATOM 643 CB PRO B 38 3.233 -0.182 32.477 1.00 27.53 C ATOM 644 CG PRO B 38 3.655 0.308 33.833 1.00 27.04 C ATOM 645 CD PRO B 38 3.378 1.796 33.767 1.00 26.73 C ATOM 646 N ASP B 39 1.892 1.534 30.082 1.00 29.12 N ATOM 647 CA ASP B 39 1.203 1.526 28.784 1.00 29.42 C ATOM 648 C ASP B 39 1.763 2.486 27.734 1.00 28.73 C ATOM 649 O ASP B 39 1.391 2.397 26.552 1.00 30.24 O ATOM 650 CB ASP B 39 -0.316 1.689 28.901 1.00 30.44 C ATOM 651 CG ASP B 39 -0.711 2.815 29.777 1.00 31.39 C ATOM 652 OD1 ASP B 39 -1.710 2.618 30.475 1.00 34.65 O ATOM 653 OD2 ASP B 39 -0.037 3.874 29.804 1.00 33.73 O ATOM 654 N GLN B 40 2.624 3.407 28.143 1.00 27.04 N ATOM 655 CA GLN B 40 3.356 4.207 27.169 1.00 25.59 C ATOM 656 C GLN B 40 4.691 3.622 26.712 1.00 22.77 C ATOM 657 O GLN B 40 5.397 4.256 25.942 1.00 21.80 O ATOM 658 CB GLN B 40 3.539 5.623 27.659 1.00 26.47 C ATOM 659 CG GLN B 40 2.194 6.356 27.593 1.00 30.34 C ATOM 660 CD GLN B 40 2.044 7.350 28.667 1.00 33.09 C ATOM 661 OE1 GLN B 40 0.974 7.437 29.300 1.00 38.76 O ATOM 662 NE2 GLN B 40 3.100 8.128 28.908 1.00 34.76 N ATOM 663 N GLN B 41 5.010 2.422 27.169 1.00 18.59 N ATOM 664 CA GLN B 41 6.344 1.873 26.962 1.00 16.63 C ATOM 665 C GLN B 41 6.296 0.780 25.884 1.00 16.44 C ATOM 666 O GLN B 41 5.459 -0.128 25.926 1.00 17.03 O ATOM 667 CB GLN B 41 6.861 1.288 28.272 1.00 15.78 C ATOM 668 CG GLN B 41 7.216 2.349 29.341 1.00 14.03 C ATOM 669 CD GLN B 41 7.708 1.710 30.597 1.00 17.41 C ATOM 670 OE1 GLN B 41 8.464 0.736 30.554 1.00 14.32 O ATOM 671 NE2 GLN B 41 7.260 2.236 31.749 1.00 16.33 N ATOM 672 N ARG B 42 7.201 0.852 24.926 1.00 16.11 N ATOM 673 CA ARG B 42 7.443 -0.316 24.072 1.00 15.66 C ATOM 674 C ARG B 42 8.908 -0.692 24.229 1.00 15.54 C ATOM 675 O ARG B 42 9.776 0.192 24.132 1.00 14.66 O ATOM 676 CB ARG B 42 7.139 0.019 22.624 1.00 17.32 C ATOM 677 CG ARG B 42 5.684 0.346 22.378 1.00 21.67 C ATOM 678 CD ARG B 42 4.786 -0.854 22.733 1.00 26.53 C ATOM 679 NE ARG B 42 3.425 -0.485 22.379 1.00 33.24 N ATOM 680 CZ ARG B 42 2.576 0.130 23.197 1.00 35.30 C ATOM 681 NH1 ARG B 42 2.911 0.411 24.452 1.00 36.06 N ATOM 682 NH2 ARG B 42 1.381 0.468 22.743 1.00 38.14 N ATOM 683 N LEU B 43 9.175 -1.975 24.485 1.00 14.42 N ATOM 684 CA LEU B 43 10.552 -2.492 24.637 1.00 13.08 C ATOM 685 C LEU B 43 10.942 -3.463 23.511 1.00 14.56 C ATOM 686 O LEU B 43 10.197 -4.406 23.174 1.00 15.26 O ATOM 687 CB LEU B 43 10.703 -3.138 26.018 1.00 13.28 C ATOM 688 CG LEU B 43 10.553 -2.228 27.258 1.00 11.40 C ATOM 689 CD1 LEU B 43 10.383 -3.118 28.538 1.00 11.57 C ATOM 690 CD2 LEU B 43 11.809 -1.326 27.362 1.00 12.18 C ATOM 691 N ILE B 44 12.116 -3.226 22.950 1.00 14.10 N ATOM 692 CA ILE B 44 12.657 -3.927 21.798 1.00 15.53 C ATOM 693 C ILE B 44 13.939 -4.626 22.266 1.00 14.99 C ATOM 694 O ILE B 44 14.827 -3.998 22.850 1.00 14.40 O ATOM 695 CB ILE B 44 13.020 -2.926 20.653 1.00 15.41 C ATOM 696 CG1 ILE B 44 11.792 -2.097 20.236 1.00 17.78 C ATOM 697 CG2 ILE B 44 13.679 -3.612 19.426 1.00 16.49 C ATOM 698 CD1 ILE B 44 10.537 -2.943 19.936 1.00 16.67 C ATOM 699 N PHE B 45 14.049 -5.907 21.977 1.00 14.59 N ATOM 700 CA PHE B 45 15.312 -6.597 22.180 1.00 15.95 C ATOM 701 C PHE B 45 15.434 -7.694 21.147 1.00 15.76 C ATOM 702 O PHE B 45 14.484 -8.479 20.929 1.00 16.96 O ATOM 703 CB PHE B 45 15.438 -7.165 23.609 1.00 16.29 C ATOM 704 CG PHE B 45 16.732 -7.938 23.858 1.00 17.30 C ATOM 705 CD1 PHE B 45 17.930 -7.265 24.073 1.00 16.45 C ATOM 706 CD2 PHE B 45 16.740 -9.343 23.825 1.00 18.21 C ATOM 707 CE1 PHE B 45 19.132 -7.972 24.295 1.00 18.52 C ATOM 708 CE2 PHE B 45 17.926 -10.054 24.048 1.00 21.91 C ATOM 709 CZ PHE B 45 19.125 -9.370 24.266 1.00 19.60 C ATOM 710 N ALA B 46 16.586 -7.716 20.494 1.00 16.30 N ATOM 711 CA ALA B 46 16.955 -8.778 19.550 1.00 17.28 C ATOM 712 C ALA B 46 15.897 -8.954 18.449 1.00 17.99 C ATOM 713 O ALA B 46 15.427 -10.078 18.167 1.00 18.58 O ATOM 714 CB ALA B 46 17.205 -10.078 20.321 1.00 17.19 C ATOM 715 N GLY B 47 15.514 -7.831 17.833 1.00 17.29 N ATOM 716 CA GLY B 47 14.511 -7.808 16.754 1.00 17.86 C ATOM 717 C GLY B 47 13.097 -8.229 17.153 1.00 17.41 C ATOM 718 O GLY B 47 12.301 -8.620 16.297 1.00 18.26 O ATOM 719 N LYS B 48 12.793 -8.177 18.445 1.00 17.51 N ATOM 720 CA LYS B 48 11.472 -8.524 18.963 1.00 18.45 C ATOM 721 C LYS B 48 10.888 -7.429 19.844 1.00 19.17 C ATOM 722 O LYS B 48 11.634 -6.705 20.532 1.00 18.35 O ATOM 723 CB LYS B 48 11.531 -9.830 19.756 1.00 19.20 C ATOM 724 CG LYS B 48 11.712 -11.093 18.899 1.00 20.13 C ATOM 725 CD LYS B 48 12.024 -12.281 19.801 1.00 24.25 C ATOM 726 CE LYS B 48 13.317 -12.025 20.563 1.00 27.33 C ATOM 727 NZ LYS B 48 14.511 -12.343 19.708 1.00 30.69 N ATOM 728 N GLN B 49 9.564 -7.284 19.806 1.00 18.99 N ATOM 729 CA GLN B 49 8.897 -6.375 20.719 1.00 20.14 C ATOM 730 C GLN B 49 8.431 -7.235 21.895 1.00 20.60 C ATOM 731 O GLN B 49 7.759 -8.245 21.713 1.00 21.08 O ATOM 732 CB GLN B 49 7.737 -5.635 20.039 1.00 20.15 C ATOM 733 CG GLN B 49 7.228 -4.434 20.869 1.00 22.50 C ATOM 734 CD GLN B 49 6.088 -3.708 20.192 1.00 22.28 C ATOM 735 OE1 GLN B 49 5.001 -4.284 19.992 1.00 30.17 O ATOM 736 NE2 GLN B 49 6.304 -2.449 19.845 1.00 19.72 N ATOM 737 N LEU B 50 8.815 -6.849 23.101 1.00 19.44 N ATOM 738 CA LEU B 50 8.647 -7.704 24.277 1.00 19.67 C ATOM 739 C LEU B 50 7.212 -7.659 24.809 1.00 20.08 C ATOM 740 O LEU B 50 6.690 -6.594 25.055 1.00 19.17 O ATOM 741 CB LEU B 50 9.649 -7.300 25.367 1.00 17.99 C ATOM 742 CG LEU B 50 11.093 -7.247 24.870 1.00 18.50 C ATOM 743 CD1 LEU B 50 12.069 -6.950 26.045 1.00 17.08 C ATOM 744 CD2 LEU B 50 11.521 -8.499 24.100 1.00 19.32 C ATOM 745 N GLU B 51 6.612 -8.835 25.008 1.00 20.34 N ATOM 746 CA GLU B 51 5.221 -8.965 25.481 1.00 21.72 C ATOM 747 C GLU B 51 5.084 -9.063 27.004 1.00 22.57 C ATOM 748 O GLU B 51 5.860 -9.760 27.658 1.00 22.17 O ATOM 749 CB GLU B 51 4.576 -10.210 24.853 1.00 21.60 C ATOM 750 CG GLU B 51 4.343 -10.091 23.396 1.00 24.66 C ATOM 751 CD GLU B 51 3.899 -11.422 22.782 1.00 30.94 C ATOM 752 OE1 GLU B 51 3.330 -12.273 23.522 1.00 30.67 O ATOM 753 OE2 GLU B 51 4.147 -11.603 21.574 1.00 33.57 O ATOM 754 N ASP B 52 4.046 -8.427 27.551 1.00 23.58 N ATOM 755 CA ASP B 52 3.909 -8.196 29.013 1.00 24.76 C ATOM 756 C ASP B 52 3.977 -9.415 29.917 1.00 24.35 C ATOM 757 O ASP B 52 4.549 -9.329 31.009 1.00 23.01 O ATOM 758 CB ASP B 52 2.578 -7.550 29.334 1.00 26.18 C ATOM 759 CG ASP B 52 2.565 -6.071 29.097 1.00 28.70 C ATOM 760 OD1 ASP B 52 1.466 -5.540 29.270 1.00 33.62 O ATOM 761 OD2 ASP B 52 3.599 -5.438 28.745 1.00 32.48 O ATOM 762 N GLY B 53 3.332 -10.516 29.508 1.00 23.26 N ATOM 763 CA GLY B 53 3.204 -11.677 30.401 1.00 23.37 C ATOM 764 C GLY B 53 4.368 -12.642 30.378 1.00 23.32 C ATOM 765 O GLY B 53 4.415 -13.588 31.188 1.00 24.92 O ATOM 766 N ARG B 54 5.309 -12.414 29.459 1.00 21.54 N ATOM 767 CA ARG B 54 6.501 -13.259 29.294 1.00 19.86 C ATOM 768 C ARG B 54 7.608 -12.678 30.153 1.00 19.28 C ATOM 769 O ARG B 54 7.490 -11.541 30.628 1.00 19.24 O ATOM 770 CB ARG B 54 6.943 -13.275 27.831 1.00 20.00 C ATOM 771 CG ARG B 54 5.771 -13.569 26.903 1.00 23.44 C ATOM 772 CD ARG B 54 6.116 -14.363 25.709 1.00 24.41 C ATOM 773 NE ARG B 54 4.941 -14.451 24.839 1.00 28.73 N ATOM 774 CZ ARG B 54 4.102 -15.480 24.788 1.00 29.09 C ATOM 775 NH1 ARG B 54 3.070 -15.436 23.949 1.00 29.99 N ATOM 776 NH2 ARG B 54 4.283 -16.551 25.561 1.00 29.67 N ATOM 777 N THR B 55 8.657 -13.450 30.369 1.00 17.51 N ATOM 778 CA THR B 55 9.722 -13.024 31.270 1.00 16.43 C ATOM 779 C THR B 55 10.960 -12.647 30.477 1.00 15.25 C ATOM 780 O THR B 55 11.051 -12.931 29.282 1.00 15.23 O ATOM 781 CB THR B 55 10.101 -14.118 32.226 1.00 15.82 C ATOM 782 OG1 THR B 55 10.629 -15.210 31.461 1.00 17.34 O ATOM 783 CG2 THR B 55 8.832 -14.591 33.020 1.00 18.65 C ATOM 784 N LEU B 56 11.920 -12.012 31.146 1.00 14.38 N ATOM 785 CA LEU B 56 13.206 -11.703 30.486 1.00 13.29 C ATOM 786 C LEU B 56 13.842 -12.960 29.914 1.00 13.81 C ATOM 787 O LEU B 56 14.292 -12.961 28.762 1.00 13.68 O ATOM 788 CB LEU B 56 14.146 -11.035 31.477 1.00 12.80 C ATOM 789 CG LEU B 56 13.695 -9.650 31.940 1.00 14.86 C ATOM 790 CD1 LEU B 56 14.649 -9.263 33.090 1.00 13.74 C ATOM 791 CD2 LEU B 56 13.817 -8.641 30.797 1.00 14.17 C ATOM 792 N SER B 57 13.838 -14.043 30.709 1.00 13.54 N ATOM 793 CA SER B 57 14.412 -15.299 30.300 1.00 15.80 C ATOM 794 C SER B 57 13.737 -15.922 29.076 1.00 15.57 C ATOM 795 O SER B 57 14.411 -16.543 28.275 1.00 16.68 O ATOM 796 CB SER B 57 14.465 -16.280 31.481 1.00 16.71 C ATOM 797 OG SER B 57 15.429 -15.800 32.423 1.00 21.58 O ATOM 798 N ASP B 58 12.435 -15.713 28.912 1.00 14.80 N ATOM 799 CA ASP B 58 11.730 -16.232 27.721 1.00 15.95 C ATOM 800 C ASP B 58 12.318 -15.650 26.427 1.00 16.24 C ATOM 801 O ASP B 58 12.256 -16.276 25.365 1.00 15.94 O ATOM 802 CB ASP B 58 10.253 -15.909 27.796 1.00 14.27 C ATOM 803 CG ASP B 58 9.511 -16.729 28.865 1.00 16.32 C ATOM 804 OD1 ASP B 58 8.463 -16.253 29.282 1.00 17.61 O ATOM 805 OD2 ASP B 58 9.965 -17.807 29.300 1.00 16.01 O ATOM 806 N TYR B 59 12.901 -14.454 26.541 1.00 16.79 N ATOM 807 CA TYR B 59 13.594 -13.794 25.419 1.00 17.79 C ATOM 808 C TYR B 59 15.113 -13.944 25.443 1.00 18.93 C ATOM 809 O TYR B 59 15.811 -13.218 24.715 1.00 20.93 O ATOM 810 CB TYR B 59 13.237 -12.316 25.417 1.00 17.79 C ATOM 811 CG TYR B 59 11.780 -12.078 25.121 1.00 16.31 C ATOM 812 CD1 TYR B 59 10.899 -11.678 26.108 1.00 17.56 C ATOM 813 CD2 TYR B 59 11.294 -12.240 23.835 1.00 16.66 C ATOM 814 CE1 TYR B 59 9.551 -11.461 25.821 1.00 16.84 C ATOM 815 CE2 TYR B 59 9.925 -12.056 23.534 1.00 16.51 C ATOM 816 CZ TYR B 59 9.075 -11.659 24.540 1.00 17.97 C ATOM 817 OH TYR B 59 7.755 -11.434 24.231 1.00 18.36 O ATOM 818 N ASN B 60 15.628 -14.868 26.250 1.00 18.82 N ATOM 819 CA ASN B 60 17.072 -15.090 26.398 1.00 19.89 C ATOM 820 C ASN B 60 17.818 -13.767 26.714 1.00 19.88 C ATOM 821 O ASN B 60 18.980 -13.540 26.302 1.00 21.50 O ATOM 822 CB ASN B 60 17.637 -15.829 25.175 1.00 20.49 C ATOM 823 CG ASN B 60 18.622 -16.932 25.548 1.00 25.38 C ATOM 824 OD1 ASN B 60 19.299 -17.489 24.680 1.00 30.47 O ATOM 825 ND2 ASN B 60 18.740 -17.229 26.845 1.00 27.83 N ATOM 826 N ILE B 61 17.130 -12.880 27.428 1.00 18.78 N ATOM 827 CA ILE B 61 17.738 -11.650 27.962 1.00 17.96 C ATOM 828 C ILE B 61 18.584 -12.006 29.198 1.00 18.30 C ATOM 829 O ILE B 61 18.084 -12.504 30.202 1.00 17.90 O ATOM 830 CB ILE B 61 16.674 -10.605 28.274 1.00 17.14 C ATOM 831 CG1 ILE B 61 15.984 -10.131 26.990 1.00 18.25 C ATOM 832 CG2 ILE B 61 17.239 -9.383 29.018 1.00 16.21 C ATOM 833 CD1 ILE B 61 14.724 -9.337 27.289 1.00 16.05 C ATOM 834 N GLN B 62 19.889 -11.782 29.095 1.00 19.14 N ATOM 835 CA GLN B 62 20.822 -12.162 30.141 1.00 19.96 C ATOM 836 C GLN B 62 21.397 -10.917 30.822 1.00 17.75 C ATOM 837 O GLN B 62 21.132 -9.801 30.382 1.00 17.73 O ATOM 838 CB GLN B 62 21.921 -13.074 29.546 1.00 19.98 C ATOM 839 CG GLN B 62 21.415 -14.518 29.228 1.00 24.03 C ATOM 840 CD GLN B 62 22.538 -15.566 29.017 1.00 25.39 C ATOM 841 OE1 GLN B 62 22.495 -16.337 28.058 1.00 34.54 O ATOM 842 NE2 GLN B 62 23.506 -15.627 29.939 1.00 32.07 N ATOM 843 N LYS B 63 22.202 -11.103 31.873 1.00 15.63 N ATOM 844 CA LYS B 63 22.872 -9.981 32.531 1.00 15.57 C ATOM 845 C LYS B 63 23.594 -9.072 31.533 1.00 13.49 C ATOM 846 O LYS B 63 24.193 -9.525 30.526 1.00 13.46 O ATOM 847 CB LYS B 63 23.856 -10.449 33.602 1.00 16.14 C ATOM 848 CG LYS B 63 25.126 -11.111 33.028 1.00 16.50 C ATOM 849 CD LYS B 63 26.123 -11.408 34.201 1.00 20.85 C ATOM 850 CE LYS B 63 27.437 -11.965 33.676 1.00 26.59 C ATOM 851 NZ LYS B 63 28.268 -10.887 33.080 1.00 32.10 N ATOM 852 N GLU B 64 23.483 -7.785 31.793 1.00 13.35 N ATOM 853 CA GLU B 64 24.086 -6.751 30.926 1.00 15.82 C ATOM 854 C GLU B 64 23.525 -6.589 29.497 1.00 14.60 C ATOM 855 O GLU B 64 24.065 -5.838 28.682 1.00 14.49 O ATOM 856 CB GLU B 64 25.632 -6.827 30.970 1.00 15.96 C ATOM 857 CG GLU B 64 26.133 -6.340 32.312 1.00 19.60 C ATOM 858 CD GLU B 64 26.598 -7.418 33.281 1.00 28.16 C ATOM 859 OE1 GLU B 64 27.508 -8.195 32.867 1.00 28.71 O ATOM 860 OE2 GLU B 64 26.137 -7.406 34.481 1.00 27.69 O ATOM 861 N SER B 65 22.390 -7.223 29.214 1.00 14.40 N ATOM 862 CA SER B 65 21.688 -6.990 27.960 1.00 14.09 C ATOM 863 C SER B 65 21.168 -5.562 27.917 1.00 13.97 C ATOM 864 O SER B 65 20.849 -4.984 28.955 1.00 14.11 O ATOM 865 CB SER B 65 20.480 -7.923 27.843 1.00 13.03 C ATOM 866 OG SER B 65 20.911 -9.254 27.634 1.00 15.27 O ATOM 867 N THR B 66 21.066 -5.002 26.715 1.00 14.26 N ATOM 868 CA THR B 66 20.548 -3.634 26.540 1.00 14.61 C ATOM 869 C THR B 66 19.236 -3.721 25.763 1.00 13.88 C ATOM 870 O THR B 66 19.211 -4.200 24.632 1.00 15.09 O ATOM 871 CB THR B 66 21.550 -2.676 25.819 1.00 15.34 C ATOM 872 OG1 THR B 66 22.745 -2.555 26.597 1.00 15.29 O ATOM 873 CG2 THR B 66 20.947 -1.238 25.671 1.00 14.64 C ATOM 874 N LEU B 67 18.163 -3.269 26.383 1.00 14.02 N ATOM 875 CA LEU B 67 16.864 -3.139 25.718 1.00 14.21 C ATOM 876 C LEU B 67 16.722 -1.717 25.176 1.00 14.16 C ATOM 877 O LEU B 67 17.380 -0.791 25.698 1.00 14.09 O ATOM 878 CB LEU B 67 15.728 -3.374 26.712 1.00 13.85 C ATOM 879 CG LEU B 67 15.727 -4.527 27.743 1.00 17.53 C ATOM 880 CD1 LEU B 67 14.289 -4.759 28.356 1.00 13.56 C ATOM 881 CD2 LEU B 67 16.334 -5.800 27.270 1.00 15.62 C ATOM 882 N HIS B 68 15.883 -1.548 24.142 1.00 12.94 N ATOM 883 CA HIS B 68 15.591 -0.219 23.631 1.00 13.32 C ATOM 884 C HIS B 68 14.121 0.156 23.896 1.00 13.58 C ATOM 885 O HIS B 68 13.189 -0.586 23.550 1.00 13.76 O ATOM 886 CB HIS B 68 15.952 -0.066 22.151 1.00 13.62 C ATOM 887 CG HIS B 68 17.430 -0.145 21.896 1.00 15.18 C ATOM 888 ND1 HIS B 68 18.210 0.955 21.584 1.00 19.72 N ATOM 889 CD2 HIS B 68 18.273 -1.189 21.974 1.00 15.21 C ATOM 890 CE1 HIS B 68 19.465 0.573 21.436 1.00 14.46 C ATOM 891 NE2 HIS B 68 19.535 -0.720 21.686 1.00 19.23 N ATOM 892 N LEU B 69 13.945 1.313 24.531 1.00 13.37 N ATOM 893 CA LEU B 69 12.615 1.811 24.876 1.00 12.49 C ATOM 894 C LEU B 69 12.121 2.840 23.873 1.00 14.09 C ATOM 895 O LEU B 69 12.850 3.741 23.481 1.00 13.91 O ATOM 896 CB LEU B 69 12.664 2.463 26.250 1.00 13.05 C ATOM 897 CG LEU B 69 11.387 3.199 26.721 1.00 13.35 C ATOM 898 CD1 LEU B 69 10.205 2.249 26.900 1.00 13.45 C ATOM 899 CD2 LEU B 69 11.687 3.974 28.021 1.00 12.71 C ATOM 900 N VAL B 70 10.865 2.702 23.461 1.00 15.24 N ATOM 901 CA VAL B 70 10.202 3.725 22.644 1.00 16.94 C ATOM 902 C VAL B 70 8.907 4.084 23.338 1.00 18.01 C ATOM 903 O VAL B 70 8.175 3.205 23.805 1.00 17.45 O ATOM 904 CB VAL B 70 9.826 3.219 21.235 1.00 17.09 C ATOM 905 CG1 VAL B 70 9.240 4.348 20.378 1.00 18.23 C ATOM 906 CG2 VAL B 70 11.035 2.657 20.512 1.00 17.63 C ATOM 907 N LEU B 71 8.604 5.371 23.374 1.00 19.59 N ATOM 908 CA LEU B 71 7.394 5.810 24.027 1.00 22.46 C ATOM 909 C LEU B 71 6.250 5.806 23.006 1.00 24.37 C ATOM 910 O LEU B 71 6.475 5.911 21.776 1.00 23.74 O ATOM 911 CB LEU B 71 7.620 7.181 24.664 1.00 23.30 C ATOM 912 CG LEU B 71 8.157 7.264 26.105 1.00 24.51 C ATOM 913 CD1 LEU B 71 8.656 5.938 26.700 1.00 23.98 C ATOM 914 CD2 LEU B 71 9.199 8.358 26.203 1.00 28.65 C ATOM 915 N ARG B 72 5.034 5.575 23.479 1.00 25.38 N ATOM 916 CA ARG B 72 3.918 5.633 22.555 1.00 28.72 C ATOM 917 C ARG B 72 3.404 7.079 22.524 1.00 28.98 C ATOM 918 O ARG B 72 2.548 7.492 23.343 1.00 30.87 O ATOM 919 CB ARG B 72 2.818 4.673 22.954 1.00 29.48 C ATOM 920 CG ARG B 72 2.038 4.176 21.766 1.00 35.17 C ATOM 921 CD ARG B 72 0.501 4.250 21.994 1.00 41.46 C ATOM 922 NE ARG B 72 -0.221 3.505 20.963 1.00 44.48 N ATOM 923 CZ ARG B 72 -1.501 3.137 21.035 1.00 46.24 C ATOM 924 NH1 ARG B 72 -2.031 2.454 20.031 1.00 45.28 N ATOM 925 NH2 ARG B 72 -2.249 3.447 22.095 1.00 45.90 N TER 926 ARG B 72 HETATM 927 O HOH A 2 18.014 4.698 18.339 1.00 13.26 O HETATM 928 O HOH A 3 15.488 -6.300 0.065 1.00 18.59 O HETATM 929 O HOH A 4 21.121 -2.028 18.577 1.00 17.18 O HETATM 930 O HOH A 5 20.702 -4.770 17.806 1.00 15.75 O HETATM 931 O HOH A 7 14.259 9.987 14.238 1.00 20.27 O HETATM 932 O HOH A 9 13.084 8.653 16.620 1.00 18.50 O HETATM 933 O HOH A 14 28.861 -3.130 7.974 1.00 19.50 O HETATM 934 O HOH A 18 18.435 -7.056 16.378 1.00 19.10 O HETATM 935 O HOH A 21 3.479 -3.722 14.908 1.00 30.37 O HETATM 936 O HOH A 23 7.496 -7.545 10.517 1.00 24.86 O HETATM 937 O HOH A 24 22.636 -5.836 15.375 1.00 30.66 O HETATM 938 O HOH A 27 8.986 8.012 0.718 1.00 27.37 O HETATM 939 O HOH A 29 14.449 -5.989 10.483 1.00 25.76 O HETATM 940 O HOH A 36 18.029 -3.722 22.189 1.00 26.23 O HETATM 941 O HOH A 43 18.362 10.018 15.885 1.00 35.08 O HETATM 942 O HOH A 45 5.692 3.426 17.744 1.00 34.61 O HETATM 943 O HOH A 48 4.797 -0.809 17.876 1.00 37.98 O HETATM 944 O HOH A 49 23.830 -2.053 8.539 1.00 41.53 O HETATM 945 O HOH A 55 14.880 8.867 3.884 1.00 30.65 O HETATM 946 O HOH A 56 24.038 -7.064 16.769 1.00 27.14 O HETATM 947 O HOH A 64 6.559 9.671 0.693 1.00 36.04 O HETATM 948 O HOH A 66 16.084 10.283 5.447 1.00 37.99 O HETATM 949 O HOH A 67 19.933 -0.745 1.171 1.00 30.50 O HETATM 950 O HOH A 70 7.380 11.024 17.748 1.00 31.59 O HETATM 951 O HOH A 72 1.131 6.265 0.419 1.00 39.26 O HETATM 952 O HOH A 73 14.516 -7.354 13.101 1.00 28.52 O HETATM 953 O HOH A 75 16.715 -6.321 9.603 1.00 22.31 O HETATM 954 O HOH A 76 17.914 -8.216 11.225 1.00 30.17 O HETATM 955 O HOH A 78 -0.197 5.893 8.505 1.00 52.08 O HETATM 956 O HOH A 80 16.841 -8.222 14.190 1.00 33.00 O HETATM 957 O HOH A 86 13.587 -8.935 10.575 1.00 33.51 O HETATM 958 O HOH A 88 19.226 -10.051 17.133 1.00 38.34 O HETATM 959 O HOH A 90 12.191 9.647 3.742 1.00 32.40 O HETATM 960 O HOH A 93 9.886 9.885 9.388 1.00 29.83 O HETATM 961 O HOH A 97 2.954 8.709 11.667 1.00 41.41 O HETATM 962 O HOH A 99 3.013 5.753 -2.650 1.00 55.27 O HETATM 963 O HOH A 102 3.573 8.982 5.257 1.00 47.27 O HETATM 964 O HOH A 107 4.922 10.229 11.986 1.00 36.12 O HETATM 965 O HOH A 108 21.903 -8.026 14.127 1.00 38.18 O HETATM 966 O HOH A 110 0.000 3.072 0.001 0.50 41.89 O HETATM 967 O HOH A 113 17.120 -8.211 7.388 1.00 40.09 O HETATM 968 O HOH A 115 -1.291 4.416 1.752 1.00 49.83 O HETATM 969 O HOH A 116 24.473 -8.375 14.381 1.00 48.95 O HETATM 970 O HOH A 118 26.090 -10.069 14.806 1.00 36.80 O HETATM 971 O HOH A 121 23.217 -11.912 15.145 1.00 35.01 O HETATM 972 O HOH A 122 25.474 -13.292 14.633 1.00 34.35 O HETATM 973 O HOH A 123 4.333 2.894 6.864 1.00 36.00 O HETATM 974 O HOH A 127 18.864 8.662 9.120 1.00 41.76 O HETATM 975 O HOH A 129 -1.601 7.254 6.479 1.00 31.16 O HETATM 976 O HOH A 132 9.128 -9.055 9.126 1.00 37.48 O HETATM 977 O HOH A 144 17.604 -7.619 4.955 1.00 33.58 O HETATM 978 O HOH A 148 7.401 9.828 9.409 1.00 35.20 O HETATM 979 O HOH B 77 15.348 -1.296 39.150 1.00 7.50 O HETATM 980 O HOH B 78 22.485 -6.409 24.476 1.00 15.10 O HETATM 981 O HOH B 79 15.538 3.516 22.561 1.00 13.82 O HETATM 982 O HOH B 80 12.645 6.309 24.093 1.00 17.87 O HETATM 983 O HOH B 81 13.119 0.649 39.381 1.00 19.59 O HETATM 984 O HOH B 82 8.255 -9.516 18.334 1.00 24.39 O HETATM 985 O HOH B 83 19.436 3.965 36.204 1.00 20.36 O HETATM 986 O HOH B 84 24.436 -8.297 36.550 1.00 17.87 O HETATM 987 O HOH B 85 22.301 3.693 33.962 1.00 17.83 O HETATM 988 O HOH B 86 10.570 7.712 22.640 1.00 19.03 O HETATM 989 O HOH B 87 6.942 -3.891 24.839 1.00 20.75 O HETATM 990 O HOH B 88 26.524 -4.806 35.695 1.00 20.63 O HETATM 991 O HOH B 89 18.674 14.406 25.029 1.00 31.95 O HETATM 992 O HOH B 90 22.509 -13.676 32.943 1.00 23.11 O HETATM 993 O HOH B 91 13.847 -17.221 23.582 1.00 21.55 O HETATM 994 O HOH B 92 20.217 -15.108 33.080 1.00 21.00 O HETATM 995 O HOH B 93 23.372 6.768 27.681 1.00 22.97 O HETATM 996 O HOH B 94 14.337 9.313 27.942 1.00 24.43 O HETATM 997 O HOH B 95 22.600 -7.131 40.425 1.00 26.95 O HETATM 998 O HOH B 96 18.081 -14.783 31.633 1.00 26.89 O HETATM 999 O HOH B 97 17.824 4.146 21.093 1.00 27.63 O HETATM 1000 O HOH B 98 10.871 -12.418 39.321 1.00 26.74 O HETATM 1001 O HOH B 99 15.521 -18.698 27.008 1.00 27.19 O HETATM 1002 O HOH B 100 13.477 -8.271 40.651 1.00 29.65 O HETATM 1003 O HOH B 101 22.569 -9.582 25.410 1.00 34.00 O HETATM 1004 O HOH B 102 20.083 -11.864 39.745 1.00 32.26 O HETATM 1005 O HOH B 103 11.299 -0.384 41.293 1.00 28.64 O HETATM 1006 O HOH B 104 -0.072 -1.809 32.498 1.00 29.16 O HETATM 1007 O HOH B 105 3.045 -0.815 27.148 1.00 26.58 O HETATM 1008 O HOH B 106 15.857 -7.776 41.329 1.00 30.19 O HETATM 1009 O HOH B 107 8.025 -15.707 36.395 1.00 29.00 O HETATM 1010 O HOH B 108 1.940 -7.420 26.085 1.00 34.07 O HETATM 1011 O HOH B 109 5.572 1.173 38.979 1.00 28.93 O HETATM 1012 O HOH B 110 24.525 -4.491 26.510 1.00 27.91 O HETATM 1013 O HOH B 111 24.720 -7.077 38.749 1.00 35.73 O HETATM 1014 O HOH B 112 23.287 -13.350 35.988 1.00 27.10 O HETATM 1015 O HOH B 113 19.280 -7.551 41.030 1.00 32.21 O HETATM 1016 O HOH B 114 26.039 -1.043 36.421 1.00 25.43 O HETATM 1017 O HOH B 115 -0.115 8.449 23.163 1.00 40.48 O HETATM 1018 O HOH B 116 4.080 7.507 36.057 1.00 33.58 O HETATM 1019 O HOH B 117 25.499 -11.696 29.562 1.00 29.45 O HETATM 1020 O HOH B 118 3.669 -6.717 21.634 1.00 35.55 O HETATM 1021 O HOH B 119 24.392 -11.120 37.362 1.00 25.58 O HETATM 1022 O HOH B 120 16.262 -13.020 22.012 1.00 28.01 O HETATM 1023 O HOH B 121 24.065 -0.249 27.243 1.00 40.43 O HETATM 1024 O HOH B 122 12.581 8.417 25.604 1.00 31.64 O HETATM 1025 O HOH B 123 3.722 -9.695 35.946 1.00 28.26 O HETATM 1026 O HOH B 124 13.705 2.547 41.297 1.00 34.54 O HETATM 1027 O HOH B 125 17.914 -0.021 40.277 1.00 37.95 O HETATM 1028 O HOH B 126 0.585 6.734 20.212 1.00 28.36 O HETATM 1029 O HOH B 127 14.499 -15.311 21.639 1.00 34.10 O HETATM 1030 O HOH B 128 23.516 2.511 26.478 1.00 30.61 O HETATM 1031 O HOH B 129 4.060 -5.224 37.643 1.00 33.23 O HETATM 1032 O HOH B 130 -4.315 3.982 24.425 1.00 40.15 O HETATM 1033 O HOH B 131 0.469 2.151 24.107 1.00 32.68 O HETATM 1034 O HOH B 132 2.410 -7.284 36.911 1.00 31.26 O HETATM 1035 O HOH B 133 2.807 7.773 19.884 1.00 37.79 O HETATM 1036 O HOH B 134 9.585 -10.336 15.998 1.00 34.01 O HETATM 1037 O HOH B 135 3.615 -19.683 25.826 1.00 38.16 O HETATM 1038 O HOH B 136 18.375 12.368 28.142 1.00 37.77 O HETATM 1039 O HOH B 137 20.656 -12.961 24.320 1.00 33.45 O HETATM 1040 O HOH B 138 14.253 -2.849 41.469 1.00 29.02 O HETATM 1041 O HOH B 139 19.271 6.269 21.821 1.00 38.85 O HETATM 1042 O HOH B 140 11.372 -3.221 41.435 1.00 35.76 O HETATM 1043 O HOH B 141 18.057 -15.223 40.145 1.00 43.64 O HETATM 1044 O HOH B 142 5.766 -8.518 19.540 1.00 32.90 O HETATM 1045 O HOH B 143 24.655 -13.319 27.237 1.00 37.34 O HETATM 1046 O HOH B 144 19.170 -15.213 42.203 1.00 70.19 O HETATM 1047 O HOH B 145 8.412 7.693 39.469 1.00 41.70 O HETATM 1048 O HOH B 146 8.630 -12.217 19.929 1.00 41.86 O HETATM 1049 O HOH B 147 3.660 -2.633 35.032 1.00 33.92 O HETATM 1050 O HOH B 148 8.158 -2.419 40.716 1.00 39.53 O HETATM 1051 O HOH B 149 27.534 -1.275 38.956 1.00 35.02 O HETATM 1052 O HOH B 150 0.000 0.000 34.953 0.50 17.69 O HETATM 1053 O HOH B 151 7.073 -10.732 21.009 1.00 61.51 O HETATM 1054 O HOH B 152 1.482 -19.049 26.022 1.00 54.93 O HETATM 1055 O HOH B 153 8.201 -5.128 38.987 1.00 41.62 O HETATM 1056 O HOH B 154 29.060 -10.445 30.687 1.00 41.62 O HETATM 1057 O HOH B 155 19.056 9.882 20.362 1.00 46.29 O HETATM 1058 O HOH B 156 1.730 1.390 19.923 1.00 32.83 O HETATM 1059 O HOH B 157 28.434 -8.079 30.909 1.00 16.79 O HETATM 1060 O HOH B 158 11.931 -12.428 15.742 1.00 41.52 O MASTER 307 0 0 6 5 0 0 6 1058 2 0 10 END
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Entry Information
PDB ID
2oob
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
UBA domain from Cbl-b ubiquitin ligase
Ligand Name
ubiquitin
EC.Number
E.C.6.3.2.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=57uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Mol.Cell Vol. 27: pp. 474-485
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):
Q13191
P0CH28
Entrez Gene ID
NCBI Entrez Gene ID:
868
444874
ASD
Information of known allosteric effects of PDB entries
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