Browse entries in the PDBbind-CN Database
HEADER GTP BINDING PROTEIN/TRANSFERASE 27-NOV-09 3KUC TITLE COMPLEX OF RAP1A(E30D/K31E)GDP WITH RAFRBD(A85K/N71R) COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAS-RELATED PROTEIN RAP-1A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 1-167; COMPND 5 SYNONYM: GTP-BINDING PROTEIN SMG-P21A, RAS-RELATED PROTEIN KREV-1, COMPND 6 C21KG, G-22K; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 10 MOLECULE: RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE; COMPND 11 CHAIN: B; COMPND 12 FRAGMENT: UNP RESIDUES 51-131; COMPND 13 SYNONYM: C-RAF, CRAF, RAF-1; COMPND 14 EC: 2.7.11.1; COMPND 15 ENGINEERED: YES; COMPND 16 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: RAP1A, KREV1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 10 ORGANISM_COMMON: HUMAN; SOURCE 11 ORGANISM_TAXID: 9606; SOURCE 12 GENE: RAF1, RAF; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS RAS-EFFECTOR COMPLEX, GTP-BINDING, NUCLEOTIDE-BINDING, PROTO- KEYWDS 2 ONCOGENE, TRANSFERASE, GTP BINDING PROTEIN-TRANSFERASE COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR D.FILCHTINSKI,O.SHARABI,A.RUEPPEL,I.R.VETTER,C.HERRMANN,J.M.SHIFMAN REVDAT 4 01-NOV-17 3KUC 1 REMARK REVDAT 3 13-JUL-11 3KUC 1 VERSN REVDAT 2 01-SEP-10 3KUC 1 JRNL REVDAT 1 23-MAR-10 3KUC 0 JRNL AUTH D.FILCHTINSKI,O.SHARABI,A.RUPPEL,I.R.VETTER,C.HERRMANN, JRNL AUTH 2 J.M.SHIFMAN JRNL TITL WHAT MAKES RAS AN EFFICIENT MOLECULAR SWITCH: A JRNL TITL 2 COMPUTATIONAL, BIOPHYSICAL, AND STRUCTURAL STUDY OF RAS-GDP JRNL TITL 3 INTERACTIONS WITH MUTANTS OF RAF. JRNL REF J.MOL.BIOL. V. 399 422 2010 JRNL REFN ISSN 0022-2836 JRNL PMID 20361980 JRNL DOI 10.1016/J.JMB.2010.03.046 REMARK 2 REMARK 2 RESOLUTION. 1.92 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0102 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) : 1.92 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 22491 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) : 0.176 REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.209 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1184 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) : 1.92 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.97 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1654 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0 REMARK 3 BIN R VALUE (WORKING SET) : 0.1850 REMARK 3 BIN FREE R VALUE SET COUNT : 87 REMARK 3 BIN FREE R VALUE : 0.2390 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1946 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 181 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.73 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.12000 REMARK 3 B22 (A**2) : 1.20000 REMARK 3 B33 (A**2) : -1.08000 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): 0.136 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.128 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.082 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.148 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2051 ; 0.027 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2779 ; 2.171 ; 1.983 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 257 ; 6.664 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 105 ;37.882 ;24.762 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 391 ;15.950 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;16.565 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 312 ; 0.172 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1541 ; 0.011 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1228 ; 1.407 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1990 ; 2.345 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 823 ; 3.672 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 781 ; 5.585 ; 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 : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 1 A 167 REMARK 3 ORIGIN FOR THE GROUP (A): -8.8037 -14.7357 26.0052 REMARK 3 T TENSOR REMARK 3 T11: 0.0864 T22: 0.0680 REMARK 3 T33: 0.0813 T12: -0.0418 REMARK 3 T13: 0.0453 T23: -0.0524 REMARK 3 L TENSOR REMARK 3 L11: 0.9225 L22: 2.1707 REMARK 3 L33: 5.6321 L12: 0.1971 REMARK 3 L13: 0.3314 L23: 2.7931 REMARK 3 S TENSOR REMARK 3 S11: -0.0684 S12: -0.0408 S13: 0.0438 REMARK 3 S21: 0.3817 S22: -0.3020 S23: 0.2512 REMARK 3 S31: 0.4332 S32: -0.4007 S33: 0.3703 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 56 B 131 REMARK 3 ORIGIN FOR THE GROUP (A): 3.7496 -22.5269 3.3028 REMARK 3 T TENSOR REMARK 3 T11: 0.0103 T22: 0.0636 REMARK 3 T33: 0.0692 T12: 0.0171 REMARK 3 T13: 0.0063 T23: 0.0131 REMARK 3 L TENSOR REMARK 3 L11: 1.9488 L22: 2.0047 REMARK 3 L33: 3.2962 L12: 0.3503 REMARK 3 L13: -1.4799 L23: -0.5534 REMARK 3 S TENSOR REMARK 3 S11: 0.0080 S12: 0.0833 S13: -0.0423 REMARK 3 S21: -0.0656 S22: -0.0623 S23: -0.0327 REMARK 3 S31: 0.1141 S32: 0.0080 S33: 0.0543 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 3KUC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-DEC-09. REMARK 100 THE DEPOSITION ID IS D_1000056457. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-SEP-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X10SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00472 REMARK 200 MONOCHROMATOR : FOCUSED SI(111) MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23432 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.920 REMARK 200 RESOLUTION RANGE LOW (A) : 40.840 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 200 DATA REDUNDANCY : 7.710 REMARK 200 R MERGE (I) : 0.04600 REMARK 200 R SYM (I) : 0.07400 REMARK 200
FOR THE DATA SET : 27.2700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.92 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.3 REMARK 200 DATA REDUNDANCY IN SHELL : 7.66 REMARK 200 R MERGE FOR SHELL (I) : 0.19600 REMARK 200 R SYM FOR SHELL (I) : 0.38400 REMARK 200
FOR SHELL : 7.520 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1GUA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20-25% PEG 8000, 100 MM TRIS OR HEPES REMARK 280 PH 7.2-7.6, 10-200 MM CA ACETATE OR 100 MM AMMONIUM SULFATE, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, PH 7.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.56000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 50.81500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.27000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 50.81500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.56000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.27000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA 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 PRO B 51 REMARK 465 SER B 52 REMARK 465 LYS B 53 REMARK 465 THR B 54 REMARK 465 SER B 55 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 A 268 O HOH A 288 1.92 REMARK 500 O HOH A 300 O HOH A 303 1.95 REMARK 500 N ASN B 56 O HOH B 255 1.96 REMARK 500 NH1 ARG B 71 O HOH B 273 2.14 REMARK 500 O HOH A 300 O HOH A 302 2.15 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 VAL A 126 CB VAL A 126 CG2 0.128 REMARK 500 SER A 146 CB SER A 146 OG 0.102 REMARK 500 CYS B 81 CB CYS B 81 SG -0.106 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 56 CB - CG - CD2 ANGL. DEV. = -10.6 DEGREES REMARK 500 ARG A 124 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG B 59 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG B 71 NE - CZ - NH1 ANGL. DEV. = -3.9 DEGREES REMARK 500 MET B 76 CG - SD - CE ANGL. DEV. = -28.4 DEGREES REMARK 500 ARG B 89 NE - CZ - NH2 ANGL. DEV. = -4.3 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 ILE A 36 -62.20 -100.17 REMARK 500 ASP A 47 -98.96 52.96 REMARK 500 LYS A 117 30.65 76.64 REMARK 500 LEU A 120 51.79 -92.14 REMARK 500 HIS B 105 51.46 -101.14 REMARK 500 LYS B 106 28.09 49.27 REMARK 500 LYS B 108 138.38 -36.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 170 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 171 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 172 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3KUD RELATED DB: PDB DBREF 3KUC A 1 167 UNP P62834 RAP1A_HUMAN 1 167 DBREF 3KUC B 51 131 UNP P04049 RAF1_HUMAN 51 131 SEQADV 3KUC ASP A 30 UNP P62834 GLU 30 ENGINEERED SEQADV 3KUC GLU A 31 UNP P62834 LYS 31 ENGINEERED SEQADV 3KUC ARG B 71 UNP P04049 ASN 71 ENGINEERED SEQADV 3KUC LYS B 85 UNP P04049 ALA 85 ENGINEERED SEQRES 1 A 167 MET ARG GLU TYR LYS LEU VAL VAL LEU GLY SER GLY GLY SEQRES 2 A 167 VAL GLY LYS SER ALA LEU THR VAL GLN PHE VAL GLN GLY SEQRES 3 A 167 ILE PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 167 TYR ARG LYS GLN VAL GLU VAL ASP CYS GLN GLN CYS MET SEQRES 5 A 167 LEU GLU ILE LEU ASP THR ALA GLY THR GLU GLN PHE THR SEQRES 6 A 167 ALA MET ARG ASP LEU TYR MET LYS ASN GLY GLN GLY PHE SEQRES 7 A 167 ALA LEU VAL TYR SER ILE THR ALA GLN SER THR PHE ASN SEQRES 8 A 167 ASP LEU GLN ASP LEU ARG GLU GLN ILE LEU ARG VAL LYS SEQRES 9 A 167 ASP THR GLU ASP VAL PRO MET ILE LEU VAL GLY ASN LYS SEQRES 10 A 167 CYS ASP LEU GLU ASP GLU ARG VAL VAL GLY LYS GLU GLN SEQRES 11 A 167 GLY GLN ASN LEU ALA ARG GLN TRP CYS ASN CYS ALA PHE SEQRES 12 A 167 LEU GLU SER SER ALA LYS SER LYS ILE ASN VAL ASN GLU SEQRES 13 A 167 ILE PHE TYR ASP LEU VAL ARG GLN ILE ASN ARG SEQRES 1 B 81 PRO SER LYS THR SER ASN THR ILE ARG VAL PHE LEU PRO SEQRES 2 B 81 ASN LYS GLN ARG THR VAL VAL ARG VAL ARG ASN GLY MET SEQRES 3 B 81 SER LEU HIS ASP CYS LEU MET LYS LYS LEU LYS VAL ARG SEQRES 4 B 81 GLY LEU GLN PRO GLU CYS CYS ALA VAL PHE ARG LEU LEU SEQRES 5 B 81 HIS GLU HIS LYS GLY LYS LYS ALA ARG LEU ASP TRP ASN SEQRES 6 B 81 THR ASP ALA ALA SER LEU ILE GLY GLU GLU LEU GLN VAL SEQRES 7 B 81 ASP PHE LEU HET GDP A 170 28 HET MG A 171 1 HET CA B 172 1 HETNAM GDP GUANOSINE-5'-DIPHOSPHATE HETNAM MG MAGNESIUM ION HETNAM CA CALCIUM ION FORMUL 3 GDP C10 H15 N5 O11 P2 FORMUL 4 MG MG 2+ FORMUL 5 CA CA 2+ FORMUL 6 HOH *181(H2 O) HELIX 1 1 GLY A 15 GLY A 26 1 12 HELIX 2 2 THR A 61 GLY A 75 1 15 HELIX 3 3 ALA A 86 ASP A 92 1 7 HELIX 4 4 ASP A 92 ASP A 105 1 14 HELIX 5 5 LEU A 120 ARG A 124 5 5 HELIX 6 6 GLY A 127 TRP A 138 1 12 HELIX 7 7 ASN A 153 ARG A 167 1 15 HELIX 8 8 SER B 77 VAL B 88 1 12 HELIX 9 9 GLN B 92 GLU B 94 5 3 HELIX 10 10 HIS B 103 LYS B 106 5 4 HELIX 11 11 ALA B 118 ILE B 122 5 5 SHEET 1 A11 ALA A 142 GLU A 145 0 SHEET 2 A11 MET A 111 ASN A 116 1 N LEU A 113 O LEU A 144 SHEET 3 A11 GLY A 77 SER A 83 1 N LEU A 80 O ILE A 112 SHEET 4 A11 ARG A 2 LEU A 9 1 N LEU A 9 O ALA A 79 SHEET 5 A11 GLN A 49 ASP A 57 1 O GLU A 54 N LEU A 6 SHEET 6 A11 GLU A 37 VAL A 46 -1 N LYS A 42 O LEU A 53 SHEET 7 A11 GLN B 66 ARG B 71 -1 O ARG B 67 N SER A 39 SHEET 8 A11 THR B 57 LEU B 62 -1 N VAL B 60 O THR B 68 SHEET 9 A11 GLU B 125 PHE B 130 1 O VAL B 128 N PHE B 61 SHEET 10 A11 CYS B 96 LEU B 101 -1 N ALA B 97 O ASP B 129 SHEET 11 A11 LYS B 109 LEU B 112 -1 O LEU B 112 N VAL B 98 SITE 1 AC1 24 GLY A 13 VAL A 14 GLY A 15 LYS A 16 SITE 2 AC1 24 SER A 17 ALA A 18 PHE A 28 VAL A 29 SITE 3 AC1 24 ASP A 30 TYR A 32 ASN A 116 LYS A 117 SITE 4 AC1 24 ASP A 119 LEU A 120 SER A 147 ALA A 148 SITE 5 AC1 24 LYS A 149 MG A 171 HOH A 202 HOH A 204 SITE 6 AC1 24 HOH A 206 HOH A 227 HOH A 231 HOH A 237 SITE 1 AC2 6 SER A 17 THR A 35 GDP A 170 HOH A 202 SITE 2 AC2 6 HOH A 204 HOH A 231 SITE 1 AC3 6 ASP B 80 GLY B 123 GLU B 125 HOH B 238 SITE 2 AC3 6 HOH B 242 HOH B 249 CRYST1 43.120 68.540 101.630 90.00 90.00 90.00 P 21 21 21 4 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 0.023191 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014590 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009840 0.00000 ATOM 1 N MET A 1 -13.446 -37.950 20.924 1.00 43.92 N ATOM 2 CA MET A 1 -13.454 -37.057 22.135 1.00 43.26 C ATOM 3 C MET A 1 -14.018 -35.694 21.776 1.00 42.74 C ATOM 4 O MET A 1 -13.973 -35.288 20.602 1.00 42.54 O ATOM 5 CB MET A 1 -12.051 -36.907 22.726 1.00 43.69 C ATOM 6 CG MET A 1 -11.007 -36.408 21.733 1.00 45.55 C ATOM 7 SD MET A 1 -9.465 -35.911 22.529 1.00 49.72 S ATOM 8 CE MET A 1 -8.347 -36.162 21.131 1.00 47.23 C ATOM 9 N ARG A 2 -14.535 -34.993 22.792 1.00 41.46 N ATOM 10 CA ARG A 2 -15.266 -33.752 22.579 1.00 40.50 C ATOM 11 C ARG A 2 -14.280 -32.654 22.042 1.00 39.72 C ATOM 12 O ARG A 2 -13.119 -32.576 22.483 1.00 40.18 O ATOM 13 CB ARG A 2 -15.968 -33.374 23.890 1.00 40.47 C ATOM 14 CG ARG A 2 -17.031 -32.246 23.853 1.00 42.60 C ATOM 15 CD ARG A 2 -18.021 -32.408 25.039 1.00 47.23 C ATOM 16 NE ARG A 2 -18.831 -31.210 25.341 1.00 50.02 N ATOM 17 CZ ARG A 2 -19.849 -31.176 26.226 1.00 52.92 C ATOM 18 NH1 ARG A 2 -20.218 -32.267 26.925 1.00 51.79 N ATOM 19 NH2 ARG A 2 -20.516 -30.041 26.425 1.00 53.59 N ATOM 20 N GLU A 3 -14.702 -31.851 21.068 1.00 38.09 N ATOM 21 CA GLU A 3 -13.829 -30.759 20.626 1.00 37.90 C ATOM 22 C GLU A 3 -14.358 -29.470 21.133 1.00 36.27 C ATOM 23 O GLU A 3 -15.572 -29.333 21.309 1.00 37.80 O ATOM 24 CB GLU A 3 -13.720 -30.684 19.116 1.00 38.35 C ATOM 25 CG GLU A 3 -13.055 -31.884 18.575 1.00 40.40 C ATOM 26 CD GLU A 3 -12.970 -31.879 17.083 1.00 41.97 C ATOM 27 OE1 GLU A 3 -13.043 -30.788 16.465 1.00 45.39 O ATOM 28 OE2 GLU A 3 -12.804 -32.977 16.536 1.00 42.84 O ATOM 29 N TYR A 4 -13.460 -28.519 21.391 1.00 34.46 N ATOM 30 CA TYR A 4 -13.865 -27.306 22.060 1.00 31.25 C ATOM 31 C TYR A 4 -13.325 -26.210 21.186 1.00 30.02 C ATOM 32 O TYR A 4 -12.118 -26.157 20.937 1.00 29.41 O ATOM 33 CB TYR A 4 -13.275 -27.298 23.468 1.00 32.07 C ATOM 34 CG TYR A 4 -13.957 -28.315 24.378 1.00 34.85 C ATOM 35 CD1 TYR A 4 -13.445 -29.609 24.533 1.00 31.29 C ATOM 36 CD2 TYR A 4 -15.119 -27.980 25.066 1.00 36.57 C ATOM 37 CE1 TYR A 4 -14.074 -30.538 25.337 1.00 34.91 C ATOM 38 CE2 TYR A 4 -15.744 -28.895 25.879 1.00 38.10 C ATOM 39 CZ TYR A 4 -15.209 -30.176 26.014 1.00 35.84 C ATOM 40 OH TYR A 4 -15.837 -31.070 26.823 1.00 37.77 O ATOM 41 N LYS A 5 -14.216 -25.417 20.602 1.00 28.10 N ATOM 42 CA LYS A 5 -13.749 -24.340 19.764 1.00 25.28 C ATOM 43 C LYS A 5 -13.608 -23.082 20.686 1.00 22.81 C ATOM 44 O LYS A 5 -14.604 -22.498 21.139 1.00 21.97 O ATOM 45 CB LYS A 5 -14.728 -24.027 18.664 1.00 26.03 C ATOM 46 CG LYS A 5 -15.006 -25.236 17.674 1.00 33.71 C ATOM 47 CD LYS A 5 -15.272 -24.732 16.244 1.00 42.31 C ATOM 48 CE LYS A 5 -14.252 -23.664 15.847 1.00 46.67 C ATOM 49 NZ LYS A 5 -14.230 -23.469 14.399 1.00 49.36 N ATOM 50 N LEU A 6 -12.385 -22.696 20.996 1.00 21.30 N ATOM 51 CA LEU A 6 -12.184 -21.442 21.795 1.00 21.12 C ATOM 52 C LEU A 6 -11.671 -20.243 20.958 1.00 22.44 C ATOM 53 O LEU A 6 -10.963 -20.407 19.935 1.00 22.73 O ATOM 54 CB LEU A 6 -11.245 -21.726 22.956 1.00 19.96 C ATOM 55 CG LEU A 6 -11.562 -22.995 23.772 1.00 22.50 C ATOM 56 CD1 LEU A 6 -10.554 -23.179 24.937 1.00 24.22 C ATOM 57 CD2 LEU A 6 -13.027 -22.912 24.294 1.00 19.51 C ATOM 58 N VAL A 7 -12.032 -19.033 21.371 1.00 20.54 N ATOM 59 CA VAL A 7 -11.654 -17.830 20.635 1.00 20.69 C ATOM 60 C VAL A 7 -11.047 -16.807 21.594 1.00 19.51 C ATOM 61 O VAL A 7 -11.686 -16.430 22.599 1.00 19.00 O ATOM 62 CB VAL A 7 -12.842 -17.229 19.881 1.00 21.41 C ATOM 63 CG1 VAL A 7 -12.380 -15.988 19.106 1.00 22.84 C ATOM 64 CG2 VAL A 7 -13.440 -18.297 18.949 1.00 23.88 C ATOM 65 N VAL A 8 -9.821 -16.411 21.312 1.00 19.52 N ATOM 66 CA VAL A 8 -9.131 -15.411 22.111 1.00 18.70 C ATOM 67 C VAL A 8 -9.238 -13.966 21.495 1.00 20.04 C ATOM 68 O VAL A 8 -8.733 -13.698 20.411 1.00 20.13 O ATOM 69 CB VAL A 8 -7.588 -15.777 22.369 1.00 18.77 C ATOM 70 CG1 VAL A 8 -7.045 -14.803 23.439 1.00 16.54 C ATOM 71 CG2 VAL A 8 -7.469 -17.205 22.917 1.00 17.10 C ATOM 72 N LEU A 9 -9.884 -13.041 22.218 1.00 19.63 N ATOM 73 CA LEU A 9 -10.261 -11.734 21.722 1.00 19.70 C ATOM 74 C LEU A 9 -9.593 -10.595 22.564 1.00 19.86 C ATOM 75 O LEU A 9 -9.190 -10.864 23.666 1.00 19.90 O ATOM 76 CB LEU A 9 -11.826 -11.577 21.953 1.00 20.69 C ATOM 77 CG LEU A 9 -12.663 -12.448 21.018 1.00 22.82 C ATOM 78 CD1 LEU A 9 -14.111 -12.434 21.473 1.00 24.63 C ATOM 79 CD2 LEU A 9 -12.570 -11.887 19.596 1.00 26.98 C ATOM 80 N GLY A 10 -9.463 -9.393 22.011 1.00 19.68 N ATOM 81 CA GLY A 10 -8.896 -8.207 22.728 1.00 22.09 C ATOM 82 C GLY A 10 -8.026 -7.419 21.804 1.00 21.80 C ATOM 83 O GLY A 10 -7.710 -7.898 20.703 1.00 22.20 O ATOM 84 N SER A 11 -7.662 -6.199 22.226 1.00 21.49 N ATOM 85 CA SER A 11 -6.798 -5.318 21.470 1.00 23.15 C ATOM 86 C SER A 11 -5.391 -5.767 21.259 1.00 22.89 C ATOM 87 O SER A 11 -4.923 -6.752 21.842 1.00 20.76 O ATOM 88 CB SER A 11 -6.778 -3.922 22.142 1.00 24.25 C ATOM 89 OG SER A 11 -8.114 -3.524 22.077 1.00 28.15 O ATOM 90 N GLY A 12 -4.729 -5.043 20.374 1.00 23.18 N ATOM 91 CA GLY A 12 -3.342 -5.328 20.033 1.00 22.95 C ATOM 92 C GLY A 12 -2.401 -5.220 21.231 1.00 22.62 C ATOM 93 O GLY A 12 -2.513 -4.312 22.085 1.00 21.74 O ATOM 94 N GLY A 13 -1.498 -6.185 21.301 1.00 19.76 N ATOM 95 CA GLY A 13 -0.374 -6.150 22.185 1.00 19.93 C ATOM 96 C GLY A 13 -0.719 -6.630 23.598 1.00 18.56 C ATOM 97 O GLY A 13 0.083 -6.425 24.507 1.00 18.49 O ATOM 98 N VAL A 14 -1.924 -7.143 23.819 1.00 18.87 N ATOM 99 CA VAL A 14 -2.243 -7.471 25.221 1.00 19.36 C ATOM 100 C VAL A 14 -1.681 -8.856 25.689 1.00 20.03 C ATOM 101 O VAL A 14 -1.638 -9.138 26.920 1.00 18.24 O ATOM 102 CB VAL A 14 -3.761 -7.378 25.463 1.00 19.00 C ATOM 103 CG1 VAL A 14 -4.273 -5.965 25.143 1.00 17.98 C ATOM 104 CG2 VAL A 14 -4.572 -8.596 24.708 1.00 18.15 C ATOM 105 N GLY A 15 -1.246 -9.706 24.752 1.00 17.29 N ATOM 106 CA GLY A 15 -0.745 -11.055 25.125 1.00 18.23 C ATOM 107 C GLY A 15 -1.663 -12.165 24.664 1.00 18.29 C ATOM 108 O GLY A 15 -1.545 -13.305 25.179 1.00 18.70 O ATOM 109 N LYS A 16 -2.602 -11.893 23.737 1.00 16.92 N ATOM 110 CA LYS A 16 -3.431 -12.998 23.226 1.00 17.21 C ATOM 111 C LYS A 16 -2.548 -14.143 22.659 1.00 18.62 C ATOM 112 O LYS A 16 -2.724 -15.315 23.011 1.00 17.75 O ATOM 113 CB LYS A 16 -4.385 -12.468 22.149 1.00 16.48 C ATOM 114 CG LYS A 16 -5.385 -11.448 22.740 1.00 17.71 C ATOM 115 CD LYS A 16 -6.411 -11.042 21.602 1.00 20.20 C ATOM 116 CE LYS A 16 -5.768 -10.428 20.344 1.00 21.55 C ATOM 117 NZ LYS A 16 -4.839 -9.256 20.488 1.00 23.41 N ATOM 118 N SER A 17 -1.596 -13.780 21.797 1.00 15.87 N ATOM 119 CA SER A 17 -0.729 -14.849 21.212 1.00 17.78 C ATOM 120 C SER A 17 0.159 -15.444 22.274 1.00 18.10 C ATOM 121 O SER A 17 0.349 -16.672 22.302 1.00 16.13 O ATOM 122 CB SER A 17 0.116 -14.204 20.068 1.00 17.49 C ATOM 123 OG SER A 17 -0.857 -13.726 19.072 1.00 18.04 O ATOM 124 N ALA A 18 0.707 -14.597 23.182 1.00 18.05 N ATOM 125 CA ALA A 18 1.694 -15.128 24.175 1.00 18.09 C ATOM 126 C ALA A 18 0.975 -16.087 25.116 1.00 18.40 C ATOM 127 O ALA A 18 1.504 -17.144 25.442 1.00 18.74 O ATOM 128 CB ALA A 18 2.363 -13.953 25.034 1.00 17.36 C ATOM 129 N LEU A 19 -0.253 -15.752 25.520 1.00 18.12 N ATOM 130 CA LEU A 19 -1.033 -16.659 26.341 1.00 16.09 C ATOM 131 C LEU A 19 -1.329 -17.963 25.638 1.00 18.45 C ATOM 132 O LEU A 19 -1.165 -19.048 26.222 1.00 18.65 O ATOM 133 CB LEU A 19 -2.359 -16.022 26.733 1.00 15.85 C ATOM 134 CG LEU A 19 -2.193 -15.015 27.881 1.00 17.23 C ATOM 135 CD1 LEU A 19 -3.478 -14.152 27.986 1.00 17.52 C ATOM 136 CD2 LEU A 19 -1.798 -15.757 29.250 1.00 18.31 C ATOM 137 N THR A 20 -1.752 -17.873 24.392 1.00 16.33 N ATOM 138 CA THR A 20 -2.137 -19.069 23.619 1.00 18.41 C ATOM 139 C THR A 20 -0.900 -20.006 23.376 1.00 16.99 C ATOM 140 O THR A 20 -0.972 -21.243 23.619 1.00 16.25 O ATOM 141 CB THR A 20 -2.697 -18.637 22.242 1.00 18.73 C ATOM 142 OG1 THR A 20 -3.901 -17.948 22.520 1.00 19.72 O ATOM 143 CG2 THR A 20 -3.070 -19.936 21.387 1.00 18.81 C ATOM 144 N VAL A 21 0.217 -19.392 23.014 1.00 16.74 N ATOM 145 CA VAL A 21 1.478 -20.134 22.729 1.00 17.70 C ATOM 146 C VAL A 21 2.078 -20.725 24.047 1.00 19.39 C ATOM 147 O VAL A 21 2.581 -21.893 24.122 1.00 20.73 O ATOM 148 CB VAL A 21 2.521 -19.237 21.969 1.00 17.34 C ATOM 149 CG1 VAL A 21 3.984 -19.931 21.977 1.00 19.81 C ATOM 150 CG2 VAL A 21 2.022 -18.977 20.490 1.00 14.38 C ATOM 151 N GLN A 22 2.031 -19.950 25.108 1.00 19.78 N ATOM 152 CA GLN A 22 2.445 -20.502 26.412 1.00 20.51 C ATOM 153 C GLN A 22 1.627 -21.727 26.750 1.00 19.93 C ATOM 154 O GLN A 22 2.165 -22.806 27.167 1.00 21.19 O ATOM 155 CB GLN A 22 2.393 -19.406 27.518 1.00 19.18 C ATOM 156 CG GLN A 22 2.906 -19.878 28.914 1.00 20.48 C ATOM 157 CD GLN A 22 4.397 -20.233 28.916 1.00 22.76 C ATOM 158 OE1 GLN A 22 4.777 -21.393 28.782 1.00 19.96 O ATOM 159 NE2 GLN A 22 5.252 -19.211 29.000 1.00 21.28 N ATOM 160 N PHE A 23 0.320 -21.598 26.596 1.00 21.60 N ATOM 161 CA PHE A 23 -0.570 -22.729 26.838 1.00 21.11 C ATOM 162 C PHE A 23 -0.280 -23.957 25.984 1.00 22.67 C ATOM 163 O PHE A 23 -0.176 -25.114 26.517 1.00 19.69 O ATOM 164 CB PHE A 23 -2.011 -22.308 26.627 1.00 20.98 C ATOM 165 CG PHE A 23 -3.015 -23.396 26.878 1.00 25.25 C ATOM 166 CD1 PHE A 23 -3.125 -24.029 28.166 1.00 25.24 C ATOM 167 CD2 PHE A 23 -3.931 -23.732 25.873 1.00 24.70 C ATOM 168 CE1 PHE A 23 -4.086 -25.038 28.388 1.00 25.78 C ATOM 169 CE2 PHE A 23 -4.919 -24.770 26.076 1.00 27.01 C ATOM 170 CZ PHE A 23 -4.994 -25.413 27.329 1.00 22.00 C ATOM 171 N VAL A 24 -0.188 -23.750 24.688 1.00 20.32 N ATOM 172 CA VAL A 24 -0.135 -24.911 23.784 1.00 23.09 C ATOM 173 C VAL A 24 1.257 -25.450 23.668 1.00 22.02 C ATOM 174 O VAL A 24 1.407 -26.652 23.694 1.00 23.46 O ATOM 175 CB VAL A 24 -0.823 -24.766 22.385 1.00 22.75 C ATOM 176 CG1 VAL A 24 -2.157 -24.220 22.499 1.00 20.49 C ATOM 177 CG2 VAL A 24 -0.040 -23.892 21.472 1.00 33.36 C ATOM 178 N GLN A 25 2.273 -24.599 23.693 1.00 21.36 N ATOM 179 CA GLN A 25 3.645 -24.960 23.399 1.00 21.95 C ATOM 180 C GLN A 25 4.605 -24.839 24.593 1.00 24.53 C ATOM 181 O GLN A 25 5.747 -25.319 24.510 1.00 24.48 O ATOM 182 CB GLN A 25 4.125 -24.115 22.203 1.00 21.80 C ATOM 183 CG GLN A 25 5.553 -24.462 21.666 1.00 25.62 C ATOM 184 CD GLN A 25 5.667 -25.790 20.840 1.00 25.24 C ATOM 185 OE1 GLN A 25 6.760 -26.270 20.689 1.00 32.28 O ATOM 186 NE2 GLN A 25 4.559 -26.304 20.244 1.00 20.99 N ATOM 187 N GLY A 26 4.197 -24.125 25.663 1.00 24.64 N ATOM 188 CA GLY A 26 5.018 -24.059 26.849 1.00 25.52 C ATOM 189 C GLY A 26 6.214 -23.154 26.611 1.00 25.90 C ATOM 190 O GLY A 26 7.241 -23.377 27.230 1.00 25.74 O ATOM 191 N ILE A 27 6.148 -22.210 25.673 1.00 24.00 N ATOM 192 CA ILE A 27 7.235 -21.239 25.516 1.00 25.48 C ATOM 193 C ILE A 27 6.649 -19.854 25.606 1.00 26.17 C ATOM 194 O ILE A 27 5.435 -19.628 25.300 1.00 24.25 O ATOM 195 CB ILE A 27 8.088 -21.356 24.185 1.00 25.38 C ATOM 196 CG1 ILE A 27 7.276 -20.990 22.891 1.00 24.18 C ATOM 197 CG2 ILE A 27 8.766 -22.715 24.063 1.00 27.67 C ATOM 198 CD1 ILE A 27 8.132 -21.219 21.575 1.00 30.41 C ATOM 199 N PHE A 28 7.491 -18.909 25.990 1.00 26.58 N ATOM 200 CA PHE A 28 7.015 -17.534 26.047 1.00 27.78 C ATOM 201 C PHE A 28 7.497 -16.820 24.831 1.00 28.31 C ATOM 202 O PHE A 28 8.690 -16.849 24.525 1.00 31.31 O ATOM 203 CB PHE A 28 7.536 -16.827 27.308 1.00 27.03 C ATOM 204 CG PHE A 28 7.189 -15.356 27.377 1.00 28.04 C ATOM 205 CD1 PHE A 28 5.863 -14.935 27.401 1.00 24.35 C ATOM 206 CD2 PHE A 28 8.213 -14.380 27.490 1.00 29.62 C ATOM 207 CE1 PHE A 28 5.538 -13.571 27.461 1.00 23.46 C ATOM 208 CE2 PHE A 28 7.896 -12.990 27.602 1.00 26.63 C ATOM 209 CZ PHE A 28 6.539 -12.588 27.560 1.00 23.82 C ATOM 210 N VAL A 29 6.601 -16.151 24.157 1.00 29.20 N ATOM 211 CA VAL A 29 6.950 -15.323 23.010 1.00 32.13 C ATOM 212 C VAL A 29 7.375 -13.906 23.458 1.00 31.98 C ATOM 213 O VAL A 29 6.513 -13.121 23.925 1.00 30.49 O ATOM 214 CB VAL A 29 5.792 -15.230 22.009 1.00 31.49 C ATOM 215 CG1 VAL A 29 6.250 -14.426 20.742 1.00 33.96 C ATOM 216 CG2 VAL A 29 5.407 -16.640 21.527 1.00 32.54 C ATOM 217 N ASP A 30 8.668 -13.565 23.267 1.00 31.62 N ATOM 218 CA ASP A 30 9.171 -12.292 23.803 1.00 32.64 C ATOM 219 C ASP A 30 8.857 -11.063 22.990 1.00 32.27 C ATOM 220 O ASP A 30 8.614 -9.982 23.564 1.00 30.97 O ATOM 221 CB ASP A 30 10.690 -12.314 23.924 1.00 33.46 C ATOM 222 CG ASP A 30 11.169 -13.339 24.898 1.00 35.03 C ATOM 223 OD1 ASP A 30 11.199 -14.552 24.546 1.00 38.80 O ATOM 224 OD2 ASP A 30 11.523 -12.917 26.005 1.00 41.47 O ATOM 225 N GLU A 31 8.968 -11.190 21.672 1.00 33.51 N ATOM 226 CA GLU A 31 8.781 -10.031 20.807 1.00 35.07 C ATOM 227 C GLU A 31 7.385 -9.949 20.253 1.00 35.57 C ATOM 228 O GLU A 31 6.655 -10.968 20.169 1.00 35.97 O ATOM 229 CB GLU A 31 9.871 -9.931 19.729 1.00 36.87 C ATOM 230 CG GLU A 31 9.583 -10.473 18.392 1.00 42.47 C ATOM 231 CD GLU A 31 9.693 -12.005 18.290 1.00 51.22 C ATOM 232 OE1 GLU A 31 9.700 -12.694 19.370 1.00 53.86 O ATOM 233 OE2 GLU A 31 9.757 -12.501 17.111 1.00 49.49 O ATOM 234 N TYR A 32 6.972 -8.734 19.944 1.00 34.03 N ATOM 235 CA TYR A 32 5.628 -8.526 19.479 1.00 33.33 C ATOM 236 C TYR A 32 5.578 -8.741 17.931 1.00 32.52 C ATOM 237 O TYR A 32 6.224 -8.012 17.197 1.00 30.37 O ATOM 238 CB TYR A 32 5.154 -7.126 19.934 1.00 34.21 C ATOM 239 CG TYR A 32 3.788 -6.753 19.428 1.00 38.50 C ATOM 240 CD1 TYR A 32 2.771 -7.735 19.283 1.00 32.48 C ATOM 241 CD2 TYR A 32 3.490 -5.424 19.090 1.00 39.47 C ATOM 242 CE1 TYR A 32 1.499 -7.401 18.795 1.00 36.77 C ATOM 243 CE2 TYR A 32 2.201 -5.074 18.587 1.00 41.05 C ATOM 244 CZ TYR A 32 1.218 -6.076 18.459 1.00 39.76 C ATOM 245 OH TYR A 32 -0.034 -5.759 17.995 1.00 39.91 O ATOM 246 N ASP A 33 4.889 -9.806 17.476 1.00 30.15 N ATOM 247 CA ASP A 33 4.677 -10.058 16.039 1.00 28.78 C ATOM 248 C ASP A 33 3.134 -9.939 15.876 1.00 27.05 C ATOM 249 O ASP A 33 2.448 -10.838 16.226 1.00 23.54 O ATOM 250 CB ASP A 33 5.176 -11.512 15.775 1.00 29.47 C ATOM 251 CG ASP A 33 4.934 -12.006 14.372 1.00 33.92 C ATOM 252 OD1 ASP A 33 4.666 -11.152 13.495 1.00 35.78 O ATOM 253 OD2 ASP A 33 4.955 -13.266 14.154 1.00 39.37 O ATOM 254 N PRO A 34 2.610 -8.798 15.350 1.00 26.00 N ATOM 255 CA PRO A 34 1.168 -8.661 15.244 1.00 25.18 C ATOM 256 C PRO A 34 0.549 -9.819 14.445 1.00 23.23 C ATOM 257 O PRO A 34 0.979 -10.134 13.332 1.00 21.21 O ATOM 258 CB PRO A 34 0.967 -7.308 14.510 1.00 26.52 C ATOM 259 CG PRO A 34 2.281 -6.585 14.698 1.00 28.23 C ATOM 260 CD PRO A 34 3.318 -7.693 14.698 1.00 27.65 C ATOM 261 N THR A 35 -0.517 -10.383 14.982 1.00 21.12 N ATOM 262 CA THR A 35 -1.163 -11.543 14.387 1.00 19.32 C ATOM 263 C THR A 35 -2.003 -11.137 13.206 1.00 20.77 C ATOM 264 O THR A 35 -2.634 -10.074 13.232 1.00 20.27 O ATOM 265 CB THR A 35 -2.004 -12.204 15.460 1.00 18.12 C ATOM 266 OG1 THR A 35 -1.131 -12.650 16.465 1.00 18.10 O ATOM 267 CG2 THR A 35 -2.729 -13.464 14.900 1.00 18.59 C ATOM 268 N ILE A 36 -1.954 -11.911 12.117 1.00 17.48 N ATOM 269 CA ILE A 36 -2.916 -11.725 11.055 1.00 17.74 C ATOM 270 C ILE A 36 -3.999 -12.785 11.192 1.00 19.01 C ATOM 271 O ILE A 36 -5.205 -12.452 11.273 1.00 17.39 O ATOM 272 CB ILE A 36 -2.237 -11.721 9.625 1.00 18.53 C ATOM 273 CG1 ILE A 36 -1.100 -10.682 9.563 1.00 19.18 C ATOM 274 CG2 ILE A 36 -3.320 -11.542 8.425 1.00 16.66 C ATOM 275 CD1 ILE A 36 -0.093 -10.911 8.359 1.00 21.41 C ATOM 276 N GLU A 37 -3.635 -14.077 11.079 1.00 19.21 N ATOM 277 CA GLU A 37 -4.582 -15.185 11.393 1.00 20.06 C ATOM 278 C GLU A 37 -3.713 -16.238 12.008 1.00 18.91 C ATOM 279 O GLU A 37 -2.595 -16.492 11.475 1.00 19.70 O ATOM 280 CB GLU A 37 -5.196 -15.910 10.132 1.00 24.59 C ATOM 281 CG GLU A 37 -6.361 -15.255 9.446 1.00 30.37 C ATOM 282 CD GLU A 37 -6.788 -15.889 8.084 1.00 32.53 C ATOM 283 OE1 GLU A 37 -6.718 -17.156 7.817 1.00 31.47 O ATOM 284 OE2 GLU A 37 -7.110 -15.029 7.201 1.00 31.37 O ATOM 285 N ASP A 38 -4.177 -16.912 13.061 1.00 17.36 N ATOM 286 CA ASP A 38 -3.395 -18.086 13.558 1.00 15.70 C ATOM 287 C ASP A 38 -4.366 -18.976 14.304 1.00 16.69 C ATOM 288 O ASP A 38 -5.137 -18.454 15.171 1.00 18.11 O ATOM 289 CB ASP A 38 -2.367 -17.649 14.570 1.00 14.83 C ATOM 290 CG ASP A 38 -0.989 -17.317 13.916 1.00 21.60 C ATOM 291 OD1 ASP A 38 -0.341 -18.231 13.306 1.00 22.21 O ATOM 292 OD2 ASP A 38 -0.555 -16.193 13.959 1.00 21.52 O ATOM 293 N SER A 39 -4.338 -20.279 14.033 1.00 18.08 N ATOM 294 CA SER A 39 -5.103 -21.205 14.874 1.00 16.53 C ATOM 295 C SER A 39 -4.125 -22.214 15.446 1.00 16.62 C ATOM 296 O SER A 39 -3.098 -22.564 14.828 1.00 16.78 O ATOM 297 CB SER A 39 -6.258 -21.893 14.161 1.00 17.37 C ATOM 298 OG SER A 39 -5.682 -22.747 13.181 1.00 19.09 O ATOM 299 N TYR A 40 -4.536 -22.755 16.591 1.00 14.20 N ATOM 300 CA TYR A 40 -3.727 -23.766 17.286 1.00 17.91 C ATOM 301 C TYR A 40 -4.640 -24.893 17.729 1.00 19.03 C ATOM 302 O TYR A 40 -5.859 -24.659 17.935 1.00 22.00 O ATOM 303 CB TYR A 40 -3.123 -23.073 18.543 1.00 14.88 C ATOM 304 CG TYR A 40 -2.158 -21.955 18.220 1.00 15.14 C ATOM 305 CD1 TYR A 40 -2.631 -20.639 18.033 1.00 15.62 C ATOM 306 CD2 TYR A 40 -0.767 -22.218 18.056 1.00 18.01 C ATOM 307 CE1 TYR A 40 -1.782 -19.585 17.714 1.00 18.18 C ATOM 308 CE2 TYR A 40 0.083 -21.160 17.732 1.00 23.69 C ATOM 309 CZ TYR A 40 -0.389 -19.896 17.553 1.00 21.32 C ATOM 310 OH TYR A 40 0.504 -18.872 17.213 1.00 21.57 O ATOM 311 N ARG A 41 -4.122 -26.102 17.972 1.00 20.18 N ATOM 312 CA ARG A 41 -4.952 -27.130 18.570 1.00 24.15 C ATOM 313 C ARG A 41 -4.248 -27.819 19.736 1.00 27.79 C ATOM 314 O ARG A 41 -3.073 -27.954 19.690 1.00 29.33 O ATOM 315 CB ARG A 41 -5.345 -28.199 17.519 1.00 24.08 C ATOM 316 CG ARG A 41 -6.480 -27.695 16.611 1.00 22.62 C ATOM 317 CD ARG A 41 -7.362 -28.798 16.105 1.00 25.05 C ATOM 318 NE ARG A 41 -6.638 -29.969 15.602 1.00 27.41 N ATOM 319 CZ ARG A 41 -7.207 -31.162 15.424 1.00 26.20 C ATOM 320 NH1 ARG A 41 -8.482 -31.280 15.713 1.00 27.95 N ATOM 321 NH2 ARG A 41 -6.542 -32.227 14.982 1.00 24.43 N ATOM 322 N LYS A 42 -4.964 -28.268 20.756 1.00 30.64 N ATOM 323 CA LYS A 42 -4.302 -28.990 21.852 1.00 35.53 C ATOM 324 C LYS A 42 -5.273 -29.984 22.460 1.00 36.21 C ATOM 325 O LYS A 42 -6.407 -29.636 22.801 1.00 35.76 O ATOM 326 CB LYS A 42 -3.807 -27.994 22.972 1.00 34.17 C ATOM 327 CG LYS A 42 -2.916 -28.678 24.070 1.00 38.44 C ATOM 328 CD LYS A 42 -2.648 -27.755 25.281 1.00 40.54 C ATOM 329 CE LYS A 42 -1.520 -28.299 26.208 1.00 44.93 C ATOM 330 NZ LYS A 42 -0.280 -28.740 25.419 1.00 45.82 N ATOM 331 N GLN A 43 -4.840 -31.214 22.632 1.00 40.20 N ATOM 332 CA GLN A 43 -5.690 -32.119 23.431 1.00 42.11 C ATOM 333 C GLN A 43 -5.383 -32.002 24.911 1.00 41.46 C ATOM 334 O GLN A 43 -4.228 -32.024 25.319 1.00 41.21 O ATOM 335 CB GLN A 43 -5.601 -33.547 22.951 1.00 43.39 C ATOM 336 CG GLN A 43 -6.648 -34.370 23.595 1.00 47.28 C ATOM 337 CD GLN A 43 -6.129 -35.735 23.902 1.00 54.60 C ATOM 338 OE1 GLN A 43 -5.739 -36.475 22.994 1.00 58.10 O ATOM 339 NE2 GLN A 43 -6.097 -36.085 25.189 1.00 55.30 N ATOM 340 N VAL A 44 -6.427 -31.796 25.705 1.00 42.73 N ATOM 341 CA VAL A 44 -6.267 -31.568 27.139 1.00 44.27 C ATOM 342 C VAL A 44 -7.171 -32.391 28.021 1.00 46.16 C ATOM 343 O VAL A 44 -8.330 -32.704 27.693 1.00 46.18 O ATOM 344 CB VAL A 44 -6.482 -30.050 27.578 1.00 44.21 C ATOM 345 CG1 VAL A 44 -5.432 -29.152 26.964 1.00 43.44 C ATOM 346 CG2 VAL A 44 -7.922 -29.574 27.314 1.00 40.58 C ATOM 347 N GLU A 45 -6.597 -32.655 29.191 1.00 49.00 N ATOM 348 CA GLU A 45 -7.148 -33.363 30.312 1.00 50.82 C ATOM 349 C GLU A 45 -7.877 -32.316 31.167 1.00 51.01 C ATOM 350 O GLU A 45 -7.234 -31.506 31.848 1.00 51.09 O ATOM 351 CB GLU A 45 -5.944 -33.906 31.085 1.00 51.94 C ATOM 352 CG GLU A 45 -4.779 -32.814 31.121 1.00 54.66 C ATOM 353 CD GLU A 45 -3.509 -33.221 30.340 1.00 58.69 C ATOM 354 OE1 GLU A 45 -3.503 -34.274 29.647 1.00 58.73 O ATOM 355 OE2 GLU A 45 -2.505 -32.478 30.441 1.00 60.65 O ATOM 356 N VAL A 46 -9.211 -32.329 31.128 1.00 51.23 N ATOM 357 CA VAL A 46 -9.992 -31.341 31.872 1.00 51.29 C ATOM 358 C VAL A 46 -10.749 -32.017 32.998 1.00 51.36 C ATOM 359 O VAL A 46 -11.518 -32.969 32.768 1.00 51.12 O ATOM 360 CB VAL A 46 -10.994 -30.574 30.994 1.00 51.74 C ATOM 361 CG1 VAL A 46 -12.190 -31.491 30.619 1.00 50.63 C ATOM 362 CG2 VAL A 46 -11.461 -29.310 31.715 1.00 51.02 C ATOM 363 N ASP A 47 -10.569 -31.476 34.201 1.00 50.91 N ATOM 364 CA ASP A 47 -10.943 -32.178 35.379 1.00 50.77 C ATOM 365 C ASP A 47 -10.201 -33.519 35.166 1.00 50.45 C ATOM 366 O ASP A 47 -8.978 -33.571 35.363 1.00 50.46 O ATOM 367 CB ASP A 47 -12.487 -32.273 35.477 1.00 51.07 C ATOM 368 CG ASP A 47 -13.139 -30.947 35.955 1.00 51.44 C ATOM 369 OD1 ASP A 47 -12.879 -30.541 37.101 1.00 52.12 O ATOM 370 OD2 ASP A 47 -13.933 -30.323 35.217 1.00 51.48 O ATOM 371 N CYS A 48 -10.894 -34.554 34.689 1.00 49.25 N ATOM 372 CA CYS A 48 -10.242 -35.823 34.358 1.00 49.21 C ATOM 373 C CYS A 48 -10.692 -36.345 33.011 1.00 48.23 C ATOM 374 O CYS A 48 -11.073 -37.501 32.905 1.00 48.56 O ATOM 375 CB CYS A 48 -10.587 -36.900 35.414 1.00 49.14 C ATOM 376 SG CYS A 48 -10.081 -36.482 37.080 1.00 51.58 S ATOM 377 N GLN A 49 -10.673 -35.522 31.977 1.00 47.64 N ATOM 378 CA GLN A 49 -11.409 -35.908 30.778 1.00 47.01 C ATOM 379 C GLN A 49 -10.857 -35.341 29.480 1.00 46.25 C ATOM 380 O GLN A 49 -10.339 -34.207 29.467 1.00 45.93 O ATOM 381 CB GLN A 49 -12.887 -35.543 30.956 1.00 47.29 C ATOM 382 CG GLN A 49 -13.774 -35.841 29.767 1.00 48.15 C ATOM 383 CD GLN A 49 -15.211 -35.971 30.181 1.00 49.86 C ATOM 384 OE1 GLN A 49 -15.624 -36.995 30.737 1.00 47.64 O ATOM 385 NE2 GLN A 49 -15.994 -34.933 29.907 1.00 49.86 N ATOM 386 N GLN A 50 -11.002 -36.120 28.401 1.00 45.00 N ATOM 387 CA GLN A 50 -10.391 -35.800 27.108 0.50 43.96 C ATOM 388 C GLN A 50 -11.151 -34.821 26.273 1.00 43.43 C ATOM 389 O GLN A 50 -12.306 -35.071 25.892 1.00 43.72 O ATOM 390 CB GLN A 50 -10.104 -37.042 26.278 1.00 44.10 C ATOM 391 CG GLN A 50 -9.060 -37.894 26.939 1.00 44.87 C ATOM 392 CD GLN A 50 -8.026 -37.045 27.638 1.00 43.75 C ATOM 393 OE1 GLN A 50 -7.422 -36.172 27.029 1.00 40.37 O ATOM 394 NE2 GLN A 50 -7.827 -37.291 28.933 1.00 44.80 N ATOM 395 N CYS A 51 -10.427 -33.744 25.942 1.00 41.77 N ATOM 396 CA CYS A 51 -10.918 -32.565 25.289 1.00 40.17 C ATOM 397 C CYS A 51 -9.960 -32.135 24.161 1.00 38.43 C ATOM 398 O CYS A 51 -8.760 -31.956 24.380 1.00 39.66 O ATOM 399 CB CYS A 51 -10.945 -31.445 26.318 1.00 40.47 C ATOM 400 SG CYS A 51 -12.161 -31.700 27.624 1.00 43.30 S ATOM 401 N MET A 52 -10.479 -31.957 22.964 1.00 35.25 N ATOM 402 CA MET A 52 -9.648 -31.420 21.884 1.00 32.90 C ATOM 403 C MET A 52 -9.900 -29.922 21.819 1.00 30.70 C ATOM 404 O MET A 52 -11.028 -29.514 21.559 1.00 30.69 O ATOM 405 CB MET A 52 -10.046 -32.132 20.566 1.00 32.92 C ATOM 406 CG MET A 52 -9.442 -31.546 19.297 1.00 32.88 C ATOM 407 SD MET A 52 -7.679 -31.411 19.542 1.00 35.12 S ATOM 408 CE MET A 52 -7.132 -33.176 19.640 1.00 35.04 C ATOM 409 N LEU A 53 -8.879 -29.085 22.025 1.00 28.17 N ATOM 410 CA LEU A 53 -9.134 -27.634 21.989 1.00 27.42 C ATOM 411 C LEU A 53 -8.600 -27.073 20.694 1.00 27.67 C ATOM 412 O LEU A 53 -7.476 -27.348 20.337 1.00 26.87 O ATOM 413 CB LEU A 53 -8.413 -26.936 23.143 1.00 26.20 C ATOM 414 CG LEU A 53 -9.195 -26.824 24.465 1.00 26.73 C ATOM 415 CD1 LEU A 53 -9.851 -28.116 24.806 1.00 26.62 C ATOM 416 CD2 LEU A 53 -8.295 -26.372 25.576 1.00 32.12 C ATOM 417 N GLU A 54 -9.437 -26.355 19.967 1.00 27.51 N ATOM 418 CA GLU A 54 -8.970 -25.565 18.887 1.00 28.32 C ATOM 419 C GLU A 54 -9.050 -24.133 19.380 1.00 26.09 C ATOM 420 O GLU A 54 -10.138 -23.666 19.854 1.00 25.76 O ATOM 421 CB GLU A 54 -9.909 -25.647 17.720 1.00 29.65 C ATOM 422 CG GLU A 54 -9.310 -24.885 16.564 1.00 38.92 C ATOM 423 CD GLU A 54 -10.278 -24.659 15.436 1.00 49.32 C ATOM 424 OE1 GLU A 54 -11.492 -24.998 15.603 1.00 52.46 O ATOM 425 OE2 GLU A 54 -9.792 -24.151 14.391 1.00 49.74 O ATOM 426 N ILE A 55 -7.945 -23.428 19.278 1.00 23.35 N ATOM 427 CA ILE A 55 -7.925 -22.023 19.770 1.00 20.32 C ATOM 428 C ILE A 55 -7.690 -21.085 18.608 1.00 20.26 C ATOM 429 O ILE A 55 -6.654 -21.182 17.912 1.00 18.49 O ATOM 430 CB ILE A 55 -6.809 -21.880 20.772 1.00 22.13 C ATOM 431 CG1 ILE A 55 -6.990 -22.999 21.882 1.00 22.22 C ATOM 432 CG2 ILE A 55 -6.720 -20.346 21.292 1.00 19.63 C ATOM 433 CD1 ILE A 55 -5.913 -23.037 22.939 1.00 24.86 C ATOM 434 N LEU A 56 -8.574 -20.141 18.403 1.00 17.72 N ATOM 435 CA ALEU A 56 -8.360 -19.149 17.356 0.50 19.61 C ATOM 436 CA BLEU A 56 -8.392 -19.133 17.359 0.50 19.18 C ATOM 437 C LEU A 56 -7.829 -17.876 18.013 1.00 20.23 C ATOM 438 O LEU A 56 -8.469 -17.276 18.872 1.00 19.64 O ATOM 439 CB ALEU A 56 -9.627 -18.884 16.568 0.50 20.42 C ATOM 440 CB BLEU A 56 -9.719 -18.827 16.700 0.50 20.20 C ATOM 441 CG ALEU A 56 -10.101 -19.897 15.507 0.50 24.68 C ATOM 442 CG BLEU A 56 -9.861 -17.962 15.477 0.50 21.29 C ATOM 443 CD1ALEU A 56 -9.482 -21.343 15.442 0.50 24.03 C ATOM 444 CD1BLEU A 56 -8.682 -18.016 14.544 0.50 26.48 C ATOM 445 CD2ALEU A 56 -11.593 -19.881 15.486 0.50 25.72 C ATOM 446 CD2BLEU A 56 -11.068 -18.661 14.775 0.50 24.42 C ATOM 447 N ASP A 57 -6.612 -17.490 17.617 1.00 20.10 N ATOM 448 CA ASP A 57 -5.961 -16.332 18.072 1.00 23.18 C ATOM 449 C ASP A 57 -6.155 -15.178 17.077 1.00 26.48 C ATOM 450 O ASP A 57 -5.546 -15.166 15.965 1.00 30.17 O ATOM 451 CB ASP A 57 -4.464 -16.687 18.094 1.00 24.56 C ATOM 452 CG ASP A 57 -3.592 -15.575 18.645 1.00 24.31 C ATOM 453 OD1 ASP A 57 -4.139 -14.661 19.354 1.00 26.17 O ATOM 454 OD2 ASP A 57 -2.351 -15.657 18.331 1.00 25.12 O ATOM 455 N THR A 58 -6.843 -14.134 17.482 1.00 24.14 N ATOM 456 CA THR A 58 -7.336 -13.170 16.500 1.00 24.73 C ATOM 457 C THR A 58 -6.416 -11.936 16.281 1.00 25.98 C ATOM 458 O THR A 58 -5.545 -11.612 17.106 1.00 23.63 O ATOM 459 CB THR A 58 -8.734 -12.773 16.967 1.00 25.65 C ATOM 460 OG1 THR A 58 -8.640 -12.048 18.242 1.00 23.07 O ATOM 461 CG2 THR A 58 -9.671 -14.060 17.116 1.00 23.92 C ATOM 462 N ALA A 59 -6.615 -11.209 15.190 1.00 25.60 N ATOM 463 CA ALA A 59 -5.899 -9.950 14.945 1.00 28.57 C ATOM 464 C ALA A 59 -6.781 -8.821 15.524 1.00 31.86 C ATOM 465 O ALA A 59 -8.035 -8.904 15.490 1.00 33.96 O ATOM 466 CB ALA A 59 -5.803 -9.670 13.462 1.00 29.22 C ATOM 467 N GLY A 60 -6.173 -7.718 15.836 1.00 35.92 N ATOM 468 CA GLY A 60 -6.987 -6.422 16.015 1.00 40.12 C ATOM 469 C GLY A 60 -6.901 -5.589 14.741 1.00 43.27 C ATOM 470 O GLY A 60 -6.040 -4.655 14.624 1.00 44.94 O ATOM 471 N THR A 61 -7.725 -5.950 13.747 1.00 41.75 N ATOM 472 CA THR A 61 -7.727 -5.241 12.475 1.00 41.97 C ATOM 473 C THR A 61 -9.154 -5.038 11.972 1.00 40.76 C ATOM 474 O THR A 61 -10.120 -5.647 12.502 1.00 40.38 O ATOM 475 CB THR A 61 -7.025 -6.047 11.383 1.00 42.06 C ATOM 476 OG1 THR A 61 -7.617 -7.364 11.294 1.00 41.07 O ATOM 477 CG2 THR A 61 -5.529 -6.155 11.670 1.00 45.23 C ATOM 478 N GLU A 62 -9.281 -4.235 10.917 1.00 39.55 N ATOM 479 CA GLU A 62 -10.589 -4.047 10.251 1.00 37.92 C ATOM 480 C GLU A 62 -11.125 -5.386 9.722 1.00 35.67 C ATOM 481 O GLU A 62 -12.328 -5.646 9.803 1.00 33.95 O ATOM 482 CB GLU A 62 -10.481 -3.058 9.093 1.00 38.15 C ATOM 483 CG GLU A 62 -9.805 -1.830 9.561 1.00 41.63 C ATOM 484 CD GLU A 62 -10.418 -0.607 8.996 1.00 46.29 C ATOM 485 OE1 GLU A 62 -10.687 -0.616 7.778 1.00 48.93 O ATOM 486 OE2 GLU A 62 -10.622 0.367 9.762 1.00 50.00 O ATOM 487 N GLN A 63 -10.219 -6.216 9.204 1.00 33.36 N ATOM 488 CA GLN A 63 -10.601 -7.496 8.621 1.00 32.53 C ATOM 489 C GLN A 63 -11.227 -8.416 9.716 1.00 33.24 C ATOM 490 O GLN A 63 -12.245 -9.107 9.492 1.00 33.01 O ATOM 491 CB GLN A 63 -9.405 -8.164 7.925 1.00 31.10 C ATOM 492 CG GLN A 63 -9.651 -9.660 7.444 1.00 31.25 C ATOM 493 CD GLN A 63 -10.638 -9.769 6.251 1.00 30.97 C ATOM 494 OE1 GLN A 63 -10.874 -8.802 5.563 1.00 31.19 O ATOM 495 NE2 GLN A 63 -11.175 -10.953 6.002 1.00 29.74 N ATOM 496 N PHE A 64 -10.639 -8.401 10.913 1.00 32.39 N ATOM 497 CA PHE A 64 -11.178 -9.226 11.966 1.00 32.13 C ATOM 498 C PHE A 64 -12.556 -8.691 12.364 1.00 31.63 C ATOM 499 O PHE A 64 -13.532 -9.455 12.515 1.00 31.87 O ATOM 500 CB PHE A 64 -10.240 -9.340 13.187 1.00 32.96 C ATOM 501 CG PHE A 64 -10.830 -10.217 14.236 1.00 32.97 C ATOM 502 CD1 PHE A 64 -11.098 -11.563 13.926 1.00 33.94 C ATOM 503 CD2 PHE A 64 -11.272 -9.680 15.440 1.00 35.62 C ATOM 504 CE1 PHE A 64 -11.753 -12.368 14.825 1.00 36.73 C ATOM 505 CE2 PHE A 64 -11.903 -10.474 16.371 1.00 37.17 C ATOM 506 CZ PHE A 64 -12.150 -11.834 16.067 1.00 36.54 C ATOM 507 N THR A 65 -12.650 -7.360 12.460 1.00 30.30 N ATOM 508 CA THR A 65 -13.909 -6.692 12.730 1.00 29.99 C ATOM 509 C THR A 65 -14.979 -7.139 11.718 1.00 28.03 C ATOM 510 O THR A 65 -16.132 -7.401 12.098 1.00 26.10 O ATOM 511 CB THR A 65 -13.700 -5.158 12.724 1.00 30.11 C ATOM 512 OG1 THR A 65 -12.951 -4.836 13.908 1.00 33.91 O ATOM 513 CG2 THR A 65 -15.025 -4.390 12.697 1.00 31.71 C ATOM 514 N ALA A 66 -14.596 -7.228 10.446 1.00 26.80 N ATOM 515 CA ALA A 66 -15.574 -7.581 9.382 1.00 26.48 C ATOM 516 C ALA A 66 -15.931 -9.084 9.433 1.00 26.16 C ATOM 517 O ALA A 66 -16.934 -9.506 8.937 1.00 24.74 O ATOM 518 CB ALA A 66 -15.004 -7.253 8.047 1.00 27.10 C ATOM 519 N MET A 67 -15.071 -9.895 10.030 1.00 25.25 N ATOM 520 CA MET A 67 -15.353 -11.321 10.212 1.00 27.30 C ATOM 521 C MET A 67 -15.869 -11.765 11.641 1.00 28.56 C ATOM 522 O MET A 67 -16.275 -12.967 11.806 1.00 27.62 O ATOM 523 CB MET A 67 -14.124 -12.094 9.890 1.00 25.54 C ATOM 524 CG MET A 67 -13.747 -12.054 8.422 1.00 29.46 C ATOM 525 SD MET A 67 -14.971 -12.915 7.306 1.00 25.47 S ATOM 526 CE MET A 67 -14.373 -14.610 7.475 1.00 20.78 C ATOM 527 N ARG A 68 -15.921 -10.799 12.599 1.00 26.31 N ATOM 528 CA ARG A 68 -15.889 -11.134 14.008 1.00 26.68 C ATOM 529 C ARG A 68 -17.092 -11.964 14.398 1.00 27.38 C ATOM 530 O ARG A 68 -16.962 -13.026 15.060 1.00 27.78 O ATOM 531 CB ARG A 68 -15.882 -9.843 14.857 1.00 29.28 C ATOM 532 CG ARG A 68 -15.317 -10.190 16.231 1.00 32.89 C ATOM 533 CD ARG A 68 -15.077 -9.020 17.230 1.00 36.35 C ATOM 534 NE ARG A 68 -15.961 -7.879 17.071 1.00 40.55 N ATOM 535 CZ ARG A 68 -15.530 -6.656 16.755 1.00 47.21 C ATOM 536 NH1 ARG A 68 -14.215 -6.413 16.578 1.00 48.46 N ATOM 537 NH2 ARG A 68 -16.407 -5.670 16.638 1.00 45.30 N ATOM 538 N ASP A 69 -18.264 -11.579 13.889 1.00 26.42 N ATOM 539 CA ASP A 69 -19.457 -12.295 14.321 1.00 28.57 C ATOM 540 C ASP A 69 -19.342 -13.728 13.864 1.00 26.63 C ATOM 541 O ASP A 69 -19.916 -14.629 14.466 1.00 26.66 O ATOM 542 CB ASP A 69 -20.764 -11.623 13.849 1.00 29.92 C ATOM 543 CG ASP A 69 -20.503 -10.503 12.834 1.00 36.45 C ATOM 544 OD1 ASP A 69 -19.896 -10.846 11.779 1.00 32.92 O ATOM 545 OD2 ASP A 69 -20.853 -9.302 13.133 1.00 38.05 O ATOM 546 N LEU A 70 -18.548 -13.947 12.832 1.00 27.27 N ATOM 547 CA LEU A 70 -18.394 -15.326 12.271 1.00 26.36 C ATOM 548 C LEU A 70 -17.565 -16.197 13.183 1.00 25.77 C ATOM 549 O LEU A 70 -17.924 -17.384 13.415 1.00 26.15 O ATOM 550 CB LEU A 70 -17.820 -15.339 10.859 1.00 26.39 C ATOM 551 CG LEU A 70 -18.834 -15.376 9.698 1.00 24.73 C ATOM 552 CD1 LEU A 70 -19.829 -14.457 9.955 1.00 32.84 C ATOM 553 CD2 LEU A 70 -18.132 -15.009 8.385 1.00 25.71 C ATOM 554 N TYR A 71 -16.502 -15.596 13.721 1.00 25.64 N ATOM 555 CA TYR A 71 -15.710 -16.194 14.753 1.00 26.63 C ATOM 556 C TYR A 71 -16.540 -16.403 15.998 1.00 26.91 C ATOM 557 O TYR A 71 -16.456 -17.466 16.590 1.00 29.07 O ATOM 558 CB TYR A 71 -14.484 -15.344 15.082 1.00 27.44 C ATOM 559 CG TYR A 71 -13.426 -15.330 14.023 1.00 34.17 C ATOM 560 CD1 TYR A 71 -13.632 -14.747 12.803 1.00 41.75 C ATOM 561 CD2 TYR A 71 -12.165 -15.874 14.277 1.00 43.66 C ATOM 562 CE1 TYR A 71 -12.621 -14.728 11.840 1.00 44.89 C ATOM 563 CE2 TYR A 71 -11.160 -15.838 13.323 1.00 49.62 C ATOM 564 CZ TYR A 71 -11.407 -15.269 12.099 1.00 49.45 C ATOM 565 OH TYR A 71 -10.397 -15.248 11.144 1.00 55.45 O ATOM 566 N MET A 72 -17.397 -15.452 16.356 1.00 27.95 N ATOM 567 CA MET A 72 -18.303 -15.607 17.506 1.00 30.31 C ATOM 568 C MET A 72 -19.392 -16.668 17.320 1.00 30.76 C ATOM 569 O MET A 72 -19.672 -17.503 18.216 1.00 31.27 O ATOM 570 CB MET A 72 -18.951 -14.275 17.885 1.00 29.95 C ATOM 571 CG MET A 72 -17.898 -13.261 18.407 1.00 29.11 C ATOM 572 SD MET A 72 -18.527 -11.605 18.578 1.00 28.77 S ATOM 573 CE MET A 72 -17.118 -10.814 19.505 1.00 30.30 C ATOM 574 N LYS A 73 -19.987 -16.671 16.143 1.00 31.35 N ATOM 575 CA LYS A 73 -21.000 -17.669 15.809 1.00 29.48 C ATOM 576 C LYS A 73 -20.411 -19.077 15.955 1.00 29.32 C ATOM 577 O LYS A 73 -21.019 -19.936 16.554 1.00 29.34 O ATOM 578 CB LYS A 73 -21.531 -17.415 14.403 1.00 31.33 C ATOM 579 CG LYS A 73 -22.687 -18.383 13.978 1.00 33.92 C ATOM 580 CD LYS A 73 -23.116 -18.239 12.511 1.00 39.42 C ATOM 581 CE LYS A 73 -21.922 -18.453 11.537 1.00 43.81 C ATOM 582 NZ LYS A 73 -22.384 -18.841 10.145 1.00 48.01 N ATOM 583 N ASN A 74 -19.188 -19.291 15.478 1.00 28.66 N ATOM 584 CA ASN A 74 -18.576 -20.584 15.507 1.00 28.40 C ATOM 585 C ASN A 74 -17.903 -20.988 16.810 1.00 29.25 C ATOM 586 O ASN A 74 -17.758 -22.173 17.097 1.00 29.95 O ATOM 587 CB ASN A 74 -17.613 -20.616 14.330 1.00 29.03 C ATOM 588 CG ASN A 74 -18.387 -20.529 12.975 1.00 34.93 C ATOM 589 OD1 ASN A 74 -17.940 -19.932 11.985 1.00 43.88 O ATOM 590 ND2 ASN A 74 -19.558 -21.116 12.960 1.00 36.95 N ATOM 591 N GLY A 75 -17.451 -20.000 17.592 1.00 26.49 N ATOM 592 CA GLY A 75 -16.761 -20.284 18.806 1.00 25.23 C ATOM 593 C GLY A 75 -17.717 -20.689 19.879 1.00 24.73 C ATOM 594 O GLY A 75 -18.845 -20.268 19.899 1.00 25.73 O ATOM 595 N GLN A 76 -17.276 -21.587 20.740 1.00 24.41 N ATOM 596 CA GLN A 76 -18.067 -22.029 21.858 1.00 24.56 C ATOM 597 C GLN A 76 -17.749 -21.307 23.193 1.00 24.16 C ATOM 598 O GLN A 76 -18.569 -21.330 24.105 1.00 24.22 O ATOM 599 CB GLN A 76 -17.840 -23.507 22.038 1.00 26.52 C ATOM 600 CG GLN A 76 -18.247 -24.395 20.822 1.00 25.69 C ATOM 601 CD GLN A 76 -17.864 -25.791 21.113 1.00 29.93 C ATOM 602 OE1 GLN A 76 -16.784 -26.219 20.744 1.00 34.92 O ATOM 603 NE2 GLN A 76 -18.736 -26.530 21.817 1.00 31.36 N ATOM 604 N GLY A 77 -16.566 -20.712 23.277 1.00 22.52 N ATOM 605 CA GLY A 77 -16.033 -20.110 24.516 1.00 21.16 C ATOM 606 C GLY A 77 -15.075 -18.996 24.134 1.00 22.08 C ATOM 607 O GLY A 77 -14.353 -19.059 23.084 1.00 17.50 O ATOM 608 N PHE A 78 -15.069 -17.934 24.963 1.00 21.01 N ATOM 609 CA PHE A 78 -14.337 -16.714 24.618 1.00 19.70 C ATOM 610 C PHE A 78 -13.475 -16.205 25.759 1.00 20.39 C ATOM 611 O PHE A 78 -13.934 -16.076 26.897 1.00 19.81 O ATOM 612 CB PHE A 78 -15.258 -15.618 24.086 1.00 19.67 C ATOM 613 CG PHE A 78 -16.152 -16.089 22.977 1.00 19.56 C ATOM 614 CD1 PHE A 78 -17.303 -16.799 23.238 1.00 21.39 C ATOM 615 CD2 PHE A 78 -15.789 -15.904 21.643 1.00 21.34 C ATOM 616 CE1 PHE A 78 -18.093 -17.248 22.225 1.00 24.31 C ATOM 617 CE2 PHE A 78 -16.542 -16.452 20.624 1.00 22.81 C ATOM 618 CZ PHE A 78 -17.703 -17.070 20.902 1.00 24.82 C ATOM 619 N ALA A 79 -12.205 -15.971 25.464 1.00 18.61 N ATOM 620 CA ALA A 79 -11.341 -15.291 26.462 1.00 19.33 C ATOM 621 C ALA A 79 -11.262 -13.838 25.998 1.00 20.37 C ATOM 622 O ALA A 79 -10.849 -13.570 24.847 1.00 19.45 O ATOM 623 CB ALA A 79 -9.959 -15.877 26.479 1.00 19.95 C ATOM 624 N LEU A 80 -11.696 -12.893 26.843 1.00 17.81 N ATOM 625 CA LEU A 80 -11.602 -11.494 26.453 1.00 19.32 C ATOM 626 C LEU A 80 -10.390 -10.912 27.248 1.00 18.21 C ATOM 627 O LEU A 80 -10.477 -10.756 28.459 1.00 18.16 O ATOM 628 CB LEU A 80 -12.900 -10.750 26.873 1.00 20.60 C ATOM 629 CG LEU A 80 -14.064 -10.837 25.846 1.00 24.20 C ATOM 630 CD1 LEU A 80 -14.476 -12.253 25.413 1.00 23.84 C ATOM 631 CD2 LEU A 80 -15.280 -10.072 26.379 1.00 24.27 C ATOM 632 N VAL A 81 -9.319 -10.554 26.545 1.00 19.04 N ATOM 633 CA VAL A 81 -8.023 -10.279 27.205 1.00 18.14 C ATOM 634 C VAL A 81 -7.732 -8.774 27.089 1.00 16.04 C ATOM 635 O VAL A 81 -7.887 -8.163 26.007 1.00 17.61 O ATOM 636 CB VAL A 81 -6.861 -11.039 26.520 1.00 18.72 C ATOM 637 CG1 VAL A 81 -5.538 -10.840 27.361 1.00 16.09 C ATOM 638 CG2 VAL A 81 -7.236 -12.551 26.405 1.00 17.40 C ATOM 639 N TYR A 82 -7.258 -8.195 28.204 1.00 17.68 N ATOM 640 CA TYR A 82 -6.710 -6.865 28.161 1.00 16.05 C ATOM 641 C TYR A 82 -5.377 -6.948 28.866 1.00 16.84 C ATOM 642 O TYR A 82 -5.034 -7.964 29.465 1.00 18.06 O ATOM 643 CB TYR A 82 -7.631 -5.814 28.911 1.00 15.12 C ATOM 644 CG TYR A 82 -7.864 -6.082 30.368 1.00 17.43 C ATOM 645 CD1 TYR A 82 -8.887 -6.947 30.771 1.00 18.17 C ATOM 646 CD2 TYR A 82 -7.136 -5.419 31.328 1.00 16.57 C ATOM 647 CE1 TYR A 82 -9.115 -7.223 32.135 1.00 18.86 C ATOM 648 CE2 TYR A 82 -7.333 -5.650 32.677 1.00 16.53 C ATOM 649 CZ TYR A 82 -8.375 -6.528 33.083 1.00 20.60 C ATOM 650 OH TYR A 82 -8.552 -6.781 34.428 1.00 19.38 O ATOM 651 N SER A 83 -4.617 -5.850 28.863 1.00 16.92 N ATOM 652 CA SER A 83 -3.357 -5.841 29.586 1.00 16.89 C ATOM 653 C SER A 83 -3.520 -4.851 30.749 1.00 17.66 C ATOM 654 O SER A 83 -4.084 -3.740 30.582 1.00 17.16 O ATOM 655 CB SER A 83 -2.259 -5.336 28.657 1.00 16.54 C ATOM 656 OG SER A 83 -1.136 -4.921 29.489 1.00 18.38 O ATOM 657 N ILE A 84 -3.105 -5.284 31.958 1.00 17.36 N ATOM 658 CA ILE A 84 -3.137 -4.381 33.130 1.00 17.43 C ATOM 659 C ILE A 84 -2.222 -3.181 32.944 1.00 17.16 C ATOM 660 O ILE A 84 -2.308 -2.250 33.709 1.00 18.67 O ATOM 661 CB ILE A 84 -2.860 -5.106 34.488 1.00 17.93 C ATOM 662 CG1 ILE A 84 -1.382 -5.562 34.594 1.00 15.71 C ATOM 663 CG2 ILE A 84 -3.835 -6.283 34.612 1.00 14.30 C ATOM 664 CD1 ILE A 84 -0.905 -5.766 36.083 1.00 19.88 C ATOM 665 N THR A 85 -1.365 -3.193 31.906 1.00 16.41 N ATOM 666 CA THR A 85 -0.440 -2.024 31.703 1.00 17.00 C ATOM 667 C THR A 85 -0.958 -1.093 30.627 1.00 17.41 C ATOM 668 O THR A 85 -0.285 -0.197 30.264 1.00 20.08 O ATOM 669 CB THR A 85 0.989 -2.494 31.298 1.00 18.50 C ATOM 670 OG1 THR A 85 0.921 -3.114 30.010 1.00 18.54 O ATOM 671 CG2 THR A 85 1.522 -3.517 32.316 1.00 16.04 C ATOM 672 N ALA A 86 -2.169 -1.313 30.104 1.00 17.73 N ATOM 673 CA ALA A 86 -2.669 -0.486 28.952 1.00 18.35 C ATOM 674 C ALA A 86 -4.165 -0.258 29.068 1.00 17.92 C ATOM 675 O ALA A 86 -4.964 -1.052 28.629 1.00 17.65 O ATOM 676 CB ALA A 86 -2.366 -1.165 27.538 1.00 19.85 C ATOM 677 N GLN A 87 -4.521 0.896 29.616 1.00 18.91 N ATOM 678 CA GLN A 87 -5.939 1.287 29.849 1.00 20.22 C ATOM 679 C GLN A 87 -6.845 1.155 28.633 1.00 19.76 C ATOM 680 O GLN A 87 -7.958 0.704 28.758 1.00 18.54 O ATOM 681 CB GLN A 87 -6.009 2.721 30.359 1.00 19.54 C ATOM 682 CG GLN A 87 -5.205 2.853 31.662 1.00 17.71 C ATOM 683 CD GLN A 87 -5.404 4.195 32.298 1.00 16.65 C ATOM 684 OE1 GLN A 87 -5.713 5.177 31.594 1.00 21.25 O ATOM 685 NE2 GLN A 87 -5.113 4.308 33.582 1.00 15.40 N ATOM 686 N SER A 88 -6.389 1.578 27.443 1.00 22.57 N ATOM 687 CA SER A 88 -7.330 1.596 26.324 1.00 22.44 C ATOM 688 C SER A 88 -7.742 0.175 26.029 1.00 22.57 C ATOM 689 O SER A 88 -8.869 -0.084 25.528 1.00 20.83 O ATOM 690 CB SER A 88 -6.705 2.247 25.069 1.00 23.57 C ATOM 691 OG SER A 88 -5.531 1.485 24.718 1.00 27.28 O ATOM 692 N THR A 89 -6.880 -0.797 26.346 1.00 20.73 N ATOM 693 CA THR A 89 -7.211 -2.181 25.910 1.00 20.13 C ATOM 694 C THR A 89 -8.268 -2.730 26.843 1.00 20.44 C ATOM 695 O THR A 89 -9.087 -3.591 26.482 1.00 21.34 O ATOM 696 CB THR A 89 -5.972 -3.170 25.960 1.00 19.12 C ATOM 697 OG1 THR A 89 -5.527 -3.357 27.309 1.00 18.87 O ATOM 698 CG2 THR A 89 -4.734 -2.585 25.108 1.00 21.99 C ATOM 699 N PHE A 90 -8.321 -2.209 28.051 1.00 19.99 N ATOM 700 CA PHE A 90 -9.421 -2.587 28.977 1.00 20.19 C ATOM 701 C PHE A 90 -10.750 -1.916 28.578 1.00 22.09 C ATOM 702 O PHE A 90 -11.817 -2.593 28.557 1.00 24.01 O ATOM 703 CB PHE A 90 -9.036 -2.123 30.367 1.00 19.73 C ATOM 704 CG PHE A 90 -10.100 -2.361 31.419 1.00 18.37 C ATOM 705 CD1 PHE A 90 -10.270 -3.628 31.963 1.00 20.84 C ATOM 706 CD2 PHE A 90 -10.833 -1.272 31.946 1.00 20.47 C ATOM 707 CE1 PHE A 90 -11.231 -3.873 32.960 1.00 20.39 C ATOM 708 CE2 PHE A 90 -11.805 -1.493 32.931 1.00 20.08 C ATOM 709 CZ PHE A 90 -11.987 -2.760 33.475 1.00 18.02 C ATOM 710 N ASN A 91 -10.686 -0.643 28.171 1.00 23.45 N ATOM 711 CA ASN A 91 -11.915 0.117 27.778 1.00 25.46 C ATOM 712 C ASN A 91 -12.488 -0.501 26.485 1.00 27.04 C ATOM 713 O ASN A 91 -13.705 -0.514 26.276 1.00 27.09 O ATOM 714 CB ASN A 91 -11.590 1.587 27.594 1.00 24.33 C ATOM 715 CG ASN A 91 -11.134 2.221 28.893 1.00 28.85 C ATOM 716 OD1 ASN A 91 -11.569 1.800 29.991 1.00 28.28 O ATOM 717 ND2 ASN A 91 -10.272 3.229 28.790 1.00 27.36 N ATOM 718 N ASP A 92 -11.615 -1.091 25.665 1.00 28.15 N ATOM 719 CA ASP A 92 -12.041 -1.678 24.368 1.00 29.18 C ATOM 720 C ASP A 92 -12.930 -2.920 24.497 1.00 29.14 C ATOM 721 O ASP A 92 -13.618 -3.265 23.532 1.00 29.75 O ATOM 722 CB ASP A 92 -10.835 -2.088 23.499 1.00 28.41 C ATOM 723 CG ASP A 92 -10.089 -0.918 22.911 1.00 31.03 C ATOM 724 OD1 ASP A 92 -10.640 0.190 22.984 1.00 31.54 O ATOM 725 OD2 ASP A 92 -8.911 -1.059 22.434 1.00 30.42 O ATOM 726 N LEU A 93 -12.940 -3.597 25.645 1.00 28.64 N ATOM 727 CA LEU A 93 -13.635 -4.886 25.748 1.00 29.63 C ATOM 728 C LEU A 93 -15.147 -4.876 25.835 1.00 30.66 C ATOM 729 O LEU A 93 -15.760 -5.828 25.387 1.00 30.45 O ATOM 730 CB LEU A 93 -13.132 -5.713 26.921 1.00 29.04 C ATOM 731 CG LEU A 93 -11.637 -6.088 26.765 1.00 28.08 C ATOM 732 CD1 LEU A 93 -11.266 -6.974 27.884 1.00 27.35 C ATOM 733 CD2 LEU A 93 -11.315 -6.773 25.405 1.00 29.93 C ATOM 734 N GLN A 94 -15.720 -3.859 26.487 1.00 30.23 N ATOM 735 CA GLN A 94 -17.200 -3.758 26.631 1.00 31.27 C ATOM 736 C GLN A 94 -17.999 -4.135 25.364 1.00 31.45 C ATOM 737 O GLN A 94 -18.870 -5.008 25.404 1.00 30.93 O ATOM 738 CB GLN A 94 -17.611 -2.383 27.143 1.00 31.89 C ATOM 739 CG GLN A 94 -19.172 -2.238 27.315 1.00 33.88 C ATOM 740 CD GLN A 94 -19.806 -3.152 28.427 1.00 41.25 C ATOM 741 OE1 GLN A 94 -19.137 -3.563 29.393 1.00 40.87 O ATOM 742 NE2 GLN A 94 -21.120 -3.442 28.285 1.00 39.54 N ATOM 743 N ASP A 95 -17.673 -3.469 24.264 1.00 30.70 N ATOM 744 CA ASP A 95 -18.198 -3.757 22.974 1.00 31.56 C ATOM 745 C ASP A 95 -18.184 -5.276 22.647 1.00 30.72 C ATOM 746 O ASP A 95 -19.165 -5.840 22.139 1.00 29.01 O ATOM 747 CB ASP A 95 -17.339 -2.978 21.967 1.00 32.67 C ATOM 748 CG ASP A 95 -17.767 -1.551 21.827 1.00 36.62 C ATOM 749 OD1 ASP A 95 -18.440 -0.995 22.741 1.00 41.50 O ATOM 750 OD2 ASP A 95 -17.454 -0.964 20.776 1.00 42.53 O ATOM 751 N LEU A 96 -17.060 -5.939 22.958 1.00 29.07 N ATOM 752 CA LEU A 96 -16.871 -7.320 22.600 1.00 28.72 C ATOM 753 C LEU A 96 -17.838 -8.239 23.367 1.00 28.13 C ATOM 754 O LEU A 96 -18.466 -9.138 22.795 1.00 27.12 O ATOM 755 CB LEU A 96 -15.427 -7.723 22.889 1.00 28.92 C ATOM 756 CG LEU A 96 -14.388 -7.938 21.790 1.00 35.93 C ATOM 757 CD1 LEU A 96 -14.746 -7.476 20.358 1.00 37.75 C ATOM 758 CD2 LEU A 96 -12.882 -7.572 22.210 1.00 34.47 C ATOM 759 N ARG A 97 -17.989 -8.006 24.650 1.00 26.79 N ATOM 760 CA ARG A 97 -18.980 -8.715 25.440 1.00 27.45 C ATOM 761 C ARG A 97 -20.415 -8.666 24.866 1.00 27.06 C ATOM 762 O ARG A 97 -21.131 -9.676 24.870 1.00 26.76 O ATOM 763 CB ARG A 97 -19.044 -8.057 26.809 1.00 28.33 C ATOM 764 CG ARG A 97 -20.264 -8.413 27.565 1.00 30.50 C ATOM 765 CD ARG A 97 -20.188 -9.781 28.159 1.00 31.24 C ATOM 766 NE ARG A 97 -21.336 -9.906 29.073 1.00 33.66 N ATOM 767 CZ ARG A 97 -21.667 -11.035 29.696 1.00 34.98 C ATOM 768 NH1 ARG A 97 -20.933 -12.133 29.492 1.00 38.93 N ATOM 769 NH2 ARG A 97 -22.730 -11.082 30.486 1.00 36.47 N ATOM 770 N GLU A 98 -20.861 -7.471 24.484 1.00 27.22 N ATOM 771 CA GLU A 98 -22.305 -7.255 24.167 1.00 27.67 C ATOM 772 C GLU A 98 -22.552 -7.955 22.813 1.00 27.30 C ATOM 773 O GLU A 98 -23.564 -8.628 22.627 1.00 25.40 O ATOM 774 CB GLU A 98 -22.647 -5.761 24.053 1.00 27.95 C ATOM 775 CG GLU A 98 -22.357 -4.907 25.315 1.00 35.04 C ATOM 776 CD GLU A 98 -22.341 -3.381 25.040 1.00 41.86 C ATOM 777 OE1 GLU A 98 -22.192 -2.972 23.861 1.00 43.70 O ATOM 778 OE2 GLU A 98 -22.431 -2.588 26.019 1.00 42.64 O ATOM 779 N GLN A 99 -21.577 -7.798 21.913 1.00 26.67 N ATOM 780 CA GLN A 99 -21.601 -8.481 20.609 1.00 27.95 C ATOM 781 C GLN A 99 -21.702 -10.026 20.719 1.00 26.78 C ATOM 782 O GLN A 99 -22.523 -10.673 20.026 1.00 26.52 O ATOM 783 CB GLN A 99 -20.388 -8.075 19.748 1.00 26.64 C ATOM 784 CG GLN A 99 -20.704 -8.213 18.238 1.00 31.34 C ATOM 785 CD GLN A 99 -19.463 -8.136 17.301 1.00 35.71 C ATOM 786 OE1 GLN A 99 -18.342 -7.803 17.729 1.00 38.86 O ATOM 787 NE2 GLN A 99 -19.671 -8.463 16.019 1.00 37.45 N ATOM 788 N ILE A 100 -20.825 -10.639 21.517 1.00 26.13 N ATOM 789 CA ILE A 100 -20.963 -12.102 21.767 1.00 25.71 C ATOM 790 C ILE A 100 -22.387 -12.535 22.188 1.00 26.15 C ATOM 791 O ILE A 100 -22.954 -13.479 21.611 1.00 25.09 O ATOM 792 CB ILE A 100 -19.914 -12.648 22.743 1.00 25.51 C ATOM 793 CG1 ILE A 100 -18.507 -12.528 22.134 1.00 23.54 C ATOM 794 CG2 ILE A 100 -20.222 -14.141 23.117 1.00 24.22 C ATOM 795 CD1 ILE A 100 -17.381 -12.542 23.199 1.00 20.93 C ATOM 796 N LEU A 101 -22.967 -11.844 23.166 1.00 27.61 N ATOM 797 CA LEU A 101 -24.335 -12.124 23.581 1.00 28.54 C ATOM 798 C LEU A 101 -25.355 -11.859 22.472 1.00 29.14 C ATOM 799 O LEU A 101 -26.300 -12.606 22.365 1.00 27.27 O ATOM 800 CB LEU A 101 -24.738 -11.348 24.856 1.00 29.54 C ATOM 801 CG LEU A 101 -23.774 -11.342 26.047 1.00 32.34 C ATOM 802 CD1 LEU A 101 -24.440 -10.800 27.350 1.00 32.47 C ATOM 803 CD2 LEU A 101 -23.136 -12.705 26.295 1.00 36.29 C ATOM 804 N ARG A 102 -25.151 -10.799 21.676 1.00 29.18 N ATOM 805 CA ARG A 102 -25.958 -10.512 20.466 1.00 28.74 C ATOM 806 C ARG A 102 -25.963 -11.697 19.450 1.00 28.65 C ATOM 807 O ARG A 102 -27.037 -12.215 19.003 1.00 23.90 O ATOM 808 CB ARG A 102 -25.316 -9.278 19.819 1.00 30.27 C ATOM 809 CG ARG A 102 -26.253 -8.252 19.178 1.00 35.76 C ATOM 810 CD ARG A 102 -25.424 -7.119 18.504 1.00 41.17 C ATOM 811 NE ARG A 102 -24.267 -7.613 17.733 1.00 43.47 N ATOM 812 CZ ARG A 102 -24.335 -8.338 16.609 1.00 45.20 C ATOM 813 NH1 ARG A 102 -25.512 -8.689 16.092 1.00 44.59 N ATOM 814 NH2 ARG A 102 -23.220 -8.729 15.981 1.00 44.91 N ATOM 815 N VAL A 103 -24.745 -12.139 19.105 1.00 26.16 N ATOM 816 CA VAL A 103 -24.534 -13.195 18.138 1.00 28.52 C ATOM 817 C VAL A 103 -25.028 -14.527 18.686 1.00 29.43 C ATOM 818 O VAL A 103 -25.553 -15.320 17.956 1.00 29.56 O ATOM 819 CB VAL A 103 -23.029 -13.324 17.694 1.00 28.05 C ATOM 820 CG1 VAL A 103 -22.821 -14.586 16.903 1.00 29.40 C ATOM 821 CG2 VAL A 103 -22.592 -12.097 16.891 1.00 28.35 C ATOM 822 N LYS A 104 -24.902 -14.786 19.971 1.00 30.81 N ATOM 823 CA LYS A 104 -25.262 -16.128 20.444 1.00 32.36 C ATOM 824 C LYS A 104 -26.705 -16.240 20.935 1.00 33.07 C ATOM 825 O LYS A 104 -27.117 -17.319 21.330 1.00 32.31 O ATOM 826 CB LYS A 104 -24.280 -16.617 21.502 1.00 33.10 C ATOM 827 CG LYS A 104 -22.836 -16.545 20.977 1.00 32.54 C ATOM 828 CD LYS A 104 -22.573 -17.723 20.162 1.00 34.50 C ATOM 829 CE LYS A 104 -21.561 -18.627 20.790 1.00 30.90 C ATOM 830 NZ LYS A 104 -21.271 -19.475 19.671 1.00 26.09 N ATOM 831 N ASP A 105 -27.446 -15.126 20.902 1.00 33.69 N ATOM 832 CA ASP A 105 -28.888 -15.121 21.266 1.00 35.37 C ATOM 833 C ASP A 105 -29.045 -15.634 22.683 1.00 35.57 C ATOM 834 O ASP A 105 -29.966 -16.419 22.968 1.00 34.45 O ATOM 835 CB ASP A 105 -29.752 -15.994 20.323 1.00 35.72 C ATOM 836 CG ASP A 105 -29.766 -15.502 18.888 1.00 38.46 C ATOM 837 OD1 ASP A 105 -29.681 -14.244 18.651 1.00 41.07 O ATOM 838 OD2 ASP A 105 -29.903 -16.440 17.994 1.00 44.85 O ATOM 839 N THR A 106 -28.115 -15.240 23.550 1.00 34.78 N ATOM 840 CA THR A 106 -28.191 -15.597 24.968 1.00 36.08 C ATOM 841 C THR A 106 -27.159 -14.867 25.821 1.00 36.05 C ATOM 842 O THR A 106 -26.151 -14.344 25.332 1.00 35.72 O ATOM 843 CB THR A 106 -28.166 -17.168 25.273 1.00 35.39 C ATOM 844 OG1 THR A 106 -28.017 -17.380 26.692 1.00 36.82 O ATOM 845 CG2 THR A 106 -27.044 -17.868 24.546 1.00 36.98 C ATOM 846 N GLU A 107 -27.442 -14.823 27.112 1.00 36.51 N ATOM 847 CA GLU A 107 -26.493 -14.242 28.061 1.00 36.49 C ATOM 848 C GLU A 107 -25.637 -15.333 28.692 1.00 35.17 C ATOM 849 O GLU A 107 -24.646 -15.032 29.328 1.00 36.13 O ATOM 850 CB GLU A 107 -27.232 -13.397 29.139 1.00 36.74 C ATOM 851 CG GLU A 107 -28.594 -13.915 29.532 1.00 39.59 C ATOM 852 CD GLU A 107 -29.314 -13.002 30.521 1.00 43.88 C ATOM 853 OE1 GLU A 107 -28.767 -11.940 30.850 1.00 48.13 O ATOM 854 OE2 GLU A 107 -30.428 -13.337 30.986 1.00 46.69 O ATOM 855 N ASP A 108 -26.029 -16.594 28.506 1.00 35.03 N ATOM 856 CA AASP A 108 -25.234 -17.684 29.064 0.50 34.31 C ATOM 857 CA BASP A 108 -25.340 -17.782 29.015 0.50 34.05 C ATOM 858 C ASP A 108 -24.233 -18.243 28.044 1.00 33.68 C ATOM 859 O ASP A 108 -24.321 -19.354 27.519 1.00 33.46 O ATOM 860 CB AASP A 108 -26.081 -18.716 29.817 0.50 35.53 C ATOM 861 CB BASP A 108 -26.384 -18.910 29.208 0.50 34.90 C ATOM 862 CG AASP A 108 -26.313 -18.304 31.273 0.50 36.33 C ATOM 863 CG BASP A 108 -25.841 -20.113 29.980 0.50 35.21 C ATOM 864 OD1AASP A 108 -25.394 -17.686 31.859 0.50 38.86 O ATOM 865 OD1BASP A 108 -26.078 -21.261 29.542 0.50 35.79 O ATOM 866 OD2AASP A 108 -27.397 -18.574 31.830 0.50 37.47 O ATOM 867 OD2BASP A 108 -25.176 -19.909 31.019 0.50 36.89 O ATOM 868 N VAL A 109 -23.239 -17.396 27.781 1.00 30.76 N ATOM 869 CA VAL A 109 -22.125 -17.763 26.870 1.00 27.73 C ATOM 870 C VAL A 109 -20.849 -18.001 27.684 1.00 27.37 C ATOM 871 O VAL A 109 -20.438 -17.130 28.450 1.00 24.99 O ATOM 872 CB VAL A 109 -21.803 -16.672 25.813 1.00 27.01 C ATOM 873 CG1 VAL A 109 -20.684 -17.206 24.862 1.00 25.19 C ATOM 874 CG2 VAL A 109 -23.066 -16.295 25.013 1.00 25.73 C ATOM 875 N PRO A 110 -20.224 -19.181 27.511 1.00 27.21 N ATOM 876 CA PRO A 110 -18.903 -19.419 28.110 1.00 26.51 C ATOM 877 C PRO A 110 -17.945 -18.270 27.764 1.00 26.21 C ATOM 878 O PRO A 110 -17.696 -17.943 26.597 1.00 26.82 O ATOM 879 CB PRO A 110 -18.475 -20.742 27.534 1.00 25.10 C ATOM 880 CG PRO A 110 -19.797 -21.458 27.169 1.00 25.23 C ATOM 881 CD PRO A 110 -20.824 -20.394 26.930 1.00 26.46 C ATOM 882 N MET A 111 -17.498 -17.599 28.824 1.00 25.80 N ATOM 883 CA MET A 111 -16.647 -16.442 28.686 1.00 25.96 C ATOM 884 C MET A 111 -15.758 -16.301 29.931 1.00 25.01 C ATOM 885 O MET A 111 -16.186 -16.666 31.048 1.00 23.65 O ATOM 886 CB MET A 111 -17.510 -15.194 28.605 1.00 26.95 C ATOM 887 CG MET A 111 -16.793 -13.996 28.024 1.00 32.20 C ATOM 888 SD MET A 111 -17.985 -12.697 27.695 1.00 34.66 S ATOM 889 CE MET A 111 -19.097 -13.558 26.548 1.00 32.76 C ATOM 890 N ILE A 112 -14.563 -15.717 29.742 1.00 22.53 N ATOM 891 CA ILE A 112 -13.689 -15.327 30.864 1.00 21.39 C ATOM 892 C ILE A 112 -13.002 -14.002 30.509 1.00 22.42 C ATOM 893 O ILE A 112 -12.555 -13.769 29.343 1.00 21.60 O ATOM 894 CB ILE A 112 -12.727 -16.454 31.259 1.00 21.89 C ATOM 895 CG1 ILE A 112 -11.905 -16.133 32.537 1.00 20.75 C ATOM 896 CG2 ILE A 112 -11.730 -16.816 30.038 1.00 21.61 C ATOM 897 CD1 ILE A 112 -11.312 -17.440 33.148 1.00 24.54 C ATOM 898 N LEU A 113 -12.975 -13.103 31.512 1.00 20.55 N ATOM 899 CA LEU A 113 -12.331 -11.798 31.402 1.00 20.17 C ATOM 900 C LEU A 113 -10.933 -11.991 31.971 1.00 20.15 C ATOM 901 O LEU A 113 -10.770 -12.543 33.087 1.00 20.08 O ATOM 902 CB LEU A 113 -13.128 -10.727 32.177 1.00 18.98 C ATOM 903 CG LEU A 113 -12.483 -9.313 32.167 1.00 20.78 C ATOM 904 CD1 LEU A 113 -12.324 -8.670 30.772 1.00 17.58 C ATOM 905 CD2 LEU A 113 -13.236 -8.344 33.114 1.00 20.85 C ATOM 906 N VAL A 114 -9.895 -11.560 31.220 1.00 18.97 N ATOM 907 CA VAL A 114 -8.524 -11.923 31.576 1.00 18.84 C ATOM 908 C VAL A 114 -7.738 -10.613 31.552 1.00 17.61 C ATOM 909 O VAL A 114 -7.541 -9.997 30.480 1.00 19.02 O ATOM 910 CB VAL A 114 -7.828 -12.928 30.548 1.00 19.51 C ATOM 911 CG1 VAL A 114 -6.407 -13.271 30.989 1.00 21.28 C ATOM 912 CG2 VAL A 114 -8.613 -14.306 30.473 1.00 22.08 C ATOM 913 N GLY A 115 -7.245 -10.241 32.725 1.00 18.38 N ATOM 914 CA GLY A 115 -6.282 -9.190 32.842 1.00 16.08 C ATOM 915 C GLY A 115 -4.864 -9.758 32.808 1.00 18.94 C ATOM 916 O GLY A 115 -4.373 -10.294 33.802 1.00 20.24 O ATOM 917 N ASN A 116 -4.172 -9.585 31.678 1.00 17.98 N ATOM 918 CA ASN A 116 -2.927 -10.256 31.461 1.00 16.60 C ATOM 919 C ASN A 116 -1.792 -9.339 31.829 1.00 19.19 C ATOM 920 O ASN A 116 -2.002 -8.117 31.986 1.00 17.47 O ATOM 921 CB ASN A 116 -2.808 -10.766 30.008 1.00 17.62 C ATOM 922 CG ASN A 116 -1.537 -11.556 29.801 1.00 17.67 C ATOM 923 OD1 ASN A 116 -1.226 -12.470 30.621 1.00 17.76 O ATOM 924 ND2 ASN A 116 -0.774 -11.234 28.748 1.00 16.73 N ATOM 925 N LYS A 117 -0.570 -9.892 31.926 1.00 17.00 N ATOM 926 CA LYS A 117 0.641 -9.108 32.304 1.00 16.94 C ATOM 927 C LYS A 117 0.717 -8.804 33.792 1.00 17.32 C ATOM 928 O LYS A 117 1.312 -7.820 34.206 1.00 17.60 O ATOM 929 CB LYS A 117 0.913 -7.834 31.435 1.00 16.87 C ATOM 930 CG LYS A 117 0.711 -8.119 29.947 1.00 16.11 C ATOM 931 CD LYS A 117 1.475 -7.041 29.111 1.00 17.61 C ATOM 932 CE LYS A 117 1.251 -7.326 27.609 1.00 18.84 C ATOM 933 NZ LYS A 117 1.928 -6.290 26.780 1.00 20.21 N ATOM 934 N CYS A 118 0.174 -9.692 34.615 1.00 18.95 N ATOM 935 CA CYS A 118 0.157 -9.461 36.061 1.00 20.60 C ATOM 936 C CYS A 118 1.528 -9.521 36.672 1.00 21.96 C ATOM 937 O CYS A 118 1.732 -8.994 37.788 1.00 22.36 O ATOM 938 CB CYS A 118 -0.905 -10.284 36.757 1.00 22.18 C ATOM 939 SG CYS A 118 -0.429 -12.025 36.946 1.00 25.10 S ATOM 940 N ASP A 119 2.548 -9.955 35.924 1.00 20.14 N ATOM 941 CA ASP A 119 3.922 -9.821 36.452 1.00 21.39 C ATOM 942 C ASP A 119 4.452 -8.361 36.434 1.00 21.66 C ATOM 943 O ASP A 119 5.486 -8.024 37.049 1.00 21.06 O ATOM 944 CB ASP A 119 4.833 -10.742 35.643 1.00 21.42 C ATOM 945 CG ASP A 119 4.801 -10.431 34.159 1.00 21.24 C ATOM 946 OD1 ASP A 119 3.723 -10.611 33.521 1.00 20.56 O ATOM 947 OD2 ASP A 119 5.828 -9.970 33.622 1.00 21.96 O ATOM 948 N LEU A 120 3.817 -7.501 35.633 1.00 19.64 N ATOM 949 CA LEU A 120 4.283 -6.120 35.506 1.00 19.83 C ATOM 950 C LEU A 120 3.553 -5.213 36.527 1.00 20.09 C ATOM 951 O LEU A 120 2.984 -4.174 36.172 1.00 20.85 O ATOM 952 CB LEU A 120 4.048 -5.630 34.059 1.00 17.44 C ATOM 953 CG LEU A 120 4.847 -6.411 32.987 1.00 17.35 C ATOM 954 CD1 LEU A 120 4.661 -5.664 31.665 1.00 20.38 C ATOM 955 CD2 LEU A 120 6.337 -6.427 33.313 1.00 15.20 C ATOM 956 N GLU A 121 3.577 -5.630 37.784 1.00 21.45 N ATOM 957 CA GLU A 121 2.833 -4.948 38.810 1.00 23.36 C ATOM 958 C GLU A 121 3.257 -3.455 38.873 1.00 23.05 C ATOM 959 O GLU A 121 2.406 -2.580 39.077 1.00 21.59 O ATOM 960 CB GLU A 121 3.033 -5.646 40.167 1.00 24.05 C ATOM 961 CG GLU A 121 2.453 -4.819 41.357 1.00 23.98 C ATOM 962 CD GLU A 121 0.940 -4.543 41.173 1.00 27.41 C ATOM 963 OE1 GLU A 121 0.291 -5.391 40.569 1.00 27.37 O ATOM 964 OE2 GLU A 121 0.431 -3.483 41.604 1.00 27.57 O ATOM 965 N ASP A 122 4.554 -3.163 38.685 1.00 22.31 N ATOM 966 CA ASP A 122 5.005 -1.738 38.814 1.00 22.63 C ATOM 967 C ASP A 122 4.435 -0.871 37.727 1.00 21.26 C ATOM 968 O ASP A 122 4.396 0.323 37.907 1.00 22.35 O ATOM 969 CB ASP A 122 6.509 -1.590 38.736 1.00 23.76 C ATOM 970 CG ASP A 122 7.206 -2.058 40.014 1.00 29.77 C ATOM 971 OD1 ASP A 122 6.549 -2.131 41.080 1.00 33.08 O ATOM 972 OD2 ASP A 122 8.428 -2.370 39.947 1.00 38.66 O ATOM 973 N GLU A 123 3.991 -1.484 36.625 1.00 18.54 N ATOM 974 CA AGLU A 123 3.494 -0.773 35.428 0.50 18.86 C ATOM 975 CA BGLU A 123 3.470 -0.764 35.423 0.50 19.15 C ATOM 976 C GLU A 123 1.954 -0.815 35.350 1.00 18.05 C ATOM 977 O GLU A 123 1.352 -0.367 34.376 1.00 18.83 O ATOM 978 CB AGLU A 123 4.137 -1.364 34.160 0.50 18.87 C ATOM 979 CB BGLU A 123 4.008 -1.363 34.122 0.50 19.10 C ATOM 980 CG AGLU A 123 5.698 -1.163 34.095 0.50 21.22 C ATOM 981 CG BGLU A 123 5.448 -0.992 33.812 0.50 23.44 C ATOM 982 CD AGLU A 123 6.483 -2.116 34.995 0.50 24.02 C ATOM 983 CD BGLU A 123 6.179 -2.156 33.245 0.50 26.31 C ATOM 984 OE1AGLU A 123 6.075 -3.282 35.216 0.50 23.83 O ATOM 985 OE1BGLU A 123 5.975 -2.440 32.054 0.50 29.00 O ATOM 986 OE2AGLU A 123 7.545 -1.723 35.466 0.50 27.50 O ATOM 987 OE2BGLU A 123 6.944 -2.796 34.007 0.50 32.13 O ATOM 988 N ARG A 124 1.332 -1.387 36.376 1.00 15.83 N ATOM 989 CA ARG A 124 -0.113 -1.563 36.357 1.00 14.54 C ATOM 990 C ARG A 124 -0.810 -0.182 36.269 1.00 15.48 C ATOM 991 O ARG A 124 -0.529 0.768 37.058 1.00 12.53 O ATOM 992 CB ARG A 124 -0.571 -2.213 37.684 1.00 15.47 C ATOM 993 CG ARG A 124 -2.078 -2.489 37.712 1.00 15.29 C ATOM 994 CD ARG A 124 -2.453 -2.870 39.136 1.00 15.05 C ATOM 995 NE ARG A 124 -2.144 -4.286 39.384 1.00 17.56 N ATOM 996 CZ ARG A 124 -2.925 -5.320 39.015 1.00 19.07 C ATOM 997 NH1 ARG A 124 -4.051 -5.192 38.271 1.00 15.12 N ATOM 998 NH2 ARG A 124 -2.588 -6.547 39.400 1.00 19.93 N ATOM 999 N VAL A 125 -1.797 -0.115 35.371 1.00 16.10 N ATOM 1000 CA VAL A 125 -2.643 1.081 35.247 1.00 17.31 C ATOM 1001 C VAL A 125 -4.136 0.757 35.195 1.00 16.89 C ATOM 1002 O VAL A 125 -4.981 1.662 34.951 1.00 16.46 O ATOM 1003 CB VAL A 125 -2.247 1.953 33.969 1.00 18.72 C ATOM 1004 CG1 VAL A 125 -0.956 2.721 34.231 1.00 17.80 C ATOM 1005 CG2 VAL A 125 -2.293 1.105 32.681 1.00 19.14 C ATOM 1006 N VAL A 126 -4.448 -0.522 35.382 1.00 16.05 N ATOM 1007 CA VAL A 126 -5.833 -0.950 35.538 1.00 16.82 C ATOM 1008 C VAL A 126 -5.815 -1.783 36.816 1.00 15.36 C ATOM 1009 O VAL A 126 -5.021 -2.735 36.957 1.00 16.91 O ATOM 1010 CB VAL A 126 -6.321 -1.863 34.318 1.00 16.24 C ATOM 1011 CG1 VAL A 126 -7.829 -2.270 34.483 1.00 15.31 C ATOM 1012 CG2 VAL A 126 -6.081 -1.080 32.883 1.00 18.75 C ATOM 1013 N GLY A 127 -6.741 -1.494 37.724 1.00 16.20 N ATOM 1014 CA GLY A 127 -6.764 -2.204 39.027 1.00 15.99 C ATOM 1015 C GLY A 127 -7.288 -3.638 38.970 1.00 18.55 C ATOM 1016 O GLY A 127 -8.074 -4.011 38.073 1.00 17.72 O ATOM 1017 N LYS A 128 -6.845 -4.475 39.903 1.00 17.24 N ATOM 1018 CA LYS A 128 -7.444 -5.836 39.951 1.00 19.35 C ATOM 1019 C LYS A 128 -8.918 -5.755 40.257 1.00 19.57 C ATOM 1020 O LYS A 128 -9.752 -6.364 39.570 1.00 19.32 O ATOM 1021 CB LYS A 128 -6.756 -6.686 41.019 1.00 19.90 C ATOM 1022 CG LYS A 128 -7.243 -8.160 40.953 1.00 22.92 C ATOM 1023 CD LYS A 128 -6.273 -9.025 41.673 1.00 27.68 C ATOM 1024 CE LYS A 128 -6.657 -10.531 41.436 1.00 33.30 C ATOM 1025 NZ LYS A 128 -5.602 -11.388 42.027 1.00 32.14 N ATOM 1026 N GLU A 129 -9.267 -4.998 41.305 1.00 19.40 N ATOM 1027 CA GLU A 129 -10.672 -4.821 41.668 1.00 19.58 C ATOM 1028 C GLU A 129 -11.454 -4.156 40.519 1.00 19.45 C ATOM 1029 O GLU A 129 -12.597 -4.505 40.263 1.00 19.67 O ATOM 1030 CB GLU A 129 -10.830 -4.029 42.994 1.00 18.68 C ATOM 1031 CG GLU A 129 -12.235 -4.070 43.469 1.00 22.51 C ATOM 1032 CD GLU A 129 -12.351 -3.642 44.891 1.00 28.17 C ATOM 1033 OE1 GLU A 129 -11.698 -4.223 45.773 1.00 34.78 O ATOM 1034 OE2 GLU A 129 -13.086 -2.695 45.148 1.00 26.64 O ATOM 1035 N GLN A 130 -10.814 -3.223 39.809 1.00 21.48 N ATOM 1036 CA GLN A 130 -11.422 -2.600 38.632 1.00 21.83 C ATOM 1037 C GLN A 130 -11.826 -3.650 37.545 1.00 21.38 C ATOM 1038 O GLN A 130 -12.966 -3.611 37.001 1.00 21.45 O ATOM 1039 CB GLN A 130 -10.510 -1.424 38.146 1.00 24.46 C ATOM 1040 CG GLN A 130 -10.962 -0.672 36.849 1.00 26.09 C ATOM 1041 CD GLN A 130 -9.888 0.324 36.352 1.00 24.31 C ATOM 1042 OE1 GLN A 130 -8.830 0.507 36.961 1.00 20.31 O ATOM 1043 NE2 GLN A 130 -10.169 0.949 35.245 1.00 21.76 N ATOM 1044 N GLY A 131 -10.972 -4.641 37.268 1.00 20.82 N ATOM 1045 CA GLY A 131 -11.384 -5.760 36.367 1.00 22.01 C ATOM 1046 C GLY A 131 -12.473 -6.646 36.995 1.00 23.15 C ATOM 1047 O GLY A 131 -13.440 -6.992 36.298 1.00 22.08 O ATOM 1048 N GLN A 132 -12.325 -6.999 38.278 1.00 23.13 N ATOM 1049 CA GLN A 132 -13.395 -7.776 39.015 1.00 25.50 C ATOM 1050 C GLN A 132 -14.767 -7.057 38.936 1.00 25.77 C ATOM 1051 O GLN A 132 -15.836 -7.688 38.780 1.00 25.69 O ATOM 1052 CB GLN A 132 -13.067 -8.033 40.499 1.00 27.24 C ATOM 1053 CG GLN A 132 -11.818 -8.925 40.678 1.00 29.68 C ATOM 1054 CD GLN A 132 -11.241 -8.939 42.072 1.00 34.65 C ATOM 1055 OE1 GLN A 132 -11.375 -7.990 42.841 1.00 34.99 O ATOM 1056 NE2 GLN A 132 -10.550 -10.019 42.398 1.00 34.91 N ATOM 1057 N ASN A 133 -14.749 -5.717 39.032 1.00 26.46 N ATOM 1058 CA ASN A 133 -15.995 -4.918 38.840 1.00 25.94 C ATOM 1059 C ASN A 133 -16.637 -5.013 37.463 1.00 25.47 C ATOM 1060 O ASN A 133 -17.910 -5.086 37.294 1.00 24.40 O ATOM 1061 CB ASN A 133 -15.721 -3.456 39.166 1.00 25.74 C ATOM 1062 CG ASN A 133 -15.507 -3.238 40.650 1.00 27.56 C ATOM 1063 OD1 ASN A 133 -15.806 -4.130 41.523 1.00 21.38 O ATOM 1064 ND2 ASN A 133 -14.962 -2.041 40.973 1.00 22.90 N ATOM 1065 N LEU A 134 -15.783 -4.985 36.450 1.00 24.71 N ATOM 1066 CA LEU A 134 -16.293 -5.118 35.100 1.00 24.09 C ATOM 1067 C LEU A 134 -16.881 -6.528 34.902 1.00 24.53 C ATOM 1068 O LEU A 134 -18.005 -6.661 34.382 1.00 25.15 O ATOM 1069 CB LEU A 134 -15.246 -4.746 34.019 1.00 24.19 C ATOM 1070 CG LEU A 134 -15.798 -4.776 32.554 1.00 21.53 C ATOM 1071 CD1 LEU A 134 -16.734 -3.596 32.289 1.00 23.73 C ATOM 1072 CD2 LEU A 134 -14.682 -4.676 31.612 1.00 21.84 C ATOM 1073 N ALA A 135 -16.182 -7.567 35.388 1.00 25.33 N ATOM 1074 CA ALA A 135 -16.690 -8.965 35.272 1.00 26.53 C ATOM 1075 C ALA A 135 -18.005 -9.154 36.021 1.00 26.70 C ATOM 1076 O ALA A 135 -18.906 -9.843 35.538 1.00 26.50 O ATOM 1077 CB ALA A 135 -15.676 -10.014 35.778 1.00 26.01 C ATOM 1078 N ARG A 136 -18.056 -8.619 37.229 1.00 26.23 N ATOM 1079 CA ARG A 136 -19.290 -8.659 38.057 1.00 27.48 C ATOM 1080 C ARG A 136 -20.446 -8.066 37.274 1.00 27.62 C ATOM 1081 O ARG A 136 -21.539 -8.651 37.183 1.00 27.30 O ATOM 1082 CB ARG A 136 -19.095 -7.940 39.384 1.00 26.85 C ATOM 1083 CG ARG A 136 -20.034 -8.459 40.471 1.00 31.84 C ATOM 1084 CD ARG A 136 -19.756 -7.802 41.861 1.00 35.30 C ATOM 1085 NE ARG A 136 -18.559 -6.934 41.931 1.00 39.07 N ATOM 1086 CZ ARG A 136 -17.343 -7.316 42.331 1.00 39.61 C ATOM 1087 NH1 ARG A 136 -17.123 -8.571 42.692 1.00 38.14 N ATOM 1088 NH2 ARG A 136 -16.340 -6.432 42.384 1.00 39.82 N ATOM 1089 N GLN A 137 -20.189 -6.923 36.671 1.00 27.63 N ATOM 1090 CA GLN A 137 -21.179 -6.255 35.884 1.00 29.31 C ATOM 1091 C GLN A 137 -21.693 -7.094 34.772 1.00 29.30 C ATOM 1092 O GLN A 137 -22.869 -7.010 34.480 1.00 28.87 O ATOM 1093 CB GLN A 137 -20.652 -4.922 35.390 1.00 30.57 C ATOM 1094 CG GLN A 137 -21.211 -4.422 34.082 1.00 33.79 C ATOM 1095 CD GLN A 137 -20.496 -3.158 33.676 1.00 39.43 C ATOM 1096 OE1 GLN A 137 -20.245 -2.283 34.521 1.00 38.24 O ATOM 1097 NE2 GLN A 137 -20.112 -3.068 32.391 1.00 39.61 N ATOM 1098 N TRP A 138 -20.816 -7.896 34.154 1.00 29.66 N ATOM 1099 CA TRP A 138 -21.162 -8.822 33.090 1.00 30.20 C ATOM 1100 C TRP A 138 -21.750 -10.101 33.679 1.00 31.65 C ATOM 1101 O TRP A 138 -21.234 -11.203 33.428 1.00 30.13 O ATOM 1102 CB TRP A 138 -19.908 -9.204 32.304 1.00 29.80 C ATOM 1103 CG TRP A 138 -19.268 -8.114 31.496 1.00 27.29 C ATOM 1104 CD1 TRP A 138 -19.734 -6.847 31.252 1.00 27.85 C ATOM 1105 CD2 TRP A 138 -18.035 -8.223 30.820 1.00 26.78 C ATOM 1106 NE1 TRP A 138 -18.855 -6.170 30.443 1.00 31.18 N ATOM 1107 CE2 TRP A 138 -17.807 -7.002 30.153 1.00 26.52 C ATOM 1108 CE3 TRP A 138 -17.119 -9.265 30.656 1.00 22.39 C ATOM 1109 CZ2 TRP A 138 -16.705 -6.799 29.348 1.00 28.85 C ATOM 1110 CZ3 TRP A 138 -15.990 -9.030 29.888 1.00 22.53 C ATOM 1111 CH2 TRP A 138 -15.801 -7.823 29.245 1.00 24.52 C ATOM 1112 N CYS A 139 -22.820 -9.958 34.474 1.00 32.16 N ATOM 1113 CA CYS A 139 -23.542 -11.110 34.992 1.00 34.17 C ATOM 1114 C CYS A 139 -22.638 -12.138 35.722 1.00 33.80 C ATOM 1115 O CYS A 139 -22.684 -13.350 35.428 1.00 34.33 O ATOM 1116 CB CYS A 139 -24.306 -11.776 33.835 1.00 35.51 C ATOM 1117 SG CYS A 139 -25.690 -10.775 33.203 1.00 41.70 S ATOM 1118 N ASN A 140 -21.796 -11.660 36.654 1.00 32.91 N ATOM 1119 CA ASN A 140 -20.883 -12.551 37.431 1.00 32.76 C ATOM 1120 C ASN A 140 -20.000 -13.406 36.508 1.00 31.77 C ATOM 1121 O ASN A 140 -19.870 -14.618 36.719 1.00 31.31 O ATOM 1122 CB ASN A 140 -21.661 -13.524 38.365 1.00 33.50 C ATOM 1123 CG ASN A 140 -22.498 -12.820 39.355 1.00 37.53 C ATOM 1124 OD1 ASN A 140 -22.005 -11.931 40.053 1.00 45.02 O ATOM 1125 ND2 ASN A 140 -23.793 -13.187 39.440 1.00 41.06 N ATOM 1126 N CYS A 141 -19.438 -12.770 35.483 1.00 30.06 N ATOM 1127 CA CYS A 141 -18.474 -13.396 34.556 1.00 28.99 C ATOM 1128 C CYS A 141 -17.233 -13.896 35.253 1.00 28.06 C ATOM 1129 O CYS A 141 -16.732 -13.220 36.149 1.00 29.01 O ATOM 1130 CB CYS A 141 -18.053 -12.385 33.499 1.00 28.01 C ATOM 1131 SG CYS A 141 -17.209 -13.200 32.113 1.00 31.35 S ATOM 1132 N ALA A 142 -16.695 -15.030 34.810 1.00 25.80 N ATOM 1133 CA ALA A 142 -15.418 -15.536 35.332 1.00 24.54 C ATOM 1134 C ALA A 142 -14.334 -14.466 35.105 1.00 22.94 C ATOM 1135 O ALA A 142 -14.423 -13.718 34.123 1.00 21.88 O ATOM 1136 CB ALA A 142 -15.050 -16.852 34.609 1.00 24.53 C ATOM 1137 N PHE A 143 -13.358 -14.364 36.030 1.00 21.87 N ATOM 1138 CA PHE A 143 -12.322 -13.359 35.962 1.00 21.80 C ATOM 1139 C PHE A 143 -10.997 -13.933 36.439 1.00 22.53 C ATOM 1140 O PHE A 143 -10.961 -14.552 37.472 1.00 20.43 O ATOM 1141 CB PHE A 143 -12.684 -12.127 36.867 1.00 22.93 C ATOM 1142 CG PHE A 143 -11.590 -11.077 36.896 1.00 21.68 C ATOM 1143 CD1 PHE A 143 -11.335 -10.281 35.765 1.00 23.89 C ATOM 1144 CD2 PHE A 143 -10.767 -10.939 38.028 1.00 25.51 C ATOM 1145 CE1 PHE A 143 -10.289 -9.314 35.760 1.00 25.31 C ATOM 1146 CE2 PHE A 143 -9.724 -10.016 38.060 1.00 25.94 C ATOM 1147 CZ PHE A 143 -9.480 -9.171 36.931 1.00 25.96 C ATOM 1148 N LEU A 144 -9.885 -13.745 35.700 1.00 21.35 N ATOM 1149 CA LEU A 144 -8.571 -14.111 36.229 1.00 21.16 C ATOM 1150 C LEU A 144 -7.643 -12.959 35.841 1.00 20.79 C ATOM 1151 O LEU A 144 -7.861 -12.370 34.791 1.00 20.33 O ATOM 1152 CB LEU A 144 -7.977 -15.399 35.608 1.00 24.05 C ATOM 1153 CG LEU A 144 -8.662 -16.764 35.824 1.00 28.54 C ATOM 1154 CD1 LEU A 144 -7.907 -17.781 34.990 1.00 30.84 C ATOM 1155 CD2 LEU A 144 -8.766 -17.203 37.300 1.00 29.88 C ATOM 1156 N GLU A 145 -6.592 -12.718 36.645 1.00 18.58 N ATOM 1157 CA GLU A 145 -5.407 -12.000 36.173 1.00 18.64 C ATOM 1158 C GLU A 145 -4.306 -13.052 35.889 1.00 19.83 C ATOM 1159 O GLU A 145 -4.077 -13.998 36.683 1.00 20.02 O ATOM 1160 CB GLU A 145 -4.898 -11.001 37.239 1.00 19.32 C ATOM 1161 CG GLU A 145 -5.684 -9.736 37.186 1.00 18.24 C ATOM 1162 CD GLU A 145 -5.069 -8.590 37.951 1.00 19.78 C ATOM 1163 OE1 GLU A 145 -4.192 -8.847 38.797 1.00 19.37 O ATOM 1164 OE2 GLU A 145 -5.495 -7.421 37.711 1.00 22.98 O ATOM 1165 N SER A 146 -3.624 -12.885 34.767 1.00 19.54 N ATOM 1166 CA SER A 146 -2.746 -13.901 34.260 1.00 19.98 C ATOM 1167 C SER A 146 -1.380 -13.289 33.930 1.00 19.88 C ATOM 1168 O SER A 146 -1.250 -12.080 33.839 1.00 19.28 O ATOM 1169 CB SER A 146 -3.360 -14.562 33.000 1.00 19.42 C ATOM 1170 OG SER A 146 -3.490 -13.569 31.856 1.00 21.81 O ATOM 1171 N SER A 147 -0.398 -14.151 33.633 1.00 18.87 N ATOM 1172 CA SER A 147 0.883 -13.763 33.071 1.00 19.51 C ATOM 1173 C SER A 147 1.341 -14.918 32.159 1.00 21.56 C ATOM 1174 O SER A 147 1.534 -16.096 32.656 1.00 20.57 O ATOM 1175 CB SER A 147 1.976 -13.556 34.170 1.00 19.67 C ATOM 1176 OG SER A 147 3.201 -13.289 33.476 1.00 19.11 O ATOM 1177 N ALA A 148 1.472 -14.623 30.857 1.00 20.63 N ATOM 1178 CA ALA A 148 2.080 -15.574 29.914 1.00 21.68 C ATOM 1179 C ALA A 148 3.528 -15.731 30.228 1.00 21.60 C ATOM 1180 O ALA A 148 4.121 -16.761 29.896 1.00 22.66 O ATOM 1181 CB ALA A 148 1.970 -15.034 28.471 1.00 20.63 C ATOM 1182 N LYS A 149 4.139 -14.706 30.803 1.00 22.60 N ATOM 1183 CA LYS A 149 5.620 -14.737 31.106 1.00 24.41 C ATOM 1184 C LYS A 149 5.938 -15.587 32.347 1.00 25.17 C ATOM 1185 O LYS A 149 6.802 -16.420 32.308 1.00 26.48 O ATOM 1186 CB LYS A 149 6.234 -13.288 31.129 1.00 24.70 C ATOM 1187 CG LYS A 149 7.768 -13.191 31.390 1.00 25.94 C ATOM 1188 CD LYS A 149 8.230 -11.705 31.344 1.00 26.73 C ATOM 1189 CE LYS A 149 9.593 -11.454 32.001 1.00 29.00 C ATOM 1190 NZ LYS A 149 10.474 -11.874 30.914 1.00 32.08 N ATOM 1191 N SER A 150 5.182 -15.397 33.415 1.00 26.50 N ATOM 1192 CA SER A 150 5.364 -16.105 34.703 1.00 26.81 C ATOM 1193 C SER A 150 4.561 -17.345 34.795 1.00 25.97 C ATOM 1194 O SER A 150 4.605 -17.989 35.818 1.00 26.15 O ATOM 1195 CB SER A 150 4.801 -15.240 35.846 1.00 25.36 C ATOM 1196 OG SER A 150 5.586 -14.116 35.934 1.00 27.98 O ATOM 1197 N LYS A 151 3.735 -17.613 33.789 1.00 26.24 N ATOM 1198 CA LYS A 151 2.856 -18.791 33.763 1.00 26.95 C ATOM 1199 C LYS A 151 1.919 -18.780 34.934 1.00 28.01 C ATOM 1200 O LYS A 151 1.808 -19.772 35.703 1.00 30.87 O ATOM 1201 CB LYS A 151 3.712 -20.068 33.742 1.00 28.00 C ATOM 1202 CG LYS A 151 4.666 -20.081 32.575 1.00 29.68 C ATOM 1203 CD LYS A 151 5.279 -21.461 32.411 1.00 35.61 C ATOM 1204 CE LYS A 151 6.637 -21.367 31.784 1.00 39.71 C ATOM 1205 NZ LYS A 151 7.607 -20.976 32.861 1.00 41.68 N ATOM 1206 N ILE A 152 1.337 -17.620 35.209 1.00 24.99 N ATOM 1207 CA ILE A 152 0.292 -17.537 36.225 1.00 24.72 C ATOM 1208 C ILE A 152 -1.086 -17.643 35.544 1.00 23.16 C ATOM 1209 O ILE A 152 -1.426 -16.794 34.696 1.00 21.35 O ATOM 1210 CB ILE A 152 0.361 -16.201 37.026 1.00 22.48 C ATOM 1211 CG1 ILE A 152 1.661 -16.112 37.794 1.00 27.42 C ATOM 1212 CG2 ILE A 152 -0.895 -15.978 37.856 1.00 25.07 C ATOM 1213 CD1 ILE A 152 1.934 -14.753 38.435 1.00 30.44 C ATOM 1214 N ASN A 153 -1.862 -18.659 35.911 1.00 20.07 N ATOM 1215 CA ASN A 153 -3.259 -18.745 35.465 1.00 22.09 C ATOM 1216 C ASN A 153 -3.460 -18.966 33.939 1.00 23.06 C ATOM 1217 O ASN A 153 -4.512 -18.643 33.369 1.00 25.17 O ATOM 1218 CB ASN A 153 -4.048 -17.529 35.971 1.00 21.19 C ATOM 1219 CG ASN A 153 -4.465 -17.694 37.423 1.00 27.01 C ATOM 1220 OD1 ASN A 153 -4.543 -18.823 37.923 1.00 23.87 O ATOM 1221 ND2 ASN A 153 -4.781 -16.589 38.088 1.00 21.51 N ATOM 1222 N VAL A 154 -2.433 -19.472 33.271 1.00 22.67 N ATOM 1223 CA VAL A 154 -2.498 -19.597 31.807 1.00 22.37 C ATOM 1224 C VAL A 154 -3.436 -20.770 31.458 1.00 24.08 C ATOM 1225 O VAL A 154 -4.445 -20.609 30.757 1.00 20.63 O ATOM 1226 CB VAL A 154 -1.077 -19.739 31.213 1.00 22.90 C ATOM 1227 CG1 VAL A 154 -1.107 -20.094 29.655 1.00 21.10 C ATOM 1228 CG2 VAL A 154 -0.278 -18.458 31.429 1.00 20.74 C ATOM 1229 N ASN A 155 -3.149 -21.948 32.030 1.00 24.33 N ATOM 1230 CA ASN A 155 -3.957 -23.075 31.714 1.00 27.06 C ATOM 1231 C ASN A 155 -5.371 -22.849 32.198 1.00 27.31 C ATOM 1232 O ASN A 155 -6.334 -23.281 31.556 1.00 27.77 O ATOM 1233 CB ASN A 155 -3.379 -24.359 32.379 1.00 27.87 C ATOM 1234 CG ASN A 155 -1.921 -24.650 31.973 1.00 30.57 C ATOM 1235 OD1 ASN A 155 -1.226 -25.307 32.723 1.00 35.80 O ATOM 1236 ND2 ASN A 155 -1.460 -24.166 30.818 1.00 28.99 N ATOM 1237 N GLU A 156 -5.488 -22.245 33.389 1.00 26.41 N ATOM 1238 CA GLU A 156 -6.776 -21.992 34.009 1.00 26.37 C ATOM 1239 C GLU A 156 -7.764 -21.237 33.067 1.00 24.91 C ATOM 1240 O GLU A 156 -8.953 -21.453 33.118 1.00 23.54 O ATOM 1241 CB GLU A 156 -6.560 -21.237 35.335 1.00 27.01 C ATOM 1242 CG GLU A 156 -5.982 -22.136 36.450 1.00 33.77 C ATOM 1243 CD GLU A 156 -4.419 -22.245 36.466 1.00 39.78 C ATOM 1244 OE1 GLU A 156 -3.719 -21.819 35.511 1.00 31.77 O ATOM 1245 OE2 GLU A 156 -3.881 -22.816 37.462 1.00 43.49 O ATOM 1246 N ILE A 157 -7.262 -20.320 32.243 1.00 24.28 N ATOM 1247 CA ILE A 157 -8.108 -19.610 31.288 1.00 22.79 C ATOM 1248 C ILE A 157 -8.878 -20.564 30.398 1.00 24.16 C ATOM 1249 O ILE A 157 -10.101 -20.383 30.188 1.00 26.36 O ATOM 1250 CB ILE A 157 -7.300 -18.658 30.370 1.00 22.84 C ATOM 1251 CG1 ILE A 157 -6.695 -17.448 31.131 1.00 21.55 C ATOM 1252 CG2 ILE A 157 -8.202 -18.211 29.166 1.00 21.81 C ATOM 1253 CD1 ILE A 157 -5.502 -16.862 30.341 1.00 23.14 C ATOM 1254 N PHE A 158 -8.158 -21.530 29.810 1.00 21.91 N ATOM 1255 CA PHE A 158 -8.717 -22.452 28.819 1.00 22.77 C ATOM 1256 C PHE A 158 -9.489 -23.534 29.578 1.00 23.20 C ATOM 1257 O PHE A 158 -10.536 -23.918 29.142 1.00 21.38 O ATOM 1258 CB PHE A 158 -7.611 -23.007 27.961 1.00 18.90 C ATOM 1259 CG PHE A 158 -6.880 -21.888 27.175 1.00 22.28 C ATOM 1260 CD1 PHE A 158 -7.468 -21.292 26.077 1.00 21.00 C ATOM 1261 CD2 PHE A 158 -5.689 -21.336 27.665 1.00 21.62 C ATOM 1262 CE1 PHE A 158 -6.780 -20.216 25.358 1.00 22.34 C ATOM 1263 CE2 PHE A 158 -5.013 -20.291 27.006 1.00 23.61 C ATOM 1264 CZ PHE A 158 -5.558 -19.740 25.852 1.00 22.97 C ATOM 1265 N TYR A 159 -8.993 -23.938 30.739 1.00 24.05 N ATOM 1266 CA TYR A 159 -9.720 -25.039 31.473 1.00 25.51 C ATOM 1267 C TYR A 159 -11.049 -24.506 31.965 1.00 25.32 C ATOM 1268 O TYR A 159 -12.057 -25.210 31.946 1.00 27.13 O ATOM 1269 CB TYR A 159 -8.938 -25.538 32.657 1.00 26.75 C ATOM 1270 CG TYR A 159 -7.652 -26.248 32.345 1.00 31.21 C ATOM 1271 CD1 TYR A 159 -7.373 -26.742 31.066 1.00 34.65 C ATOM 1272 CD2 TYR A 159 -6.711 -26.458 33.370 1.00 37.40 C ATOM 1273 CE1 TYR A 159 -6.188 -27.398 30.815 1.00 35.57 C ATOM 1274 CE2 TYR A 159 -5.531 -27.127 33.129 1.00 38.45 C ATOM 1275 CZ TYR A 159 -5.275 -27.586 31.854 1.00 39.94 C ATOM 1276 OH TYR A 159 -4.094 -28.250 31.640 1.00 43.32 O ATOM 1277 N ASP A 160 -11.075 -23.241 32.377 1.00 25.89 N ATOM 1278 CA ASP A 160 -12.358 -22.670 32.856 1.00 26.54 C ATOM 1279 C ASP A 160 -13.385 -22.507 31.711 1.00 25.29 C ATOM 1280 O ASP A 160 -14.583 -22.703 31.905 1.00 24.89 O ATOM 1281 CB ASP A 160 -12.213 -21.398 33.667 1.00 26.87 C ATOM 1282 CG ASP A 160 -13.496 -21.081 34.436 1.00 32.30 C ATOM 1283 OD1 ASP A 160 -13.814 -21.864 35.353 1.00 39.33 O ATOM 1284 OD2 ASP A 160 -14.221 -20.121 34.078 1.00 33.64 O ATOM 1285 N LEU A 161 -12.914 -22.211 30.512 1.00 22.87 N ATOM 1286 CA LEU A 161 -13.820 -22.177 29.378 1.00 23.60 C ATOM 1287 C LEU A 161 -14.350 -23.578 29.045 1.00 23.57 C ATOM 1288 O LEU A 161 -15.537 -23.710 28.766 1.00 25.38 O ATOM 1289 CB LEU A 161 -13.134 -21.529 28.144 1.00 23.30 C ATOM 1290 CG LEU A 161 -12.858 -20.006 28.203 1.00 25.92 C ATOM 1291 CD1 LEU A 161 -12.064 -19.533 26.874 1.00 22.22 C ATOM 1292 CD2 LEU A 161 -14.138 -19.238 28.403 1.00 23.37 C ATOM 1293 N VAL A 162 -13.497 -24.613 29.089 1.00 23.82 N ATOM 1294 CA VAL A 162 -13.914 -26.000 28.796 1.00 23.66 C ATOM 1295 C VAL A 162 -14.943 -26.409 29.921 1.00 24.70 C ATOM 1296 O VAL A 162 -16.031 -26.930 29.639 1.00 24.34 O ATOM 1297 CB VAL A 162 -12.695 -26.986 28.810 1.00 23.43 C ATOM 1298 CG1 VAL A 162 -13.150 -28.410 29.014 1.00 26.77 C ATOM 1299 CG2 VAL A 162 -11.854 -26.895 27.550 1.00 24.59 C ATOM 1300 N ARG A 163 -14.640 -26.086 31.179 1.00 24.77 N ATOM 1301 CA ARG A 163 -15.586 -26.449 32.270 1.00 25.03 C ATOM 1302 C ARG A 163 -16.928 -25.745 32.093 1.00 24.73 C ATOM 1303 O ARG A 163 -17.960 -26.348 32.389 1.00 25.87 O ATOM 1304 CB ARG A 163 -15.011 -26.155 33.668 1.00 25.67 C ATOM 1305 CG ARG A 163 -13.881 -27.121 34.048 1.00 31.35 C ATOM 1306 CD ARG A 163 -13.475 -27.039 35.547 1.00 38.68 C ATOM 1307 NE ARG A 163 -12.139 -27.631 35.672 1.00 42.79 N ATOM 1308 CZ ARG A 163 -11.001 -26.939 35.805 1.00 39.98 C ATOM 1309 NH1 ARG A 163 -11.015 -25.628 35.923 1.00 38.94 N ATOM 1310 NH2 ARG A 163 -9.838 -27.582 35.865 1.00 40.99 N ATOM 1311 N GLN A 164 -16.901 -24.466 31.686 1.00 23.76 N ATOM 1312 CA GLN A 164 -18.078 -23.683 31.320 1.00 23.04 C ATOM 1313 C GLN A 164 -18.895 -24.321 30.230 1.00 23.59 C ATOM 1314 O GLN A 164 -20.090 -24.614 30.425 1.00 24.84 O ATOM 1315 CB GLN A 164 -17.694 -22.253 30.972 1.00 22.90 C ATOM 1316 CG GLN A 164 -17.328 -21.380 32.241 1.00 21.60 C ATOM 1317 CD GLN A 164 -17.074 -19.956 31.841 1.00 23.63 C ATOM 1318 OE1 GLN A 164 -17.972 -19.316 31.282 1.00 22.43 O ATOM 1319 NE2 GLN A 164 -15.845 -19.434 32.112 1.00 22.80 N ATOM 1320 N ILE A 165 -18.251 -24.633 29.100 1.00 26.57 N ATOM 1321 CA ILE A 165 -18.883 -25.415 28.026 1.00 27.48 C ATOM 1322 C ILE A 165 -19.608 -26.685 28.515 1.00 30.03 C ATOM 1323 O ILE A 165 -20.728 -26.979 28.100 1.00 28.20 O ATOM 1324 CB ILE A 165 -17.892 -25.662 26.888 1.00 26.22 C ATOM 1325 CG1 ILE A 165 -17.680 -24.325 26.137 1.00 26.81 C ATOM 1326 CG2 ILE A 165 -18.339 -26.841 25.980 1.00 27.94 C ATOM 1327 CD1 ILE A 165 -16.277 -24.159 25.326 1.00 22.22 C ATOM 1328 N ASN A 166 -18.963 -27.426 29.415 1.00 33.47 N ATOM 1329 CA ASN A 166 -19.494 -28.692 29.911 1.00 35.74 C ATOM 1330 C ASN A 166 -20.744 -28.558 30.744 1.00 37.85 C ATOM 1331 O ASN A 166 -21.494 -29.515 30.866 1.00 38.85 O ATOM 1332 CB ASN A 166 -18.431 -29.440 30.704 1.00 35.54 C ATOM 1333 CG ASN A 166 -17.408 -30.057 29.799 1.00 36.45 C ATOM 1334 OD1 ASN A 166 -17.566 -30.020 28.587 1.00 36.36 O ATOM 1335 ND2 ASN A 166 -16.367 -30.653 30.370 1.00 39.39 N ATOM 1336 N ARG A 167 -20.997 -27.379 31.293 1.00 40.20 N ATOM 1337 CA ARG A 167 -22.169 -27.222 32.153 1.00 42.91 C ATOM 1338 C ARG A 167 -23.474 -27.029 31.377 1.00 43.57 C ATOM 1339 O ARG A 167 -24.480 -27.647 31.715 1.00 44.76 O ATOM 1340 CB ARG A 167 -21.921 -26.128 33.161 1.00 43.25 C ATOM 1341 CG ARG A 167 -20.843 -26.569 34.113 1.00 45.74 C ATOM 1342 CD ARG A 167 -20.761 -25.685 35.289 1.00 47.15 C ATOM 1343 NE ARG A 167 -20.022 -24.478 34.959 1.00 49.66 N ATOM 1344 CZ ARG A 167 -20.447 -23.234 35.176 1.00 50.16 C ATOM 1345 NH1 ARG A 167 -21.629 -23.012 35.758 1.00 51.32 N ATOM 1346 NH2 ARG A 167 -19.675 -22.209 34.838 1.00 48.21 N ATOM 1347 OXT ARG A 167 -23.553 -26.310 30.374 1.00 44.53 O TER 1348 ARG A 167 ATOM 1349 N ASN B 56 0.002 -8.296 0.894 1.00 23.72 N ATOM 1350 CA ASN B 56 1.181 -9.147 0.631 1.00 24.36 C ATOM 1351 C ASN B 56 1.311 -10.165 1.750 1.00 23.37 C ATOM 1352 O ASN B 56 2.148 -10.030 2.681 1.00 22.34 O ATOM 1353 CB ASN B 56 2.380 -8.336 0.455 1.00 26.15 C ATOM 1354 CG ASN B 56 2.304 -7.526 -0.861 1.00 33.13 C ATOM 1355 OD1 ASN B 56 1.302 -7.617 -1.573 1.00 39.07 O ATOM 1356 ND2 ASN B 56 3.326 -6.799 -1.177 1.00 37.55 N ATOM 1357 N THR B 57 0.370 -11.081 1.698 1.00 22.14 N ATOM 1358 CA THR B 57 0.327 -12.153 2.663 1.00 22.52 C ATOM 1359 C THR B 57 0.194 -13.508 1.907 1.00 20.18 C ATOM 1360 O THR B 57 -0.175 -13.567 0.686 1.00 18.10 O ATOM 1361 CB THR B 57 -0.886 -11.979 3.607 1.00 23.72 C ATOM 1362 OG1 THR B 57 -2.059 -11.910 2.801 1.00 23.69 O ATOM 1363 CG2 THR B 57 -0.776 -10.716 4.541 1.00 24.43 C ATOM 1364 N ILE B 58 0.486 -14.578 2.657 1.00 17.96 N ATOM 1365 CA ILE B 58 0.329 -15.940 2.170 1.00 17.24 C ATOM 1366 C ILE B 58 -0.381 -16.714 3.296 1.00 18.37 C ATOM 1367 O ILE B 58 0.003 -16.618 4.451 1.00 15.12 O ATOM 1368 CB ILE B 58 1.706 -16.573 2.012 1.00 16.56 C ATOM 1369 CG1 ILE B 58 2.464 -15.852 0.888 1.00 17.05 C ATOM 1370 CG2 ILE B 58 1.530 -18.066 1.605 1.00 17.67 C ATOM 1371 CD1 ILE B 58 4.029 -16.362 0.840 1.00 19.70 C ATOM 1372 N ARG B 59 -1.427 -17.466 2.946 1.00 15.91 N ATOM 1373 CA ARG B 59 -2.055 -18.343 3.931 1.00 15.92 C ATOM 1374 C ARG B 59 -1.430 -19.739 3.833 1.00 15.36 C ATOM 1375 O ARG B 59 -1.235 -20.296 2.709 1.00 16.78 O ATOM 1376 CB ARG B 59 -3.579 -18.418 3.618 1.00 13.53 C ATOM 1377 CG ARG B 59 -4.371 -19.325 4.656 1.00 13.96 C ATOM 1378 CD ARG B 59 -5.928 -19.255 4.537 1.00 17.25 C ATOM 1379 NE ARG B 59 -6.362 -17.915 4.890 1.00 18.51 N ATOM 1380 CZ ARG B 59 -6.630 -16.986 3.997 1.00 21.74 C ATOM 1381 NH1 ARG B 59 -6.679 -17.252 2.669 1.00 17.99 N ATOM 1382 NH2 ARG B 59 -6.880 -15.777 4.455 1.00 19.84 N ATOM 1383 N VAL B 60 -1.191 -20.343 4.980 1.00 15.24 N ATOM 1384 CA VAL B 60 -0.484 -21.618 5.042 1.00 15.35 C ATOM 1385 C VAL B 60 -1.272 -22.522 6.008 1.00 17.16 C ATOM 1386 O VAL B 60 -1.458 -22.198 7.212 1.00 17.51 O ATOM 1387 CB VAL B 60 0.959 -21.444 5.569 1.00 14.75 C ATOM 1388 CG1 VAL B 60 1.673 -22.799 5.509 1.00 14.06 C ATOM 1389 CG2 VAL B 60 1.746 -20.394 4.730 1.00 17.51 C ATOM 1390 N PHE B 61 -1.716 -23.679 5.489 1.00 14.22 N ATOM 1391 CA PHE B 61 -2.332 -24.668 6.293 1.00 15.11 C ATOM 1392 C PHE B 61 -1.215 -25.545 6.858 1.00 16.34 C ATOM 1393 O PHE B 61 -0.217 -25.918 6.119 1.00 18.04 O ATOM 1394 CB PHE B 61 -3.333 -25.516 5.457 1.00 15.55 C ATOM 1395 CG PHE B 61 -4.470 -24.641 4.885 1.00 16.95 C ATOM 1396 CD1 PHE B 61 -5.612 -24.305 5.692 1.00 19.51 C ATOM 1397 CD2 PHE B 61 -4.321 -24.008 3.641 1.00 18.48 C ATOM 1398 CE1 PHE B 61 -6.636 -23.446 5.208 1.00 19.73 C ATOM 1399 CE2 PHE B 61 -5.388 -23.111 3.131 1.00 19.88 C ATOM 1400 CZ PHE B 61 -6.503 -22.826 3.935 1.00 17.47 C ATOM 1401 N LEU B 62 -1.419 -26.027 8.064 1.00 15.54 N ATOM 1402 CA LEU B 62 -0.321 -26.670 8.857 1.00 15.06 C ATOM 1403 C LEU B 62 -0.806 -27.977 9.434 1.00 16.66 C ATOM 1404 O LEU B 62 -1.990 -28.252 9.458 1.00 17.62 O ATOM 1405 CB LEU B 62 0.062 -25.732 10.056 1.00 15.73 C ATOM 1406 CG LEU B 62 0.691 -24.391 9.596 1.00 14.69 C ATOM 1407 CD1 LEU B 62 0.805 -23.469 10.788 1.00 18.49 C ATOM 1408 CD2 LEU B 62 2.083 -24.579 8.890 1.00 18.18 C ATOM 1409 N PRO B 63 0.117 -28.837 9.906 1.00 17.21 N ATOM 1410 CA PRO B 63 -0.276 -30.106 10.583 1.00 16.59 C ATOM 1411 C PRO B 63 -1.168 -29.875 11.790 1.00 16.08 C ATOM 1412 O PRO B 63 -1.216 -28.738 12.329 1.00 16.92 O ATOM 1413 CB PRO B 63 1.059 -30.694 11.032 1.00 16.94 C ATOM 1414 CG PRO B 63 2.053 -30.200 9.954 1.00 18.47 C ATOM 1415 CD PRO B 63 1.584 -28.701 9.741 1.00 15.32 C ATOM 1416 N ASN B 64 -1.899 -30.910 12.169 1.00 14.52 N ATOM 1417 CA ASN B 64 -2.848 -30.950 13.290 1.00 15.00 C ATOM 1418 C ASN B 64 -3.969 -29.872 13.115 1.00 14.18 C ATOM 1419 O ASN B 64 -4.310 -29.187 14.108 1.00 14.94 O ATOM 1420 CB ASN B 64 -2.106 -30.695 14.623 1.00 12.66 C ATOM 1421 CG ASN B 64 -2.922 -31.034 15.828 1.00 17.95 C ATOM 1422 OD1 ASN B 64 -3.862 -31.795 15.760 1.00 20.96 O ATOM 1423 ND2 ASN B 64 -2.566 -30.456 16.950 1.00 20.58 N ATOM 1424 N LYS B 65 -4.443 -29.723 11.880 1.00 15.44 N ATOM 1425 CA LYS B 65 -5.531 -28.810 11.482 1.00 16.89 C ATOM 1426 C LYS B 65 -5.348 -27.383 11.975 1.00 18.48 C ATOM 1427 O LYS B 65 -6.238 -26.808 12.582 1.00 17.38 O ATOM 1428 CB LYS B 65 -6.863 -29.351 12.040 1.00 17.86 C ATOM 1429 CG LYS B 65 -7.126 -30.739 11.494 1.00 23.90 C ATOM 1430 CD LYS B 65 -8.494 -31.308 12.055 1.00 32.90 C ATOM 1431 CE LYS B 65 -8.968 -32.441 11.244 1.00 36.21 C ATOM 1432 NZ LYS B 65 -10.083 -33.143 11.992 1.00 41.24 N ATOM 1433 N GLN B 66 -4.165 -26.845 11.809 1.00 15.43 N ATOM 1434 CA GLN B 66 -3.829 -25.478 12.262 1.00 16.42 C ATOM 1435 C GLN B 66 -3.632 -24.618 10.985 1.00 15.21 C ATOM 1436 O GLN B 66 -3.496 -25.161 9.832 1.00 15.66 O ATOM 1437 CB GLN B 66 -2.448 -25.550 12.988 1.00 15.23 C ATOM 1438 CG GLN B 66 -2.635 -26.248 14.351 1.00 19.33 C ATOM 1439 CD GLN B 66 -1.262 -26.301 15.027 1.00 23.88 C ATOM 1440 OE1 GLN B 66 -0.977 -25.435 15.841 1.00 25.65 O ATOM 1441 NE2 GLN B 66 -0.355 -27.229 14.583 1.00 24.64 N ATOM 1442 N ARG B 67 -3.603 -23.295 11.129 1.00 15.30 N ATOM 1443 CA ARG B 67 -3.348 -22.468 9.923 1.00 15.86 C ATOM 1444 C ARG B 67 -2.757 -21.167 10.414 1.00 16.49 C ATOM 1445 O ARG B 67 -2.958 -20.792 11.582 1.00 16.49 O ATOM 1446 CB ARG B 67 -4.633 -22.218 9.083 1.00 15.47 C ATOM 1447 CG ARG B 67 -5.567 -21.221 9.817 1.00 20.89 C ATOM 1448 CD ARG B 67 -6.873 -20.904 9.007 1.00 31.01 C ATOM 1449 NE ARG B 67 -7.690 -22.118 8.882 1.00 33.01 N ATOM 1450 CZ ARG B 67 -8.701 -22.260 8.018 1.00 35.45 C ATOM 1451 NH1 ARG B 67 -9.076 -21.245 7.200 1.00 35.19 N ATOM 1452 NH2 ARG B 67 -9.321 -23.421 7.969 1.00 28.52 N ATOM 1453 N THR B 68 -2.068 -20.467 9.507 1.00 15.43 N ATOM 1454 CA THR B 68 -1.575 -19.159 9.789 1.00 15.22 C ATOM 1455 C THR B 68 -1.620 -18.301 8.518 1.00 14.49 C ATOM 1456 O THR B 68 -1.682 -18.845 7.380 1.00 16.23 O ATOM 1457 CB THR B 68 -0.024 -19.291 10.292 1.00 15.61 C ATOM 1458 OG1 THR B 68 0.399 -17.964 10.698 1.00 20.17 O ATOM 1459 CG2 THR B 68 0.932 -19.840 9.174 1.00 17.61 C ATOM 1460 N VAL B 69 -1.578 -16.999 8.679 1.00 12.50 N ATOM 1461 CA VAL B 69 -1.278 -16.141 7.580 1.00 14.49 C ATOM 1462 C VAL B 69 -0.034 -15.311 7.931 1.00 15.17 C ATOM 1463 O VAL B 69 0.062 -14.789 9.066 1.00 15.72 O ATOM 1464 CB VAL B 69 -2.499 -15.193 7.320 1.00 13.99 C ATOM 1465 CG1 VAL B 69 -2.118 -14.114 6.292 1.00 15.54 C ATOM 1466 CG2 VAL B 69 -3.817 -16.047 6.861 1.00 16.86 C ATOM 1467 N VAL B 70 0.894 -15.247 6.960 1.00 13.57 N ATOM 1468 CA VAL B 70 2.138 -14.514 7.166 1.00 15.09 C ATOM 1469 C VAL B 70 2.255 -13.386 6.200 1.00 16.84 C ATOM 1470 O VAL B 70 1.779 -13.506 5.039 1.00 17.17 O ATOM 1471 CB VAL B 70 3.368 -15.414 7.092 1.00 15.94 C ATOM 1472 CG1 VAL B 70 3.283 -16.417 8.264 1.00 18.41 C ATOM 1473 CG2 VAL B 70 3.434 -16.197 5.765 1.00 17.19 C ATOM 1474 N ARG B 71 2.935 -12.305 6.666 1.00 16.95 N ATOM 1475 CA AARG B 71 3.213 -11.132 5.827 0.80 19.08 C ATOM 1476 CA BARG B 71 3.223 -11.133 5.843 0.20 18.76 C ATOM 1477 C ARG B 71 4.525 -11.407 5.075 1.00 18.96 C ATOM 1478 O ARG B 71 5.392 -12.172 5.563 1.00 19.60 O ATOM 1479 CB AARG B 71 3.430 -9.884 6.705 0.80 18.67 C ATOM 1480 CB BARG B 71 3.293 -9.839 6.701 0.20 18.87 C ATOM 1481 CG AARG B 71 4.678 -10.031 7.572 0.80 20.64 C ATOM 1482 CG BARG B 71 3.713 -10.036 8.174 0.20 22.01 C ATOM 1483 CD AARG B 71 4.916 -8.735 8.489 0.80 26.62 C ATOM 1484 CD BARG B 71 3.740 -8.734 9.014 0.20 24.50 C ATOM 1485 NE AARG B 71 3.862 -8.602 9.486 0.80 20.76 N ATOM 1486 NE BARG B 71 2.635 -8.535 9.975 0.20 27.31 N ATOM 1487 CZ AARG B 71 3.823 -9.216 10.693 0.80 22.96 C ATOM 1488 CZ BARG B 71 1.585 -7.772 9.700 0.20 29.31 C ATOM 1489 NH1AARG B 71 2.739 -9.032 11.466 0.20 6.60 N ATOM 1490 NH1BARG B 71 1.550 -7.235 8.494 0.80 30.36 N ATOM 1491 NH2AARG B 71 4.849 -9.953 11.131 0.20 4.78 N ATOM 1492 NH2BARG B 71 0.588 -7.549 10.585 0.80 27.48 N ATOM 1493 N VAL B 72 4.635 -10.841 3.873 1.00 17.51 N ATOM 1494 CA VAL B 72 5.821 -11.096 3.044 1.00 17.46 C ATOM 1495 C VAL B 72 6.440 -9.721 2.824 1.00 18.48 C ATOM 1496 O VAL B 72 5.732 -8.775 2.433 1.00 17.09 O ATOM 1497 CB VAL B 72 5.460 -11.642 1.621 1.00 18.32 C ATOM 1498 CG1 VAL B 72 6.798 -11.745 0.750 1.00 18.48 C ATOM 1499 CG2 VAL B 72 4.844 -13.025 1.811 1.00 18.08 C ATOM 1500 N ARG B 73 7.721 -9.571 3.128 1.00 19.85 N ATOM 1501 CA ARG B 73 8.458 -8.417 2.586 1.00 22.87 C ATOM 1502 C ARG B 73 9.328 -8.892 1.451 1.00 23.35 C ATOM 1503 O ARG B 73 9.980 -9.930 1.580 1.00 21.99 O ATOM 1504 CB ARG B 73 9.349 -7.829 3.659 1.00 24.69 C ATOM 1505 CG ARG B 73 8.543 -7.277 4.823 1.00 34.50 C ATOM 1506 CD ARG B 73 8.821 -7.961 6.146 1.00 44.52 C ATOM 1507 NE ARG B 73 8.659 -7.017 7.262 1.00 52.43 N ATOM 1508 CZ ARG B 73 8.338 -7.356 8.510 1.00 55.82 C ATOM 1509 NH1 ARG B 73 8.159 -8.636 8.835 1.00 59.53 N ATOM 1510 NH2 ARG B 73 8.196 -6.414 9.443 1.00 55.86 N ATOM 1511 N ASN B 74 9.317 -8.133 0.346 1.00 22.44 N ATOM 1512 CA ASN B 74 10.080 -8.442 -0.824 1.00 24.62 C ATOM 1513 C ASN B 74 11.548 -8.761 -0.423 1.00 24.03 C ATOM 1514 O ASN B 74 12.186 -8.023 0.374 1.00 23.18 O ATOM 1515 CB ASN B 74 9.960 -7.267 -1.829 1.00 25.05 C ATOM 1516 CG ASN B 74 10.692 -7.552 -3.138 1.00 32.82 C ATOM 1517 OD1 ASN B 74 11.429 -6.674 -3.642 1.00 41.77 O ATOM 1518 ND2 ASN B 74 10.552 -8.805 -3.681 1.00 30.67 N ATOM 1519 N GLY B 75 12.028 -9.901 -0.887 1.00 20.19 N ATOM 1520 CA GLY B 75 13.389 -10.377 -0.579 1.00 18.14 C ATOM 1521 C GLY B 75 13.339 -11.648 0.320 1.00 15.67 C ATOM 1522 O GLY B 75 14.226 -12.507 0.248 1.00 18.22 O ATOM 1523 N MET B 76 12.370 -11.790 1.191 1.00 14.76 N ATOM 1524 CA MET B 76 12.300 -12.973 2.084 1.00 15.33 C ATOM 1525 C MET B 76 12.052 -14.235 1.308 1.00 17.05 C ATOM 1526 O MET B 76 11.295 -14.190 0.286 1.00 16.50 O ATOM 1527 CB MET B 76 11.023 -12.861 2.949 1.00 17.63 C ATOM 1528 CG MET B 76 11.204 -11.945 4.158 1.00 21.06 C ATOM 1529 SD MET B 76 9.598 -12.057 5.112 1.00 31.86 S ATOM 1530 CE MET B 76 10.125 -10.502 5.176 1.00 17.52 C ATOM 1531 N SER B 77 12.655 -15.344 1.756 1.00 15.73 N ATOM 1532 CA SER B 77 12.275 -16.641 1.198 1.00 15.35 C ATOM 1533 C SER B 77 11.040 -17.181 1.940 1.00 15.87 C ATOM 1534 O SER B 77 10.567 -16.580 2.867 1.00 14.33 O ATOM 1535 CB SER B 77 13.388 -17.660 1.453 1.00 17.16 C ATOM 1536 OG SER B 77 13.286 -18.035 2.872 1.00 19.77 O ATOM 1537 N LEU B 78 10.461 -18.243 1.415 1.00 14.36 N ATOM 1538 CA LEU B 78 9.336 -18.871 2.071 1.00 17.63 C ATOM 1539 C LEU B 78 9.665 -19.287 3.485 1.00 19.11 C ATOM 1540 O LEU B 78 8.855 -19.042 4.426 1.00 18.77 O ATOM 1541 CB LEU B 78 8.874 -20.015 1.242 1.00 16.19 C ATOM 1542 CG LEU B 78 7.764 -20.964 1.689 1.00 22.34 C ATOM 1543 CD1 LEU B 78 6.527 -20.141 2.030 1.00 22.30 C ATOM 1544 CD2 LEU B 78 7.469 -22.032 0.579 1.00 19.25 C ATOM 1545 N HIS B 79 10.868 -19.834 3.670 1.00 17.69 N ATOM 1546 CA HIS B 79 11.260 -20.264 4.970 1.00 19.81 C ATOM 1547 C HIS B 79 11.341 -18.990 5.881 1.00 19.45 C ATOM 1548 O HIS B 79 10.887 -19.035 7.054 1.00 18.05 O ATOM 1549 CB HIS B 79 12.586 -20.998 4.932 1.00 21.19 C ATOM 1550 CG HIS B 79 13.164 -21.222 6.299 1.00 31.68 C ATOM 1551 ND1 HIS B 79 14.188 -20.451 6.810 1.00 38.79 N ATOM 1552 CD2 HIS B 79 12.788 -22.059 7.293 1.00 37.17 C ATOM 1553 CE1 HIS B 79 14.452 -20.849 8.043 1.00 38.34 C ATOM 1554 NE2 HIS B 79 13.637 -21.840 8.346 1.00 40.95 N ATOM 1555 N ASP B 80 11.867 -17.856 5.347 1.00 16.58 N ATOM 1556 CA ASP B 80 11.983 -16.636 6.177 1.00 15.47 C ATOM 1557 C ASP B 80 10.595 -16.160 6.646 1.00 16.90 C ATOM 1558 O ASP B 80 10.502 -15.698 7.785 1.00 15.07 O ATOM 1559 CB ASP B 80 12.579 -15.487 5.448 1.00 12.99 C ATOM 1560 CG ASP B 80 14.035 -15.793 5.031 1.00 13.55 C ATOM 1561 OD1 ASP B 80 14.734 -16.397 5.830 1.00 14.79 O ATOM 1562 OD2 ASP B 80 14.358 -15.470 3.909 1.00 14.73 O ATOM 1563 N CYS B 81 9.628 -16.152 5.757 1.00 15.64 N ATOM 1564 CA ACYS B 81 8.297 -15.650 6.099 0.50 17.11 C ATOM 1565 CA BCYS B 81 8.281 -15.681 6.105 0.50 17.54 C ATOM 1566 C CYS B 81 7.574 -16.566 7.118 1.00 17.17 C ATOM 1567 O CYS B 81 6.770 -16.064 7.939 1.00 19.32 O ATOM 1568 CB ACYS B 81 7.451 -15.333 4.820 0.50 16.69 C ATOM 1569 CB BCYS B 81 7.410 -15.578 4.854 0.50 17.62 C ATOM 1570 SG ACYS B 81 6.588 -16.703 3.988 0.50 20.82 S ATOM 1571 SG BCYS B 81 7.882 -14.280 3.852 0.50 23.16 S ATOM 1572 N LEU B 82 7.885 -17.879 7.101 1.00 16.57 N ATOM 1573 CA LEU B 82 7.219 -18.847 7.960 1.00 18.07 C ATOM 1574 C LEU B 82 7.918 -19.225 9.233 1.00 18.50 C ATOM 1575 O LEU B 82 7.293 -19.811 10.106 1.00 17.26 O ATOM 1576 CB LEU B 82 6.940 -20.150 7.193 1.00 17.43 C ATOM 1577 CG LEU B 82 5.649 -20.171 6.410 1.00 20.74 C ATOM 1578 CD1 LEU B 82 5.669 -21.404 5.553 1.00 17.75 C ATOM 1579 CD2 LEU B 82 4.319 -20.290 7.367 1.00 19.67 C ATOM 1580 N MET B 83 9.208 -18.875 9.373 1.00 17.68 N ATOM 1581 CA AMET B 83 9.988 -19.522 10.437 0.50 19.14 C ATOM 1582 CA BMET B 83 10.073 -19.359 10.459 0.50 18.89 C ATOM 1583 C MET B 83 9.411 -19.267 11.860 1.00 18.91 C ATOM 1584 O MET B 83 9.382 -20.204 12.659 1.00 18.52 O ATOM 1585 CB AMET B 83 11.487 -19.175 10.354 0.50 18.55 C ATOM 1586 CB BMET B 83 11.372 -18.526 10.464 0.50 16.83 C ATOM 1587 CG AMET B 83 12.505 -20.252 10.924 0.50 23.20 C ATOM 1588 CG BMET B 83 12.315 -18.888 11.590 0.50 22.24 C ATOM 1589 SD AMET B 83 12.102 -22.072 11.058 0.50 35.00 S ATOM 1590 SD BMET B 83 14.042 -18.627 11.089 0.50 29.35 S ATOM 1591 CE AMET B 83 11.377 -22.109 12.659 0.50 20.15 C ATOM 1592 CE BMET B 83 13.986 -17.101 10.160 0.50 22.05 C ATOM 1593 N LYS B 84 8.920 -18.068 12.166 1.00 18.14 N ATOM 1594 CA LYS B 84 8.377 -17.839 13.519 1.00 18.66 C ATOM 1595 C LYS B 84 7.130 -18.698 13.739 1.00 16.99 C ATOM 1596 O LYS B 84 6.908 -19.207 14.887 1.00 17.36 O ATOM 1597 CB LYS B 84 7.996 -16.363 13.709 1.00 19.32 C ATOM 1598 CG LYS B 84 9.219 -15.431 13.658 1.00 25.06 C ATOM 1599 CD LYS B 84 8.844 -13.982 14.085 1.00 31.78 C ATOM 1600 CE LYS B 84 9.780 -12.969 13.439 1.00 36.97 C ATOM 1601 NZ LYS B 84 11.130 -13.230 14.047 1.00 36.47 N ATOM 1602 N LYS B 85 6.284 -18.815 12.722 1.00 15.58 N ATOM 1603 CA LYS B 85 5.012 -19.568 12.907 1.00 16.60 C ATOM 1604 C LYS B 85 5.350 -21.036 13.054 1.00 19.50 C ATOM 1605 O LYS B 85 4.608 -21.758 13.781 1.00 18.31 O ATOM 1606 CB LYS B 85 4.053 -19.406 11.724 1.00 15.77 C ATOM 1607 CG LYS B 85 3.744 -17.931 11.305 1.00 17.41 C ATOM 1608 CD LYS B 85 3.097 -17.155 12.485 1.00 17.39 C ATOM 1609 CE LYS B 85 2.614 -15.792 12.018 1.00 17.32 C ATOM 1610 NZ LYS B 85 2.046 -15.090 13.233 1.00 21.32 N ATOM 1611 N LEU B 86 6.392 -21.512 12.363 1.00 17.16 N ATOM 1612 CA LEU B 86 6.760 -22.936 12.527 1.00 18.99 C ATOM 1613 C LEU B 86 7.387 -23.199 13.941 1.00 21.06 C ATOM 1614 O LEU B 86 7.076 -24.201 14.577 1.00 19.08 O ATOM 1615 CB LEU B 86 7.804 -23.370 11.449 1.00 18.93 C ATOM 1616 CG LEU B 86 7.268 -23.275 9.984 1.00 21.59 C ATOM 1617 CD1 LEU B 86 8.430 -23.613 8.958 1.00 27.63 C ATOM 1618 CD2 LEU B 86 6.115 -24.195 9.779 1.00 24.17 C ATOM 1619 N LYS B 87 8.236 -22.284 14.400 1.00 19.82 N ATOM 1620 CA LYS B 87 8.885 -22.419 15.729 1.00 21.21 C ATOM 1621 C LYS B 87 7.882 -22.419 16.845 1.00 20.67 C ATOM 1622 O LYS B 87 7.979 -23.263 17.759 1.00 20.37 O ATOM 1623 CB LYS B 87 9.872 -21.247 15.947 1.00 21.25 C ATOM 1624 CG LYS B 87 10.668 -21.329 17.293 1.00 27.95 C ATOM 1625 CD LYS B 87 11.605 -20.161 17.482 1.00 38.94 C ATOM 1626 CE LYS B 87 13.075 -20.548 17.196 1.00 47.39 C ATOM 1627 NZ LYS B 87 13.274 -20.899 15.729 1.00 52.34 N ATOM 1628 N VAL B 88 6.901 -21.498 16.827 1.00 19.68 N ATOM 1629 CA VAL B 88 5.934 -21.527 17.898 1.00 20.98 C ATOM 1630 C VAL B 88 5.034 -22.778 17.887 1.00 21.39 C ATOM 1631 O VAL B 88 4.264 -22.990 18.865 1.00 23.69 O ATOM 1632 CB VAL B 88 5.044 -20.255 18.007 1.00 22.36 C ATOM 1633 CG1 VAL B 88 5.972 -18.987 18.220 1.00 18.98 C ATOM 1634 CG2 VAL B 88 4.085 -20.091 16.759 1.00 20.82 C ATOM 1635 N ARG B 89 5.083 -23.556 16.815 1.00 19.05 N ATOM 1636 CA ARG B 89 4.274 -24.809 16.800 1.00 19.78 C ATOM 1637 C ARG B 89 5.184 -26.048 16.786 1.00 21.33 C ATOM 1638 O ARG B 89 4.697 -27.155 16.560 1.00 19.85 O ATOM 1639 CB ARG B 89 3.417 -24.800 15.576 1.00 19.73 C ATOM 1640 CG ARG B 89 2.312 -23.720 15.668 1.00 17.13 C ATOM 1641 CD ARG B 89 1.594 -23.707 14.378 1.00 16.23 C ATOM 1642 NE ARG B 89 0.410 -22.837 14.418 1.00 18.68 N ATOM 1643 CZ ARG B 89 0.397 -21.557 14.120 1.00 22.51 C ATOM 1644 NH1 ARG B 89 1.548 -20.858 13.831 1.00 18.52 N ATOM 1645 NH2 ARG B 89 -0.815 -20.950 14.155 1.00 17.11 N ATOM 1646 N GLY B 90 6.494 -25.849 17.079 1.00 21.96 N ATOM 1647 CA GLY B 90 7.495 -26.973 17.095 1.00 21.95 C ATOM 1648 C GLY B 90 7.665 -27.676 15.759 1.00 22.30 C ATOM 1649 O GLY B 90 8.094 -28.820 15.730 1.00 21.30 O ATOM 1650 N LEU B 91 7.411 -27.008 14.650 1.00 20.41 N ATOM 1651 CA LEU B 91 7.536 -27.595 13.357 1.00 23.44 C ATOM 1652 C LEU B 91 8.920 -27.325 12.702 1.00 26.12 C ATOM 1653 O LEU B 91 9.228 -26.198 12.299 1.00 28.57 O ATOM 1654 CB LEU B 91 6.401 -27.142 12.399 1.00 23.08 C ATOM 1655 CG LEU B 91 4.960 -27.357 12.907 1.00 23.41 C ATOM 1656 CD1 LEU B 91 3.918 -26.622 12.047 1.00 20.29 C ATOM 1657 CD2 LEU B 91 4.634 -28.859 12.907 1.00 26.41 C ATOM 1658 N GLN B 92 9.718 -28.356 12.503 1.00 25.39 N ATOM 1659 CA GLN B 92 11.036 -28.131 11.851 1.00 26.16 C ATOM 1660 C GLN B 92 10.963 -28.264 10.346 1.00 25.50 C ATOM 1661 O GLN B 92 10.603 -29.318 9.861 1.00 24.67 O ATOM 1662 CB GLN B 92 12.024 -29.147 12.444 1.00 27.30 C ATOM 1663 CG GLN B 92 12.136 -28.811 13.910 1.00 33.32 C ATOM 1664 CD GLN B 92 12.435 -29.988 14.784 1.00 40.97 C ATOM 1665 OE1 GLN B 92 12.017 -30.011 15.938 1.00 46.43 O ATOM 1666 NE2 GLN B 92 13.179 -30.961 14.270 1.00 41.30 N ATOM 1667 N PRO B 93 11.336 -27.213 9.578 1.00 27.28 N ATOM 1668 CA PRO B 93 11.115 -27.370 8.146 1.00 27.16 C ATOM 1669 C PRO B 93 11.940 -28.510 7.528 1.00 26.26 C ATOM 1670 O PRO B 93 11.575 -29.016 6.476 1.00 26.20 O ATOM 1671 CB PRO B 93 11.533 -25.976 7.543 1.00 28.39 C ATOM 1672 CG PRO B 93 12.030 -25.160 8.627 1.00 27.93 C ATOM 1673 CD PRO B 93 12.100 -25.977 9.893 1.00 28.98 C ATOM 1674 N GLU B 94 13.051 -28.914 8.142 1.00 25.29 N ATOM 1675 CA GLU B 94 13.740 -30.067 7.634 1.00 25.89 C ATOM 1676 C GLU B 94 13.028 -31.424 7.777 1.00 24.84 C ATOM 1677 O GLU B 94 13.432 -32.372 7.102 1.00 23.63 O ATOM 1678 CB GLU B 94 15.212 -30.173 8.097 1.00 26.77 C ATOM 1679 CG GLU B 94 15.412 -30.756 9.398 1.00 31.01 C ATOM 1680 CD GLU B 94 15.078 -29.775 10.506 1.00 39.07 C ATOM 1681 OE1 GLU B 94 14.757 -28.577 10.189 1.00 43.44 O ATOM 1682 OE2 GLU B 94 15.139 -30.223 11.689 1.00 41.32 O ATOM 1683 N CYS B 95 11.987 -31.490 8.610 1.00 23.50 N ATOM 1684 CA CYS B 95 11.155 -32.691 8.753 1.00 23.34 C ATOM 1685 C CYS B 95 9.819 -32.549 7.995 1.00 21.66 C ATOM 1686 O CYS B 95 8.958 -33.459 8.090 1.00 21.32 O ATOM 1687 CB CYS B 95 10.836 -32.947 10.248 1.00 22.29 C ATOM 1688 SG CYS B 95 12.309 -33.114 11.135 1.00 32.07 S ATOM 1689 N CYS B 96 9.641 -31.447 7.238 1.00 19.80 N ATOM 1690 CA CYS B 96 8.402 -31.107 6.603 1.00 19.52 C ATOM 1691 C CYS B 96 8.596 -30.790 5.101 1.00 22.05 C ATOM 1692 O CYS B 96 9.715 -30.323 4.703 1.00 21.23 O ATOM 1693 CB CYS B 96 7.851 -29.819 7.261 1.00 23.01 C ATOM 1694 SG CYS B 96 7.313 -30.164 8.937 1.00 24.12 S ATOM 1695 N ALA B 97 7.600 -31.151 4.299 1.00 20.72 N ATOM 1696 CA ALA B 97 7.445 -30.620 2.941 1.00 19.88 C ATOM 1697 C ALA B 97 6.381 -29.506 2.913 1.00 20.86 C ATOM 1698 O ALA B 97 5.411 -29.496 3.707 1.00 19.81 O ATOM 1699 CB ALA B 97 7.088 -31.739 1.949 1.00 20.35 C ATOM 1700 N VAL B 98 6.610 -28.538 2.020 1.00 17.55 N ATOM 1701 CA VAL B 98 5.670 -27.465 1.779 1.00 16.08 C ATOM 1702 C VAL B 98 5.240 -27.497 0.289 1.00 16.01 C ATOM 1703 O VAL B 98 6.074 -27.804 -0.620 1.00 16.59 O ATOM 1704 CB VAL B 98 6.234 -26.118 2.270 1.00 16.79 C ATOM 1705 CG1 VAL B 98 7.582 -25.753 1.577 1.00 18.13 C ATOM 1706 CG2 VAL B 98 5.159 -24.980 2.072 1.00 16.71 C ATOM 1707 N PHE B 99 3.935 -27.264 0.079 1.00 16.39 N ATOM 1708 CA PHE B 99 3.268 -27.436 -1.237 1.00 18.05 C ATOM 1709 C PHE B 99 2.429 -26.217 -1.523 1.00 17.99 C ATOM 1710 O PHE B 99 1.844 -25.607 -0.576 1.00 16.62 O ATOM 1711 CB PHE B 99 2.334 -28.622 -1.253 1.00 17.12 C ATOM 1712 CG PHE B 99 2.983 -29.951 -0.884 1.00 19.77 C ATOM 1713 CD1 PHE B 99 3.169 -30.286 0.465 1.00 20.06 C ATOM 1714 CD2 PHE B 99 3.315 -30.890 -1.888 1.00 19.69 C ATOM 1715 CE1 PHE B 99 3.746 -31.520 0.830 1.00 25.16 C ATOM 1716 CE2 PHE B 99 3.888 -32.189 -1.528 1.00 20.83 C ATOM 1717 CZ PHE B 99 4.102 -32.476 -0.184 1.00 22.51 C ATOM 1718 N ARG B 100 2.363 -25.825 -2.793 1.00 16.64 N ATOM 1719 CA ARG B 100 1.300 -24.892 -3.167 1.00 17.58 C ATOM 1720 C ARG B 100 0.076 -25.662 -3.613 1.00 17.71 C ATOM 1721 O ARG B 100 0.204 -26.727 -4.252 1.00 16.99 O ATOM 1722 CB ARG B 100 1.749 -23.853 -4.237 1.00 20.09 C ATOM 1723 CG ARG B 100 2.357 -24.368 -5.459 1.00 23.19 C ATOM 1724 CD ARG B 100 2.798 -23.093 -6.279 1.00 23.48 C ATOM 1725 NE ARG B 100 1.655 -22.452 -6.922 1.00 25.27 N ATOM 1726 CZ ARG B 100 1.322 -22.551 -8.219 1.00 29.40 C ATOM 1727 NH1 ARG B 100 2.039 -23.307 -9.119 1.00 24.90 N ATOM 1728 NH2 ARG B 100 0.257 -21.890 -8.634 1.00 24.42 N ATOM 1729 N LEU B 101 -1.109 -25.183 -3.193 1.00 14.80 N ATOM 1730 CA LEU B 101 -2.356 -25.793 -3.628 1.00 16.92 C ATOM 1731 C LEU B 101 -2.820 -25.285 -4.985 1.00 18.53 C ATOM 1732 O LEU B 101 -2.915 -24.086 -5.187 1.00 19.27 O ATOM 1733 CB LEU B 101 -3.461 -25.535 -2.599 1.00 16.43 C ATOM 1734 CG LEU B 101 -3.182 -26.005 -1.161 1.00 19.94 C ATOM 1735 CD1 LEU B 101 -4.274 -25.364 -0.223 1.00 22.86 C ATOM 1736 CD2 LEU B 101 -3.126 -27.572 -1.070 1.00 24.58 C ATOM 1737 N LEU B 102 -3.035 -26.200 -5.926 1.00 19.34 N ATOM 1738 CA LEU B 102 -3.311 -25.875 -7.324 1.00 22.70 C ATOM 1739 C LEU B 102 -4.798 -25.834 -7.549 1.00 24.69 C ATOM 1740 O LEU B 102 -5.363 -26.857 -7.880 1.00 27.92 O ATOM 1741 CB LEU B 102 -2.653 -26.907 -8.266 1.00 22.81 C ATOM 1742 CG LEU B 102 -1.115 -26.929 -8.264 1.00 24.84 C ATOM 1743 CD1 LEU B 102 -0.586 -27.950 -9.346 1.00 22.78 C ATOM 1744 CD2 LEU B 102 -0.497 -25.502 -8.423 1.00 22.48 C ATOM 1745 N HIS B 103 -5.415 -24.652 -7.408 1.00 24.65 N ATOM 1746 CA HIS B 103 -6.878 -24.544 -7.376 1.00 25.85 C ATOM 1747 C HIS B 103 -7.455 -24.918 -8.734 1.00 28.48 C ATOM 1748 O HIS B 103 -8.559 -25.392 -8.784 1.00 28.41 O ATOM 1749 CB HIS B 103 -7.303 -23.123 -6.944 1.00 24.66 C ATOM 1750 CG HIS B 103 -6.796 -22.760 -5.589 1.00 18.87 C ATOM 1751 ND1 HIS B 103 -6.909 -23.608 -4.505 1.00 16.89 N ATOM 1752 CD2 HIS B 103 -6.146 -21.674 -5.148 1.00 15.36 C ATOM 1753 CE1 HIS B 103 -6.381 -23.046 -3.439 1.00 17.97 C ATOM 1754 NE2 HIS B 103 -5.884 -21.876 -3.804 1.00 18.77 N ATOM 1755 N GLU B 104 -6.692 -24.746 -9.817 1.00 31.68 N ATOM 1756 CA GLU B 104 -7.182 -25.180 -11.162 1.00 35.24 C ATOM 1757 C GLU B 104 -7.262 -26.694 -11.286 1.00 36.01 C ATOM 1758 O GLU B 104 -8.147 -27.226 -11.953 1.00 37.51 O ATOM 1759 CB GLU B 104 -6.264 -24.690 -12.257 1.00 36.58 C ATOM 1760 CG GLU B 104 -6.081 -23.208 -12.315 1.00 40.30 C ATOM 1761 CD GLU B 104 -7.375 -22.503 -12.534 1.00 44.33 C ATOM 1762 OE1 GLU B 104 -8.109 -22.819 -13.514 1.00 46.44 O ATOM 1763 OE2 GLU B 104 -7.651 -21.619 -11.713 1.00 46.17 O ATOM 1764 N HIS B 105 -6.331 -27.384 -10.654 1.00 37.06 N ATOM 1765 CA HIS B 105 -6.209 -28.842 -10.754 1.00 38.93 C ATOM 1766 C HIS B 105 -6.787 -29.545 -9.549 1.00 38.83 C ATOM 1767 O HIS B 105 -6.120 -30.386 -8.917 1.00 38.10 O ATOM 1768 CB HIS B 105 -4.741 -29.211 -10.971 1.00 39.91 C ATOM 1769 CG HIS B 105 -4.177 -28.587 -12.200 1.00 42.35 C ATOM 1770 ND1 HIS B 105 -4.225 -29.205 -13.434 1.00 45.98 N ATOM 1771 CD2 HIS B 105 -3.637 -27.366 -12.408 1.00 43.67 C ATOM 1772 CE1 HIS B 105 -3.690 -28.407 -14.341 1.00 46.18 C ATOM 1773 NE2 HIS B 105 -3.334 -27.283 -13.745 1.00 46.31 N ATOM 1774 N LYS B 106 -8.035 -29.173 -9.236 1.00 39.18 N ATOM 1775 CA LYS B 106 -8.782 -29.715 -8.083 1.00 40.33 C ATOM 1776 C LYS B 106 -7.980 -29.691 -6.753 1.00 39.79 C ATOM 1777 O LYS B 106 -8.190 -30.516 -5.865 1.00 40.64 O ATOM 1778 CB LYS B 106 -9.280 -31.121 -8.409 1.00 41.08 C ATOM 1779 CG LYS B 106 -10.644 -31.493 -7.786 1.00 45.35 C ATOM 1780 CD LYS B 106 -11.862 -30.975 -8.578 1.00 47.52 C ATOM 1781 CE LYS B 106 -13.155 -31.233 -7.774 1.00 50.00 C ATOM 1782 NZ LYS B 106 -12.949 -30.724 -6.363 1.00 50.38 N ATOM 1783 N GLY B 107 -7.054 -28.748 -6.623 1.00 38.95 N ATOM 1784 CA GLY B 107 -6.281 -28.604 -5.387 1.00 37.47 C ATOM 1785 C GLY B 107 -5.016 -29.450 -5.258 1.00 36.77 C ATOM 1786 O GLY B 107 -4.366 -29.410 -4.199 1.00 36.15 O ATOM 1787 N LYS B 108 -4.671 -30.214 -6.320 1.00 34.92 N ATOM 1788 CA LYS B 108 -3.413 -30.972 -6.405 1.00 32.05 C ATOM 1789 C LYS B 108 -2.300 -30.170 -5.738 1.00 29.87 C ATOM 1790 O LYS B 108 -2.206 -28.935 -5.928 1.00 31.03 O ATOM 1791 CB LYS B 108 -3.098 -31.261 -7.883 1.00 32.48 C ATOM 1792 CG LYS B 108 -1.654 -31.660 -8.286 1.00 35.12 C ATOM 1793 CD LYS B 108 -1.606 -31.781 -9.852 1.00 37.30 C ATOM 1794 CE LYS B 108 -0.521 -32.732 -10.368 1.00 42.89 C ATOM 1795 NZ LYS B 108 0.813 -32.097 -10.392 1.00 46.37 N ATOM 1796 N LYS B 109 -1.448 -30.852 -4.976 1.00 25.53 N ATOM 1797 CA LYS B 109 -0.388 -30.214 -4.216 1.00 24.97 C ATOM 1798 C LYS B 109 0.879 -30.235 -5.043 1.00 22.86 C ATOM 1799 O LYS B 109 1.172 -31.269 -5.602 1.00 24.36 O ATOM 1800 CB LYS B 109 -0.193 -31.052 -2.963 1.00 24.08 C ATOM 1801 CG LYS B 109 -1.346 -30.832 -1.980 1.00 29.60 C ATOM 1802 CD LYS B 109 -1.030 -31.146 -0.522 1.00 33.24 C ATOM 1803 CE LYS B 109 -0.273 -32.398 -0.383 1.00 37.01 C ATOM 1804 NZ LYS B 109 -0.436 -32.902 1.009 1.00 39.05 N ATOM 1805 N ALA B 110 1.557 -29.101 -5.226 1.00 19.22 N ATOM 1806 CA ALA B 110 2.852 -29.078 -5.975 1.00 18.61 C ATOM 1807 C ALA B 110 3.949 -28.733 -4.964 1.00 18.07 C ATOM 1808 O ALA B 110 3.933 -27.650 -4.354 1.00 17.33 O ATOM 1809 CB ALA B 110 2.820 -28.020 -7.028 1.00 16.19 C ATOM 1810 N ARG B 111 4.910 -29.624 -4.811 1.00 17.84 N ATOM 1811 CA ARG B 111 5.903 -29.421 -3.809 1.00 18.65 C ATOM 1812 C ARG B 111 6.897 -28.253 -4.130 1.00 19.61 C ATOM 1813 O ARG B 111 7.409 -28.157 -5.259 1.00 17.06 O ATOM 1814 CB ARG B 111 6.646 -30.717 -3.511 1.00 20.77 C ATOM 1815 CG ARG B 111 7.494 -30.588 -2.236 1.00 20.59 C ATOM 1816 CD ARG B 111 8.055 -31.882 -1.838 1.00 28.08 C ATOM 1817 NE ARG B 111 9.065 -31.701 -0.795 1.00 24.25 N ATOM 1818 CZ ARG B 111 9.764 -32.704 -0.321 1.00 29.02 C ATOM 1819 NH1 ARG B 111 9.548 -33.909 -0.813 1.00 29.60 N ATOM 1820 NH2 ARG B 111 10.682 -32.504 0.625 1.00 28.67 N ATOM 1821 N LEU B 112 7.205 -27.433 -3.108 1.00 16.95 N ATOM 1822 CA LEU B 112 8.093 -26.272 -3.232 1.00 19.51 C ATOM 1823 C LEU B 112 9.367 -26.405 -2.411 1.00 18.98 C ATOM 1824 O LEU B 112 9.344 -27.005 -1.317 1.00 18.02 O ATOM 1825 CB LEU B 112 7.426 -24.989 -2.705 1.00 17.85 C ATOM 1826 CG LEU B 112 6.200 -24.520 -3.520 1.00 21.76 C ATOM 1827 CD1 LEU B 112 5.396 -23.471 -2.711 1.00 25.18 C ATOM 1828 CD2 LEU B 112 6.671 -23.862 -4.838 1.00 27.26 C ATOM 1829 N ASP B 113 10.451 -25.780 -2.890 1.00 17.18 N ATOM 1830 CA AASP B 113 11.693 -25.650 -2.079 0.50 18.83 C ATOM 1831 CA BASP B 113 11.670 -25.718 -2.068 0.50 18.79 C ATOM 1832 C ASP B 113 11.401 -24.682 -0.951 1.00 18.23 C ATOM 1833 O ASP B 113 10.739 -23.620 -1.175 1.00 16.23 O ATOM 1834 CB AASP B 113 12.831 -25.014 -2.896 0.50 20.13 C ATOM 1835 CB BASP B 113 12.897 -25.322 -2.918 0.50 20.61 C ATOM 1836 CG AASP B 113 14.217 -25.272 -2.286 0.50 22.53 C ATOM 1837 CG BASP B 113 13.291 -26.394 -3.914 0.50 22.24 C ATOM 1838 OD1AASP B 113 14.637 -24.675 -1.259 0.50 23.02 O ATOM 1839 OD1BASP B 113 13.772 -26.064 -5.026 0.50 30.71 O ATOM 1840 OD2AASP B 113 14.923 -26.087 -2.881 0.50 27.91 O ATOM 1841 OD2BASP B 113 13.127 -27.589 -3.604 0.50 29.97 O ATOM 1842 N TRP B 114 11.870 -25.002 0.271 1.00 17.33 N ATOM 1843 CA TRP B 114 11.806 -24.019 1.346 1.00 18.20 C ATOM 1844 C TRP B 114 12.461 -22.633 1.036 1.00 16.91 C ATOM 1845 O TRP B 114 12.103 -21.634 1.672 1.00 17.08 O ATOM 1846 CB TRP B 114 12.468 -24.577 2.625 1.00 17.05 C ATOM 1847 CG TRP B 114 11.528 -25.516 3.356 1.00 18.01 C ATOM 1848 CD1 TRP B 114 11.578 -26.856 3.405 1.00 23.31 C ATOM 1849 CD2 TRP B 114 10.323 -25.110 4.030 1.00 17.62 C ATOM 1850 NE1 TRP B 114 10.489 -27.352 4.172 1.00 23.79 N ATOM 1851 CE2 TRP B 114 9.719 -26.293 4.567 1.00 21.20 C ATOM 1852 CE3 TRP B 114 9.753 -23.844 4.327 1.00 17.01 C ATOM 1853 CZ2 TRP B 114 8.525 -26.268 5.297 1.00 18.82 C ATOM 1854 CZ3 TRP B 114 8.531 -23.803 5.048 1.00 19.25 C ATOM 1855 CH2 TRP B 114 7.929 -25.011 5.513 1.00 19.95 C ATOM 1856 N ASN B 115 13.448 -22.583 0.126 1.00 17.71 N ATOM 1857 CA AASN B 115 14.090 -21.356 -0.268 0.50 17.40 C ATOM 1858 CA BASN B 115 14.105 -21.322 -0.237 0.50 17.69 C ATOM 1859 C ASN B 115 13.357 -20.588 -1.381 1.00 18.44 C ATOM 1860 O ASN B 115 13.915 -19.652 -1.951 1.00 17.29 O ATOM 1861 CB AASN B 115 15.622 -21.590 -0.631 0.50 18.12 C ATOM 1862 CB BASN B 115 15.636 -21.572 -0.628 0.50 18.61 C ATOM 1863 CG AASN B 115 15.844 -22.393 -1.944 0.50 21.21 C ATOM 1864 CG BASN B 115 16.624 -20.371 -0.285 0.50 22.65 C ATOM 1865 OD1AASN B 115 17.016 -22.611 -2.400 0.50 19.73 O ATOM 1866 OD1BASN B 115 17.879 -20.462 -0.553 0.50 25.49 O ATOM 1867 ND2AASN B 115 14.747 -22.835 -2.562 0.50 19.94 N ATOM 1868 ND2BASN B 115 16.110 -19.293 0.312 0.50 21.46 N ATOM 1869 N THR B 116 12.101 -20.982 -1.749 1.00 16.38 N ATOM 1870 CA THR B 116 11.433 -20.290 -2.832 1.00 16.13 C ATOM 1871 C THR B 116 11.262 -18.836 -2.466 1.00 16.64 C ATOM 1872 O THR B 116 10.977 -18.546 -1.282 1.00 16.16 O ATOM 1873 CB THR B 116 10.026 -20.923 -3.016 1.00 14.32 C ATOM 1874 OG1 THR B 116 10.168 -22.315 -3.405 1.00 17.82 O ATOM 1875 CG2 THR B 116 9.229 -20.264 -4.104 1.00 18.91 C ATOM 1876 N ASP B 117 11.348 -17.914 -3.429 1.00 14.15 N ATOM 1877 CA ASP B 117 11.143 -16.464 -3.141 1.00 14.52 C ATOM 1878 C ASP B 117 9.720 -16.240 -2.677 1.00 16.82 C ATOM 1879 O ASP B 117 8.781 -16.630 -3.414 1.00 16.16 O ATOM 1880 CB ASP B 117 11.371 -15.692 -4.464 1.00 14.68 C ATOM 1881 CG ASP B 117 11.138 -14.244 -4.325 1.00 18.28 C ATOM 1882 OD1 ASP B 117 11.851 -13.615 -3.517 1.00 21.35 O ATOM 1883 OD2 ASP B 117 10.166 -13.731 -4.918 1.00 22.79 O ATOM 1884 N ALA B 118 9.523 -15.622 -1.504 1.00 15.98 N ATOM 1885 CA ALA B 118 8.128 -15.533 -0.936 1.00 16.27 C ATOM 1886 C ALA B 118 7.324 -14.541 -1.730 1.00 14.91 C ATOM 1887 O ALA B 118 6.135 -14.763 -1.911 1.00 15.52 O ATOM 1888 CB ALA B 118 8.137 -15.185 0.523 1.00 16.65 C ATOM 1889 N ALA B 119 7.928 -13.444 -2.195 1.00 15.95 N ATOM 1890 CA ALA B 119 7.172 -12.545 -3.043 1.00 17.97 C ATOM 1891 C ALA B 119 6.529 -13.197 -4.276 1.00 18.37 C ATOM 1892 O ALA B 119 5.390 -12.806 -4.617 1.00 18.34 O ATOM 1893 CB ALA B 119 7.937 -11.240 -3.394 1.00 20.08 C ATOM 1894 N SER B 120 7.215 -14.180 -4.882 1.00 18.44 N ATOM 1895 CA SER B 120 6.679 -14.975 -5.982 1.00 19.32 C ATOM 1896 C SER B 120 5.405 -15.734 -5.592 1.00 18.07 C ATOM 1897 O SER B 120 4.681 -16.169 -6.479 1.00 18.46 O ATOM 1898 CB SER B 120 7.701 -16.035 -6.393 1.00 20.23 C ATOM 1899 OG SER B 120 8.640 -15.249 -7.113 1.00 27.31 O ATOM 1900 N LEU B 121 5.233 -16.000 -4.289 1.00 17.13 N ATOM 1901 CA LEU B 121 4.113 -16.818 -3.761 1.00 16.45 C ATOM 1902 C LEU B 121 2.990 -15.978 -3.149 1.00 18.01 C ATOM 1903 O LEU B 121 2.061 -16.541 -2.587 1.00 16.78 O ATOM 1904 CB LEU B 121 4.602 -17.852 -2.746 1.00 17.14 C ATOM 1905 CG LEU B 121 5.633 -18.809 -3.331 1.00 18.77 C ATOM 1906 CD1 LEU B 121 6.187 -19.652 -2.110 1.00 21.77 C ATOM 1907 CD2 LEU B 121 4.992 -19.717 -4.345 1.00 20.60 C ATOM 1908 N ILE B 122 3.031 -14.660 -3.287 1.00 17.31 N ATOM 1909 CA ILE B 122 1.951 -13.848 -2.642 1.00 17.97 C ATOM 1910 C ILE B 122 0.646 -14.250 -3.268 1.00 19.58 C ATOM 1911 O ILE B 122 0.581 -14.406 -4.484 1.00 17.34 O ATOM 1912 CB ILE B 122 2.217 -12.339 -2.788 1.00 16.57 C ATOM 1913 CG1 ILE B 122 3.389 -11.876 -1.827 1.00 15.00 C ATOM 1914 CG2 ILE B 122 0.949 -11.434 -2.486 1.00 19.98 C ATOM 1915 CD1 ILE B 122 3.962 -10.415 -2.319 1.00 19.20 C ATOM 1916 N GLY B 123 -0.369 -14.413 -2.418 1.00 21.52 N ATOM 1917 CA GLY B 123 -1.653 -14.845 -2.895 1.00 23.84 C ATOM 1918 C GLY B 123 -1.743 -16.357 -3.103 1.00 24.28 C ATOM 1919 O GLY B 123 -2.859 -16.843 -3.297 1.00 23.23 O ATOM 1920 N GLU B 124 -0.625 -17.110 -3.054 1.00 17.63 N ATOM 1921 CA GLU B 124 -0.723 -18.561 -3.112 1.00 17.17 C ATOM 1922 C GLU B 124 -1.222 -19.125 -1.734 1.00 19.17 C ATOM 1923 O GLU B 124 -1.118 -18.454 -0.653 1.00 21.97 O ATOM 1924 CB GLU B 124 0.627 -19.181 -3.479 1.00 19.86 C ATOM 1925 CG GLU B 124 1.008 -18.847 -4.861 1.00 20.27 C ATOM 1926 CD GLU B 124 0.076 -19.503 -5.876 1.00 20.86 C ATOM 1927 OE1 GLU B 124 -0.032 -20.746 -5.894 1.00 27.20 O ATOM 1928 OE2 GLU B 124 -0.551 -18.805 -6.666 1.00 23.16 O ATOM 1929 N GLU B 125 -1.901 -20.247 -1.730 1.00 15.43 N ATOM 1930 CA GLU B 125 -2.273 -20.894 -0.412 1.00 15.90 C ATOM 1931 C GLU B 125 -1.433 -22.143 -0.332 1.00 15.27 C ATOM 1932 O GLU B 125 -1.396 -22.890 -1.290 1.00 15.77 O ATOM 1933 CB GLU B 125 -3.788 -21.225 -0.363 1.00 16.50 C ATOM 1934 CG GLU B 125 -4.661 -19.960 -0.341 1.00 19.26 C ATOM 1935 CD GLU B 125 -4.760 -19.250 -1.684 1.00 24.86 C ATOM 1936 OE1 GLU B 125 -4.586 -19.874 -2.771 1.00 16.81 O ATOM 1937 OE2 GLU B 125 -4.969 -18.010 -1.654 1.00 21.99 O ATOM 1938 N LEU B 126 -0.701 -22.336 0.779 1.00 14.89 N ATOM 1939 CA LEU B 126 0.278 -23.424 0.881 1.00 14.05 C ATOM 1940 C LEU B 126 -0.161 -24.397 1.931 1.00 16.11 C ATOM 1941 O LEU B 126 -1.058 -24.082 2.743 1.00 15.98 O ATOM 1942 CB LEU B 126 1.637 -22.834 1.355 1.00 14.78 C ATOM 1943 CG LEU B 126 2.094 -21.705 0.447 1.00 15.33 C ATOM 1944 CD1 LEU B 126 3.517 -21.113 0.983 1.00 14.38 C ATOM 1945 CD2 LEU B 126 2.142 -21.990 -1.135 1.00 15.39 C ATOM 1946 N GLN B 127 0.422 -25.585 1.884 1.00 17.68 N ATOM 1947 CA GLN B 127 0.157 -26.577 2.895 1.00 18.61 C ATOM 1948 C GLN B 127 1.497 -27.134 3.346 1.00 19.05 C ATOM 1949 O GLN B 127 2.368 -27.459 2.510 1.00 18.98 O ATOM 1950 CB GLN B 127 -0.670 -27.655 2.242 1.00 18.49 C ATOM 1951 CG GLN B 127 -0.821 -28.824 3.193 1.00 25.57 C ATOM 1952 CD GLN B 127 -2.225 -29.108 3.208 1.00 38.18 C ATOM 1953 OE1 GLN B 127 -2.939 -28.549 4.059 1.00 40.07 O ATOM 1954 NE2 GLN B 127 -2.710 -29.787 2.156 1.00 36.67 N ATOM 1955 N VAL B 128 1.682 -27.280 4.659 1.00 17.75 N ATOM 1956 CA VAL B 128 2.950 -27.910 5.179 1.00 14.78 C ATOM 1957 C VAL B 128 2.542 -29.280 5.760 1.00 17.52 C ATOM 1958 O VAL B 128 1.527 -29.352 6.493 1.00 17.02 O ATOM 1959 CB VAL B 128 3.610 -27.031 6.293 1.00 15.27 C ATOM 1960 CG1 VAL B 128 4.792 -27.721 7.010 1.00 13.82 C ATOM 1961 CG2 VAL B 128 4.067 -25.607 5.726 1.00 17.93 C ATOM 1962 N ASP B 129 3.272 -30.329 5.391 1.00 15.83 N ATOM 1963 CA ASP B 129 2.953 -31.692 5.825 1.00 18.42 C ATOM 1964 C ASP B 129 4.272 -32.249 6.363 1.00 16.82 C ATOM 1965 O ASP B 129 5.353 -31.909 5.853 1.00 19.15 O ATOM 1966 CB ASP B 129 2.615 -32.610 4.660 1.00 18.15 C ATOM 1967 CG ASP B 129 1.225 -32.330 4.000 1.00 26.39 C ATOM 1968 OD1 ASP B 129 0.306 -31.728 4.594 1.00 29.90 O ATOM 1969 OD2 ASP B 129 1.093 -32.778 2.857 1.00 33.84 O ATOM 1970 N PHE B 130 4.187 -33.226 7.278 1.00 17.94 N ATOM 1971 CA PHE B 130 5.400 -33.944 7.687 1.00 15.56 C ATOM 1972 C PHE B 130 5.819 -34.841 6.595 1.00 18.02 C ATOM 1973 O PHE B 130 4.967 -35.434 5.884 1.00 18.69 O ATOM 1974 CB PHE B 130 5.146 -34.799 8.975 1.00 13.97 C ATOM 1975 CG PHE B 130 4.888 -33.963 10.131 1.00 17.30 C ATOM 1976 CD1 PHE B 130 5.948 -33.239 10.678 1.00 16.57 C ATOM 1977 CD2 PHE B 130 3.561 -33.831 10.687 1.00 14.92 C ATOM 1978 CE1 PHE B 130 5.714 -32.413 11.834 1.00 17.13 C ATOM 1979 CE2 PHE B 130 3.361 -33.069 11.807 1.00 16.84 C ATOM 1980 CZ PHE B 130 4.482 -32.349 12.391 1.00 17.42 C ATOM 1981 N LEU B 131 7.139 -34.965 6.459 1.00 18.92 N ATOM 1982 CA LEU B 131 7.732 -36.086 5.734 1.00 20.53 C ATOM 1983 C LEU B 131 7.538 -37.432 6.510 1.00 21.69 C ATOM 1984 O LEU B 131 7.316 -37.555 7.739 1.00 20.23 O ATOM 1985 CB LEU B 131 9.225 -35.815 5.559 1.00 19.63 C ATOM 1986 CG LEU B 131 9.388 -34.566 4.673 1.00 23.43 C ATOM 1987 CD1 LEU B 131 10.853 -34.033 4.659 1.00 22.74 C ATOM 1988 CD2 LEU B 131 8.739 -34.823 3.225 1.00 23.77 C ATOM 1989 OXT LEU B 131 7.618 -38.504 5.880 1.00 19.87 O TER 1990 LEU B 131 HETATM 1991 PB GDP A 170 -1.294 -9.838 21.007 1.00 17.55 P HETATM 1992 O1B GDP A 170 -2.458 -9.627 22.029 1.00 17.45 O HETATM 1993 O2B GDP A 170 -1.279 -11.154 20.427 1.00 16.51 O HETATM 1994 O3B GDP A 170 -1.220 -8.734 19.930 1.00 18.43 O HETATM 1995 O3A GDP A 170 0.071 -9.639 21.893 1.00 16.95 O HETATM 1996 PA GDP A 170 1.330 -10.615 22.027 1.00 19.85 P HETATM 1997 O1A GDP A 170 1.945 -10.439 20.645 1.00 22.60 O HETATM 1998 O2A GDP A 170 1.037 -11.944 22.551 1.00 20.71 O HETATM 1999 O5' GDP A 170 2.199 -9.808 23.109 1.00 20.76 O HETATM 2000 C5' GDP A 170 2.513 -8.421 22.949 1.00 18.59 C HETATM 2001 C4' GDP A 170 3.808 -8.135 23.774 1.00 24.53 C HETATM 2002 O4' GDP A 170 3.563 -8.339 25.179 1.00 20.80 O HETATM 2003 C3' GDP A 170 4.892 -9.151 23.445 1.00 21.54 C HETATM 2004 O3' GDP A 170 6.194 -8.550 23.475 1.00 20.11 O HETATM 2005 C2' GDP A 170 4.873 -10.142 24.567 1.00 22.07 C HETATM 2006 O2' GDP A 170 6.175 -10.564 24.821 1.00 20.28 O HETATM 2007 C1' GDP A 170 4.405 -9.279 25.731 1.00 18.93 C HETATM 2008 N9 GDP A 170 3.602 -10.027 26.693 1.00 19.31 N HETATM 2009 C8 GDP A 170 2.537 -10.828 26.410 1.00 17.89 C HETATM 2010 N7 GDP A 170 2.058 -11.356 27.535 1.00 19.55 N HETATM 2011 C5 GDP A 170 2.867 -10.925 28.546 1.00 21.00 C HETATM 2012 C6 GDP A 170 2.967 -11.122 29.978 1.00 18.40 C HETATM 2013 O6 GDP A 170 2.116 -11.801 30.550 1.00 20.68 O HETATM 2014 N1 GDP A 170 3.937 -10.453 30.666 1.00 17.85 N HETATM 2015 C2 GDP A 170 4.867 -9.706 30.039 1.00 19.54 C HETATM 2016 N2 GDP A 170 5.823 -9.049 30.732 1.00 18.02 N HETATM 2017 N3 GDP A 170 4.841 -9.476 28.720 1.00 20.20 N HETATM 2018 C4 GDP A 170 3.860 -10.034 27.977 1.00 20.33 C HETATM 2019 MG MG A 171 -1.317 -11.782 18.492 1.00 19.60 MG HETATM 2020 CA CA B 172 -4.866 -17.778 -4.168 1.00 16.41 CA HETATM 2021 O HOH A 200 -29.444 -12.067 17.822 1.00 15.34 O HETATM 2022 O HOH A 201 1.161 -13.634 15.742 1.00 30.83 O HETATM 2023 O HOH A 202 -1.770 -9.814 17.777 1.00 17.84 O HETATM 2024 O HOH A 203 0.281 -0.737 41.143 1.00 29.16 O HETATM 2025 O HOH A 204 -3.318 -12.370 18.592 1.00 19.07 O HETATM 2026 O HOH A 205 0.247 -4.039 27.001 1.00 21.86 O HETATM 2027 O HOH A 206 8.320 -9.444 26.338 1.00 34.68 O HETATM 2028 O HOH A 207 -4.940 -3.953 41.814 1.00 18.70 O HETATM 2029 O HOH A 208 -6.750 -10.680 9.856 1.00 31.30 O HETATM 2030 O HOH A 209 -9.764 -15.519 6.287 1.00 20.92 O HETATM 2031 O HOH A 210 -2.418 3.150 29.692 1.00 28.54 O HETATM 2032 O HOH A 211 10.059 -19.681 27.100 1.00 24.36 O HETATM 2033 O HOH A 212 4.111 -17.206 24.842 1.00 19.77 O HETATM 2034 O HOH A 213 -9.332 -9.499 18.667 1.00 28.37 O HETATM 2035 O HOH A 214 -0.805 -21.874 34.125 1.00 33.02 O HETATM 2036 O HOH A 215 -3.152 -10.782 40.217 1.00 23.34 O HETATM 2037 O HOH A 216 -1.277 -3.430 24.613 1.00 26.23 O HETATM 2038 O HOH A 217 -6.956 -5.751 36.170 1.00 17.31 O HETATM 2039 O HOH A 218 -7.382 -12.658 7.654 1.00 36.62 O HETATM 2040 O HOH A 219 -6.889 -13.589 39.474 1.00 23.13 O HETATM 2041 O HOH A 220 -8.142 -5.787 24.965 1.00 19.71 O HETATM 2042 O HOH A 221 -2.462 -3.642 42.658 1.00 25.62 O HETATM 2043 O HOH A 222 -17.091 -15.642 38.818 1.00 38.15 O HETATM 2044 O HOH A 223 -0.912 -20.598 37.803 1.00 27.26 O HETATM 2045 O HOH A 224 -6.687 -19.632 39.456 1.00 37.36 O HETATM 2046 O HOH A 225 2.212 -12.421 12.302 1.00 26.02 O HETATM 2047 O HOH A 226 -8.676 -1.653 41.437 1.00 18.12 O HETATM 2048 O HOH A 227 4.205 -11.783 19.369 1.00 29.42 O HETATM 2049 O HOH A 228 -7.639 2.432 34.518 1.00 27.47 O HETATM 2050 O HOH A 229 -3.110 -13.421 39.254 1.00 26.34 O HETATM 2051 O HOH A 230 -14.315 -20.265 13.119 1.00 36.82 O HETATM 2052 O HOH A 231 0.740 -11.270 18.412 1.00 21.45 O HETATM 2053 O HOH A 232 8.252 -9.365 34.489 1.00 25.34 O HETATM 2054 O HOH A 233 -18.385 -16.646 32.920 1.00 23.96 O HETATM 2055 O HOH A 234 -16.632 -28.279 19.140 1.00 35.44 O HETATM 2056 O HOH A 235 -7.674 -13.005 12.890 1.00 32.46 O HETATM 2057 O HOH A 236 -2.883 -7.875 14.766 1.00 33.00 O HETATM 2058 O HOH A 237 8.210 -7.967 30.051 1.00 37.50 O HETATM 2059 O HOH A 238 -6.896 -15.836 13.504 1.00 37.33 O HETATM 2060 O HOH A 239 2.554 -16.119 17.969 1.00 40.86 O HETATM 2061 O HOH A 240 4.293 -15.940 15.519 1.00 39.33 O HETATM 2062 O HOH A 241 8.031 -4.582 36.425 1.00 36.74 O HETATM 2063 O HOH A 242 -0.260 -16.364 17.158 1.00 29.02 O HETATM 2064 O HOH A 243 5.643 -13.875 11.558 1.00 27.86 O HETATM 2065 O HOH A 244 -1.840 -0.743 23.768 1.00 42.54 O HETATM 2066 O HOH A 245 -14.487 -19.510 15.672 1.00 40.41 O HETATM 2067 O HOH A 246 0.127 -7.987 39.879 1.00 28.31 O HETATM 2068 O HOH A 247 -11.267 -16.834 7.918 1.00 38.36 O HETATM 2069 O HOH A 248 -23.815 -19.460 17.934 1.00 31.99 O HETATM 2070 O HOH A 249 -23.126 -21.832 15.966 1.00 47.65 O HETATM 2071 O HOH A 250 -5.902 -2.907 18.726 1.00 34.19 O HETATM 2072 O HOH A 251 -4.023 3.193 27.233 1.00 47.26 O HETATM 2073 O HOH A 252 -0.453 -10.011 41.100 1.00 40.50 O HETATM 2074 O HOH A 253 10.275 -15.861 21.727 1.00 46.60 O HETATM 2075 O HOH A 254 -17.833 -11.698 38.080 1.00 30.70 O HETATM 2076 O HOH A 255 9.167 -16.735 30.444 1.00 33.75 O HETATM 2077 O HOH A 256 0.516 0.714 27.639 1.00 44.74 O HETATM 2078 O HOH A 257 -9.189 -11.980 10.680 1.00 52.43 O HETATM 2079 O HOH A 258 -16.296 -29.854 34.244 1.00 34.30 O HETATM 2080 O HOH A 259 -21.640 -25.568 26.441 1.00 38.30 O HETATM 2081 O HOH A 260 -3.565 -1.939 21.811 1.00 33.18 O HETATM 2082 O HOH A 261 -15.744 -0.950 24.253 1.00 32.48 O HETATM 2083 O HOH A 262 -22.854 -6.737 28.886 1.00 45.30 O HETATM 2084 O HOH A 263 -6.512 -0.582 23.103 1.00 35.40 O HETATM 2085 O HOH A 264 -6.133 -16.507 40.720 1.00 47.17 O HETATM 2086 O HOH A 265 -15.381 -10.513 39.621 1.00 29.92 O HETATM 2087 O HOH A 266 -14.546 -1.343 36.360 1.00 24.90 O HETATM 2088 O HOH A 267 -17.966 -19.060 34.951 1.00 26.08 O HETATM 2089 O HOH A 268 10.970 -16.818 23.726 1.00 16.47 O HETATM 2090 O HOH A 269 0.639 -31.799 24.043 1.00 47.30 O HETATM 2091 O HOH A 270 -13.522 -16.357 38.307 1.00 33.75 O HETATM 2092 O HOH A 271 1.274 -26.488 32.294 1.00 51.12 O HETATM 2093 O HOH A 272 -2.046 -7.645 11.851 1.00 32.59 O HETATM 2094 O HOH A 273 -21.059 -22.097 23.673 1.00 22.16 O HETATM 2095 O HOH A 274 3.403 -3.758 29.110 1.00 32.41 O HETATM 2096 O HOH A 275 -4.044 -8.597 18.124 1.00 36.87 O HETATM 2097 O HOH A 276 -2.393 -5.448 13.370 1.00 44.82 O HETATM 2098 O HOH A 277 -4.021 -7.799 9.439 1.00 43.80 O HETATM 2099 O HOH A 278 -8.426 -24.437 36.074 1.00 48.44 O HETATM 2100 O HOH A 279 -21.498 -12.432 11.637 1.00 30.99 O HETATM 2101 O HOH A 280 -11.148 -6.041 5.522 1.00 32.34 O HETATM 2102 O HOH A 281 -17.212 -32.655 20.679 1.00 53.64 O HETATM 2103 O HOH A 282 -5.461 -10.510 45.187 1.00 42.59 O HETATM 2104 O HOH A 283 -9.728 4.300 26.142 1.00 37.63 O HETATM 2105 O HOH A 284 4.556 -5.767 27.629 1.00 38.76 O HETATM 2106 O HOH A 285 -7.726 -4.909 8.607 1.00 35.64 O HETATM 2107 O HOH A 286 6.610 -5.198 38.299 1.00 36.75 O HETATM 2108 O HOH A 287 -22.492 -10.199 42.015 1.00 47.79 O HETATM 2109 O HOH A 288 11.392 -17.426 25.503 1.00 34.20 O HETATM 2110 O HOH A 289 -19.602 -3.988 39.416 1.00 35.89 O HETATM 2111 O HOH A 290 3.294 -23.341 30.021 1.00 30.54 O HETATM 2112 O HOH A 291 -10.216 -13.106 8.125 1.00 47.62 O HETATM 2113 O HOH A 292 2.422 -4.508 23.718 1.00 38.27 O HETATM 2114 O HOH A 293 1.297 -25.371 28.748 1.00 34.71 O HETATM 2115 O HOH A 294 -22.294 -31.250 28.217 1.00 45.08 O HETATM 2116 O HOH A 295 -10.663 -29.531 16.320 1.00 33.37 O HETATM 2117 O HOH A 296 8.862 -6.858 20.402 1.00 44.13 O HETATM 2118 O HOH A 297 1.831 -1.709 27.222 1.00 23.42 O HETATM 2119 O HOH A 298 -23.646 -27.966 28.866 1.00 50.98 O HETATM 2120 O HOH A 299 -8.473 5.361 30.386 1.00 29.40 O HETATM 2121 O HOH A 300 -3.965 -5.957 45.159 1.00 48.87 O HETATM 2122 O HOH A 301 0.476 -6.976 44.349 1.00 50.51 O HETATM 2123 O HOH A 302 -2.899 -6.955 43.585 1.00 45.49 O HETATM 2124 O HOH A 303 -4.050 -5.036 46.877 1.00 44.78 O HETATM 2125 O HOH A 304 -14.421 -34.406 33.688 1.00 40.67 O HETATM 2126 O HOH A 305 -23.829 -30.490 29.700 1.00 30.75 O HETATM 2127 O HOH A 306 -6.976 -2.917 10.133 1.00 48.04 O HETATM 2128 O HOH B 200 -5.280 -26.884 8.493 1.00 30.64 O HETATM 2129 O HOH B 201 -2.172 -33.429 -5.415 1.00 32.74 O HETATM 2130 O HOH B 202 -3.415 -22.355 -7.559 1.00 27.22 O HETATM 2131 O HOH B 203 2.519 -34.835 2.004 1.00 26.50 O HETATM 2132 O HOH B 204 10.439 -12.318 -1.489 1.00 18.86 O HETATM 2133 O HOH B 205 -2.251 -21.501 -4.363 1.00 16.29 O HETATM 2134 O HOH B 206 9.048 -29.063 0.393 1.00 17.22 O HETATM 2135 O HOH B 207 6.521 -13.116 7.970 1.00 23.86 O HETATM 2136 O HOH B 208 7.835 -5.594 0.436 1.00 32.59 O HETATM 2137 O HOH B 209 8.693 -30.898 13.253 1.00 26.09 O HETATM 2138 O HOH B 210 4.922 -32.031 -6.249 1.00 36.26 O HETATM 2139 O HOH B 211 -0.570 -14.284 11.633 1.00 18.51 O HETATM 2140 O HOH B 212 -8.367 -25.941 -4.445 1.00 38.30 O HETATM 2141 O HOH B 213 10.926 -24.531 13.679 1.00 42.59 O HETATM 2142 O HOH B 214 -0.547 -31.071 7.102 1.00 38.87 O HETATM 2143 O HOH B 215 4.729 -10.567 -5.982 1.00 43.41 O HETATM 2144 O HOH B 216 13.560 -27.385 0.424 1.00 26.83 O HETATM 2145 O HOH B 217 -2.588 -16.519 0.340 1.00 33.51 O HETATM 2146 O HOH B 218 6.633 -16.317 10.601 1.00 26.85 O HETATM 2147 O HOH B 219 0.271 -30.811 19.721 1.00 35.37 O HETATM 2148 O HOH B 220 4.893 -15.348 -9.322 1.00 35.04 O HETATM 2149 O HOH B 221 2.203 -28.037 16.255 1.00 21.61 O HETATM 2150 O HOH B 222 -7.524 -19.819 1.768 1.00 15.61 O HETATM 2151 O HOH B 223 3.596 -12.560 9.586 1.00 22.87 O HETATM 2152 O HOH B 224 -7.422 -25.180 9.234 1.00 46.67 O HETATM 2153 O HOH B 225 9.749 -24.489 19.144 1.00 33.30 O HETATM 2154 O HOH B 226 15.071 -14.626 8.381 1.00 39.39 O HETATM 2155 O HOH B 227 -9.012 -18.836 7.794 1.00 40.57 O HETATM 2156 O HOH B 228 1.290 -36.469 3.886 1.00 44.24 O HETATM 2157 O HOH B 229 -4.038 -23.731 -9.964 1.00 25.72 O HETATM 2158 O HOH B 230 9.388 -15.628 10.480 1.00 31.48 O HETATM 2159 O HOH B 231 14.245 -35.366 7.266 1.00 33.10 O HETATM 2160 O HOH B 232 -9.330 -19.504 11.068 1.00 45.43 O HETATM 2161 O HOH B 233 7.585 -41.052 2.133 1.00 54.48 O HETATM 2162 O HOH B 234 13.369 -33.180 15.837 1.00 25.25 O HETATM 2163 O HOH B 235 0.314 -28.449 17.954 1.00 45.97 O HETATM 2164 O HOH B 236 14.389 -7.259 -3.712 1.00 33.32 O HETATM 2165 O HOH B 237 -1.211 -16.199 -6.421 1.00 25.08 O HETATM 2166 O HOH B 238 15.865 -18.857 3.676 1.00 24.70 O HETATM 2167 O HOH B 239 1.342 -33.954 7.807 1.00 26.59 O HETATM 2168 O HOH B 240 11.525 -29.961 1.595 1.00 32.83 O HETATM 2169 O HOH B 241 7.425 -11.700 9.724 1.00 43.68 O HETATM 2170 O HOH B 242 -4.110 -16.439 -5.920 1.00 19.94 O HETATM 2171 O HOH B 243 8.252 -38.410 3.014 1.00 29.90 O HETATM 2172 O HOH B 244 2.494 -9.177 -5.979 1.00 55.15 O HETATM 2173 O HOH B 245 2.086 -15.501 -6.844 1.00 39.35 O HETATM 2174 O HOH B 246 12.078 -34.893 1.032 1.00 36.38 O HETATM 2175 O HOH B 247 -2.230 -19.789 -7.918 1.00 35.96 O HETATM 2176 O HOH B 248 2.311 -36.006 6.179 1.00 24.57 O HETATM 2177 O HOH B 249 -3.825 -19.382 -5.436 1.00 13.56 O HETATM 2178 O HOH B 250 4.936 -34.934 3.043 1.00 30.43 O HETATM 2179 O HOH B 251 -1.373 -33.589 11.637 1.00 16.93 O HETATM 2180 O HOH B 252 -1.618 -33.103 18.631 1.00 26.72 O HETATM 2181 O HOH B 253 -4.965 -13.700 -4.851 1.00 36.98 O HETATM 2182 O HOH B 254 9.712 -12.091 -6.724 1.00 50.13 O HETATM 2183 O HOH B 255 -0.999 -9.398 -0.379 1.00 43.71 O HETATM 2184 O HOH B 256 -3.936 -30.700 9.377 1.00 33.15 O HETATM 2185 O HOH B 257 -6.017 -29.316 -2.111 1.00 36.58 O HETATM 2186 O HOH B 258 -0.078 -25.886 18.132 1.00 34.29 O HETATM 2187 O HOH B 259 4.266 -7.168 4.013 1.00 44.68 O HETATM 2188 O HOH B 260 -4.464 -32.856 10.542 1.00 37.72 O HETATM 2189 O HOH B 261 -7.032 -33.135 8.889 1.00 47.85 O HETATM 2190 O HOH B 262 -2.314 -7.966 1.303 1.00 53.02 O HETATM 2191 O HOH B 263 -2.241 -6.821 -0.961 1.00 49.16 O HETATM 2192 O HOH B 264 11.053 -10.789 -5.264 1.00 34.54 O HETATM 2193 O HOH B 265 -2.699 -11.919 -0.970 1.00 37.95 O HETATM 2194 O HOH B 266 12.510 -30.249 4.142 1.00 29.89 O HETATM 2195 O HOH B 267 1.668 -7.143 2.526 1.00 51.32 O HETATM 2196 O HOH B 268 5.943 -7.068 -0.512 1.00 43.22 O HETATM 2197 O HOH B 269 8.500 -13.467 -9.068 1.00 43.80 O HETATM 2198 O HOH B 270 -1.479 -31.318 -13.163 1.00 48.38 O HETATM 2199 O HOH B 271 11.385 -29.569 -3.103 1.00 42.40 O HETATM 2200 O HOH B 272 14.839 -23.680 -5.011 1.00 53.71 O HETATM 2201 O HOH B 273 0.715 -7.751 6.589 1.00 36.87 O CONECT 1991 1992 1993 1994 1995 CONECT 1992 1991 CONECT 1993 1991 CONECT 1994 1991 CONECT 1995 1991 1996 CONECT 1996 1995 1997 1998 1999 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1996 2000 CONECT 2000 1999 2001 CONECT 2001 2000 2002 2003 CONECT 2002 2001 2007 CONECT 2003 2001 2004 2005 CONECT 2004 2003 CONECT 2005 2003 2006 2007 CONECT 2006 2005 CONECT 2007 2002 2005 2008 CONECT 2008 2007 2009 2018 CONECT 2009 2008 2010 CONECT 2010 2009 2011 CONECT 2011 2010 2012 2018 CONECT 2012 2011 2013 2014 CONECT 2013 2012 CONECT 2014 2012 2015 CONECT 2015 2014 2016 2017 CONECT 2016 2015 CONECT 2017 2015 2018 CONECT 2018 2008 2011 2017 MASTER 384 0 3 11 11 0 10 6 2157 2 28 20 END
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Related entries of code: 3kuc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1gua
RCSB PDB
PDBbind
81aa, >1GUA_2|Chain... *
3kud
RCSB PDB
PDBbind
81aa, >3KUD_2|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3kuc
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Ras-related protein Rap-1A(E30D/K31E)GDP
Ligand Name
RafRBD(A85K/N71R)
EC.Number
E.C.2.7.11.1
Resolution
1.92(Å)
Affinity (Kd/Ki/IC50)
Kd=0.442uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Mol.Biol. Vol. 399: pp. 422-435
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):
P04049
P62834
Entrez Gene ID
NCBI Entrez Gene ID:
5894
5906
ASD
Information of known allosteric effects of PDB entries
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