HEADER OXIDOREDUCTASE 01-FEB-05 1YQ3 TITLE AVIAN RESPIRATORY COMPLEX II WITH OXALOACETATE AND TITLE 2 UBIQUINONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUCCINATE DEHYDROGENASE FLAVOPROTEIN SUBUNIT; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FP, FLAVOPROTEIN SUBUNIT OF COMPLEX II; COMPND 5 EC: 1.3.5.1; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: SUCCINATE DEHYDROGENASE IP SUBUNIT; COMPND 8 CHAIN: B; COMPND 9 EC: 1.3.5.1; COMPND 10 MOL_ID: 3; COMPND 11 MOLECULE: SUCCINATE DEHYDROGENASE CYTOCHROME B, LARGE COMPND 12 SUBUNIT; COMPND 13 CHAIN: C; COMPND 14 EC: 1.3.5.1; COMPND 15 MOL_ID: 4; COMPND 16 MOLECULE: SUCCINATE DEHYDROGENASE CYTOCHROME B, SMALL COMPND 17 SUBUNIT; COMPND 18 CHAIN: D; COMPND 19 EC: 1.3.5.1 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 6 ORGANISM_COMMON: CHICKEN; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 9 ORGANISM_COMMON: CHICKEN; SOURCE 10 MOL_ID: 4; SOURCE 11 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 12 ORGANISM_COMMON: CHICKEN KEYWDS COMPLEX II, MEMBRANE PROTEIN, HEME PROTEIN, IRON SULFUR KEYWDS 2 PROTEIN, CYTOCHROME B, OXIDOREDUCTASE, REDOX ENZYME, KEYWDS 3 RESPIRATORY CHAIN, OXALOACETATE UBIQUINONE EXPDTA X-RAY DIFFRACTION AUTHOR L.HUANG,D.COBESSI,E.Y.TUNG,E.A.BERRY JRNL AUTH L.HUANG,D.COBESSI,E.Y.TUNG,E.A.BERRY JRNL TITL 3-NITROPROPIONIC ACID: A SUICIDE INHIBITOR OF JRNL TITL 2 MITOCHONDRIAL COMPLEX II JRNL REF TO BE PUBLISHED REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.66 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 2632288.580 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.2 REMARK 3 NUMBER OF REFLECTIONS : 78719 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.227 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 3842 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 25 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 58.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1926 REMARK 3 BIN R VALUE (WORKING SET) : 0.2810 REMARK 3 BIN FREE R VALUE : 0.2980 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 101 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.030 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 8510 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 239 REMARK 3 SOLVENT ATOMS : 849 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 34.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.65000 REMARK 3 B22 (A**2) : 15.39000 REMARK 3 B33 (A**2) : -18.04000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM SIGMAA (A) : 0.25 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.32 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.024 REMARK 3 BOND ANGLES (DEGREES) : 2.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.68 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.31 REMARK 3 BSOL : 75.48 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : SQRPROSTHW4.PAR REMARK 3 PARAMETER FILE 3 : FAD.PAR REMARK 3 PARAMETER FILE 4 : WATER.PARAM REMARK 3 PARAMETER FILE 5 : FRE.PAR REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : &_1_TOPOLOGY_INFILE_1 REMARK 3 TOPOLOGY FILE 2 : &_1_TOPOLOGY_INFILE_2 REMARK 3 TOPOLOGY FILE 3 : &_1_TOPOLOGY_INFILE_3 REMARK 3 TOPOLOGY FILE 4 : &_1_TOPOLOGY_INFILE_4 REMARK 3 TOPOLOGY FILE 5 : &_1_TOPOLOGY_INFILE_5 REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1YQ3 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-FEB-2005. REMARK 100 THE RCSB ID CODE IS RCSB031797. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-MAY-2004 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 7.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : 9-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979462 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 79236 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.190 REMARK 200 RESOLUTION RANGE LOW (A) : 99.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 87.5 REMARK 200 DATA REDUNDANCY : 4.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.11900 REMARK 200 FOR THE DATA SET : 11.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.19 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.27 REMARK 200 COMPLETENESS FOR SHELL (%) : 49.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.27000 REMARK 200 FOR SHELL : 2.610 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1NEK REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.49 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50 G/L PEG-3350, 25 ML/L REMARK 280 ISOPROPANOL,15 ML/L PEG-400 0.05 M NA-HEPES, 0.01 M TRIS-HCL, REMARK 280 0.0016 M MNCL2, 0.0013 M MGCL2, 0.0015 M NA-AZIDE, 0.00025 M REMARK 280 NA-EDTA, OXALOACETATE , PH 7.50, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 278K 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 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-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 35.00400 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 144.74800 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.19900 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 144.74800 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 35.00400 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.19900 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 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 4 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: A, B, C, D 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 SER A 1 REMARK 465 THR A 2 REMARK 465 LYS A 3 REMARK 465 VAL A 4 REMARK 465 SER A 5 REMARK 465 ASP A 6 REMARK 465 SER A 7 REMARK 465 ALA B 1 REMARK 465 GLN B 2 REMARK 465 THR B 3 REMARK 465 ALA B 4 REMARK 465 ALA B 5 REMARK 465 GLU B 247 REMARK 465 LYS B 248 REMARK 465 ALA B 249 REMARK 465 ALA B 250 REMARK 465 ALA B 251 REMARK 465 ALA B 252 REMARK 465 MET C 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ILE A 8 CG1 CG2 CD1 REMARK 470 SER A 10 OG REMARK 470 LYS B 136 CG CD CE NZ 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 REMARK 500 O2 OAA 2 O1 UNL 3 1.39 REMARK 500 NE2 HIS A 56 C8M FAD 201 1.46 REMARK 500 N5 FAD 201 O1 UNL 4 1.57 REMARK 500 C4A FAD 201 O1 UNL 4 1.58 REMARK 500 NH2 ARG A 302 O GLY A 547 2.03 REMARK 500 C3 OAA 2 O1 UNL 4 2.04 REMARK 500 CB THR A 120 O HOH 1107 2.06 REMARK 500 N ALA A 411 O1 UNL 3 2.09 REMARK 500 CE1 HIS A 56 C8M FAD 201 2.18 REMARK 500 O3 OAA 2 O1 UNL 4 2.18 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),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 MET A 115 SD MET A 115 CE -0.440 REMARK 500 MET A 236 SD MET A 236 CE -0.214 REMARK 500 MET A 284 SD MET A 284 CE -0.223 REMARK 500 PRO A 390 CB PRO A 390 CG 0.165 REMARK 500 CYS A 501 CB CYS A 501 SG 0.172 REMARK 500 THR B 96 CB THR B 96 CG2 -0.142 REMARK 500 LYS B 98 CD LYS B 98 CE 0.145 REMARK 500 MET B 185 SD MET B 185 CE 0.165 REMARK 500 MET B 241 SD MET B 241 CE -0.177 REMARK 500 MET C 38 SD MET C 38 CE -0.229 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: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER A 9 N - CA - C ANGL. DEV. = 15.5 DEGREES REMARK 500 GLN A 11 N - CA - C ANGL. DEV. =-14.3 DEGREES REMARK 500 PHE A 51 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 PRO A 52 N - CA - C ANGL. DEV. = 13.5 DEGREES REMARK 500 GLY A 140 N - CA - C ANGL. DEV. = 13.1 DEGREES REMARK 500 GLY A 214 C - N - CA ANGL. DEV. =-14.3 DEGREES REMARK 500 THR A 255 N - CA - C ANGL. DEV. = 15.9 DEGREES REMARK 500 GLY A 256 N - CA - C ANGL. DEV. =-13.2 DEGREES REMARK 500 ALA A 401 CA - C - N ANGL. DEV. =-14.9 DEGREES REMARK 500 SER A 402 C - N - CA ANGL. DEV. = 21.0 DEGREES REMARK 500 CYS A 501 CA - CB - SG ANGL. DEV. = 14.0 DEGREES REMARK 500 ASP A 588 N - CA - C ANGL. DEV. =-14.6 DEGREES REMARK 500 ASN B 53 C - N - CA ANGL. DEV. =-13.1 DEGREES REMARK 500 PHE B 210 N - CA - C ANGL. DEV. = 13.4 DEGREES 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 M RES CSSEQI PSI PHI REMARK 500 THR B 8 90.94 121.12 REMARK 500 ASP B 110 -113.81 36.10 REMARK 500 SER D 3 -131.73 115.13 REMARK 525 REMARK 525 SOLVENT REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH 1417 DISTANCE = 5.23 ANGSTROMS REMARK 525 HOH 1830 DISTANCE = 6.92 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1YQ4 RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE 1-71 OF SUCCINATE DEHYDROGENASE FP SUBUNIT DO NOT REMARK 999 MATCH TO ANY OF THE DATABASE SEQUENCE. REMARK 999 THE SEQUENCE OF SUCCINATE DEHYDROGENASE CYTOCHROME B, LARGE REMARK 999 SUBUNIT IS NOT AVAILABLE IN ANY OF THE DATABASE SEQUENCE AT REMARK 999 THE TIME OF PROCESSING. DBREF 1YQ3 A 71 122 GB 50736125 XP_419054 1 52 DBREF 1YQ3 A 123 621 GB 3851616 AAC72374 1 499 DBREF 1YQ3 B 1 252 GB 3851612 AAC72372 39 290 DBREF 1YQ3 D 1 103 GB 57530492 NP_001006321 55 157 SEQRES 1 A 621 SER THR LYS VAL SER ASP SER ILE SER SER GLN TYR PRO SEQRES 2 A 621 VAL VAL ASP HIS GLU PHE ASP ALA VAL VAL VAL GLY ALA SEQRES 3 A 621 GLY GLY ALA GLY LEU ARG ALA ALA PHE GLY LEU SER GLU SEQRES 4 A 621 ALA GLY PHE ASN THR ALA CYS VAL THR LYS LEU PHE PRO SEQRES 5 A 621 THR ARG SER HIS THR VAL ALA ALA GLN GLY GLY ILE ASN SEQRES 6 A 621 ALA ALA LEU GLY ASN MET GLU ASP ASP ASN TRP ARG TRP SEQRES 7 A 621 HIS PHE TYR ASP THR VAL LYS GLY SER ASP TRP LEU GLY SEQRES 8 A 621 ASP GLN ASP ALA ILE HIS TYR MET THR GLU GLN ALA PRO SEQRES 9 A 621 ALA ALA VAL ILE GLU LEU GLU ASN TYR GLY MET PRO PHE SEQRES 10 A 621 SER ARG THR GLU GLU GLY LYS ILE TYR GLN ARG ALA PHE SEQRES 11 A 621 GLY GLY GLN SER LEU GLN PHE GLY LYS GLY GLY GLN ALA SEQRES 12 A 621 HIS ARG CYS CYS CYS VAL ALA ASP ARG THR GLY HIS SER SEQRES 13 A 621 LEU LEU HIS THR LEU TYR GLY ARG SER LEU ARG TYR ASP SEQRES 14 A 621 THR SER TYR PHE VAL GLU TYR PHE ALA LEU ASP LEU LEU SEQRES 15 A 621 MET GLU ASN GLY GLU CYS ARG GLY VAL ILE ALA LEU CYS SEQRES 16 A 621 ILE GLU ASP GLY THR ILE HIS ARG PHE ARG ALA LYS ASN SEQRES 17 A 621 THR VAL ILE ALA THR GLY GLY TYR GLY ARG THR TYR PHE SEQRES 18 A 621 SER CYS THR SER ALA HIS THR SER THR GLY ASP GLY THR SEQRES 19 A 621 ALA MET VAL THR ARG ALA GLY LEU PRO CYS GLN ASP LEU SEQRES 20 A 621 GLU PHE VAL GLN PHE HIS PRO THR GLY ILE TYR GLY ALA SEQRES 21 A 621 GLY CYS LEU ILE THR GLU GLY CYS ARG GLY GLU GLY GLY SEQRES 22 A 621 ILE LEU ILE ASN SER GLN GLY GLU ARG PHE MET GLU ARG SEQRES 23 A 621 TYR ALA PRO VAL ALA LYS ASP LEU ALA SER ARG ASP VAL SEQRES 24 A 621 VAL SER ARG SER MET THR ILE GLU ILE ARG GLU GLY ARG SEQRES 25 A 621 GLY CYS GLY PRO GLU LYS ASP HIS VAL TYR LEU GLN LEU SEQRES 26 A 621 HIS HIS LEU PRO PRO GLN GLN LEU ALA THR ARG LEU PRO SEQRES 27 A 621 GLY ILE SER GLU THR ALA MET ILE PHE ALA GLY VAL ASP SEQRES 28 A 621 VAL THR LYS GLU PRO ILE PRO VAL LEU PRO THR VAL HIS SEQRES 29 A 621 TYR ASN MET GLY GLY ILE PRO THR ASN TYR LYS GLY GLN SEQRES 30 A 621 VAL ILE THR HIS VAL ASN GLY GLU ASP LYS VAL VAL PRO SEQRES 31 A 621 GLY LEU TYR ALA CYS GLY GLU ALA ALA SER ALA SER VAL SEQRES 32 A 621 HIS GLY ALA ASN ARG LEU GLY ALA ASN SER LEU LEU ASP SEQRES 33 A 621 LEU VAL VAL PHE GLY ARG ALA CYS ALA LEU THR ILE ALA SEQRES 34 A 621 GLU THR CYS LYS PRO GLY GLU PRO VAL PRO SER ILE LYS SEQRES 35 A 621 PRO ASN ALA GLY GLU GLU SER VAL ALA ASN LEU ASP LYS SEQRES 36 A 621 LEU ARG PHE ALA ASP GLY THR ILE ARG THR SER GLU ALA SEQRES 37 A 621 ARG LEU ASN MET GLN LYS THR MET GLN SER HIS ALA ALA SEQRES 38 A 621 VAL PHE ARG THR GLY SER ILE LEU GLN GLU GLY CYS GLU SEQRES 39 A 621 LYS LEU SER GLN ILE TYR CYS ASP LEU ALA HIS LEU LYS SEQRES 40 A 621 THR PHE ASP ARG GLY ILE VAL TRP ASN THR ASP LEU VAL SEQRES 41 A 621 GLU THR LEU GLU LEU GLN ASN LEU MET LEU CYS ALA LEU SEQRES 42 A 621 GLN THR ILE TYR GLY ALA GLU ALA ARG LYS GLU SER ARG SEQRES 43 A 621 GLY ALA HIS ALA ARG GLU ASP TYR LYS PHE ARG ILE ASP SEQRES 44 A 621 ASP PHE ASP TYR SER LYS PRO LEU GLN GLY GLN GLN LYS SEQRES 45 A 621 ARG PRO PHE GLU GLU HIS TRP ARG LYS HIS THR LEU SER SEQRES 46 A 621 TYR VAL ASP VAL LYS SER GLY LYS VAL THR LEU LYS TYR SEQRES 47 A 621 ARG PRO VAL ILE ASP ARG THR LEU ASN GLU GLU ASP CYS SEQRES 48 A 621 SER SER VAL PRO PRO ALA ILE ARG SER TYR SEQRES 1 B 252 ALA GLN THR ALA ALA ALA ALA THR SER ARG ILE LYS LYS SEQRES 2 B 252 PHE SER ILE TYR ARG TRP ASP PRO ASP LYS PRO GLY ASP SEQRES 3 B 252 LYS PRO ARG MET GLN THR TYR GLU VAL ASP LEU ASN LYS SEQRES 4 B 252 CYS GLY PRO MET VAL LEU ASP ALA LEU ILE LYS ILE LYS SEQRES 5 B 252 ASN GLU LEU ASP SER THR LEU THR PHE ARG ARG SER CYS SEQRES 6 B 252 ARG GLU GLY ILE CYS GLY SER CYS ALA MET ASN ILE ALA SEQRES 7 B 252 GLY GLY ASN THR LEU ALA CYS THR LYS LYS ILE ASP PRO SEQRES 8 B 252 ASP LEU SER LYS THR THR LYS ILE TYR PRO LEU PRO HIS SEQRES 9 B 252 MET TYR VAL VAL LYS ASP LEU VAL PRO ASP LEU SER ASN SEQRES 10 B 252 PHE TYR ALA GLN TYR LYS SER ILE GLU PRO TYR LEU LYS SEQRES 11 B 252 LYS LYS ASP GLU SER LYS GLN GLY LYS GLU GLN TYR LEU SEQRES 12 B 252 GLN SER ILE GLU ASP ARG GLN LYS LEU ASP GLY LEU TYR SEQRES 13 B 252 GLU CYS ILE LEU CYS ALA CYS CYS SER THR SER CYS PRO SEQRES 14 B 252 SER TYR TRP TRP ASN GLY ASP LYS TYR LEU GLY PRO ALA SEQRES 15 B 252 VAL LEU MET GLN ALA TYR ARG TRP MET ILE ASP SER ARG SEQRES 16 B 252 ASP ASP TYR THR GLU GLU ARG LEU ALA GLN LEU GLN ASP SEQRES 17 B 252 PRO PHE SER LEU TYR ARG CYS HIS THR ILE MET ASN CYS SEQRES 18 B 252 THR ARG THR CYS PRO LYS GLY LEU ASN PRO GLY LYS ALA SEQRES 19 B 252 ILE ALA GLU ILE LYS LYS MET MET ALA THR TYR LYS GLU SEQRES 20 B 252 LYS ALA ALA ALA ALA SEQRES 1 C 141 MET ALA THR THR ALA LYS GLU GLU MET ALA ARG PHE TRP SEQRES 2 C 141 GLU LYS ASN THR LYS SER SER ARG PRO LEU SER PRO HIS SEQRES 3 C 141 ILE SER ILE TYR LYS TRP SER LEU PRO MET ALA MET SER SEQRES 4 C 141 ILE THR HIS ARG GLY THR GLY VAL ALA LEU SER LEU GLY SEQRES 5 C 141 VAL SER LEU PHE SER LEU ALA ALA LEU LEU LEU PRO GLU SEQRES 6 C 141 GLN PHE PRO HIS TYR VAL ALA VAL VAL LYS SER LEU SER SEQRES 7 C 141 LEU SER PRO ALA LEU ILE TYR SER ALA LYS PHE ALA LEU SEQRES 8 C 141 VAL PHE PRO LEU SER TYR HIS THR TRP ASN GLY ILE ARG SEQRES 9 C 141 HIS LEU VAL TRP ASP MET GLY LYS GLY PHE LYS LEU SER SEQRES 10 C 141 GLN VAL GLU GLN SER GLY VAL VAL VAL LEU ILE LEU THR SEQRES 11 C 141 LEU LEU SER SER ALA GLY ILE ALA ALA ILE SER SEQRES 1 D 103 GLY SER SER LYS ALA ALA SER LEU HIS TRP THR SER GLU SEQRES 2 D 103 ARG ALA VAL SER ALA LEU LEU LEU GLY LEU LEU PRO ALA SEQRES 3 D 103 ALA TYR LEU TYR PRO GLY PRO ALA VAL ASP TYR SER LEU SEQRES 4 D 103 ALA ALA ALA LEU THR LEU HIS GLY HIS TRP GLY LEU GLY SEQRES 5 D 103 GLN VAL ILE THR ASP TYR VAL HIS GLY ASP THR PRO ILE SEQRES 6 D 103 LYS VAL ALA ASN THR GLY LEU TYR VAL LEU SER ALA ILE SEQRES 7 D 103 THR PHE THR GLY LEU CYS TYR PHE ASN TYR TYR ASP VAL SEQRES 8 D 103 GLY ILE CYS LYS ALA VAL ALA MET LEU TRP SER ILE HET BHG 16 18 HET OAA 2 9 HET FAD 201 53 HET FES 202 4 HET SF4 203 8 HET F3S 204 7 HET HEM 101 43 HET UQ 1 14 HET PEE 7 24 HET PEE 8 21 HET UNL 3 1 HET UNL 4 1 HET PEE 19 6 HET UNL 1850 1 HET UNL 1851 1 HET UNL 1852 1 HET UNL 1853 1 HET UNL 1854 1 HET UNL 1855 1 HET UNL 1856 1 HET UNL 1857 1 HET UNL 1858 1 HET UNL 1859 1 HET UNL 1860 1 HET UNL 1861 1 HET UNL 1862 1 HET UNL 1863 1 HET UNL 1864 1 HET UNL 1865 1 HET UNL 1866 1 HET UNL 1867 1 HET UNL 1868 1 HET UNL 1869 1 HET UNL 1870 1 HET UNL 1871 1 HET UNL 1872 1 HET UNL 1873 1 HET UNL 1874 1 HET UNL 1875 1 HET UNL 1876 1 HET UNL 1877 1 HET UNL 1878 1 HET UNL 1879 1 HETNAM BHG 2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5- HETNAM 2 BHG TRIOL HETNAM OAA OXALOACETATE ION HETNAM FAD FLAVIN-ADENINE DINUCLEOTIDE HETNAM FES FE2/S2 (INORGANIC) CLUSTER HETNAM SF4 IRON/SULFUR CLUSTER HETNAM F3S FE3-S4 CLUSTER HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM UQ UBIQUINONE-10 HETNAM PEE PHOSPHATIDYLETHANOLAMINE HETNAM UNL UNKNOWN LIGAND HETSYN HEM HEME HETSYN PEE D-GLYCEROL-1-[(2-AMINO-ETHYL)PHOSPHATE]-2,3- HETSYN 2 PEE DIOCTADECANOATE, 2,3-DIOCTADECANOYL-GLYCEROL-1-[(2- HETSYN 3 PEE AMINO-ETHYL)PHOSPHATE] FORMUL 5 BHG C12 H24 O6 FORMUL 6 OAA C4 H3 O5 1- FORMUL 7 FAD C27 H33 N9 O15 P2 FORMUL 8 FES FE2 S2 FORMUL 9 SF4 FE4 S4 2+ FORMUL 10 F3S FE3 S4 1+ FORMUL 11 HEM C34 H32 N4 O4 FE1 FORMUL 12 UQ C59 H90 O4 FORMUL 13 PEE 3(C41 H83 N1 O8 P1) FORMUL 48 HOH *849(H2 O1) HELIX 1 1 GLY A 27 ALA A 40 1 14 HELIX 2 2 PHE A 51 ALA A 60 5 10 HELIX 3 3 ASN A 75 ASP A 88 1 14 HELIX 4 4 ASP A 92 TYR A 113 1 22 HELIX 5 5 ARG A 152 LEU A 166 1 15 HELIX 6 6 TYR A 216 TYR A 220 5 5 HELIX 7 7 GLY A 231 ALA A 240 1 10 HELIX 8 8 GLU A 266 GLU A 271 1 6 HELIX 9 9 PHE A 283 ALA A 288 1 6 HELIX 10 10 ALA A 291 ALA A 295 5 5 HELIX 11 11 SER A 296 GLU A 310 1 15 HELIX 12 12 PRO A 329 LEU A 337 1 9 HELIX 13 13 LEU A 337 GLY A 349 1 13 HELIX 14 14 ASN A 412 CYS A 432 1 21 HELIX 15 15 GLY A 446 PHE A 458 1 13 HELIX 16 16 THR A 465 ALA A 480 1 16 HELIX 17 17 THR A 485 LEU A 503 1 19 HELIX 18 18 ASN A 516 ARG A 542 1 27 HELIX 19 19 PRO A 574 HIS A 578 5 5 HELIX 20 20 ASN B 38 CYS B 40 5 3 HELIX 21 21 MET B 43 LEU B 55 1 13 HELIX 22 22 CYS B 85 LYS B 87 5 3 HELIX 23 23 LEU B 115 ILE B 125 1 11 HELIX 24 24 SER B 145 LYS B 151 1 7 HELIX 25 25 CYS B 164 SER B 167 5 4 HELIX 26 26 CYS B 168 GLY B 175 1 8 HELIX 27 27 GLY B 180 ILE B 192 1 13 HELIX 28 28 TYR B 198 GLN B 205 1 8 HELIX 29 29 MET B 219 CYS B 225 1 7 HELIX 30 30 ASN B 230 TYR B 245 1 16 HELIX 31 31 THR C 4 LYS C 18 1 15 HELIX 32 32 SER C 33 LEU C 63 1 31 HELIX 33 33 GLN C 66 SER C 76 1 11 HELIX 34 34 SER C 80 MET C 110 1 31 HELIX 35 35 LYS C 115 ALA C 138 1 24 HELIX 36 36 LYS D 4 TYR D 30 1 27 HELIX 37 37 GLY D 32 VAL D 59 1 28 HELIX 38 38 GLY D 61 ASP D 90 1 30 HELIX 39 39 GLY D 92 TRP D 101 1 10 SHEET 1 A 6 SER A 171 VAL A 174 0 SHEET 2 A 6 THR A 44 THR A 48 1 N THR A 44 O SER A 171 SHEET 3 A 6 VAL A 14 VAL A 24 1 N VAL A 23 O VAL A 47 SHEET 4 A 6 THR A 200 ILE A 211 1 O VAL A 210 N VAL A 24 SHEET 5 A 6 GLU A 187 CYS A 195 -1 N CYS A 195 O THR A 200 SHEET 6 A 6 TYR A 176 GLU A 184 -1 N LEU A 182 O ARG A 189 SHEET 1 B 6 SER A 171 VAL A 174 0 SHEET 2 B 6 THR A 44 THR A 48 1 N THR A 44 O SER A 171 SHEET 3 B 6 VAL A 14 VAL A 24 1 N VAL A 23 O VAL A 47 SHEET 4 B 6 THR A 200 ILE A 211 1 O VAL A 210 N VAL A 24 SHEET 5 B 6 GLU A 385 ALA A 394 1 O TYR A 393 N ILE A 211 SHEET 6 B 6 GLN A 377 VAL A 382 -1 N THR A 380 O LYS A 387 SHEET 1 C 3 ILE A 64 ASN A 65 0 SHEET 2 C 3 CYS A 146 CYS A 147 -1 O CYS A 147 N ILE A 64 SHEET 3 C 3 GLN A 127 ARG A 128 -1 N ARG A 128 O CYS A 146 SHEET 1 D 3 CYS A 244 GLN A 245 0 SHEET 2 D 3 LYS A 581 ASP A 588 -1 O SER A 585 N CYS A 244 SHEET 3 D 3 LYS A 593 PRO A 600 -1 O ARG A 599 N HIS A 582 SHEET 1 E 4 VAL A 250 ILE A 257 0 SHEET 2 E 4 ILE A 357 ASN A 366 -1 O HIS A 364 N GLN A 251 SHEET 3 E 4 VAL A 321 GLN A 324 -1 N LEU A 323 O ILE A 357 SHEET 4 E 4 ILE A 274 ILE A 276 -1 N ILE A 274 O GLN A 324 SHEET 1 F 2 ILE A 370 PRO A 371 0 SHEET 2 F 2 ALA A 399 SER A 400 1 O SER A 400 N ILE A 370 SHEET 1 G 2 ILE A 463 ARG A 464 0 SHEET 2 G 2 LEU A 506 LYS A 507 1 O LYS A 507 N ILE A 463 SHEET 1 H 2 PHE A 483 ARG A 484 0 SHEET 2 H 2 ALA A 550 ARG A 551 1 O ALA A 550 N ARG A 484 SHEET 1 I 5 ARG B 29 ASP B 36 0 SHEET 2 I 5 ILE B 11 ARG B 18 -1 N ARG B 18 O ARG B 29 SHEET 3 I 5 THR B 97 TYR B 100 1 O THR B 97 N SER B 15 SHEET 4 I 5 ALA B 74 ILE B 77 -1 N ASN B 76 O TYR B 100 SHEET 5 I 5 GLY B 80 LEU B 83 -1 O GLY B 80 N ILE B 77 SHEET 1 J 2 VAL B 107 LYS B 109 0 SHEET 2 J 2 VAL B 112 PRO B 113 -1 O VAL B 112 N LYS B 109 LINK FE HEM 101 NE2 HIS C 98 LINK FE HEM 101 NE2 HIS D 46 CRYST1 70.008 84.398 289.496 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 0.014284 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011849 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003454 0.00000 ATOM 1 N ILE A 8 58.037 38.019 119.343 1.00123.01 N ATOM 2 CA ILE A 8 56.655 37.956 119.913 1.00122.38 C ATOM 3 C ILE A 8 55.628 38.693 119.032 1.00121.74 C ATOM 4 O ILE A 8 55.986 39.285 118.000 1.00122.06 O ATOM 5 CB ILE A 8 56.623 38.584 121.335 1.00122.52 C ATOM 6 N SER A 9 54.353 38.589 119.431 1.00120.40 N ATOM 7 CA SER A 9 53.202 39.270 118.803 1.00117.71 C ATOM 8 C SER A 9 52.274 38.695 117.719 1.00115.00 C ATOM 9 O SER A 9 52.056 37.472 117.557 1.00114.30 O ATOM 10 CB SER A 9 53.620 40.695 118.341 1.00118.67 C ATOM 11 OG SER A 9 54.027 40.739 116.974 1.00118.16 O ATOM 12 N SER A 10 51.734 39.686 117.007 1.00111.30 N ATOM 13 CA SER A 10 50.751 39.592 115.950 1.00107.12 C ATOM 14 C SER A 10 50.979 38.969 114.575 1.00103.69 C ATOM 15 O SER A 10 51.023 39.690 113.566 1.00103.60 O ATOM 16 CB SER A 10 50.136 40.996 115.698 1.00107.67 C ATOM 17 N GLN A 11 51.127 37.646 114.521 1.00 98.99 N ATOM 18 CA GLN A 11 51.177 36.997 113.217 1.00 93.01 C ATOM 19 C GLN A 11 49.641 36.828 113.033 1.00 87.76 C ATOM 20 O GLN A 11 49.131 36.695 111.912 1.00 86.84 O ATOM 21 CB GLN A 11 51.892 35.644 113.276 1.00 95.10 C ATOM 22 CG GLN A 11 52.021 34.983 111.899 1.00 97.97 C ATOM 23 CD GLN A 11 52.997 33.797 111.878 1.00 99.94 C ATOM 24 OE1 GLN A 11 54.103 33.879 112.444 1.00101.62 O ATOM 25 NE2 GLN A 11 52.602 32.699 111.207 1.00 99.12 N ATOM 26 N TYR A 12 48.937 36.866 114.181 1.00 80.64 N ATOM 27 CA TYR A 12 47.478 36.771 114.279 1.00 73.27 C ATOM 28 C TYR A 12 46.919 37.977 115.040 1.00 71.87 C ATOM 29 O TYR A 12 47.335 38.300 116.153 1.00 70.69 O ATOM 30 CB TYR A 12 47.039 35.533 115.036 1.00 66.32 C ATOM 31 CG TYR A 12 47.584 34.253 114.516 1.00 59.13 C ATOM 32 CD1 TYR A 12 48.922 33.956 114.650 1.00 56.94 C ATOM 33 CD2 TYR A 12 46.768 33.329 113.887 1.00 55.39 C ATOM 34 CE1 TYR A 12 49.439 32.770 114.171 1.00 53.50 C ATOM 35 CE2 TYR A 12 47.281 32.138 113.403 1.00 51.69 C ATOM 36 CZ TYR A 12 48.618 31.875 113.550 1.00 51.91 C ATOM 37 OH TYR A 12 49.189 30.737 113.051 1.00 50.51 O ATOM 38 N PRO A 13 45.970 38.676 114.424 1.00 71.17 N ATOM 39 CA PRO A 13 45.352 39.846 115.074 1.00 69.89 C ATOM 40 C PRO A 13 44.310 39.313 116.072 1.00 67.45 C ATOM 41 O PRO A 13 43.614 38.316 115.789 1.00 67.35 O ATOM 42 CB PRO A 13 44.707 40.595 113.897 1.00 71.03 C ATOM 43 CG PRO A 13 44.331 39.465 112.920 1.00 70.87 C ATOM 44 CD PRO A 13 45.520 38.508 113.019 1.00 71.22 C ATOM 45 N VAL A 14 44.200 39.961 117.221 1.00 64.01 N ATOM 46 CA VAL A 14 43.272 39.493 118.236 1.00 60.57 C ATOM 47 C VAL A 14 42.065 40.397 118.484 1.00 58.54 C ATOM 48 O VAL A 14 42.211 41.589 118.658 1.00 59.97 O ATOM 49 CB VAL A 14 44.030 39.291 119.553 1.00 60.37 C ATOM 50 CG1 VAL A 14 43.083 38.856 120.673 1.00 59.02 C ATOM 51 CG2 VAL A 14 45.141 38.279 119.335 1.00 59.27 C ATOM 52 N VAL A 15 40.866 39.841 118.515 1.00 54.96 N ATOM 53 CA VAL A 15 39.684 40.664 118.772 1.00 52.20 C ATOM 54 C VAL A 15 39.214 40.362 120.173 1.00 50.69 C ATOM 55 O VAL A 15 39.066 39.205 120.549 1.00 49.79 O ATOM 56 CB VAL A 15 38.540 40.320 117.792 1.00 52.48 C ATOM 57 CG1 VAL A 15 37.373 41.308 117.919 1.00 51.46 C ATOM 58 CG2 VAL A 15 39.084 40.278 116.389 1.00 50.94 C ATOM 59 N ASP A 16 38.971 41.391 120.952 1.00 50.24 N ATOM 60 CA ASP A 16 38.513 41.157 122.304 1.00 51.62 C ATOM 61 C ASP A 16 37.034 41.449 122.475 1.00 50.11 C ATOM 62 O ASP A 16 36.521 42.449 121.969 1.00 50.86 O ATOM 63 CB ASP A 16 39.346 41.984 123.296 1.00 52.69 C ATOM 64 CG ASP A 16 40.632 41.264 123.694 1.00 56.66 C ATOM 65 OD1 ASP A 16 40.592 40.086 124.128 1.00 56.53 O ATOM 66 OD2 ASP A 16 41.702 41.883 123.570 1.00 60.84 O ATOM 67 N HIS A 17 36.333 40.593 123.190 1.00 48.68 N ATOM 68 CA HIS A 17 34.890 40.841 123.405 1.00 47.76 C ATOM 69 C HIS A 17 34.597 40.826 124.907 1.00 47.90 C ATOM 70 O HIS A 17 35.325 40.224 125.678 1.00 48.25 O ATOM 71 CB HIS A 17 34.044 39.753 122.744 1.00 44.79 C ATOM 72 CG HIS A 17 34.362 39.510 121.311 1.00 44.15 C ATOM 73 ND1 HIS A 17 33.658 40.115 120.286 1.00 44.58 N ATOM 74 CD2 HIS A 17 35.188 38.604 120.720 1.00 44.88 C ATOM 75 CE1 HIS A 17 34.019 39.569 119.131 1.00 44.74 C ATOM 76 NE2 HIS A 17 34.944 38.650 119.364 1.00 43.55 N ATOM 77 N GLU A 18 33.536 41.484 125.322 1.00 48.69 N ATOM 78 CA GLU A 18 33.192 41.493 126.717 1.00 50.33 C ATOM 79 C GLU A 18 31.712 41.166 126.782 1.00 49.11 C ATOM 80 O GLU A 18 30.898 41.757 126.100 1.00 48.45 O ATOM 81 CB GLU A 18 33.418 42.874 127.335 1.00 54.51 C ATOM 82 CG GLU A 18 34.826 43.214 127.732 1.00 60.60 C ATOM 83 CD GLU A 18 34.995 44.717 128.105 1.00 66.75 C ATOM 84 OE1 GLU A 18 34.239 45.244 128.986 1.00 69.25 O ATOM 85 OE2 GLU A 18 35.897 45.374 127.504 1.00 69.01 O ATOM 86 N PHE A 19 31.372 40.198 127.606 1.00 47.78 N ATOM 87 CA PHE A 19 29.991 39.788 127.797 1.00 45.03 C ATOM 88 C PHE A 19 29.832 39.475 129.278 1.00 44.28 C ATOM 89 O PHE A 19 30.847 39.303 129.996 1.00 43.31 O ATOM 90 CB PHE A 19 29.708 38.492 127.034 1.00 42.27 C ATOM 91 CG PHE A 19 29.586 38.667 125.567 1.00 42.67 C ATOM 92 CD1 PHE A 19 30.717 38.604 124.737 1.00 41.43 C ATOM 93 CD2 PHE A 19 28.309 38.902 124.989 1.00 42.16 C ATOM 94 CE1 PHE A 19 30.602 38.771 123.341 1.00 38.82 C ATOM 95 CE2 PHE A 19 28.180 39.069 123.614 1.00 40.10 C ATOM 96 CZ PHE A 19 29.340 39.001 122.786 1.00 41.56 C ATOM 97 N ASP A 20 28.582 39.412 129.730 1.00 42.93 N ATOM 98 CA ASP A 20 28.303 38.994 131.093 1.00 42.57 C ATOM 99 C ASP A 20 28.646 37.510 131.163 1.00 42.97 C ATOM 100 O ASP A 20 29.229 37.079 132.160 1.00 42.83 O ATOM 101 CB ASP A 20 26.816 39.127 131.431 1.00 43.54 C ATOM 102 CG ASP A 20 26.370 40.572 131.547 1.00 46.01 C ATOM 103 OD1 ASP A 20 27.202 41.425 131.930 1.00 47.75 O ATOM 104 OD2 ASP A 20 25.188 40.870 131.259 1.00 48.02 O ATOM 105 N ALA A 21 28.277 36.728 130.125 1.00 43.12 N ATOM 106 CA ALA A 21 28.526 35.248 130.115 1.00 42.96 C ATOM 107 C ALA A 21 28.809 34.691 128.744 1.00 41.99 C ATOM 108 O ALA A 21 28.365 35.265 127.757 1.00 43.38 O ATOM 109 CB ALA A 21 27.330 34.509 130.666 1.00 41.05 C ATOM 110 N VAL A 22 29.537 33.574 128.681 1.00 40.86 N ATOM 111 CA VAL A 22 29.878 32.922 127.411 1.00 38.92 C ATOM 112 C VAL A 22 29.501 31.461 127.511 1.00 36.28 C ATOM 113 O VAL A 22 29.900 30.816 128.453 1.00 34.34 O ATOM 114 CB VAL A 22 31.410 32.850 127.121 1.00 40.24 C ATOM 115 CG1 VAL A 22 31.660 32.407 125.712 1.00 40.14 C ATOM 116 CG2 VAL A 22 32.011 34.097 127.321 1.00 42.21 C ATOM 117 N VAL A 23 28.798 30.936 126.508 1.00 33.91 N ATOM 118 CA VAL A 23 28.406 29.524 126.491 1.00 33.23 C ATOM 119 C VAL A 23 29.172 28.919 125.346 1.00 33.21 C ATOM 120 O VAL A 23 29.122 29.445 124.224 1.00 34.50 O ATOM 121 CB VAL A 23 26.878 29.293 126.196 1.00 31.63 C ATOM 122 CG1 VAL A 23 26.617 27.817 126.147 1.00 29.39 C ATOM 123 CG2 VAL A 23 26.045 29.840 127.337 1.00 31.57 C ATOM 124 N VAL A 24 29.946 27.881 125.625 1.00 30.36 N ATOM 125 CA VAL A 24 30.670 27.265 124.540 1.00 30.35 C ATOM 126 C VAL A 24 29.940 25.975 124.175 1.00 29.68 C ATOM 127 O VAL A 24 29.889 25.071 124.962 1.00 27.90 O ATOM 128 CB VAL A 24 32.180 26.949 124.916 1.00 30.64 C ATOM 129 CG1 VAL A 24 32.919 26.531 123.696 1.00 29.38 C ATOM 130 CG2 VAL A 24 32.854 28.189 125.524 1.00 30.00 C ATOM 131 N GLY A 25 29.384 25.915 122.960 1.00 30.36 N ATOM 132 CA GLY A 25 28.631 24.740 122.518 1.00 28.96 C ATOM 133 C GLY A 25 27.208 25.149 122.098 1.00 29.80 C ATOM 134 O GLY A 25 26.612 26.023 122.707 1.00 29.50 O ATOM 135 N ALA A 26 26.652 24.551 121.059 1.00 30.14 N ATOM 136 CA ALA A 26 25.274 24.961 120.719 1.00 33.63 C ATOM 137 C ALA A 26 24.432 23.774 120.343 1.00 31.69 C ATOM 138 O ALA A 26 23.720 23.786 119.373 1.00 33.69 O ATOM 139 CB ALA A 26 25.227 26.034 119.596 1.00 32.85 C ATOM 140 N GLY A 27 24.584 22.717 121.115 1.00 32.71 N ATOM 141 CA GLY A 27 23.755 21.542 120.954 1.00 31.94 C ATOM 142 C GLY A 27 22.590 21.797 121.928 1.00 29.54 C ATOM 143 O GLY A 27 22.289 22.954 122.286 1.00 29.89 O ATOM 144 N GLY A 28 21.943 20.740 122.381 1.00 31.07 N ATOM 145 CA GLY A 28 20.826 20.891 123.298 1.00 30.72 C ATOM 146 C GLY A 28 21.153 21.642 124.580 1.00 33.30 C ATOM 147 O GLY A 28 20.418 22.574 124.983 1.00 35.18 O ATOM 148 N ALA A 29 22.253 21.272 125.236 1.00 31.76 N ATOM 149 CA ALA A 29 22.633 21.914 126.495 1.00 29.16 C ATOM 150 C ALA A 29 23.027 23.338 126.260 1.00 30.47 C ATOM 151 O ALA A 29 22.518 24.240 126.906 1.00 32.70 O ATOM 152 CB ALA A 29 23.816 21.152 127.134 1.00 30.54 C ATOM 153 N GLY A 30 23.938 23.574 125.321 1.00 30.58 N ATOM 154 CA GLY A 30 24.351 24.949 125.112 1.00 31.69 C ATOM 155 C GLY A 30 23.252 25.915 124.669 1.00 33.35 C ATOM 156 O GLY A 30 23.144 27.059 125.168 1.00 30.74 O ATOM 157 N LEU A 31 22.436 25.500 123.703 1.00 34.01 N ATOM 158 CA LEU A 31 21.400 26.432 123.299 1.00 34.53 C ATOM 159 C LEU A 31 20.535 26.738 124.521 1.00 33.65 C ATOM 160 O LEU A 31 20.302 27.933 124.825 1.00 38.07 O ATOM 161 CB LEU A 31 20.551 25.886 122.125 1.00 34.16 C ATOM 162 CG LEU A 31 21.227 25.771 120.760 1.00 33.95 C ATOM 163 CD1 LEU A 31 20.311 25.101 119.701 1.00 34.08 C ATOM 164 CD2 LEU A 31 21.629 27.162 120.310 1.00 36.40 C ATOM 165 N ARG A 32 20.107 25.718 125.273 1.00 34.45 N ATOM 166 CA ARG A 32 19.218 25.991 126.419 1.00 33.66 C ATOM 167 C ARG A 32 19.837 26.922 127.470 1.00 35.21 C ATOM 168 O ARG A 32 19.140 27.827 128.038 1.00 31.29 O ATOM 169 CB ARG A 32 18.762 24.718 127.121 1.00 32.18 C ATOM 170 CG ARG A 32 17.769 25.047 128.345 1.00 29.98 C ATOM 171 CD ARG A 32 16.358 25.393 127.799 1.00 30.51 C ATOM 172 NE ARG A 32 15.347 25.845 128.754 1.00 29.24 N ATOM 173 CZ ARG A 32 15.339 27.073 129.277 1.00 36.47 C ATOM 174 NH1 ARG A 32 16.307 27.953 128.975 1.00 37.17 N ATOM 175 NH2 ARG A 32 14.330 27.474 130.034 1.00 36.09 N ATOM 176 N ALA A 33 21.143 26.694 127.740 1.00 35.40 N ATOM 177 CA ALA A 33 21.820 27.572 128.676 1.00 35.37 C ATOM 178 C ALA A 33 21.975 28.984 128.087 1.00 34.59 C ATOM 179 O ALA A 33 21.788 29.956 128.799 1.00 32.24 O ATOM 180 CB ALA A 33 23.258 27.012 129.063 1.00 35.48 C ATOM 181 N ALA A 34 22.353 29.090 126.816 1.00 33.46 N ATOM 182 CA ALA A 34 22.616 30.408 126.223 1.00 35.86 C ATOM 183 C ALA A 34 21.337 31.295 126.155 1.00 35.99 C ATOM 184 O ALA A 34 21.373 32.396 126.619 1.00 37.80 O ATOM 185 CB ALA A 34 23.272 30.258 124.813 1.00 31.55 C ATOM 186 N PHE A 35 20.219 30.865 125.580 1.00 36.63 N ATOM 187 CA PHE A 35 19.070 31.786 125.680 1.00 35.97 C ATOM 188 C PHE A 35 18.475 31.817 127.101 1.00 37.04 C ATOM 189 O PHE A 35 17.828 32.800 127.477 1.00 39.63 O ATOM 190 CB PHE A 35 18.003 31.534 124.581 1.00 34.04 C ATOM 191 CG PHE A 35 17.189 30.255 124.738 1.00 34.04 C ATOM 192 CD1 PHE A 35 16.083 30.188 125.614 1.00 35.33 C ATOM 193 CD2 PHE A 35 17.448 29.162 123.925 1.00 33.31 C ATOM 194 CE1 PHE A 35 15.249 29.050 125.658 1.00 31.61 C ATOM 195 CE2 PHE A 35 16.592 27.996 123.959 1.00 32.90 C ATOM 196 CZ PHE A 35 15.516 27.947 124.801 1.00 30.36 C ATOM 197 N GLY A 36 18.701 30.784 127.933 1.00 37.26 N ATOM 198 CA GLY A 36 18.188 30.871 129.295 1.00 35.11 C ATOM 199 C GLY A 36 18.825 32.110 129.947 1.00 38.56 C ATOM 200 O GLY A 36 18.135 32.915 130.651 1.00 38.35 O ATOM 201 N LEU A 37 20.152 32.249 129.738 1.00 35.92 N ATOM 202 CA LEU A 37 20.907 33.355 130.234 1.00 37.63 C ATOM 203 C LEU A 37 20.348 34.696 129.629 1.00 39.57 C ATOM 204 O LEU A 37 20.109 35.673 130.365 1.00 41.88 O ATOM 205 CB LEU A 37 22.411 33.162 129.896 1.00 36.10 C ATOM 206 CG LEU A 37 23.148 32.280 130.911 1.00 37.21 C ATOM 207 CD1 LEU A 37 24.503 31.881 130.453 1.00 35.67 C ATOM 208 CD2 LEU A 37 23.288 33.061 132.177 1.00 37.55 C ATOM 209 N SER A 38 20.188 34.784 128.315 1.00 39.04 N ATOM 210 CA SER A 38 19.638 36.030 127.732 1.00 41.22 C ATOM 211 C SER A 38 18.209 36.296 128.275 1.00 41.67 C ATOM 212 O SER A 38 17.877 37.415 128.655 1.00 42.22 O ATOM 213 CB SER A 38 19.581 35.942 126.217 1.00 40.96 C ATOM 214 OG SER A 38 20.883 35.906 125.686 1.00 43.42 O ATOM 215 N GLU A 39 17.386 35.266 128.341 1.00 42.31 N ATOM 216 CA GLU A 39 16.061 35.434 128.885 1.00 44.38 C ATOM 217 C GLU A 39 16.163 36.040 130.303 1.00 45.29 C ATOM 218 O GLU A 39 15.354 36.883 130.686 1.00 45.23 O ATOM 219 CB GLU A 39 15.362 34.093 128.920 1.00 45.36 C ATOM 220 CG GLU A 39 14.069 34.060 129.688 1.00 49.87 C ATOM 221 CD GLU A 39 13.189 32.823 129.327 1.00 53.51 C ATOM 222 OE1 GLU A 39 13.740 31.687 129.193 1.00 51.60 O ATOM 223 OE2 GLU A 39 11.944 33.009 129.172 1.00 54.88 O ATOM 224 N ALA A 40 17.164 35.637 131.079 1.00 44.70 N ATOM 225 CA ALA A 40 17.297 36.184 132.438 1.00 44.52 C ATOM 226 C ALA A 40 17.914 37.614 132.427 1.00 45.49 C ATOM 227 O ALA A 40 18.108 38.234 133.473 1.00 44.12 O ATOM 228 CB ALA A 40 18.141 35.251 133.307 1.00 41.93 C ATOM 229 N GLY A 41 18.249 38.121 131.242 1.00 45.35 N ATOM 230 CA GLY A 41 18.774 39.465 131.185 1.00 43.38 C ATOM 231 C GLY A 41 20.246 39.535 130.964 1.00 42.39 C ATOM 232 O GLY A 41 20.764 40.607 130.809 1.00 44.10 O ATOM 233 N PHE A 42 20.925 38.412 130.881 1.00 42.37 N ATOM 234 CA PHE A 42 22.367 38.483 130.712 1.00 40.81 C ATOM 235 C PHE A 42 22.823 38.630 129.251 1.00 42.72 C ATOM 236 O PHE A 42 22.341 37.901 128.358 1.00 40.47 O ATOM 237 CB PHE A 42 23.014 37.237 131.345 1.00 39.23 C ATOM 238 CG PHE A 42 22.950 37.198 132.849 1.00 36.80 C ATOM 239 CD1 PHE A 42 21.804 36.785 133.482 1.00 33.93 C ATOM 240 CD2 PHE A 42 24.083 37.596 133.637 1.00 36.18 C ATOM 241 CE1 PHE A 42 21.722 36.745 134.894 1.00 34.52 C ATOM 242 CE2 PHE A 42 24.039 37.566 135.042 1.00 35.59 C ATOM 243 CZ PHE A 42 22.818 37.129 135.679 1.00 35.97 C ATOM 244 N ASN A 43 23.731 39.595 129.010 1.00 42.86 N ATOM 245 CA ASN A 43 24.300 39.812 127.669 1.00 43.08 C ATOM 246 C ASN A 43 25.174 38.568 127.456 1.00 42.90 C ATOM 247 O ASN A 43 26.274 38.464 127.997 1.00 42.22 O ATOM 248 CB ASN A 43 25.165 41.061 127.677 1.00 43.62 C ATOM 249 CG ASN A 43 25.736 41.377 126.329 1.00 45.70 C ATOM 250 OD1 ASN A 43 26.633 42.216 126.200 1.00 47.32 O ATOM 251 ND2 ASN A 43 25.217 40.720 125.296 1.00 45.20 N ATOM 252 N THR A 44 24.696 37.647 126.622 1.00 43.27 N ATOM 253 CA THR A 44 25.353 36.352 126.447 1.00 41.24 C ATOM 254 C THR A 44 25.919 36.065 125.082 1.00 40.77 C ATOM 255 O THR A 44 25.347 36.433 124.107 1.00 42.24 O ATOM 256 CB THR A 44 24.353 35.230 126.774 1.00 41.80 C ATOM 257 OG1 THR A 44 23.732 35.499 128.044 1.00 40.39 O ATOM 258 CG2 THR A 44 25.041 33.879 126.776 1.00 39.88 C ATOM 259 N ALA A 45 27.056 35.383 125.023 1.00 40.30 N ATOM 260 CA ALA A 45 27.665 35.022 123.754 1.00 40.12 C ATOM 261 C ALA A 45 27.578 33.524 123.635 1.00 38.47 C ATOM 262 O ALA A 45 27.703 32.877 124.622 1.00 39.93 O ATOM 263 CB ALA A 45 29.146 35.474 123.738 1.00 40.02 C ATOM 264 N CYS A 46 27.328 32.955 122.465 1.00 38.06 N ATOM 265 CA CYS A 46 27.311 31.474 122.356 1.00 36.71 C ATOM 266 C CYS A 46 28.340 31.167 121.290 1.00 35.78 C ATOM 267 O CYS A 46 28.222 31.655 120.222 1.00 37.88 O ATOM 268 CB CYS A 46 25.939 30.916 121.988 1.00 35.51 C ATOM 269 SG CYS A 46 25.960 29.135 121.526 1.00 36.25 S ATOM 270 N VAL A 47 29.353 30.355 121.601 1.00 35.90 N ATOM 271 CA VAL A 47 30.459 30.071 120.682 1.00 34.32 C ATOM 272 C VAL A 47 30.396 28.617 120.237 1.00 33.19 C ATOM 273 O VAL A 47 30.499 27.719 121.040 1.00 30.41 O ATOM 274 CB VAL A 47 31.826 30.335 121.410 1.00 35.08 C ATOM 275 CG1 VAL A 47 32.988 30.012 120.476 1.00 34.94 C ATOM 276 CG2 VAL A 47 31.920 31.827 121.825 1.00 34.74 C ATOM 277 N THR A 48 30.323 28.352 118.941 1.00 31.50 N ATOM 278 CA THR A 48 30.169 26.958 118.602 1.00 30.97 C ATOM 279 C THR A 48 30.988 26.620 117.358 1.00 32.23 C ATOM 280 O THR A 48 31.106 27.420 116.412 1.00 33.36 O ATOM 281 CB THR A 48 28.579 26.657 118.404 1.00 27.92 C ATOM 282 OG1 THR A 48 28.411 25.506 117.584 1.00 27.28 O ATOM 283 CG2 THR A 48 27.917 27.782 117.655 1.00 26.78 C ATOM 284 N LYS A 49 31.520 25.427 117.305 1.00 33.13 N ATOM 285 CA LYS A 49 32.369 25.178 116.161 1.00 36.64 C ATOM 286 C LYS A 49 31.550 24.739 114.905 1.00 36.75 C ATOM 287 O LYS A 49 32.041 24.727 113.765 1.00 38.50 O ATOM 288 CB LYS A 49 33.475 24.201 116.607 1.00 36.13 C ATOM 289 CG LYS A 49 33.387 22.821 116.046 1.00 38.64 C ATOM 290 CD LYS A 49 33.409 21.685 117.034 1.00 37.99 C ATOM 291 CE LYS A 49 34.745 20.993 117.047 1.00 38.24 C ATOM 292 NZ LYS A 49 34.727 19.512 117.226 1.00 31.97 N ATOM 293 N LEU A 50 30.278 24.449 115.137 1.00 35.93 N ATOM 294 CA LEU A 50 29.326 24.013 114.102 1.00 34.53 C ATOM 295 C LEU A 50 28.153 24.990 114.075 1.00 34.03 C ATOM 296 O LEU A 50 27.856 25.627 115.085 1.00 34.23 O ATOM 297 CB LEU A 50 28.717 22.635 114.494 1.00 30.82 C ATOM 298 CG LEU A 50 29.662 21.440 114.408 1.00 33.19 C ATOM 299 CD1 LEU A 50 28.969 20.123 114.905 1.00 29.51 C ATOM 300 CD2 LEU A 50 30.157 21.326 112.920 1.00 32.03 C ATOM 301 N PHE A 51 27.452 25.075 112.947 1.00 33.60 N ATOM 302 CA PHE A 51 26.240 25.871 112.927 1.00 30.71 C ATOM 303 C PHE A 51 25.419 25.037 113.928 1.00 30.33 C ATOM 304 O PHE A 51 25.419 23.776 113.854 1.00 30.68 O ATOM 305 CB PHE A 51 25.623 25.846 111.535 1.00 31.88 C ATOM 306 CG PHE A 51 24.266 26.484 111.481 1.00 30.41 C ATOM 307 CD1 PHE A 51 24.130 27.893 111.574 1.00 33.07 C ATOM 308 CD2 PHE A 51 23.141 25.696 111.444 1.00 29.40 C ATOM 309 CE1 PHE A 51 22.837 28.508 111.646 1.00 31.51 C ATOM 310 CE2 PHE A 51 21.869 26.258 111.497 1.00 29.46 C ATOM 311 CZ PHE A 51 21.712 27.691 111.607 1.00 31.47 C ATOM 312 N PRO A 52 24.675 25.697 114.851 1.00 30.78 N ATOM 313 CA PRO A 52 23.924 24.899 115.833 1.00 30.14 C ATOM 314 C PRO A 52 23.197 23.603 115.536 1.00 32.83 C ATOM 315 O PRO A 52 23.315 22.669 116.328 1.00 33.79 O ATOM 316 CB PRO A 52 23.002 25.908 116.503 1.00 28.80 C ATOM 317 CG PRO A 52 23.760 27.258 116.338 1.00 28.65 C ATOM 318 CD PRO A 52 24.398 27.158 114.995 1.00 28.59 C ATOM 319 N THR A 53 22.458 23.520 114.427 1.00 32.76 N ATOM 320 CA THR A 53 21.649 22.334 114.205 1.00 32.17 C ATOM 321 C THR A 53 22.435 21.176 113.618 1.00 32.89 C ATOM 322 O THR A 53 21.888 20.117 113.414 1.00 32.71 O ATOM 323 CB THR A 53 20.390 22.648 113.315 1.00 29.79 C ATOM 324 OG1 THR A 53 20.796 23.014 112.002 1.00 31.57 O ATOM 325 CG2 THR A 53 19.633 23.784 113.861 1.00 29.49 C ATOM 326 N ARG A 54 23.737 21.367 113.414 1.00 31.76 N ATOM 327 CA ARG A 54 24.555 20.288 112.881 1.00 31.08 C ATOM 328 C ARG A 54 25.068 19.500 114.045 1.00 32.13 C ATOM 329 O ARG A 54 25.655 18.451 113.847 1.00 30.54 O ATOM 330 CB ARG A 54 25.804 20.823 112.123 1.00 29.81 C ATOM 331 CG ARG A 54 25.554 21.830 111.029 1.00 28.67 C ATOM 332 CD ARG A 54 24.614 21.401 109.872 1.00 28.45 C ATOM 333 NE ARG A 54 24.320 22.542 108.995 1.00 27.74 N ATOM 334 CZ ARG A 54 23.190 22.689 108.291 1.00 28.45 C ATOM 335 NH1 ARG A 54 22.219 21.785 108.323 1.00 27.47 N ATOM 336 NH2 ARG A 54 23.043 23.756 107.564 1.00 29.42 N ATOM 337 N SER A 55 24.870 20.006 115.273 1.00 33.68 N ATOM 338 CA SER A 55 25.413 19.348 116.475 1.00 31.60 C ATOM 339 C SER A 55 24.931 17.941 116.666 1.00 33.19 C ATOM 340 O SER A 55 23.779 17.616 116.313 1.00 33.11 O ATOM 341 CB SER A 55 25.059 20.164 117.696 1.00 31.06 C ATOM 342 OG SER A 55 25.494 21.535 117.529 1.00 32.74 O ATOM 343 N HIS A 56 25.741 17.135 117.353 1.00 31.62 N ATOM 344 CA HIS A 56 25.381 15.753 117.479 1.00 32.22 C ATOM 345 C HIS A 56 23.999 15.503 118.072 1.00 30.96 C ATOM 346 O HIS A 56 23.412 14.459 117.811 1.00 32.00 O ATOM 347 CB HIS A 56 26.459 14.927 118.263 1.00 30.96 C ATOM 348 CG HIS A 56 26.174 13.443 118.261 1.00 31.05 C ATOM 349 ND1 HIS A 56 26.284 12.678 117.129 1.00 28.43 N ATOM 350 CD2 HIS A 56 25.767 12.595 119.242 1.00 30.04 C ATOM 351 CE1 HIS A 56 25.969 11.421 117.401 1.00 28.75 C ATOM 352 NE2 HIS A 56 25.653 11.344 118.676 1.00 32.11 N ATOM 353 N THR A 57 23.536 16.399 118.927 1.00 31.43 N ATOM 354 CA THR A 57 22.181 16.304 119.529 1.00 32.17 C ATOM 355 C THR A 57 21.134 16.051 118.400 1.00 33.15 C ATOM 356 O THR A 57 20.183 15.303 118.601 1.00 34.84 O ATOM 357 CB THR A 57 21.754 17.617 120.221 1.00 32.78 C ATOM 358 OG1 THR A 57 22.517 17.851 121.419 1.00 32.30 O ATOM 359 CG2 THR A 57 20.219 17.531 120.608 1.00 34.14 C ATOM 360 N VAL A 58 21.322 16.666 117.218 1.00 33.24 N ATOM 361 CA VAL A 58 20.418 16.475 116.079 1.00 30.76 C ATOM 362 C VAL A 58 20.175 15.008 115.615 1.00 32.10 C ATOM 363 O VAL A 58 19.107 14.691 115.061 1.00 28.12 O ATOM 364 CB VAL A 58 20.879 17.343 114.856 1.00 30.66 C ATOM 365 CG1 VAL A 58 22.111 16.763 114.080 1.00 28.20 C ATOM 366 CG2 VAL A 58 19.720 17.492 113.895 1.00 28.37 C ATOM 367 N ALA A 59 21.138 14.121 115.899 1.00 31.52 N ATOM 368 CA ALA A 59 21.092 12.680 115.515 1.00 30.22 C ATOM 369 C ALA A 59 20.403 11.834 116.558 1.00 33.41 C ATOM 370 O ALA A 59 20.265 10.626 116.351 1.00 33.24 O ATOM 371 CB ALA A 59 22.507 12.145 115.375 1.00 31.09 C ATOM 372 N ALA A 60 20.048 12.420 117.716 1.00 32.59 N ATOM 373 CA ALA A 60 19.386 11.604 118.752 1.00 33.83 C ATOM 374 C ALA A 60 18.040 11.074 118.265 1.00 34.28 C ATOM 375 O ALA A 60 17.364 11.716 117.475 1.00 32.08 O ATOM 376 CB ALA A 60 19.265 12.400 120.075 1.00 33.78 C ATOM 377 N GLN A 61 17.655 9.881 118.714 1.00 35.90 N ATOM 378 CA GLN A 61 16.456 9.273 118.165 1.00 35.07 C ATOM 379 C GLN A 61 15.283 8.817 119.059 1.00 36.76 C ATOM 380 O GLN A 61 14.137 9.260 118.867 1.00 35.60 O ATOM 381 CB GLN A 61 16.878 8.069 117.351 1.00 36.81 C ATOM 382 CG GLN A 61 17.961 8.244 116.245 1.00 35.92 C ATOM 383 CD GLN A 61 18.374 6.851 115.630 1.00 37.81 C ATOM 384 OE1 GLN A 61 17.790 5.796 115.991 1.00 37.31 O ATOM 385 NE2 GLN A 61 19.376 6.849 114.740 1.00 35.85 N ATOM 386 N GLY A 62 15.565 7.905 119.994 1.00 35.59 N ATOM 387 CA GLY A 62 14.524 7.311 120.814 1.00 35.90 C ATOM 388 C GLY A 62 13.615 8.169 121.687 1.00 36.50 C ATOM 389 O GLY A 62 12.369 7.979 121.724 1.00 37.86 O ATOM 390 N GLY A 63 14.220 9.108 122.402 1.00 33.72 N ATOM 391 CA GLY A 63 13.420 9.974 123.245 1.00 32.40 C ATOM 392 C GLY A 63 14.109 10.698 124.370 1.00 30.55 C ATOM 393 O GLY A 63 15.373 10.800 124.476 1.00 28.88 O ATOM 394 N ILE A 64 13.247 11.216 125.232 1.00 31.25 N ATOM 395 CA ILE A 64 13.681 11.984 126.425 1.00 30.39 C ATOM 396 C ILE A 64 12.684 11.571 127.490 1.00 31.97 C ATOM 397 O ILE A 64 11.475 11.554 127.251 1.00 35.00 O ATOM 398 CB ILE A 64 13.670 13.524 126.114 1.00 29.82 C ATOM 399 CG1 ILE A 64 14.023 14.373 127.358 1.00 28.85 C ATOM 400 CG2 ILE A 64 12.283 13.922 125.501 1.00 31.42 C ATOM 401 CD1 ILE A 64 14.157 15.914 126.988 1.00 28.82 C ATOM 402 N ASN A 65 13.181 11.164 128.652 1.00 33.45 N ATOM 403 CA ASN A 65 12.317 10.716 129.719 1.00 32.85 C ATOM 404 C ASN A 65 11.729 11.793 130.615 1.00 33.30 C ATOM 405 O ASN A 65 12.389 12.791 130.948 1.00 30.04 O ATOM 406 CB ASN A 65 13.071 9.736 130.635 1.00 33.66 C ATOM 407 CG ASN A 65 13.577 8.496 129.900 1.00 36.08 C ATOM 408 OD1 ASN A 65 12.824 7.845 129.221 1.00 37.64 O ATOM 409 ND2 ASN A 65 14.876 8.170 130.059 1.00 37.68 N ATOM 410 N ALA A 66 10.471 11.554 131.011 1.00 30.67 N ATOM 411 CA ALA A 66 9.813 12.393 131.964 1.00 30.90 C ATOM 412 C ALA A 66 8.586 11.636 132.416 1.00 31.58 C ATOM 413 O ALA A 66 7.861 11.053 131.616 1.00 31.22 O ATOM 414 CB ALA A 66 9.447 13.736 131.390 1.00 25.73 C ATOM 415 N ALA A 67 8.364 11.631 133.714 1.00 32.96 N ATOM 416 CA ALA A 67 7.211 10.920 134.252 1.00 35.30 C ATOM 417 C ALA A 67 5.955 11.776 134.019 1.00 33.98 C ATOM 418 O ALA A 67 5.403 12.310 134.917 1.00 34.54 O ATOM 419 CB ALA A 67 7.420 10.608 135.764 1.00 32.09 C ATOM 420 N LEU A 68 5.523 11.914 132.785 1.00 34.23 N ATOM 421 CA LEU A 68 4.339 12.709 132.513 1.00 35.41 C ATOM 422 C LEU A 68 3.097 11.873 132.839 1.00 36.63 C ATOM 423 O LEU A 68 2.045 12.406 133.030 1.00 38.45 O ATOM 424 CB LEU A 68 4.312 13.100 131.026 1.00 34.92 C ATOM 425 CG LEU A 68 5.307 14.200 130.589 1.00 36.82 C ATOM 426 CD1 LEU A 68 5.117 14.575 129.098 1.00 31.96 C ATOM 427 CD2 LEU A 68 5.041 15.397 131.472 1.00 36.26 C ATOM 428 N GLY A 69 3.218 10.552 132.833 1.00 36.95 N ATOM 429 CA GLY A 69 2.072 9.717 133.098 1.00 36.05 C ATOM 430 C GLY A 69 1.025 9.770 131.991 1.00 37.39 C ATOM 431 O GLY A 69 -0.158 9.652 132.249 1.00 36.78 O ATOM 432 N ASN A 70 1.440 9.928 130.748 1.00 36.27 N ATOM 433 CA ASN A 70 0.486 9.942 129.686 1.00 36.45 C ATOM 434 C ASN A 70 0.069 8.487 129.217 1.00 38.62 C ATOM 435 O ASN A 70 -0.904 8.303 128.438 1.00 37.52 O ATOM 436 CB ASN A 70 1.072 10.670 128.499 1.00 37.03 C ATOM 437 CG ASN A 70 1.314 12.120 128.748 1.00 36.19 C ATOM 438 OD1 ASN A 70 0.711 12.735 129.600 1.00 35.51 O ATOM 439 ND2 ASN A 70 2.200 12.687 127.967 1.00 35.45 N ATOM 440 N MET A 71 0.775 7.457 129.656 1.00 38.20 N ATOM 441 CA MET A 71 0.388 6.108 129.174 1.00 38.68 C ATOM 442 C MET A 71 -0.113 5.266 130.352 1.00 40.51 C ATOM 443 O MET A 71 -0.826 4.278 130.162 1.00 42.90 O ATOM 444 CB MET A 71 1.579 5.352 128.534 1.00 38.26 C ATOM 445 CG MET A 71 2.460 6.102 127.503 1.00 35.94 C ATOM 446 SD MET A 71 1.583 7.019 126.237 1.00 39.88 S ATOM 447 CE MET A 71 1.353 5.697 125.095 1.00 33.86 C ATOM 448 N GLU A 72 0.291 5.647 131.563 1.00 39.82 N ATOM 449 CA GLU A 72 -0.112 4.955 132.762 1.00 41.83 C ATOM 450 C GLU A 72 0.309 5.931 133.844 1.00 41.76 C ATOM 451 O GLU A 72 1.074 6.841 133.568 1.00 43.30 O ATOM 452 CB GLU A 72 0.649 3.603 132.915 1.00 41.36 C ATOM 453 CG GLU A 72 2.124 3.750 133.320 1.00 42.60 C ATOM 454 CD GLU A 72 3.074 3.501 132.149 1.00 46.75 C ATOM 455 OE1 GLU A 72 3.003 2.394 131.571 1.00 47.26 O ATOM 456 OE2 GLU A 72 3.881 4.398 131.789 1.00 46.14 O ATOM 457 N ASP A 73 -0.191 5.758 135.056 1.00 41.71 N ATOM 458 CA ASP A 73 0.212 6.594 136.162 1.00 42.54 C ATOM 459 C ASP A 73 1.714 6.343 136.380 1.00 40.56 C ATOM 460 O ASP A 73 2.215 5.203 136.264 1.00 39.61 O ATOM 461 CB ASP A 73 -0.533 6.223 137.445 1.00 46.15 C ATOM 462 CG ASP A 73 -2.025 6.412 137.329 1.00 52.46 C ATOM 463 OD1 ASP A 73 -2.477 7.392 136.674 1.00 52.87 O ATOM 464 OD2 ASP A 73 -2.751 5.572 137.913 1.00 58.28 O ATOM 465 N ASP A 74 2.415 7.405 136.743 1.00 39.82 N ATOM 466 CA ASP A 74 3.867 7.321 136.902 1.00 38.60 C ATOM 467 C ASP A 74 4.225 8.171 138.110 1.00 39.16 C ATOM 468 O ASP A 74 3.347 8.749 138.769 1.00 38.37 O ATOM 469 CB ASP A 74 4.515 7.819 135.609 1.00 34.71 C ATOM 470 CG ASP A 74 5.964 7.320 135.432 1.00 37.58 C ATOM 471 OD1 ASP A 74 6.487 6.706 136.364 1.00 34.64 O ATOM 472 OD2 ASP A 74 6.602 7.543 134.379 1.00 36.26 O ATOM 473 N ASN A 75 5.504 8.230 138.443 1.00 38.77 N ATOM 474 CA ASN A 75 5.935 9.005 139.585 1.00 37.89 C ATOM 475 C ASN A 75 7.382 9.385 139.254 1.00 37.81 C ATOM 476 O ASN A 75 8.174 8.532 138.892 1.00 37.16 O ATOM 477 CB ASN A 75 5.841 8.115 140.829 1.00 37.69 C ATOM 478 CG ASN A 75 6.053 8.883 142.129 1.00 39.07 C ATOM 479 OD1 ASN A 75 7.021 9.653 142.278 1.00 38.69 O ATOM 480 ND2 ASN A 75 5.147 8.674 143.088 1.00 38.98 N ATOM 481 N TRP A 76 7.737 10.653 139.374 1.00 36.58 N ATOM 482 CA TRP A 76 9.081 11.004 139.002 1.00 36.10 C ATOM 483 C TRP A 76 10.102 10.268 139.874 1.00 36.45 C ATOM 484 O TRP A 76 11.220 9.990 139.412 1.00 37.18 O ATOM 485 CB TRP A 76 9.280 12.546 139.017 1.00 35.15 C ATOM 486 CG TRP A 76 9.250 13.164 140.397 1.00 38.01 C ATOM 487 CD1 TRP A 76 8.156 13.784 141.051 1.00 33.83 C ATOM 488 CD2 TRP A 76 10.332 13.213 141.320 1.00 37.53 C ATOM 489 NE1 TRP A 76 8.546 14.191 142.285 1.00 35.10 N ATOM 490 CE2 TRP A 76 9.858 13.860 142.491 1.00 35.12 C ATOM 491 CE3 TRP A 76 11.671 12.778 141.272 1.00 38.20 C ATOM 492 CZ2 TRP A 76 10.669 14.087 143.601 1.00 35.58 C ATOM 493 CZ3 TRP A 76 12.480 13.013 142.399 1.00 37.54 C ATOM 494 CH2 TRP A 76 11.966 13.669 143.541 1.00 36.29 C ATOM 495 N ARG A 77 9.720 9.935 141.112 1.00 35.10 N ATOM 496 CA ARG A 77 10.617 9.227 142.000 1.00 35.14 C ATOM 497 C ARG A 77 10.909 7.804 141.509 1.00 35.36 C ATOM 498 O ARG A 77 11.988 7.236 141.805 1.00 35.73 O ATOM 499 CB ARG A 77 10.065 9.212 143.416 1.00 33.93 C ATOM 500 CG ARG A 77 9.683 10.627 143.865 1.00 35.47 C ATOM 501 CD ARG A 77 8.935 10.602 145.257 1.00 31.92 C ATOM 502 NE ARG A 77 8.445 11.917 145.633 1.00 31.09 N ATOM 503 CZ ARG A 77 7.411 12.514 145.039 1.00 34.62 C ATOM 504 NH1 ARG A 77 6.781 11.877 144.046 1.00 34.42 N ATOM 505 NH2 ARG A 77 7.017 13.741 145.418 1.00 32.40 N ATOM 506 N TRP A 78 10.000 7.249 140.735 1.00 34.33 N ATOM 507 CA TRP A 78 10.231 5.932 140.140 1.00 36.34 C ATOM 508 C TRP A 78 11.353 6.098 139.076 1.00 37.49 C ATOM 509 O TRP A 78 12.215 5.201 138.900 1.00 35.73 O ATOM 510 CB TRP A 78 8.959 5.459 139.464 1.00 35.67 C ATOM 511 CG TRP A 78 7.906 5.191 140.435 1.00 36.76 C ATOM 512 CD1 TRP A 78 8.043 5.119 141.800 1.00 37.15 C ATOM 513 CD2 TRP A 78 6.544 4.847 140.142 1.00 39.47 C ATOM 514 NE1 TRP A 78 6.843 4.744 142.385 1.00 39.04 N ATOM 515 CE2 TRP A 78 5.901 4.577 141.394 1.00 39.47 C ATOM 516 CE3 TRP A 78 5.796 4.728 138.941 1.00 38.22 C ATOM 517 CZ2 TRP A 78 4.529 4.206 141.477 1.00 38.22 C ATOM 518 CZ3 TRP A 78 4.436 4.349 139.022 1.00 38.58 C ATOM 519 CH2 TRP A 78 3.817 4.097 140.291 1.00 37.53 C ATOM 520 N HIS A 79 11.365 7.279 138.425 1.00 35.52 N ATOM 521 CA HIS A 79 12.356 7.573 137.412 1.00 35.53 C ATOM 522 C HIS A 79 13.681 7.756 138.128 1.00 35.87 C ATOM 523 O HIS A 79 14.722 7.267 137.654 1.00 35.95 O ATOM 524 CB HIS A 79 11.900 8.805 136.618 1.00 35.15 C ATOM 525 CG HIS A 79 12.783 9.189 135.468 1.00 37.22 C ATOM 526 ND1 HIS A 79 12.626 10.384 134.787 1.00 36.27 N ATOM 527 CD2 HIS A 79 13.894 8.608 134.952 1.00 36.42 C ATOM 528 CE1 HIS A 79 13.605 10.524 133.915 1.00 36.80 C ATOM 529 NE2 HIS A 79 14.395 9.460 133.997 1.00 36.51 N ATOM 530 N PHE A 80 13.635 8.438 139.280 1.00 37.52 N ATOM 531 CA PHE A 80 14.823 8.690 140.133 1.00 38.63 C ATOM 532 C PHE A 80 15.512 7.361 140.457 1.00 40.00 C ATOM 533 O PHE A 80 16.746 7.179 140.286 1.00 39.86 O ATOM 534 CB PHE A 80 14.403 9.378 141.452 1.00 38.17 C ATOM 535 CG PHE A 80 15.483 9.385 142.532 1.00 38.35 C ATOM 536 CD1 PHE A 80 16.509 10.343 142.529 1.00 38.15 C ATOM 537 CD2 PHE A 80 15.500 8.408 143.526 1.00 37.71 C ATOM 538 CE1 PHE A 80 17.542 10.334 143.474 1.00 37.05 C ATOM 539 CE2 PHE A 80 16.536 8.395 144.484 1.00 38.68 C ATOM 540 CZ PHE A 80 17.567 9.369 144.446 1.00 36.59 C ATOM 541 N TYR A 81 14.687 6.429 140.921 1.00 40.36 N ATOM 542 CA TYR A 81 15.150 5.108 141.301 1.00 40.19 C ATOM 543 C TYR A 81 15.824 4.370 140.155 1.00 39.53 C ATOM 544 O TYR A 81 16.883 3.742 140.312 1.00 39.65 O ATOM 545 CB TYR A 81 13.977 4.278 141.789 1.00 38.79 C ATOM 546 CG TYR A 81 14.367 2.853 142.116 1.00 37.74 C ATOM 547 CD1 TYR A 81 14.940 2.545 143.350 1.00 39.69 C ATOM 548 CD2 TYR A 81 14.212 1.849 141.192 1.00 35.48 C ATOM 549 CE1 TYR A 81 15.359 1.248 143.642 1.00 41.48 C ATOM 550 CE2 TYR A 81 14.608 0.557 141.450 1.00 37.89 C ATOM 551 CZ TYR A 81 15.190 0.260 142.678 1.00 41.58 C ATOM 552 OH TYR A 81 15.688 -0.988 142.973 1.00 43.93 O ATOM 553 N ASP A 82 15.143 4.389 139.016 1.00 37.92 N ATOM 554 CA ASP A 82 15.648 3.767 137.842 1.00 35.29 C ATOM 555 C ASP A 82 17.026 4.317 137.479 1.00 35.76 C ATOM 556 O ASP A 82 17.917 3.568 137.139 1.00 34.92 O ATOM 557 CB ASP A 82 14.642 3.939 136.698 1.00 36.04 C ATOM 558 CG ASP A 82 13.389 2.982 136.835 1.00 40.66 C ATOM 559 OD1 ASP A 82 13.500 1.873 137.453 1.00 40.73 O ATOM 560 OD2 ASP A 82 12.277 3.315 136.323 1.00 36.27 O ATOM 561 N THR A 83 17.204 5.633 137.573 1.00 35.00 N ATOM 562 CA THR A 83 18.441 6.258 137.200 1.00 34.82 C ATOM 563 C THR A 83 19.562 5.934 138.175 1.00 35.43 C ATOM 564 O THR A 83 20.676 5.651 137.757 1.00 37.77 O ATOM 565 CB THR A 83 18.199 7.785 137.042 1.00 36.95 C ATOM 566 OG1 THR A 83 17.146 7.973 136.076 1.00 37.91 O ATOM 567 CG2 THR A 83 19.442 8.504 136.567 1.00 31.91 C ATOM 568 N VAL A 84 19.270 5.956 139.469 1.00 36.52 N ATOM 569 CA VAL A 84 20.234 5.617 140.463 1.00 36.58 C ATOM 570 C VAL A 84 20.646 4.133 140.304 1.00 37.79 C ATOM 571 O VAL A 84 21.849 3.790 140.340 1.00 37.62 O ATOM 572 CB VAL A 84 19.683 5.840 141.899 1.00 37.43 C ATOM 573 CG1 VAL A 84 20.712 5.295 142.897 1.00 36.68 C ATOM 574 CG2 VAL A 84 19.416 7.347 142.189 1.00 34.96 C ATOM 575 N LYS A 85 19.686 3.239 140.137 1.00 37.89 N ATOM 576 CA LYS A 85 20.074 1.835 139.973 1.00 38.17 C ATOM 577 C LYS A 85 20.903 1.716 138.687 1.00 39.95 C ATOM 578 O LYS A 85 21.987 1.081 138.673 1.00 39.33 O ATOM 579 CB LYS A 85 18.861 0.966 139.838 1.00 37.37 C ATOM 580 CG LYS A 85 19.232 -0.500 139.619 1.00 39.47 C ATOM 581 CD LYS A 85 18.003 -1.358 139.387 1.00 40.39 C ATOM 582 CE LYS A 85 18.375 -2.830 139.229 1.00 41.32 C ATOM 583 NZ LYS A 85 17.143 -3.647 138.983 1.00 44.20 N ATOM 584 N GLY A 86 20.393 2.331 137.608 1.00 38.87 N ATOM 585 CA GLY A 86 21.108 2.290 136.358 1.00 37.40 C ATOM 586 C GLY A 86 22.520 2.831 136.524 1.00 38.52 C ATOM 587 O GLY A 86 23.434 2.335 135.941 1.00 40.13 O ATOM 588 N SER A 87 22.734 3.870 137.305 1.00 38.44 N ATOM 589 CA SER A 87 24.067 4.385 137.416 1.00 37.57 C ATOM 590 C SER A 87 24.991 3.436 138.179 1.00 38.61 C ATOM 591 O SER A 87 26.178 3.656 138.246 1.00 38.77 O ATOM 592 CB SER A 87 24.025 5.759 138.119 1.00 36.82 C ATOM 593 OG SER A 87 23.888 5.617 139.530 1.00 37.49 O ATOM 594 N ASP A 88 24.434 2.396 138.786 1.00 40.50 N ATOM 595 CA ASP A 88 25.188 1.416 139.567 1.00 38.87 C ATOM 596 C ASP A 88 25.833 2.115 140.694 1.00 39.52 C ATOM 597 O ASP A 88 26.970 1.842 141.051 1.00 38.12 O ATOM 598 CB ASP A 88 26.260 0.692 138.740 1.00 39.48 C ATOM 599 CG ASP A 88 26.522 -0.771 139.227 1.00 39.13 C ATOM 600 OD1 ASP A 88 26.021 -1.134 140.314 1.00 37.56 O ATOM 601 OD2 ASP A 88 27.225 -1.526 138.517 1.00 35.01 O ATOM 602 N TRP A 89 25.098 3.078 141.241 1.00 39.76 N ATOM 603 CA TRP A 89 25.554 3.818 142.400 1.00 37.46 C ATOM 604 C TRP A 89 26.849 4.590 142.262 1.00 38.97 C ATOM 605 O TRP A 89 27.580 4.831 143.263 1.00 38.37 O ATOM 606 CB TRP A 89 25.573 2.896 143.648 1.00 38.37 C ATOM 607 CG TRP A 89 24.123 2.568 144.139 1.00 35.89 C ATOM 608 CD1 TRP A 89 23.301 3.332 144.954 1.00 34.14 C ATOM 609 CD2 TRP A 89 23.307 1.509 143.630 1.00 34.48 C ATOM 610 NE1 TRP A 89 22.008 2.800 144.950 1.00 34.52 N ATOM 611 CE2 TRP A 89 21.998 1.684 144.148 1.00 34.33 C ATOM 612 CE3 TRP A 89 23.560 0.431 142.779 1.00 34.04 C ATOM 613 CZ2 TRP A 89 20.960 0.804 143.848 1.00 36.36 C ATOM 614 CZ3 TRP A 89 22.511 -0.463 142.469 1.00 34.76 C ATOM 615 CH2 TRP A 89 21.231 -0.267 143.009 1.00 34.64 C ATOM 616 N LEU A 90 27.162 5.009 141.041 1.00 37.65 N ATOM 617 CA LEU A 90 28.327 5.868 140.948 1.00 37.30 C ATOM 618 C LEU A 90 27.702 7.287 140.651 1.00 38.88 C ATOM 619 O LEU A 90 28.407 8.305 140.490 1.00 37.76 O ATOM 620 CB LEU A 90 29.252 5.383 139.849 1.00 36.29 C ATOM 621 CG LEU A 90 30.453 6.295 139.732 1.00 39.92 C ATOM 622 CD1 LEU A 90 31.382 6.199 140.994 1.00 42.66 C ATOM 623 CD2 LEU A 90 31.182 5.902 138.488 1.00 39.79 C ATOM 624 N GLY A 91 26.363 7.341 140.621 1.00 37.24 N ATOM 625 CA GLY A 91 25.685 8.588 140.325 1.00 35.27 C ATOM 626 C GLY A 91 25.401 9.364 141.567 1.00 35.20 C ATOM 627 O GLY A 91 25.163 8.774 142.597 1.00 36.16 O ATOM 628 N ASP A 92 25.447 10.681 141.471 1.00 33.87 N ATOM 629 CA ASP A 92 25.209 11.529 142.601 1.00 36.01 C ATOM 630 C ASP A 92 23.672 11.702 142.664 1.00 36.94 C ATOM 631 O ASP A 92 23.044 12.240 141.764 1.00 36.42 O ATOM 632 CB ASP A 92 25.970 12.852 142.367 1.00 36.26 C ATOM 633 CG ASP A 92 27.465 12.620 142.201 1.00 39.16 C ATOM 634 OD1 ASP A 92 28.094 11.869 143.004 1.00 38.95 O ATOM 635 OD2 ASP A 92 28.053 13.182 141.273 1.00 42.31 O ATOM 636 N GLN A 93 23.083 11.268 143.756 1.00 38.20 N ATOM 637 CA GLN A 93 21.631 11.296 143.891 1.00 37.20 C ATOM 638 C GLN A 93 21.007 12.656 144.045 1.00 37.24 C ATOM 639 O GLN A 93 19.775 12.812 143.869 1.00 38.41 O ATOM 640 CB GLN A 93 21.257 10.331 145.029 1.00 38.70 C ATOM 641 CG GLN A 93 21.805 8.956 144.726 1.00 35.47 C ATOM 642 CD GLN A 93 21.277 7.921 145.677 1.00 38.10 C ATOM 643 OE1 GLN A 93 20.118 8.011 146.123 1.00 36.72 O ATOM 644 NE2 GLN A 93 22.114 6.902 145.995 1.00 34.78 N ATOM 645 N ASP A 94 21.820 13.658 144.370 1.00 36.41 N ATOM 646 CA ASP A 94 21.261 14.998 144.482 1.00 36.14 C ATOM 647 C ASP A 94 20.997 15.469 143.080 1.00 36.74 C ATOM 648 O ASP A 94 19.900 15.931 142.807 1.00 38.43 O ATOM 649 CB ASP A 94 22.162 15.965 145.270 1.00 37.66 C ATOM 650 CG ASP A 94 23.625 16.063 144.729 1.00 38.06 C ATOM 651 OD1 ASP A 94 24.119 15.195 143.981 1.00 37.96 O ATOM 652 OD2 ASP A 94 24.288 17.044 145.110 1.00 41.39 O ATOM 653 N ALA A 95 21.948 15.248 142.167 1.00 35.55 N ATOM 654 CA ALA A 95 21.799 15.641 140.764 1.00 33.89 C ATOM 655 C ALA A 95 20.697 14.844 140.125 1.00 32.97 C ATOM 656 O ALA A 95 19.908 15.409 139.351 1.00 33.40 O ATOM 657 CB ALA A 95 23.105 15.409 139.979 1.00 34.39 C ATOM 658 N ILE A 96 20.661 13.522 140.410 1.00 31.87 N ATOM 659 CA ILE A 96 19.638 12.637 139.873 1.00 29.89 C ATOM 660 C ILE A 96 18.277 13.045 140.405 1.00 30.84 C ATOM 661 O ILE A 96 17.309 12.971 139.698 1.00 33.39 O ATOM 662 CB ILE A 96 19.892 11.177 140.243 1.00 30.31 C ATOM 663 CG1 ILE A 96 21.261 10.759 139.673 1.00 30.50 C ATOM 664 CG2 ILE A 96 18.743 10.308 139.717 1.00 28.26 C ATOM 665 CD1 ILE A 96 21.594 9.226 139.695 1.00 28.94 C ATOM 666 N HIS A 97 18.208 13.511 141.634 1.00 33.10 N ATOM 667 CA HIS A 97 16.923 13.927 142.197 1.00 36.31 C ATOM 668 C HIS A 97 16.443 15.105 141.350 1.00 36.82 C ATOM 669 O HIS A 97 15.280 15.114 140.852 1.00 36.05 O ATOM 670 CB HIS A 97 17.122 14.376 143.657 1.00 35.13 C ATOM 671 CG HIS A 97 15.888 14.826 144.384 1.00 36.95 C ATOM 672 ND1 HIS A 97 14.826 15.464 143.768 1.00 43.17 N ATOM 673 CD2 HIS A 97 15.627 14.891 145.709 1.00 36.05 C ATOM 674 CE1 HIS A 97 13.981 15.915 144.678 1.00 39.19 C ATOM 675 NE2 HIS A 97 14.443 15.576 145.865 1.00 38.69 N ATOM 676 N TYR A 98 17.332 16.086 141.193 1.00 36.58 N ATOM 677 CA TYR A 98 17.019 17.327 140.457 1.00 36.14 C ATOM 678 C TYR A 98 16.621 17.023 139.044 1.00 36.19 C ATOM 679 O TYR A 98 15.617 17.511 138.530 1.00 37.12 O ATOM 680 CB TYR A 98 18.243 18.244 140.444 1.00 34.33 C ATOM 681 CG TYR A 98 17.994 19.562 139.792 1.00 34.68 C ATOM 682 CD1 TYR A 98 18.282 19.769 138.461 1.00 33.74 C ATOM 683 CD2 TYR A 98 17.392 20.601 140.509 1.00 36.22 C ATOM 684 CE1 TYR A 98 17.976 20.937 137.861 1.00 35.58 C ATOM 685 CE2 TYR A 98 17.065 21.814 139.900 1.00 36.83 C ATOM 686 CZ TYR A 98 17.353 21.967 138.568 1.00 37.91 C ATOM 687 OH TYR A 98 16.892 23.092 137.922 1.00 36.93 O ATOM 688 N MET A 99 17.398 16.156 138.399 1.00 37.63 N ATOM 689 CA MET A 99 17.101 15.826 137.014 1.00 34.59 C ATOM 690 C MET A 99 15.748 15.210 136.791 1.00 34.94 C ATOM 691 O MET A 99 15.008 15.633 135.914 1.00 31.75 O ATOM 692 CB MET A 99 18.147 14.902 136.443 1.00 35.74 C ATOM 693 CG MET A 99 17.915 14.781 134.962 1.00 37.00 C ATOM 694 SD MET A 99 19.008 13.706 133.966 1.00 39.58 S ATOM 695 CE MET A 99 18.728 11.992 134.634 1.00 32.21 C ATOM 696 N THR A 100 15.426 14.184 137.576 1.00 35.52 N ATOM 697 CA THR A 100 14.139 13.494 137.418 1.00 33.69 C ATOM 698 C THR A 100 12.935 14.279 137.942 1.00 34.93 C ATOM 699 O THR A 100 11.825 14.169 137.398 1.00 35.71 O ATOM 700 CB THR A 100 14.193 12.119 138.061 1.00 32.66 C ATOM 701 OG1 THR A 100 14.630 12.235 139.439 1.00 28.30 O ATOM 702 CG2 THR A 100 15.186 11.233 137.264 1.00 31.85 C ATOM 703 N GLU A 101 13.135 15.101 138.958 1.00 35.24 N ATOM 704 CA GLU A 101 11.991 15.824 139.417 1.00 37.08 C ATOM 705 C GLU A 101 11.751 16.913 138.433 1.00 37.90 C ATOM 706 O GLU A 101 10.601 17.225 138.124 1.00 35.33 O ATOM 707 CB GLU A 101 12.189 16.384 140.811 1.00 40.90 C ATOM 708 CG GLU A 101 10.971 17.141 141.361 1.00 43.51 C ATOM 709 CD GLU A 101 11.258 17.853 142.712 1.00 44.62 C ATOM 710 OE1 GLU A 101 12.423 17.988 143.137 1.00 43.27 O ATOM 711 OE2 GLU A 101 10.286 18.284 143.354 1.00 46.16 O ATOM 712 N GLN A 102 12.827 17.483 137.887 1.00 36.54 N ATOM 713 CA GLN A 102 12.606 18.550 136.894 1.00 35.34 C ATOM 714 C GLN A 102 12.112 18.082 135.503 1.00 33.47 C ATOM 715 O GLN A 102 11.707 18.919 134.675 1.00 33.91 O ATOM 716 CB GLN A 102 13.925 19.336 136.657 1.00 33.82 C ATOM 717 CG GLN A 102 14.347 20.251 137.820 1.00 35.66 C ATOM 718 CD GLN A 102 13.188 21.044 138.449 1.00 36.24 C ATOM 719 OE1 GLN A 102 12.500 21.845 137.805 1.00 33.99 O ATOM 720 NE2 GLN A 102 13.009 20.837 139.742 1.00 37.29 N ATOM 721 N ALA A 103 12.157 16.767 135.227 1.00 30.42 N ATOM 722 CA ALA A 103 11.881 16.286 133.881 1.00 28.00 C ATOM 723 C ALA A 103 10.569 16.625 133.218 1.00 28.19 C ATOM 724 O ALA A 103 10.544 17.014 132.058 1.00 29.27 O ATOM 725 CB ALA A 103 12.193 14.671 133.771 1.00 27.71 C ATOM 726 N PRO A 104 9.456 16.475 133.923 1.00 29.48 N ATOM 727 CA PRO A 104 8.117 16.767 133.387 1.00 30.12 C ATOM 728 C PRO A 104 8.033 18.212 132.950 1.00 31.30 C ATOM 729 O PRO A 104 7.505 18.488 131.894 1.00 34.97 O ATOM 730 CB PRO A 104 7.180 16.499 134.605 1.00 28.70 C ATOM 731 CG PRO A 104 8.006 15.408 135.360 1.00 31.69 C ATOM 732 CD PRO A 104 9.364 16.108 135.333 1.00 28.31 C ATOM 733 N ALA A 105 8.556 19.139 133.751 1.00 31.24 N ATOM 734 CA ALA A 105 8.451 20.546 133.373 1.00 31.73 C ATOM 735 C ALA A 105 9.412 20.836 132.214 1.00 32.29 C ATOM 736 O ALA A 105 9.180 21.700 131.374 1.00 35.86 O ATOM 737 CB ALA A 105 8.813 21.436 134.605 1.00 29.88 C ATOM 738 N ALA A 106 10.501 20.100 132.125 1.00 33.15 N ATOM 739 CA ALA A 106 11.474 20.405 131.091 1.00 30.65 C ATOM 740 C ALA A 106 10.922 19.977 129.747 1.00 31.35 C ATOM 741 O ALA A 106 11.148 20.599 128.706 1.00 31.43 O ATOM 742 CB ALA A 106 12.748 19.686 131.409 1.00 29.12 C ATOM 743 N VAL A 107 10.195 18.882 129.776 1.00 32.05 N ATOM 744 CA VAL A 107 9.624 18.352 128.577 1.00 32.08 C ATOM 745 C VAL A 107 8.415 19.179 128.207 1.00 31.70 C ATOM 746 O VAL A 107 8.248 19.508 127.039 1.00 33.01 O ATOM 747 CB VAL A 107 9.204 16.868 128.755 1.00 32.17 C ATOM 748 CG1 VAL A 107 8.219 16.492 127.668 1.00 30.18 C ATOM 749 CG2 VAL A 107 10.450 15.990 128.643 1.00 30.47 C ATOM 750 N ILE A 108 7.569 19.506 129.168 1.00 32.48 N ATOM 751 CA ILE A 108 6.409 20.309 128.845 1.00 33.92 C ATOM 752 C ILE A 108 6.937 21.606 128.218 1.00 34.05 C ATOM 753 O ILE A 108 6.333 22.117 127.271 1.00 34.30 O ATOM 754 CB ILE A 108 5.551 20.625 130.094 1.00 36.39 C ATOM 755 CG1 ILE A 108 4.727 19.389 130.430 1.00 36.91 C ATOM 756 CG2 ILE A 108 4.571 21.826 129.802 1.00 35.11 C ATOM 757 CD1 ILE A 108 4.180 19.348 131.885 1.00 34.67 C ATOM 758 N GLU A 109 8.086 22.084 128.689 1.00 32.74 N ATOM 759 CA GLU A 109 8.680 23.302 128.129 1.00 33.61 C ATOM 760 C GLU A 109 9.001 23.132 126.635 1.00 34.45 C ATOM 761 O GLU A 109 8.750 24.039 125.779 1.00 34.59 O ATOM 762 CB GLU A 109 10.018 23.650 128.857 1.00 35.90 C ATOM 763 CG GLU A 109 10.596 24.985 128.433 1.00 36.60 C ATOM 764 CD GLU A 109 11.929 25.335 129.092 1.00 39.93 C ATOM 765 OE1 GLU A 109 12.964 24.733 128.713 1.00 40.71 O ATOM 766 OE2 GLU A 109 11.931 26.228 129.972 1.00 39.76 O ATOM 767 N LEU A 110 9.581 21.982 126.292 1.00 32.93 N ATOM 768 CA LEU A 110 9.920 21.789 124.914 1.00 32.90 C ATOM 769 C LEU A 110 8.611 21.728 124.113 1.00 32.19 C ATOM 770 O LEU A 110 8.490 22.444 123.089 1.00 33.85 O ATOM 771 CB LEU A 110 10.771 20.519 124.722 1.00 31.14 C ATOM 772 CG LEU A 110 12.226 20.581 125.272 1.00 33.74 C ATOM 773 CD1 LEU A 110 12.864 19.192 125.505 1.00 30.22 C ATOM 774 CD2 LEU A 110 13.068 21.423 124.342 1.00 28.78 C ATOM 775 N GLU A 111 7.630 20.936 124.566 1.00 31.27 N ATOM 776 CA GLU A 111 6.376 20.835 123.800 1.00 32.35 C ATOM 777 C GLU A 111 5.798 22.219 123.561 1.00 32.13 C ATOM 778 O GLU A 111 5.484 22.543 122.423 1.00 33.99 O ATOM 779 CB GLU A 111 5.376 19.924 124.460 1.00 32.97 C ATOM 780 CG GLU A 111 4.223 19.526 123.557 1.00 30.33 C ATOM 781 CD GLU A 111 3.192 20.651 123.537 1.00 32.35 C ATOM 782 OE1 GLU A 111 3.024 21.292 124.568 1.00 34.30 O ATOM 783 OE2 GLU A 111 2.562 20.945 122.497 1.00 35.86 O ATOM 784 N ASN A 112 5.810 23.073 124.585 1.00 32.59 N ATOM 785 CA ASN A 112 5.281 24.462 124.476 1.00 34.35 C ATOM 786 C ASN A 112 6.073 25.345 123.527 1.00 33.74 C ATOM 787 O ASN A 112 5.577 26.325 123.048 1.00 37.25 O ATOM 788 CB ASN A 112 5.207 25.110 125.888 1.00 34.68 C ATOM 789 CG ASN A 112 3.984 24.624 126.724 1.00 35.33 C ATOM 790 OD1 ASN A 112 3.300 23.603 126.418 1.00 35.68 O ATOM 791 ND2 ASN A 112 3.711 25.345 127.767 1.00 35.25 N ATOM 792 N TYR A 113 7.327 25.010 123.297 1.00 33.68 N ATOM 793 CA TYR A 113 8.169 25.710 122.384 1.00 32.06 C ATOM 794 C TYR A 113 7.768 25.333 120.977 1.00 33.40 C ATOM 795 O TYR A 113 8.151 26.007 120.001 1.00 35.34 O ATOM 796 CB TYR A 113 9.618 25.298 122.554 1.00 31.05 C ATOM 797 CG TYR A 113 10.259 25.882 123.735 1.00 35.25 C ATOM 798 CD1 TYR A 113 11.480 25.373 124.188 1.00 35.24 C ATOM 799 CD2 TYR A 113 9.703 26.976 124.409 1.00 35.60 C ATOM 800 CE1 TYR A 113 12.122 25.929 125.246 1.00 35.00 C ATOM 801 CE2 TYR A 113 10.353 27.540 125.497 1.00 33.12 C ATOM 802 CZ TYR A 113 11.575 27.004 125.886 1.00 36.31 C ATOM 803 OH TYR A 113 12.378 27.554 126.853 1.00 39.07 O ATOM 804 N GLY A 114 7.036 24.225 120.847 1.00 34.97 N ATOM 805 CA GLY A 114 6.576 23.773 119.537 1.00 31.81 C ATOM 806 C GLY A 114 7.121 22.406 119.118 1.00 32.04 C ATOM 807 O GLY A 114 6.813 21.930 118.055 1.00 33.48 O ATOM 808 N MET A 115 7.918 21.758 119.959 1.00 31.50 N ATOM 809 CA MET A 115 8.497 20.473 119.611 1.00 29.09 C ATOM 810 C MET A 115 7.383 19.551 119.181 1.00 27.49 C ATOM 811 O MET A 115 6.520 19.227 119.939 1.00 27.04 O ATOM 812 CB MET A 115 9.286 19.875 120.788 1.00 29.06 C ATOM 813 CG MET A 115 9.919 18.531 120.452 1.00 31.22 C ATOM 814 SD MET A 115 11.250 17.995 121.558 1.00 38.09 S ATOM 815 CE MET A 115 11.539 19.183 122.132 1.00 35.62 C ATOM 816 N PRO A 116 7.438 19.059 117.964 1.00 27.44 N ATOM 817 CA PRO A 116 6.357 18.180 117.521 1.00 28.56 C ATOM 818 C PRO A 116 6.326 16.720 118.009 1.00 31.07 C ATOM 819 O PRO A 116 6.456 15.798 117.174 1.00 31.09 O ATOM 820 CB PRO A 116 6.482 18.247 115.999 1.00 26.62 C ATOM 821 CG PRO A 116 8.076 18.182 115.866 1.00 25.05 C ATOM 822 CD PRO A 116 8.506 19.179 116.947 1.00 26.82 C ATOM 823 N PHE A 117 6.112 16.519 119.303 1.00 30.31 N ATOM 824 CA PHE A 117 6.013 15.177 119.872 1.00 31.70 C ATOM 825 C PHE A 117 4.872 14.451 119.215 1.00 33.68 C ATOM 826 O PHE A 117 3.862 15.106 118.798 1.00 33.61 O ATOM 827 CB PHE A 117 5.680 15.219 121.369 1.00 28.19 C ATOM 828 CG PHE A 117 6.854 15.556 122.263 1.00 30.26 C ATOM 829 CD1 PHE A 117 7.804 14.586 122.531 1.00 25.77 C ATOM 830 CD2 PHE A 117 7.046 16.872 122.757 1.00 26.31 C ATOM 831 CE1 PHE A 117 8.954 14.897 123.269 1.00 28.42 C ATOM 832 CE2 PHE A 117 8.175 17.209 123.482 1.00 28.80 C ATOM 833 CZ PHE A 117 9.167 16.180 123.745 1.00 26.54 C ATOM 834 N SER A 118 5.042 13.116 119.134 1.00 32.64 N ATOM 835 CA SER A 118 4.051 12.191 118.607 1.00 32.10 C ATOM 836 C SER A 118 2.925 12.268 119.613 1.00 33.05 C ATOM 837 O SER A 118 3.141 12.681 120.725 1.00 32.34 O ATOM 838 CB SER A 118 4.625 10.736 118.538 1.00 33.21 C ATOM 839 OG SER A 118 5.557 10.575 117.415 1.00 30.56 O ATOM 840 N ARG A 119 1.728 11.840 119.261 1.00 34.92 N ATOM 841 CA ARG A 119 0.596 12.007 120.173 1.00 36.22 C ATOM 842 C ARG A 119 -0.176 10.719 120.506 1.00 38.74 C ATOM 843 O ARG A 119 -0.148 9.717 119.760 1.00 39.26 O ATOM 844 CB ARG A 119 -0.352 13.044 119.550 1.00 33.97 C ATOM 845 CG ARG A 119 0.320 14.429 119.332 1.00 33.40 C ATOM 846 CD ARG A 119 0.507 15.146 120.663 1.00 34.24 C ATOM 847 NE ARG A 119 1.332 16.317 120.497 1.00 35.52 N ATOM 848 CZ ARG A 119 1.386 17.283 121.384 1.00 36.32 C ATOM 849 NH1 ARG A 119 0.659 17.157 122.465 1.00 38.58 N ATOM 850 NH2 ARG A 119 2.110 18.394 121.183 1.00 36.67 N ATOM 851 N THR A 120 -0.826 10.743 121.651 1.00 39.55 N ATOM 852 CA THR A 120 -1.642 9.634 122.132 1.00 44.39 C ATOM 853 C THR A 120 -3.104 9.929 121.731 1.00 45.26 C ATOM 854 O THR A 120 -3.412 10.999 121.203 1.00 42.61 O ATOM 855 CB THR A 120 -1.527 9.543 123.681 1.00 45.31 C ATOM 856 OG1 THR A 120 -0.188 9.183 124.066 1.00 49.53 O ATOM 857 CG2 THR A 120 -2.505 8.604 124.246 1.00 52.23 C ATOM 858 N GLU A 121 -4.016 8.995 121.972 1.00 47.85 N ATOM 859 CA GLU A 121 -5.419 9.244 121.595 1.00 50.22 C ATOM 860 C GLU A 121 -6.014 10.411 122.345 1.00 49.75 C ATOM 861 O GLU A 121 -7.041 10.896 121.939 1.00 50.12 O ATOM 862 CB GLU A 121 -6.305 8.027 121.826 1.00 53.88 C ATOM 863 CG GLU A 121 -6.377 7.047 120.640 1.00 61.08 C ATOM 864 CD GLU A 121 -6.922 7.683 119.344 1.00 65.03 C ATOM 865 OE1 GLU A 121 -7.519 8.799 119.416 1.00 68.27 O ATOM 866 OE2 GLU A 121 -6.758 7.054 118.256 1.00 66.97 O ATOM 867 N GLU A 122 -5.369 10.846 123.426 1.00 48.14 N ATOM 868 CA GLU A 122 -5.818 11.953 124.243 1.00 48.47 C ATOM 869 C GLU A 122 -5.213 13.290 123.833 1.00 46.35 C ATOM 870 O GLU A 122 -5.472 14.298 124.455 1.00 47.09 O ATOM 871 CB GLU A 122 -5.455 11.721 125.707 1.00 53.26 C ATOM 872 CG GLU A 122 -5.975 10.438 126.358 1.00 61.43 C ATOM 873 CD GLU A 122 -5.583 10.351 127.863 1.00 66.68 C ATOM 874 OE1 GLU A 122 -5.290 11.421 128.491 1.00 68.51 O ATOM 875 OE2 GLU A 122 -5.581 9.214 128.420 1.00 70.00 O ATOM 876 N GLY A 123 -4.377 13.286 122.811 1.00 44.82 N ATOM 877 CA GLY A 123 -3.749 14.507 122.354 1.00 42.05 C ATOM 878 C GLY A 123 -2.505 14.906 123.154 1.00 40.19 C ATOM 879 O GLY A 123 -1.993 16.048 122.991 1.00 37.98 O ATOM 880 N LYS A 124 -2.066 13.991 124.018 1.00 35.34 N ATOM 881 CA LYS A 124 -0.891 14.189 124.880 1.00 36.38 C ATOM 882 C LYS A 124 0.361 13.566 124.284 1.00 35.22 C ATOM 883 O LYS A 124 0.297 12.799 123.302 1.00 37.39 O ATOM 884 CB LYS A 124 -1.126 13.567 126.245 1.00 35.99 C ATOM 885 CG LYS A 124 -2.305 14.221 126.997 1.00 39.90 C ATOM 886 CD LYS A 124 -2.463 13.719 128.385 1.00 39.79 C ATOM 887 CE LYS A 124 -3.454 14.576 129.131 1.00 42.02 C ATOM 888 NZ LYS A 124 -3.928 13.658 130.224 1.00 47.41 N ATOM 889 N ILE A 125 1.504 13.911 124.858 1.00 34.72 N ATOM 890 CA ILE A 125 2.771 13.390 124.379 1.00 32.61 C ATOM 891 C ILE A 125 2.861 11.856 124.526 1.00 32.11 C ATOM 892 O ILE A 125 2.745 11.328 125.615 1.00 31.53 O ATOM 893 CB ILE A 125 3.938 14.024 125.150 1.00 32.34 C ATOM 894 CG1 ILE A 125 3.954 15.524 124.842 1.00 31.35 C ATOM 895 CG2 ILE A 125 5.278 13.286 124.801 1.00 30.74 C ATOM 896 CD1 ILE A 125 4.998 16.299 125.667 1.00 28.80 C ATOM 897 N TYR A 126 3.085 11.170 123.423 1.00 31.72 N ATOM 898 CA TYR A 126 3.211 9.699 123.384 1.00 33.60 C ATOM 899 C TYR A 126 4.579 9.292 123.951 1.00 35.12 C ATOM 900 O TYR A 126 5.603 9.896 123.621 1.00 35.94 O ATOM 901 CB TYR A 126 3.069 9.223 121.907 1.00 33.02 C ATOM 902 CG TYR A 126 3.611 7.841 121.690 1.00 35.03 C ATOM 903 CD1 TYR A 126 2.843 6.729 122.017 1.00 32.54 C ATOM 904 CD2 TYR A 126 4.926 7.642 121.217 1.00 32.70 C ATOM 905 CE1 TYR A 126 3.351 5.460 121.893 1.00 33.82 C ATOM 906 CE2 TYR A 126 5.445 6.374 121.072 1.00 30.67 C ATOM 907 CZ TYR A 126 4.637 5.278 121.409 1.00 34.97 C ATOM 908 OH TYR A 126 5.031 3.982 121.169 1.00 36.45 O ATOM 909 N GLN A 127 4.576 8.340 124.878 1.00 35.74 N ATOM 910 CA GLN A 127 5.800 7.853 125.480 1.00 37.25 C ATOM 911 C GLN A 127 5.892 6.349 125.235 1.00 37.61 C ATOM 912 O GLN A 127 4.870 5.618 125.262 1.00 36.51 O ATOM 913 CB GLN A 127 5.808 8.096 126.998 1.00 38.33 C ATOM 914 CG GLN A 127 5.588 9.505 127.386 1.00 37.04 C ATOM 915 CD GLN A 127 5.126 9.595 128.802 1.00 38.03 C ATOM 916 OE1 GLN A 127 3.920 9.405 129.071 1.00 34.99 O ATOM 917 NE2 GLN A 127 6.075 9.834 129.744 1.00 32.30 N ATOM 918 N ARG A 128 7.122 5.897 125.016 1.00 36.32 N ATOM 919 CA ARG A 128 7.399 4.497 124.752 1.00 35.57 C ATOM 920 C ARG A 128 8.269 3.903 125.884 1.00 35.38 C ATOM 921 O ARG A 128 8.817 4.627 126.720 1.00 36.84 O ATOM 922 CB ARG A 128 8.151 4.367 123.423 1.00 33.87 C ATOM 923 CG ARG A 128 9.579 5.042 123.441 1.00 34.54 C ATOM 924 CD ARG A 128 10.381 4.666 122.224 1.00 34.81 C ATOM 925 NE ARG A 128 9.612 4.723 120.978 1.00 36.84 N ATOM 926 CZ ARG A 128 9.954 5.379 119.868 1.00 36.67 C ATOM 927 NH1 ARG A 128 11.055 6.080 119.810 1.00 36.57 N ATOM 928 NH2 ARG A 128 9.206 5.278 118.778 1.00 37.77 N ATOM 929 N ALA A 129 8.345 2.572 125.909 1.00 36.74 N ATOM 930 CA ALA A 129 9.174 1.819 126.853 1.00 37.13 C ATOM 931 C ALA A 129 10.614 2.029 126.350 1.00 36.93 C ATOM 932 O ALA A 129 10.831 2.342 125.154 1.00 36.12 O ATOM 933 CB ALA A 129 8.841 0.338 126.746 1.00 40.66 C ATOM 934 N PHE A 130 11.569 1.906 127.255 1.00 35.95 N ATOM 935 CA PHE A 130 12.983 2.065 126.927 1.00 36.99 C ATOM 936 C PHE A 130 13.713 1.215 127.962 1.00 37.86 C ATOM 937 O PHE A 130 13.121 0.802 128.945 1.00 35.53 O ATOM 938 CB PHE A 130 13.446 3.556 127.019 1.00 33.70 C ATOM 939 CG PHE A 130 14.157 4.062 125.757 1.00 31.97 C ATOM 940 CD1 PHE A 130 13.484 4.134 124.566 1.00 29.66 C ATOM 941 CD2 PHE A 130 15.527 4.388 125.769 1.00 32.47 C ATOM 942 CE1 PHE A 130 14.120 4.505 123.409 1.00 29.46 C ATOM 943 CE2 PHE A 130 16.183 4.768 124.602 1.00 28.65 C ATOM 944 CZ PHE A 130 15.506 4.827 123.443 1.00 31.12 C ATOM 945 N GLY A 131 15.011 1.010 127.772 1.00 39.04 N ATOM 946 CA GLY A 131 15.734 0.156 128.703 1.00 39.47 C ATOM 947 C GLY A 131 16.051 0.579 130.135 1.00 41.40 C ATOM 948 O GLY A 131 16.627 1.665 130.439 1.00 43.03 O ATOM 949 N GLY A 132 15.703 -0.303 131.059 1.00 41.27 N ATOM 950 CA GLY A 132 16.013 -0.011 132.429 1.00 40.02 C ATOM 951 C GLY A 132 15.003 0.888 133.111 1.00 40.29 C ATOM 952 O GLY A 132 15.358 1.554 134.076 1.00 41.48 O ATOM 953 N GLN A 133 13.759 0.890 132.663 1.00 38.57 N ATOM 954 CA GLN A 133 12.803 1.719 133.326 1.00 39.91 C ATOM 955 C GLN A 133 11.642 0.898 133.809 1.00 40.83 C ATOM 956 O GLN A 133 11.166 0.035 133.110 1.00 40.27 O ATOM 957 CB GLN A 133 12.376 2.853 132.388 1.00 40.25 C ATOM 958 CG GLN A 133 13.529 3.821 132.246 1.00 36.53 C ATOM 959 CD GLN A 133 13.093 5.114 131.619 1.00 37.35 C ATOM 960 OE1 GLN A 133 12.810 6.052 132.356 1.00 38.55 O ATOM 961 NE2 GLN A 133 13.022 5.181 130.250 1.00 31.56 N ATOM 962 N SER A 134 11.173 1.219 135.014 1.00 41.16 N ATOM 963 CA SER A 134 10.140 0.460 135.645 1.00 42.38 C ATOM 964 C SER A 134 9.184 1.351 136.439 1.00 44.07 C ATOM 965 O SER A 134 9.450 2.538 136.649 1.00 45.95 O ATOM 966 CB SER A 134 10.809 -0.498 136.619 1.00 41.79 C ATOM 967 OG SER A 134 11.417 0.300 137.647 1.00 39