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*** DNA BINDING PROTEIN 12-JAN-23 8C73 ***elNémo ID: 240722173316738525Job options:ID = 240722173316738525 JOBID = DNA BINDING PROTEIN 12-JAN-23 8C73 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER DNA BINDING PROTEIN 12-JAN-23 8C73 TITLE DARK STATE 1.8 ANGSTROM CRYSTAL STRUCTURE OF COBALAMIN BINDING DOMAIN TITLE 2 BELONGING TO A LIGHT-DEPENDENT TRANSCRIPTION REGULATOR TTCARH TITLE 3 OBTAINED UNDER AEROBIC CONDITION FORM LL CAVEAT 8C73 B12 D 301 HAS WRONG CHIRALITY AT ATOM C19 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 GENE: TT_P0056; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS B12, ADOCOBALAMIN, ADENOSYLCOBALAMINE, PHOTORECEPTOR, LIGHT-SENSITIVE KEYWDS 2 PROTEIN, DNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR R.RIOS-SANTACRUZ,J.P.COLLETIER,G.SCHIRO,M.WEIK REVDAT 2 30-AUG-23 8C73 1 JRNL REVDAT 1 09-AUG-23 8C73 0 JRNL AUTH H.PODDAR,R.RIOS-SANTACRUZ,D.J.HEYES,M.SHANMUGAM, JRNL AUTH 2 A.BROOKFIELD,L.O.JOHANNISSEN,C.W.LEVY,L.N.JEFFREYS,S.ZHANG, JRNL AUTH 3 M.SAKUMA,J.P.COLLETIER,S.HAY,G.SCHIRO,M.WEIK,N.S.SCRUTTON, JRNL AUTH 4 D.LEYS JRNL TITL REDOX DRIVEN B 12 -LIGAND SWITCH DRIVES CARH PHOTORESPONSE. JRNL REF NAT COMMUN V. 14 5082 2023 JRNL REFN ESSN 2041-1723 JRNL PMID 37604813 JRNL DOI 10.1038/S41467-023-40817-6 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.91 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.700 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 92941 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : FREE R-VALUE REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.210 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 4905 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 6859 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.99 REMARK 3 BIN R VALUE (WORKING SET) : 0.3620 REMARK 3 BIN FREE R VALUE SET COUNT : 320 REMARK 3 BIN FREE R VALUE : 0.3620 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 5883 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 436 REMARK 3 SOLVENT ATOMS : 914 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 34.01 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.32000 REMARK 3 B22 (A**2) : 0.61000 REMARK 3 B33 (A**2) : -0.29000 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): 0.102 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.103 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.085 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.770 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.973 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.962 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 6818 ; 0.010 ; 0.012 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 9444 ; 2.079 ; 1.743 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 848 ; 5.384 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 82 ; 8.697 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 992 ;15.453 ;10.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 1035 ; 0.172 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 5275 ; 0.010 ; 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): 3293 ; 2.901 ; 2.992 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 4159 ; 3.887 ; 5.351 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 3525 ; 4.532 ; 3.435 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 30346 ; 8.139 ;39.710 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 : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 8C73 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 13-JAN-23. REMARK 100 THE DEPOSITION ID IS D_1292127893. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-APR-22 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 : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8856 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 16M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 97589 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 2.000 REMARK 200 R MERGE (I) : 0.03200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : 0.49300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: CRYSTALS HAVE A PLATE-LIKE SHAPE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 56.13 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 10000 20%, 0.1 M HEPES PH 7.5, REMARK 280 BATCH MODE, TEMPERATURE 293.15K 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 32.25950 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 102.62250 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.25050 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 102.62250 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 32.25950 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.25050 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 19140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 28760 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -58.0 KCAL/MOL 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 VAL A 78 REMARK 465 ARG A 79 REMARK 465 PRO A 80 REMARK 465 LEU A 276 REMARK 465 PRO A 277 REMARK 465 ARG A 278 REMARK 465 GLY A 279 REMARK 465 PRO A 280 REMARK 465 GLU A 281 REMARK 465 LYS A 282 REMARK 465 GLU A 283 REMARK 465 ALA A 284 REMARK 465 ILE A 285 REMARK 465 GLY A 286 REMARK 465 HIS A 287 REMARK 465 HIS A 288 REMARK 465 HIS A 289 REMARK 465 HIS A 290 REMARK 465 HIS A 291 REMARK 465 HIS A 292 REMARK 465 VAL B 78 REMARK 465 ARG B 79 REMARK 465 PRO B 80 REMARK 465 ARG B 278 REMARK 465 GLY B 279 REMARK 465 PRO B 280 REMARK 465 GLU B 281 REMARK 465 LYS B 282 REMARK 465 GLU B 283 REMARK 465 ALA B 284 REMARK 465 ILE B 285 REMARK 465 GLY B 286 REMARK 465 HIS B 287 REMARK 465 HIS B 288 REMARK 465 HIS B 289 REMARK 465 HIS B 290 REMARK 465 HIS B 291 REMARK 465 HIS B 292 REMARK 465 LEU C 276 REMARK 465 PRO C 277 REMARK 465 ARG C 278 REMARK 465 GLY C 279 REMARK 465 PRO C 280 REMARK 465 GLU C 281 REMARK 465 LYS C 282 REMARK 465 GLU C 283 REMARK 465 ALA C 284 REMARK 465 ILE C 285 REMARK 465 GLY C 286 REMARK 465 HIS C 287 REMARK 465 HIS C 288 REMARK 465 HIS C 289 REMARK 465 HIS C 290 REMARK 465 HIS C 291 REMARK 465 HIS C 292 REMARK 465 VAL D 78 REMARK 465 ARG D 79 REMARK 465 PRO D 80 REMARK 465 GLU D 81 REMARK 465 GLY D 279 REMARK 465 PRO D 280 REMARK 465 GLU D 281 REMARK 465 LYS D 282 REMARK 465 GLU D 283 REMARK 465 ALA D 284 REMARK 465 ILE D 285 REMARK 465 GLY D 286 REMARK 465 HIS D 287 REMARK 465 HIS D 288 REMARK 465 HIS D 289 REMARK 465 HIS D 290 REMARK 465 HIS D 291 REMARK 465 HIS D 292 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 268 CG CD CE NZ REMARK 470 TRP A 275 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 275 CZ3 CH2 REMARK 470 GLU B 117 CG CD OE1 OE2 REMARK 470 GLU B 254 CG CD OE1 OE2 REMARK 470 GLU B 272 CG CD OE1 OE2 REMARK 470 ARG C 79 CD NE CZ NH1 NH2 REMARK 470 GLU C 89 CD OE1 OE2 REMARK 470 LYS C 238 CD CE NZ REMARK 470 ASP C 239 CG OD1 OD2 REMARK 470 GLU C 265 CD OE1 OE2 REMARK 470 ASP C 266 CG OD1 OD2 REMARK 470 LYS C 268 CG CD CE NZ REMARK 470 TRP C 275 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP C 275 CZ3 CH2 REMARK 470 ARG D 257 CZ NH1 NH2 REMARK 470 GLU D 265 CG CD OE1 OE2 REMARK 470 LYS D 268 CG CD CE NZ REMARK 470 GLU D 272 CG CD OE1 OE2 REMARK 470 LEU D 276 CG CD1 CD2 REMARK 470 ARG D 278 CG CD NE CZ NH1 NH2 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 TRP A 275 REMARK 475 TRP C 275 REMARK 475 LEU D 276 REMARK 475 PRO D 277 REMARK 475 ARG D 278 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 TRP B 275 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 480 TRP B 275 CZ3 CH2 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 LEU A 119 -61.04 -130.58 REMARK 500 ASP A 201 61.98 68.90 REMARK 500 LEU B 119 -59.70 -132.56 REMARK 500 ASP B 201 66.89 71.40 REMARK 500 LEU C 119 -55.90 -127.68 REMARK 500 PHE C 161 88.54 -162.42 REMARK 500 PRO C 163 174.60 -59.58 REMARK 500 ASP C 201 66.45 69.38 REMARK 500 LEU D 119 -57.52 -126.09 REMARK 500 ASP D 201 62.55 71.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 149 0.22 SIDE CHAIN REMARK 500 ARG A 176 0.09 SIDE CHAIN REMARK 500 ARG B 149 0.20 SIDE CHAIN REMARK 500 ARG B 208 0.11 SIDE CHAIN REMARK 500 ARG C 105 0.13 SIDE CHAIN REMARK 500 ARG C 189 0.11 SIDE CHAIN REMARK 500 ARG D 212 0.12 SIDE CHAIN REMARK 500 ARG D 213 0.21 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 747 DISTANCE = 7.08 ANGSTROMS REMARK 525 HOH A 748 DISTANCE = 7.39 ANGSTROMS REMARK 525 HOH D 600 DISTANCE = 7.19 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 B12 A 402 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 177 NE2 REMARK 620 2 B12 A 402 N21 94.6 REMARK 620 3 B12 A 402 N22 83.7 88.1 REMARK 620 4 B12 A 402 N23 80.4 173.5 95.4 REMARK 620 5 B12 A 402 N24 97.6 84.9 173.0 91.6 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 B12 B 301 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 177 NE2 REMARK 620 2 B12 B 301 N21 92.3 REMARK 620 3 B12 B 301 N22 86.0 89.1 REMARK 620 4 B12 B 301 N23 83.0 171.9 97.2 REMARK 620 5 B12 B 301 N24 99.5 83.9 171.3 90.3 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 B12 C 301 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS C 177 NE2 REMARK 620 2 B12 C 301 N21 95.1 REMARK 620 3 B12 C 301 N22 86.8 92.0 REMARK 620 4 B12 C 301 N23 82.7 174.4 93.1 REMARK 620 5 B12 C 301 N24 98.9 79.8 170.3 95.4 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 B12 D 301 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS D 177 NE2 REMARK 620 2 B12 D 301 N21 91.9 REMARK 620 3 B12 D 301 N22 75.9 87.6 REMARK 620 4 B12 D 301 N23 82.8 172.2 96.6 REMARK 620 5 B12 D 301 N24 105.7 83.0 170.4 92.9 REMARK 620 N 1 2 3 4 DBREF 8C73 A 78 285 UNP Q746J7 Q746J7_THET2 78 285 DBREF 8C73 B 78 285 UNP Q746J7 Q746J7_THET2 78 285 DBREF 8C73 C 78 285 UNP Q746J7 Q746J7_THET2 78 285 DBREF 8C73 D 78 285 UNP Q746J7 Q746J7_THET2 78 285 SEQADV 8C73 GLY A 286 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 287 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 288 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 289 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 290 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 291 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS A 292 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 GLY B 286 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 287 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 288 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 289 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 290 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 291 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS B 292 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 GLY C 286 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 287 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 288 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 289 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 290 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 291 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS C 292 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 GLY D 286 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 287 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 288 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 289 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 290 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 291 UNP Q746J7 EXPRESSION TAG SEQADV 8C73 HIS D 292 UNP Q746J7 EXPRESSION TAG SEQRES 1 A 215 VAL ARG PRO GLU ASP LEU GLY THR GLY LEU LEU GLU ALA SEQRES 2 A 215 LEU LEU ARG GLY ASP LEU ALA GLY ALA GLU ALA LEU PHE SEQRES 3 A 215 ARG ARG GLY LEU ARG PHE TRP GLY PRO GLU GLY VAL LEU SEQRES 4 A 215 GLU HIS LEU LEU LEU PRO VAL LEU ARG GLU VAL GLY GLU SEQRES 5 A 215 ALA TRP HIS ARG GLY GLU ILE GLY VAL ALA GLU GLU HIS SEQRES 6 A 215 LEU ALA SER THR PHE LEU ARG ALA ARG LEU GLN GLU LEU SEQRES 7 A 215 LEU ASP LEU ALA GLY PHE PRO PRO GLY PRO PRO VAL LEU SEQRES 8 A 215 VAL THR THR PRO PRO GLY GLU ARG HIS GLU ILE GLY ALA SEQRES 9 A 215 MET LEU ALA ALA TYR HIS LEU ARG ARG LYS GLY VAL PRO SEQRES 10 A 215 ALA LEU TYR LEU GLY PRO ASP THR PRO LEU PRO ASP LEU SEQRES 11 A 215 ARG ALA LEU ALA ARG ARG LEU GLY ALA GLY ALA VAL VAL SEQRES 12 A 215 LEU SER ALA VAL LEU SER GLU PRO LEU ARG ALA LEU PRO SEQRES 13 A 215 ASP GLY ALA LEU LYS ASP LEU ALA PRO ARG VAL PHE LEU SEQRES 14 A 215 GLY GLY GLN GLY ALA GLY PRO GLU GLU ALA ARG ARG LEU SEQRES 15 A 215 GLY ALA GLU TYR MET GLU ASP LEU LYS GLY LEU ALA GLU SEQRES 16 A 215 ALA LEU TRP LEU PRO ARG GLY PRO GLU LYS GLU ALA ILE SEQRES 17 A 215 GLY HIS HIS HIS HIS HIS HIS SEQRES 1 B 215 VAL ARG PRO GLU ASP LEU GLY THR GLY LEU LEU GLU ALA SEQRES 2 B 215 LEU LEU ARG GLY ASP LEU ALA GLY ALA GLU ALA LEU PHE SEQRES 3 B 215 ARG ARG GLY LEU ARG PHE TRP GLY PRO GLU GLY VAL LEU SEQRES 4 B 215 GLU HIS LEU LEU LEU PRO VAL LEU ARG GLU VAL GLY GLU SEQRES 5 B 215 ALA TRP HIS ARG GLY GLU ILE GLY VAL ALA GLU GLU HIS SEQRES 6 B 215 LEU ALA SER THR PHE LEU ARG ALA ARG LEU GLN GLU LEU SEQRES 7 B 215 LEU ASP LEU ALA GLY PHE PRO PRO GLY PRO PRO VAL LEU SEQRES 8 B 215 VAL THR THR PRO PRO GLY GLU ARG HIS GLU ILE GLY ALA SEQRES 9 B 215 MET LEU ALA ALA TYR HIS LEU ARG ARG LYS GLY VAL PRO SEQRES 10 B 215 ALA LEU TYR LEU GLY PRO ASP THR PRO LEU PRO ASP LEU SEQRES 11 B 215 ARG ALA LEU ALA ARG ARG LEU GLY ALA GLY ALA VAL VAL SEQRES 12 B 215 LEU SER ALA VAL LEU SER GLU PRO LEU ARG ALA LEU PRO SEQRES 13 B 215 ASP GLY ALA LEU LYS ASP LEU ALA PRO ARG VAL PHE LEU SEQRES 14 B 215 GLY GLY GLN GLY ALA GLY PRO GLU GLU ALA ARG ARG LEU SEQRES 15 B 215 GLY ALA GLU TYR MET GLU ASP LEU LYS GLY LEU ALA GLU SEQRES 16 B 215 ALA LEU TRP LEU PRO ARG GLY PRO GLU LYS GLU ALA ILE SEQRES 17 B 215 GLY HIS HIS HIS HIS HIS HIS SEQRES 1 C 215 VAL ARG PRO GLU ASP LEU GLY THR GLY LEU LEU GLU ALA SEQRES 2 C 215 LEU LEU ARG GLY ASP LEU ALA GLY ALA GLU ALA LEU PHE SEQRES 3 C 215 ARG ARG GLY LEU ARG PHE TRP GLY PRO GLU GLY VAL LEU SEQRES 4 C 215 GLU HIS LEU LEU LEU PRO VAL LEU ARG GLU VAL GLY GLU SEQRES 5 C 215 ALA TRP HIS ARG GLY GLU ILE GLY VAL ALA GLU GLU HIS SEQRES 6 C 215 LEU ALA SER THR PHE LEU ARG ALA ARG LEU GLN GLU LEU SEQRES 7 C 215 LEU ASP LEU ALA GLY PHE PRO PRO GLY PRO PRO VAL LEU SEQRES 8 C 215 VAL THR THR PRO PRO GLY GLU ARG HIS GLU ILE GLY ALA SEQRES 9 C 215 MET LEU ALA ALA TYR HIS LEU ARG ARG LYS GLY VAL PRO SEQRES 10 C 215 ALA LEU TYR LEU GLY PRO ASP THR PRO LEU PRO ASP LEU SEQRES 11 C 215 ARG ALA LEU ALA ARG ARG LEU GLY ALA GLY ALA VAL VAL SEQRES 12 C 215 LEU SER ALA VAL LEU SER GLU PRO LEU ARG ALA LEU PRO SEQRES 13 C 215 ASP GLY ALA LEU LYS ASP LEU ALA PRO ARG VAL PHE LEU SEQRES 14 C 215 GLY GLY GLN GLY ALA GLY PRO GLU GLU ALA ARG ARG LEU SEQRES 15 C 215 GLY ALA GLU TYR MET GLU ASP LEU LYS GLY LEU ALA GLU SEQRES 16 C 215 ALA LEU TRP LEU PRO ARG GLY PRO GLU LYS GLU ALA ILE SEQRES 17 C 215 GLY HIS HIS HIS HIS HIS HIS SEQRES 1 D 215 VAL ARG PRO GLU ASP LEU GLY THR GLY LEU LEU GLU ALA SEQRES 2 D 215 LEU LEU ARG GLY ASP LEU ALA GLY ALA GLU ALA LEU PHE SEQRES 3 D 215 ARG ARG GLY LEU ARG PHE TRP GLY PRO GLU GLY VAL LEU SEQRES 4 D 215 GLU HIS LEU LEU LEU PRO VAL LEU ARG GLU VAL GLY GLU SEQRES 5 D 215 ALA TRP HIS ARG GLY GLU ILE GLY VAL ALA GLU GLU HIS SEQRES 6 D 215 LEU ALA SER THR PHE LEU ARG ALA ARG LEU GLN GLU LEU SEQRES 7 D 215 LEU ASP LEU ALA GLY PHE PRO PRO GLY PRO PRO VAL LEU SEQRES 8 D 215 VAL THR THR PRO PRO GLY GLU ARG HIS GLU ILE GLY ALA SEQRES 9 D 215 MET LEU ALA ALA TYR HIS LEU ARG ARG LYS GLY VAL PRO SEQRES 10 D 215 ALA LEU TYR LEU GLY PRO ASP THR PRO LEU PRO ASP LEU SEQRES 11 D 215 ARG ALA LEU ALA ARG ARG LEU GLY ALA GLY ALA VAL VAL SEQRES 12 D 215 LEU SER ALA VAL LEU SER GLU PRO LEU ARG ALA LEU PRO SEQRES 13 D 215 ASP GLY ALA LEU LYS ASP LEU ALA PRO ARG VAL PHE LEU SEQRES 14 D 215 GLY GLY GLN GLY ALA GLY PRO GLU GLU ALA ARG ARG LEU SEQRES 15 D 215 GLY ALA GLU TYR MET GLU ASP LEU LYS GLY LEU ALA GLU SEQRES 16 D 215 ALA LEU TRP LEU PRO ARG GLY PRO GLU LYS GLU ALA ILE SEQRES 17 D 215 GLY HIS HIS HIS HIS HIS HIS HET 5AD A 401 18 HET B12 A 402 91 HET B12 B 301 91 HET 5AD B 302 18 HET B12 C 301 91 HET 5AD C 302 18 HET B12 D 301 91 HET 5AD D 302 18 HETNAM 5AD 5'-DEOXYADENOSINE HETNAM B12 COBALAMIN FORMUL 5 5AD 4(C10 H13 N5 O3) FORMUL 6 B12 4(C62 H89 CO N13 O14 P 2+) FORMUL 13 HOH *914(H2 O) HELIX 1 AA1 ASP A 82 ARG A 93 1 12 HELIX 2 AA2 ASP A 95 LEU A 119 1 25 HELIX 3 AA3 LEU A 119 ARG A 133 1 15 HELIX 4 AA4 GLY A 137 ALA A 159 1 23 HELIX 5 AA5 GLU A 178 LYS A 191 1 14 HELIX 6 AA6 PRO A 203 GLY A 215 1 13 HELIX 7 AA7 SER A 226 ALA A 231 1 6 HELIX 8 AA8 GLY A 252 GLY A 260 1 9 HELIX 9 AA9 LEU A 267 TRP A 275 1 9 HELIX 10 AB1 ASP B 82 ARG B 93 1 12 HELIX 11 AB2 ASP B 95 LEU B 119 1 25 HELIX 12 AB3 LEU B 119 ARG B 133 1 15 HELIX 13 AB4 GLY B 137 GLY B 160 1 24 HELIX 14 AB5 GLU B 178 LYS B 191 1 14 HELIX 15 AB6 PRO B 203 GLY B 215 1 13 HELIX 16 AB7 SER B 226 ALA B 231 1 6 HELIX 17 AB8 GLY B 252 GLY B 260 1 9 HELIX 18 AB9 ASP B 266 TRP B 275 1 10 HELIX 19 AC1 ARG C 79 GLU C 81 5 3 HELIX 20 AC2 ASP C 82 ARG C 93 1 12 HELIX 21 AC3 ASP C 95 LEU C 119 1 25 HELIX 22 AC4 LEU C 119 ARG C 133 1 15 HELIX 23 AC5 GLY C 137 ALA C 159 1 23 HELIX 24 AC6 GLU C 178 LYS C 191 1 14 HELIX 25 AC7 PRO C 203 GLY C 215 1 13 HELIX 26 AC8 SER C 226 ALA C 231 1 6 HELIX 27 AC9 GLY C 252 GLY C 260 1 9 HELIX 28 AD1 LEU C 267 TRP C 275 1 9 HELIX 29 AD2 LEU D 83 ARG D 93 1 11 HELIX 30 AD3 ASP D 95 LEU D 119 1 25 HELIX 31 AD4 LEU D 119 ARG D 133 1 15 HELIX 32 AD5 GLY D 137 GLY D 160 1 24 HELIX 33 AD6 GLU D 178 LYS D 191 1 14 HELIX 34 AD7 PRO D 203 LEU D 214 1 12 HELIX 35 AD8 SER D 226 ALA D 231 1 6 HELIX 36 AD9 GLY D 252 GLY D 260 1 9 HELIX 37 AE1 ASP D 266 ALA D 273 1 8 SHEET 1 AA1 5 ALA A 195 TYR A 197 0 SHEET 2 AA1 5 VAL A 167 THR A 170 1 N VAL A 167 O LEU A 196 SHEET 3 AA1 5 ALA A 218 SER A 222 1 O VAL A 220 N LEU A 168 SHEET 4 AA1 5 ARG A 243 GLY A 247 1 O PHE A 245 N LEU A 221 SHEET 5 AA1 5 GLU A 262 TYR A 263 1 O GLU A 262 N VAL A 244 SHEET 1 AA2 5 ALA B 195 TYR B 197 0 SHEET 2 AA2 5 VAL B 167 THR B 170 1 N VAL B 167 O LEU B 196 SHEET 3 AA2 5 ALA B 218 SER B 222 1 O VAL B 220 N LEU B 168 SHEET 4 AA2 5 ARG B 243 GLY B 247 1 O PHE B 245 N VAL B 219 SHEET 5 AA2 5 GLU B 262 TYR B 263 1 O GLU B 262 N VAL B 244 SHEET 1 AA3 5 ALA C 195 TYR C 197 0 SHEET 2 AA3 5 VAL C 167 THR C 170 1 N VAL C 167 O LEU C 196 SHEET 3 AA3 5 ALA C 218 SER C 222 1 O VAL C 220 N LEU C 168 SHEET 4 AA3 5 ARG C 243 GLY C 247 1 O PHE C 245 N VAL C 219 SHEET 5 AA3 5 GLU C 262 TYR C 263 1 O GLU C 262 N VAL C 244 SHEET 1 AA4 5 ALA D 195 TYR D 197 0 SHEET 2 AA4 5 VAL D 167 THR D 170 1 N VAL D 167 O LEU D 196 SHEET 3 AA4 5 ALA D 218 SER D 222 1 O VAL D 220 N LEU D 168 SHEET 4 AA4 5 ARG D 243 GLY D 247 1 O PHE D 245 N VAL D 219 SHEET 5 AA4 5 GLU D 262 TYR D 263 1 O GLU D 262 N VAL D 244 LINK NE2 HIS A 177 CO B12 A 402 1555 1555 2.26 LINK NE2 HIS B 177 CO B12 B 301 1555 1555 2.26 LINK NE2 HIS C 177 CO B12 C 301 1555 1555 2.29 LINK NE2 HIS D 177 CO B12 D 301 1555 1555 2.24 CRYST1 64.519 66.501 205.245 90.00 90.00 90.00 P 21 21 21 16 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 0.015499 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015037 0.000000 0.00000 SCALE3 0.000000 0.000000 0.004872 0.00000 ATOM 1 N GLU A 81 14.359 -7.406 41.450 1.00 52.78 N ATOM 2 CA GLU A 81 13.436 -6.842 42.476 1.00 63.30 C ATOM 3 C GLU A 81 12.364 -7.866 42.861 1.00 63.56 C ATOM 4 O GLU A 81 11.657 -8.393 41.997 1.00 60.27 O ATOM 5 CB GLU A 81 12.800 -5.532 42.005 1.00 68.49 C ATOM 6 CG GLU A 81 11.724 -5.044 42.960 1.00 74.72 C ATOM 7 CD GLU A 81 11.146 -3.675 42.669 1.00 81.19 C ATOM 8 OE1 GLU A 81 10.970 -3.359 41.475 1.00 83.60 O ATOM 9 OE2 GLU A 81 10.848 -2.946 43.640 1.00 61.94 O ATOM 10 N ASP A 82 12.236 -8.116 44.180 1.00 48.75 N ATOM 11 CA ASP A 82 11.310 -9.119 44.673 1.00 35.76 C ATOM 12 C ASP A 82 9.969 -8.427 44.902 1.00 30.20 C ATOM 13 O ASP A 82 9.744 -7.826 45.959 1.00 30.66 O ATOM 14 CB ASP A 82 11.834 -9.782 45.947 1.00 41.69 C ATOM 15 CG ASP A 82 10.954 -10.858 46.579 1.00 51.65 C ATOM 16 OD1 ASP A 82 9.794 -11.137 46.108 1.00 39.85 O1- ATOM 17 OD2 ASP A 82 11.433 -11.410 47.567 1.00 53.10 O ATOM 18 N LEU A 83 9.106 -8.488 43.886 1.00 28.74 N ATOM 19 CA LEU A 83 7.815 -7.800 43.988 1.00 27.24 C ATOM 20 C LEU A 83 6.924 -8.497 45.004 1.00 26.09 C ATOM 21 O LEU A 83 6.126 -7.828 45.637 1.00 23.61 O ATOM 22 CB LEU A 83 7.116 -7.763 42.622 1.00 26.87 C ATOM 23 CG LEU A 83 7.770 -6.811 41.625 1.00 28.78 C ATOM 24 CD1 LEU A 83 7.098 -6.906 40.266 1.00 28.36 C ATOM 25 CD2 LEU A 83 7.705 -5.381 42.156 1.00 30.58 C ATOM 26 N GLY A 84 7.066 -9.815 45.172 1.00 28.65 N ATOM 27 CA GLY A 84 6.184 -10.551 46.082 1.00 25.03 C ATOM 28 C GLY A 84 6.437 -10.186 47.546 1.00 25.37 C ATOM 29 O GLY A 84 5.514 -9.872 48.310 1.00 25.51 O ATOM 30 N THR A 85 7.711 -10.229 47.966 1.00 27.18 N ATOM 31 CA THR A 85 8.048 -9.763 49.306 1.00 27.58 C ATOM 32 C THR A 85 7.730 -8.273 49.486 1.00 26.91 C ATOM 33 O THR A 85 7.188 -7.880 50.538 1.00 25.95 O ATOM 34 CB THR A 85 9.536 -10.007 49.608 1.00 36.79 C ATOM 35 OG1 THR A 85 9.755 -11.408 49.430 1.00 41.05 O ATOM 36 CG2 THR A 85 9.897 -9.606 51.022 1.00 39.29 C ATOM 37 N GLY A 86 8.027 -7.459 48.458 1.00 23.27 N ATOM 38 CA GLY A 86 7.794 -6.023 48.504 1.00 26.06 C ATOM 39 C GLY A 86 6.287 -5.734 48.666 1.00 25.21 C ATOM 40 O GLY A 86 5.883 -4.904 49.480 1.00 22.66 O ATOM 41 N LEU A 87 5.462 -6.467 47.911 1.00 23.62 N ATOM 42 CA LEU A 87 4.018 -6.227 47.968 1.00 22.52 C ATOM 43 C LEU A 87 3.424 -6.682 49.316 1.00 21.01 C ATOM 44 O LEU A 87 2.638 -5.970 49.952 1.00 21.38 O ATOM 45 CB LEU A 87 3.356 -6.941 46.782 1.00 23.04 C ATOM 46 CG LEU A 87 1.822 -6.918 46.798 1.00 24.86 C ATOM 47 CD1 LEU A 87 1.297 -5.494 46.798 1.00 22.54 C ATOM 48 CD2 LEU A 87 1.269 -7.677 45.591 1.00 27.36 C ATOM 49 N LEU A 88 3.847 -7.847 49.799 1.00 22.04 N ATOM 50 CA LEU A 88 3.349 -8.312 51.090 1.00 25.38 C ATOM 51 C LEU A 88 3.784 -7.361 52.205 1.00 26.74 C ATOM 52 O LEU A 88 2.989 -7.054 53.102 1.00 26.47 O ATOM 53 CB LEU A 88 3.851 -9.731 51.360 1.00 30.12 C ATOM 54 CG LEU A 88 3.388 -10.250 52.724 1.00 37.01 C ATOM 55 CD1 LEU A 88 1.872 -10.257 52.819 1.00 38.46 C ATOM 56 CD2 LEU A 88 3.972 -11.625 52.979 1.00 43.20 C ATOM 57 N GLU A 89 5.052 -6.909 52.170 1.00 24.25 N ATOM 58 CA GLU A 89 5.512 -5.975 53.187 1.00 25.42 C ATOM 59 C GLU A 89 4.734 -4.662 53.164 1.00 24.29 C ATOM 60 O GLU A 89 4.364 -4.163 54.228 1.00 25.04 O ATOM 61 CB GLU A 89 7.020 -5.761 53.045 1.00 29.79 C ATOM 62 CG GLU A 89 7.709 -7.035 53.508 1.00 38.02 C ATOM 63 CD GLU A 89 9.221 -7.001 53.462 1.00 58.84 C ATOM 64 OE1 GLU A 89 9.773 -5.937 53.120 1.00 56.93 O ATOM 65 OE2 GLU A 89 9.828 -8.050 53.758 1.00 73.78 O1- ATOM 66 N ALA A 90 4.506 -4.119 51.958 1.00 21.56 N ATOM 67 CA ALA A 90 3.719 -2.891 51.834 1.00 20.13 C ATOM 68 C ALA A 90 2.324 -3.093 52.436 1.00 19.93 C ATOM 69 O ALA A 90 1.850 -2.233 53.173 1.00 22.87 O ATOM 70 CB ALA A 90 3.655 -2.482 50.373 1.00 20.12 C ATOM 71 N LEU A 91 1.666 -4.209 52.133 1.00 22.82 N ATOM 72 CA LEU A 91 0.317 -4.431 52.663 1.00 21.82 C ATOM 73 C LEU A 91 0.315 -4.564 54.189 1.00 25.38 C ATOM 74 O LEU A 91 -0.534 -3.959 54.851 1.00 29.56 O ATOM 75 CB LEU A 91 -0.290 -5.659 51.975 1.00 21.48 C ATOM 76 CG LEU A 91 -0.583 -5.429 50.499 1.00 23.68 C ATOM 77 CD1 LEU A 91 -0.961 -6.759 49.843 1.00 27.45 C ATOM 78 CD2 LEU A 91 -1.729 -4.441 50.358 1.00 24.00 C ATOM 79 N LEU A 92 1.316 -5.254 54.748 1.00 25.05 N ATOM 80 CA LEU A 92 1.354 -5.459 56.193 1.00 27.52 C ATOM 81 C LEU A 92 1.647 -4.149 56.935 1.00 28.06 C ATOM 82 O LEU A 92 1.317 -4.022 58.116 1.00 29.66 O ATOM 83 CB LEU A 92 2.358 -6.557 56.594 1.00 29.01 C ATOM 84 CG LEU A 92 2.052 -8.002 56.182 1.00 34.46 C ATOM 85 CD1 LEU A 92 3.269 -8.879 56.429 1.00 34.08 C ATOM 86 CD2 LEU A 92 0.883 -8.562 56.974 1.00 39.02 C ATOM 87 N ARG A 93 2.233 -3.151 56.268 1.00 23.69 N ATOM 88 CA ARG A 93 2.424 -1.891 56.971 1.00 26.21 C ATOM 89 C ARG A 93 1.324 -0.870 56.650 1.00 26.04 C ATOM 90 O ARG A 93 1.456 0.302 57.021 1.00 27.46 O ATOM 91 CB ARG A 93 3.846 -1.364 56.778 1.00 29.43 C ATOM 92 CG ARG A 93 4.171 -0.986 55.349 1.00 33.00 C ATOM 93 CD ARG A 93 5.649 -0.589 55.240 1.00 32.56 C ATOM 94 NE ARG A 93 5.817 -0.047 53.894 1.00 32.07 N ATOM 95 CZ ARG A 93 6.393 -0.705 52.894 1.00 36.32 C ATOM 96 NH1 ARG A 93 7.022 -1.850 53.136 1.00 36.43 N ATOM 97 NH2 ARG A 93 6.353 -0.201 51.669 1.00 33.08 N ATOM 98 N GLY A 94 0.292 -1.311 55.909 1.00 24.58 N ATOM 99 CA GLY A 94 -0.800 -0.425 55.530 1.00 23.73 C ATOM 100 C GLY A 94 -0.429 0.589 54.453 1.00 28.01 C ATOM 101 O GLY A 94 -1.133 1.601 54.289 1.00 28.75 O ATOM 102 N ASP A 95 0.641 0.306 53.684 1.00 25.17 N ATOM 103 CA ASP A 95 1.083 1.225 52.647 1.00 26.39 C ATOM 104 C ASP A 95 0.396 0.887 51.328 1.00 25.06 C ATOM 105 O ASP A 95 0.981 0.320 50.429 1.00 23.29 O ATOM 106 CB ASP A 95 2.613 1.182 52.505 1.00 26.64 C ATOM 107 CG ASP A 95 3.142 2.075 51.387 1.00 32.75 C ATOM 108 OD1 ASP A 95 2.390 2.905 50.846 1.00 29.46 O ATOM 109 OD2 ASP A 95 4.320 1.939 51.048 1.00 36.13 O1- ATOM 110 N LEU A 96 -0.854 1.290 51.203 1.00 24.03 N ATOM 111 CA LEU A 96 -1.651 0.898 50.043 1.00 26.68 C ATOM 112 C LEU A 96 -1.167 1.572 48.762 1.00 26.31 C ATOM 113 O LEU A 96 -1.318 0.993 47.686 1.00 28.96 O ATOM 114 CB LEU A 96 -3.098 1.312 50.306 1.00 30.03 C ATOM 115 CG LEU A 96 -3.827 0.528 51.402 1.00 35.82 C ATOM 116 CD1 LEU A 96 -5.293 0.954 51.413 1.00 44.14 C ATOM 117 CD2 LEU A 96 -3.724 -0.983 51.262 1.00 37.69 C ATOM 118 N ALA A 97 -0.628 2.793 48.849 1.00 29.89 N ATOM 119 CA ALA A 97 -0.100 3.434 47.650 1.00 33.09 C ATOM 120 C ALA A 97 1.129 2.690 47.119 1.00 29.28 C ATOM 121 O ALA A 97 1.256 2.478 45.918 1.00 30.35 O ATOM 122 CB ALA A 97 0.196 4.900 47.906 1.00 35.72 C ATOM 123 N GLY A 98 2.042 2.307 48.011 1.00 27.02 N ATOM 124 CA GLY A 98 3.181 1.506 47.586 1.00 25.86 C ATOM 125 C GLY A 98 2.705 0.170 47.015 1.00 26.13 C ATOM 126 O GLY A 98 3.256 -0.344 46.035 1.00 23.16 O ATOM 127 N ALA A 99 1.738 -0.445 47.696 1.00 22.57 N ATOM 128 CA ALA A 99 1.233 -1.738 47.224 1.00 21.21 C ATOM 129 C ALA A 99 0.649 -1.593 45.819 1.00 22.02 C ATOM 130 O ALA A 99 0.889 -2.425 44.957 1.00 22.67 O ATOM 131 CB ALA A 99 0.201 -2.273 48.190 1.00 21.90 C ATOM 132 N GLU A 100 -0.117 -0.524 45.573 1.00 21.77 N ATOM 133 CA GLU A 100 -0.750 -0.410 44.268 1.00 24.32 C ATOM 134 C GLU A 100 0.310 -0.203 43.177 1.00 24.06 C ATOM 135 O GLU A 100 0.203 -0.758 42.087 1.00 23.26 O ATOM 136 CB GLU A 100 -1.714 0.782 44.264 1.00 28.76 C ATOM 137 CG GLU A 100 -2.490 0.811 42.980 1.00 35.37 C ATOM 138 CD GLU A 100 -3.616 1.821 42.952 1.00 47.01 C ATOM 139 OE1 GLU A 100 -3.798 2.541 43.948 1.00 52.82 O ATOM 140 OE2 GLU A 100 -4.308 1.863 41.946 1.00 46.06 O1- ATOM 141 N ALA A 101 1.332 0.593 43.485 1.00 22.36 N ATOM 142 CA ALA A 101 2.413 0.806 42.519 1.00 24.23 C ATOM 143 C ALA A 101 3.153 -0.495 42.222 1.00 24.13 C ATOM 144 O ALA A 101 3.506 -0.774 41.076 1.00 23.09 O ATOM 145 CB ALA A 101 3.362 1.863 43.044 1.00 29.04 C ATOM 146 N LEU A 102 3.434 -1.296 43.256 1.00 22.43 N ATOM 147 CA LEU A 102 4.135 -2.563 43.054 1.00 22.81 C ATOM 148 C LEU A 102 3.310 -3.548 42.230 1.00 23.34 C ATOM 149 O LEU A 102 3.866 -4.248 41.374 1.00 21.90 O ATOM 150 CB LEU A 102 4.470 -3.203 44.411 1.00 22.98 C ATOM 151 CG LEU A 102 5.609 -2.530 45.180 1.00 26.30 C ATOM 152 CD1 LEU A 102 5.696 -3.129 46.583 1.00 28.45 C ATOM 153 CD2 LEU A 102 6.965 -2.710 44.483 1.00 30.97 C ATOM 154 N PHE A 103 1.994 -3.623 42.496 1.00 21.80 N ATOM 155 CA PHE A 103 1.165 -4.540 41.709 1.00 23.94 C ATOM 156 C PHE A 103 1.229 -4.147 40.220 1.00 23.34 C ATOM 157 O PHE A 103 1.261 -5.024 39.343 1.00 21.40 O ATOM 158 CB PHE A 103 -0.290 -4.521 42.222 1.00 21.88 C ATOM 159 CG PHE A 103 -1.138 -5.626 41.623 1.00 23.10 C ATOM 160 CD1 PHE A 103 -1.136 -6.900 42.192 1.00 26.73 C ATOM 161 CD2 PHE A 103 -1.862 -5.408 40.459 1.00 26.67 C ATOM 162 CE1 PHE A 103 -1.867 -7.933 41.628 1.00 27.31 C ATOM 163 CE2 PHE A 103 -2.588 -6.448 39.893 1.00 27.56 C ATOM 164 CZ PHE A 103 -2.604 -7.680 40.491 1.00 27.71 C ATOM 165 N ARG A 104 1.188 -2.821 39.932 1.00 23.01 N ATOM 166 CA ARG A 104 1.200 -2.351 38.556 1.00 24.52 C ATOM 167 C ARG A 104 2.547 -2.664 37.890 1.00 24.86 C ATOM 168 O ARG A 104 2.587 -2.935 36.689 1.00 23.57 O ATOM 169 CB ARG A 104 0.927 -0.841 38.511 1.00 27.34 C ATOM 170 CG ARG A 104 0.796 -0.272 37.097 1.00 31.99 C ATOM 171 CD ARG A 104 0.351 1.205 37.151 1.00 29.19 C ATOM 172 NE ARG A 104 -0.945 1.306 37.816 1.00 36.90 N ATOM 173 CZ ARG A 104 -1.160 1.962 38.953 1.00 34.69 C ATOM 174 NH1 ARG A 104 -0.178 2.634 39.537 1.00 36.23 N ATOM 175 NH2 ARG A 104 -2.359 1.920 39.501 1.00 40.16 N ATOM 176 N ARG A 105 3.655 -2.613 38.649 1.00 21.92 N ATOM 177 CA ARG A 105 4.915 -3.054 38.064 1.00 23.29 C ATOM 178 C ARG A 105 4.822 -4.525 37.666 1.00 25.21 C ATOM 179 O ARG A 105 5.321 -4.936 36.625 1.00 24.24 O ATOM 180 CB ARG A 105 6.081 -2.880 39.040 1.00 24.32 C ATOM 181 CG ARG A 105 6.381 -1.437 39.391 1.00 27.39 C ATOM 182 CD ARG A 105 7.724 -1.273 40.074 1.00 32.96 C ATOM 183 NE ARG A 105 8.870 -1.603 39.227 1.00 38.44 N ATOM 184 CZ ARG A 105 9.334 -0.837 38.227 1.00 45.28 C ATOM 185 NH1 ARG A 105 8.765 0.328 37.956 1.00 49.31 N ATOM 186 NH2 ARG A 105 10.352 -1.253 37.486 1.00 37.01 N ATOM 187 N GLY A 106 4.177 -5.347 38.516 1.00 23.42 N ATOM 188 CA GLY A 106 4.030 -6.754 38.182 1.00 21.60 C ATOM 189 C GLY A 106 3.127 -6.961 36.973 1.00 23.96 C ATOM 190 O GLY A 106 3.412 -7.806 36.124 1.00 24.10 O ATOM 191 N LEU A 107 2.067 -6.145 36.874 1.00 22.24 N ATOM 192 CA LEU A 107 1.166 -6.242 35.722 1.00 23.39 C ATOM 193 C LEU A 107 1.959 -5.934 34.447 1.00 24.71 C ATOM 194 O LEU A 107 1.832 -6.606 33.445 1.00 24.18 O ATOM 195 CB LEU A 107 -0.008 -5.254 35.898 1.00 22.37 C ATOM 196 CG LEU A 107 -0.957 -5.143 34.694 1.00 25.17 C ATOM 197 CD1 LEU A 107 -1.667 -6.484 34.460 1.00 24.19 C ATOM 198 CD2 LEU A 107 -2.022 -4.063 34.915 1.00 26.96 C ATOM 199 N ARG A 108 2.804 -4.909 34.496 1.00 25.14 N ATOM 200 CA ARG A 108 3.553 -4.533 33.300 1.00 25.66 C ATOM 201 C ARG A 108 4.625 -5.551 32.948 1.00 28.11 C ATOM 202 O ARG A 108 4.952 -5.742 31.782 1.00 27.83 O ATOM 203 CB ARG A 108 4.191 -3.154 33.478 1.00 25.14 C ATOM 204 CG ARG A 108 3.097 -2.092 33.433 1.00 26.34 C ATOM 205 CD ARG A 108 3.677 -0.749 33.735 1.00 33.33 C ATOM 206 NE ARG A 108 2.685 0.219 33.302 1.00 32.23 N ATOM 207 CZ ARG A 108 2.737 1.490 33.642 1.00 34.84 C ATOM 208 NH1 ARG A 108 3.625 1.879 34.542 1.00 29.28 N ATOM 209 NH2 ARG A 108 1.896 2.344 33.089 1.00 37.22 N ATOM 210 N PHE A 109 5.211 -6.188 33.952 1.00 24.26 N ATOM 211 CA PHE A 109 6.267 -7.135 33.651 1.00 26.99 C ATOM 212 C PHE A 109 5.684 -8.478 33.223 1.00 27.06 C ATOM 213 O PHE A 109 6.100 -9.052 32.218 1.00 27.77 O ATOM 214 CB PHE A 109 7.141 -7.280 34.897 1.00 27.06 C ATOM 215 CG PHE A 109 8.322 -8.173 34.685 1.00 36.02 C ATOM 216 CD1 PHE A 109 9.463 -7.687 34.060 1.00 39.99 C ATOM 217 CD2 PHE A 109 8.279 -9.498 35.074 1.00 37.50 C ATOM 218 CE1 PHE A 109 10.549 -8.527 33.856 1.00 39.55 C ATOM 219 CE2 PHE A 109 9.367 -10.336 34.867 1.00 45.59 C ATOM 220 CZ PHE A 109 10.507 -9.838 34.262 1.00 45.74 C ATOM 221 N TRP A 110 4.727 -9.010 33.985 1.00 23.89 N ATOM 222 CA TRP A 110 4.295 -10.377 33.707 1.00 24.09 C ATOM 223 C TRP A 110 3.088 -10.413 32.773 1.00 24.66 C ATOM 224 O TRP A 110 2.743 -11.482 32.273 1.00 25.22 O ATOM 225 CB TRP A 110 3.919 -11.108 34.995 1.00 25.70 C ATOM 226 CG TRP A 110 5.111 -11.499 35.794 1.00 26.33 C ATOM 227 CD1 TRP A 110 6.102 -12.374 35.425 1.00 27.15 C ATOM 228 CD2 TRP A 110 5.418 -11.055 37.109 1.00 27.10 C ATOM 229 NE1 TRP A 110 7.003 -12.507 36.446 1.00 32.12 N ATOM 230 CE2 TRP A 110 6.617 -11.708 37.486 1.00 29.57 C ATOM 231 CE3 TRP A 110 4.769 -10.233 38.032 1.00 30.18 C ATOM 232 CZ2 TRP A 110 7.215 -11.514 38.726 1.00 32.70 C ATOM 233 CZ3 TRP A 110 5.391 -10.015 39.243 1.00 33.74 C ATOM 234 CH2 TRP A 110 6.577 -10.661 39.598 1.00 36.60 C ATOM 235 N GLY A 111 2.410 -9.271 32.610 1.00 24.03 N ATOM 236 CA GLY A 111 1.171 -9.277 31.841 1.00 23.53 C ATOM 237 C GLY A 111 -0.003 -9.650 32.749 1.00 23.45 C ATOM 238 O GLY A 111 0.175 -10.053 33.903 1.00 22.67 O ATOM 239 N PRO A 112 -1.228 -9.582 32.224 1.00 25.84 N ATOM 240 CA PRO A 112 -2.432 -9.747 33.048 1.00 30.10 C ATOM 241 C PRO A 112 -2.580 -11.139 33.660 1.00 32.92 C ATOM 242 O PRO A 112 -2.703 -11.263 34.887 1.00 33.35 O ATOM 243 CB PRO A 112 -3.570 -9.414 32.057 1.00 28.62 C ATOM 244 CG PRO A 112 -2.908 -8.624 30.967 1.00 28.64 C ATOM 245 CD PRO A 112 -1.523 -9.208 30.837 1.00 25.68 C ATOM 246 N GLU A 113 -2.498 -12.197 32.835 1.00 28.07 N ATOM 247 CA GLU A 113 -2.585 -13.545 33.380 1.00 28.87 C ATOM 248 C GLU A 113 -1.369 -13.805 34.264 1.00 29.89 C ATOM 249 O GLU A 113 -1.500 -14.422 35.322 1.00 26.56 O ATOM 250 CB GLU A 113 -2.548 -14.630 32.285 1.00 33.62 C ATOM 251 CG GLU A 113 -3.856 -14.854 31.563 1.00 38.25 C ATOM 252 CD GLU A 113 -4.192 -13.762 30.571 1.00 44.01 C ATOM 253 OE1 GLU A 113 -3.258 -12.962 30.215 1.00 41.23 O ATOM 254 OE2 GLU A 113 -5.373 -13.700 30.175 1.00 44.65 O1- ATOM 255 N GLY A 114 -0.194 -13.316 33.826 1.00 25.84 N ATOM 256 CA GLY A 114 1.052 -13.602 34.502 1.00 24.21 C ATOM 257 C GLY A 114 1.113 -12.954 35.890 1.00 23.99 C ATOM 258 O GLY A 114 1.704 -13.541 36.795 1.00 24.52 O ATOM 259 N VAL A 115 0.598 -11.718 36.041 1.00 21.72 N ATOM 260 CA VAL A 115 0.715 -11.085 37.344 1.00 22.44 C ATOM 261 C VAL A 115 -0.093 -11.889 38.364 1.00 22.43 C ATOM 262 O VAL A 115 0.240 -11.929 39.539 1.00 21.60 O ATOM 263 CB VAL A 115 0.361 -9.580 37.346 1.00 22.56 C ATOM 264 CG1 VAL A 115 -1.100 -9.334 37.041 1.00 22.06 C ATOM 265 CG2 VAL A 115 0.782 -8.901 38.650 1.00 22.64 C ATOM 266 N LEU A 116 -1.188 -12.500 37.916 1.00 21.07 N ATOM 267 CA LEU A 116 -1.997 -13.300 38.840 1.00 22.21 C ATOM 268 C LEU A 116 -1.219 -14.546 39.258 1.00 22.65 C ATOM 269 O LEU A 116 -1.173 -14.897 40.454 1.00 24.04 O ATOM 270 CB LEU A 116 -3.307 -13.653 38.119 1.00 22.85 C ATOM 271 CG LEU A 116 -4.142 -12.427 37.702 1.00 24.30 C ATOM 272 CD1 LEU A 116 -5.378 -12.829 36.914 1.00 25.65 C ATOM 273 CD2 LEU A 116 -4.534 -11.611 38.925 1.00 26.90 C ATOM 274 N GLU A 117 -0.546 -15.172 38.302 1.00 23.69 N ATOM 275 CA GLU A 117 0.199 -16.398 38.575 1.00 27.39 C ATOM 276 C GLU A 117 1.440 -16.111 39.411 1.00 26.50 C ATOM 277 O GLU A 117 1.784 -16.890 40.284 1.00 27.55 O ATOM 278 CB GLU A 117 0.615 -17.054 37.246 1.00 30.73 C ATOM 279 CG GLU A 117 1.289 -18.390 37.443 1.00 38.39 C ATOM 280 CD GLU A 117 1.678 -19.157 36.184 1.00 58.79 C ATOM 281 OE1 GLU A 117 1.340 -18.696 35.045 1.00 61.69 O ATOM 282 OE2 GLU A 117 2.327 -20.225 36.329 1.00 58.65 O1- ATOM 283 N HIS A 118 2.170 -15.026 39.111 1.00 21.67 N ATOM 284 CA HIS A 118 3.488 -14.835 39.700 1.00 26.50 C ATOM 285 C HIS A 118 3.470 -13.852 40.868 1.00 24.67 C ATOM 286 O HIS A 118 4.469 -13.780 41.572 1.00 25.80 O ATOM 287 CB HIS A 118 4.518 -14.287 38.708 1.00 27.12 C ATOM 288 CG HIS A 118 4.836 -15.273 37.636 1.00 39.61 C ATOM 289 ND1 HIS A 118 3.952 -15.617 36.633 1.00 43.78 N ATOM 290 CD2 HIS A 118 5.949 -16.016 37.431 1.00 48.96 C ATOM 291 CE1 HIS A 118 4.504 -16.539 35.846 1.00 40.85 C ATOM 292 NE2 HIS A 118 5.717 -16.794 36.312 1.00 49.77 N ATOM 293 N LEU A 119 2.359 -13.124 41.079 1.00 21.65 N ATOM 294 CA LEU A 119 2.403 -12.155 42.153 1.00 21.22 C ATOM 295 C LEU A 119 1.184 -12.300 43.056 1.00 22.21 C ATOM 296 O LEU A 119 1.346 -12.475 44.265 1.00 21.75 O ATOM 297 CB LEU A 119 2.515 -10.715 41.605 1.00 23.28 C ATOM 298 CG LEU A 119 2.576 -9.586 42.647 1.00 23.49 C ATOM 299 CD1 LEU A 119 3.756 -9.770 43.618 1.00 24.04 C ATOM 300 CD2 LEU A 119 2.756 -8.243 41.924 1.00 24.66 C ATOM 301 N LEU A 120 -0.015 -12.109 42.490 1.00 20.39 N ATOM 302 CA LEU A 120 -1.245 -12.156 43.296 1.00 21.37 C ATOM 303 C LEU A 120 -1.409 -13.485 44.039 1.00 21.56 C ATOM 304 O LEU A 120 -1.622 -13.498 45.256 1.00 20.50 O ATOM 305 CB LEU A 120 -2.471 -11.920 42.379 1.00 21.57 C ATOM 306 CG LEU A 120 -3.802 -11.811 43.146 1.00 23.24 C ATOM 307 CD1 LEU A 120 -4.558 -10.547 42.738 1.00 23.19 C ATOM 308 CD2 LEU A 120 -4.666 -13.042 42.892 1.00 24.67 C ATOM 309 N LEU A 121 -1.330 -14.620 43.320 1.00 20.14 N ATOM 310 CA LEU A 121 -1.526 -15.899 43.988 1.00 21.68 C ATOM 311 C LEU A 121 -0.407 -16.203 44.981 1.00 22.33 C ATOM 312 O LEU A 121 -0.708 -16.565 46.126 1.00 20.72 O ATOM 313 CB LEU A 121 -1.717 -17.003 42.942 1.00 22.97 C ATOM 314 CG LEU A 121 -3.070 -16.888 42.252 1.00 27.72 C ATOM 315 CD1 LEU A 121 -3.160 -17.821 41.071 1.00 28.06 C ATOM 316 CD2 LEU A 121 -4.205 -17.175 43.244 1.00 31.19 C ATOM 317 N PRO A 122 0.896 -16.036 44.664 1.00 23.42 N ATOM 318 CA PRO A 122 1.923 -16.270 45.674 1.00 22.03 C ATOM 319 C PRO A 122 1.760 -15.430 46.941 1.00 25.26 C ATOM 320 O PRO A 122 1.974 -15.947 48.046 1.00 24.06 O ATOM 321 CB PRO A 122 3.230 -15.953 44.946 1.00 24.93 C ATOM 322 CG PRO A 122 2.909 -16.298 43.509 1.00 26.81 C ATOM 323 CD PRO A 122 1.511 -15.725 43.338 1.00 21.72 C ATOM 324 N VAL A 123 1.353 -14.162 46.813 1.00 19.64 N ATOM 325 CA VAL A 123 1.177 -13.331 47.998 1.00 21.09 C ATOM 326 C VAL A 123 -0.010 -13.841 48.827 1.00 21.68 C ATOM 327 O VAL A 123 0.090 -13.940 50.058 1.00 21.98 O ATOM 328 CB VAL A 123 1.028 -11.828 47.667 1.00 23.10 C ATOM 329 CG1 VAL A 123 0.576 -11.007 48.872 1.00 22.91 C ATOM 330 CG2 VAL A 123 2.329 -11.239 47.091 1.00 22.52 C ATOM 331 N LEU A 124 -1.157 -14.115 48.177 1.00 19.69 N ATOM 332 CA LEU A 124 -2.292 -14.664 48.937 1.00 20.42 C ATOM 333 C LEU A 124 -1.903 -15.974 49.640 1.00 22.82 C ATOM 334 O LEU A 124 -2.343 -16.233 50.766 1.00 21.84 O ATOM 335 CB LEU A 124 -3.473 -14.959 48.001 1.00 20.75 C ATOM 336 CG LEU A 124 -4.266 -13.737 47.536 1.00 27.53 C ATOM 337 CD1 LEU A 124 -5.178 -14.085 46.398 1.00 26.61 C ATOM 338 CD2 LEU A 124 -5.085 -13.137 48.694 1.00 25.15 C ATOM 339 N ARG A 125 -1.134 -16.829 48.966 1.00 19.44 N ATOM 340 CA ARG A 125 -0.731 -18.084 49.599 1.00 21.38 C ATOM 341 C ARG A 125 0.154 -17.819 50.816 1.00 22.19 C ATOM 342 O ARG A 125 -0.065 -18.423 51.882 1.00 24.78 O ATOM 343 CB ARG A 125 -0.007 -18.990 48.584 1.00 21.08 C ATOM 344 CG ARG A 125 -0.957 -19.490 47.513 1.00 23.34 C ATOM 345 CD ARG A 125 -0.153 -20.271 46.484 1.00 28.85 C ATOM 346 NE ARG A 125 -1.039 -20.754 45.438 1.00 27.12 N ATOM 347 CZ ARG A 125 -0.770 -20.597 44.135 1.00 28.45 C ATOM 348 NH1 ARG A 125 0.356 -20.024 43.713 1.00 26.55 N ATOM 349 NH2 ARG A 125 -1.679 -20.967 43.263 1.00 31.06 N ATOM 350 N GLU A 126 1.067 -16.862 50.684 1.00 22.46 N ATOM 351 CA GLU A 126 1.983 -16.540 51.775 1.00 24.60 C ATOM 352 C GLU A 126 1.233 -15.920 52.961 1.00 25.89 C ATOM 353 O GLU A 126 1.530 -16.227 54.106 1.00 23.32 O ATOM 354 CB GLU A 126 3.129 -15.659 51.285 1.00 25.51 C ATOM 355 CG GLU A 126 4.041 -15.197 52.417 1.00 30.87 C ATOM 356 CD GLU A 126 4.742 -16.280 53.247 1.00 43.23 C ATOM 357 OE1 GLU A 126 4.864 -17.432 52.780 1.00 40.84 O ATOM 358 OE2 GLU A 126 5.121 -15.988 54.394 1.00 44.62 O1- ATOM 359 N VAL A 127 0.255 -15.049 52.673 1.00 22.91 N ATOM 360 CA VAL A 127 -0.593 -14.525 53.740 1.00 23.71 C ATOM 361 C VAL A 127 -1.259 -15.653 54.513 1.00 22.21 C ATOM 362 O VAL A 127 -1.312 -15.637 55.750 1.00 22.81 O ATOM 363 CB VAL A 127 -1.646 -13.570 53.128 1.00 25.25 C ATOM 364 CG1 VAL A 127 -2.757 -13.262 54.100 1.00 30.20 C ATOM 365 CG2 VAL A 127 -0.986 -12.279 52.672 1.00 27.99 C ATOM 366 N GLY A 128 -1.821 -16.604 53.785 1.00 22.14 N ATOM 367 CA GLY A 128 -2.442 -17.745 54.427 1.00 22.78 C ATOM 368 C GLY A 128 -1.451 -18.542 55.271 1.00 23.87 C ATOM 369 O GLY A 128 -1.764 -18.941 56.388 1.00 22.30 O ATOM 370 N GLU A 129 -0.261 -18.756 54.733 1.00 21.51 N ATOM 371 CA GLU A 129 0.728 -19.541 55.469 1.00 22.91 C ATOM 372 C GLU A 129 1.196 -18.795 56.720 1.00 23.65 C ATOM 373 O GLU A 129 1.399 -19.441 57.750 1.00 24.38 O ATOM 374 CB GLU A 129 1.941 -19.865 54.571 1.00 26.11 C ATOM 375 CG GLU A 129 1.578 -20.795 53.406 1.00 26.49 C ATOM 376 CD GLU A 129 1.000 -22.109 53.911 1.00 33.44 C ATOM 377 OE1 GLU A 129 1.738 -22.809 54.616 1.00 35.44 O ATOM 378 OE2 GLU A 129 -0.214 -22.429 53.664 1.00 29.01 O1- ATOM 379 N ALA A 130 1.398 -17.472 56.623 1.00 23.02 N ATOM 380 CA ALA A 130 1.783 -16.675 57.784 1.00 22.19 C ATOM 381 C ALA A 130 0.699 -16.740 58.863 1.00 23.88 C ATOM 382 O ALA A 130 1.001 -16.854 60.057 1.00 21.13 O ATOM 383 CB ALA A 130 2.113 -15.245 57.398 1.00 22.79 C ATOM 384 N TRP A 131 -0.563 -16.693 58.454 1.00 22.77 N ATOM 385 CA TRP A 131 -1.635 -16.777 59.445 1.00 21.71 C ATOM 386 C TRP A 131 -1.578 -18.164 60.093 1.00 26.62 C ATOM 387 O TRP A 131 -1.681 -18.295 61.332 1.00 25.84 O ATOM 388 CB TRP A 131 -3.002 -16.510 58.794 1.00 24.16 C ATOM 389 CG TRP A 131 -4.114 -16.923 59.719 1.00 24.51 C ATOM 390 CD1 TRP A 131 -4.588 -16.240 60.809 1.00 26.51 C ATOM 391 CD2 TRP A 131 -4.865 -18.140 59.629 1.00 25.00 C ATOM 392 NE1 TRP A 131 -5.589 -16.981 61.416 1.00 24.69 N ATOM 393 CE2 TRP A 131 -5.745 -18.159 60.722 1.00 25.85 C ATOM 394 CE3 TRP A 131 -4.836 -19.249 58.759 1.00 26.03 C ATOM 395 CZ2 TRP A 131 -6.612 -19.233 60.939 1.00 24.85 C ATOM 396 CZ3 TRP A 131 -5.695 -20.306 58.961 1.00 25.40 C ATOM 397 CH2 TRP A 131 -6.600 -20.268 60.034 1.00 27.93 C ATOM 398 N HIS A 132 -1.452 -19.214 59.264 1.00 20.47 N ATOM 399 CA HIS A 132 -1.534 -20.571 59.794 1.00 25.29 C ATOM 400 C HIS A 132 -0.387 -20.823 60.774 1.00 28.23 C ATOM 401 O HIS A 132 -0.540 -21.642 61.680 1.00 25.40 O ATOM 402 CB HIS A 132 -1.516 -21.580 58.636 1.00 29.43 C ATOM 403 CG HIS A 132 -1.846 -22.987 59.029 1.00 39.54 C ATOM 404 ND1 HIS A 132 -0.908 -23.995 59.003 1.00 48.37 N ATOM 405 CD2 HIS A 132 -2.990 -23.543 59.463 1.00 42.15 C ATOM 406 CE1 HIS A 132 -1.484 -25.117 59.425 1.00 46.08 C ATOM 407 NE2 HIS A 132 -2.732 -24.858 59.722 1.00 40.15 N ATOM 408 N ARG A 133 0.768 -20.173 60.543 1.00 24.17 N ATOM 409 CA ARG A 133 1.956 -20.400 61.358 1.00 26.76 C ATOM 410 C ARG A 133 1.811 -19.604 62.657 1.00 27.56 C ATOM 411 O ARG A 133 2.713 -19.669 63.488 1.00 25.09 O ATOM 412 CB ARG A 133 3.215 -19.810 60.698 1.00 27.49 C ATOM 413 CG ARG A 133 3.772 -20.580 59.510 1.00 39.67 C ATOM 414 CD ARG A 133 5.143 -20.069 59.092 1.00 35.74 C ATOM 415 NE ARG A 133 5.182 -18.685 58.642 1.00 31.12 N ATOM 416 CZ ARG A 133 5.143 -18.339 57.353 1.00 31.66 C ATOM 417 NH1 ARG A 133 4.973 -19.261 56.420 1.00 31.18 N ATOM 418 NH2 ARG A 133 5.270 -17.073 57.022 1.00 31.14 N ATOM 419 N GLY A 134 0.745 -18.797 62.780 1.00 24.53 N ATOM 420 CA GLY A 134 0.540 -17.979 63.961 1.00 25.52 C ATOM 421 C GLY A 134 1.276 -16.637 63.919 1.00 24.00 C ATOM 422 O GLY A 134 1.231 -15.897 64.898 1.00 25.98 O ATOM 423 N AGLU A 135 1.875 -16.304 62.770 0.50 24.73 N ATOM 424 N BGLU A 135 1.869 -16.305 62.757 0.50 24.59 N ATOM 425 CA AGLU A 135 2.751 -15.144 62.727 0.50 26.20 C ATOM 426 CA BGLU A 135 2.785 -15.174 62.635 0.50 26.15 C ATOM 427 C AGLU A 135 1.964 -13.842 62.605 0.50 27.96 C ATOM 428 C BGLU A 135 2.043 -13.844 62.484 0.50 27.88 C ATOM 429 O AGLU A 135 2.377 -12.825 63.159 0.50 30.18 O ATOM 430 O BGLU A 135 2.560 -12.809 62.896 0.50 28.08 O ATOM 431 CB AGLU A 135 3.703 -15.250 61.540 0.50 27.13 C ATOM 432 CB BGLU A 135 3.712 -15.379 61.432 0.50 27.18 C ATOM 433 CG AGLU A 135 4.563 -16.484 61.614 0.50 32.07 C ATOM 434 CG BGLU A 135 4.612 -14.193 61.090 0.50 31.27 C ATOM 435 CD AGLU A 135 5.654 -16.513 60.557 0.50 33.67 C ATOM 436 CD BGLU A 135 5.624 -14.514 59.990 0.50 38.82 C ATOM 437 OE1AGLU A 135 5.820 -15.500 59.840 0.50 37.01 O ATOM 438 OE1BGLU A 135 5.419 -15.512 59.259 0.50 37.44 O ATOM 439 OE2AGLU A 135 6.328 -17.542 60.460 0.50 38.22 O1- ATOM 440 OE2BGLU A 135 6.641 -13.791 59.876 0.50 43.15 O1- ATOM 441 N ILE A 136 0.885 -13.855 61.813 1.00 25.81 N ATOM 442 CA ILE A 136 0.071 -12.637 61.649 1.00 25.98 C ATOM 443 C ILE A 136 -1.335 -12.956 62.137 1.00 26.97 C ATOM 444 O ILE A 136 -1.756 -14.110 62.102 1.00 29.11 O ATOM 445 CB ILE A 136 0.045 -12.144 60.184 1.00 27.31 C ATOM 446 CG1 ILE A 136 -0.585 -13.183 59.243 1.00 28.07 C ATOM 447 CG2 ILE A 136 1.430 -11.708 59.709 1.00 28.96 C ATOM 448 CD1 ILE A 136 -0.787 -12.707 57.785 1.00 29.73 C ATOM 449 N GLY A 137 -2.074 -11.915 62.551 1.00 26.13 N ATOM 450 CA GLY A 137 -3.456 -12.131 62.953 1.00 25.60 C ATOM 451 C GLY A 137 -4.409 -11.920 61.772 1.00 22.77 C ATOM 452 O GLY A 137 -4.008 -11.642 60.637 1.00 23.52 O ATOM 453 N VAL A 138 -5.698 -12.138 62.046 1.00 22.88 N ATOM 454 CA VAL A 138 -6.750 -12.110 61.042 1.00 21.77 C ATOM 455 C VAL A 138 -6.864 -10.740 60.361 1.00 22.71 C ATOM 456 O VAL A 138 -7.142 -10.670 59.155 1.00 22.09 O ATOM 457 CB VAL A 138 -8.076 -12.536 61.699 1.00 21.08 C ATOM 458 CG1 VAL A 138 -9.233 -12.386 60.724 1.00 20.35 C ATOM 459 CG2 VAL A 138 -7.957 -13.990 62.151 1.00 23.21 C ATOM 460 N ALA A 139 -6.726 -9.649 61.127 1.00 24.01 N ATOM 461 CA ALA A 139 -6.861 -8.309 60.558 1.00 24.67 C ATOM 462 C ALA A 139 -5.849 -8.065 59.438 1.00 23.44 C ATOM 463 O ALA A 139 -6.199 -7.477 58.425 1.00 23.35 O ATOM 464 CB ALA A 139 -6.815 -7.251 61.656 1.00 25.22 C ATOM 465 N AGLU A 140 -4.616 -8.572 59.624 0.50 24.50 N ATOM 466 N BGLU A 140 -4.600 -8.529 59.635 0.50 25.01 N ATOM 467 CA AGLU A 140 -3.542 -8.402 58.652 0.50 25.89 C ATOM 468 CA BGLU A 140 -3.564 -8.393 58.618 0.50 26.91 C ATOM 469 C AGLU A 140 -3.834 -9.182 57.369 0.50 24.06 C ATOM 470 C BGLU A 140 -3.919 -9.161 57.352 0.50 24.79 C ATOM 471 O AGLU A 140 -3.645 -8.681 56.259 0.50 24.85 O ATOM 472 O BGLU A 140 -3.833 -8.635 56.244 0.50 25.50 O ATOM 473 CB AGLU A 140 -2.220 -8.887 59.268 0.50 26.12 C ATOM 474 CB BGLU A 140 -2.230 -8.967 59.105 0.50 29.28 C ATOM 475 CG AGLU A 140 -2.069 -8.505 60.725 0.50 25.31 C ATOM 476 CG BGLU A 140 -1.470 -7.992 59.961 0.50 30.70 C ATOM 477 CD AGLU A 140 -0.724 -8.832 61.372 0.50 29.00 C ATOM 478 CD BGLU A 140 -1.636 -8.298 61.432 0.50 36.24 C ATOM 479 OE1AGLU A 140 0.308 -8.227 60.980 0.50 30.56 O ATOM 480 OE1BGLU A 140 -2.716 -8.785 61.800 0.50 33.69 O ATOM 481 OE2AGLU A 140 -0.701 -9.688 62.265 0.50 31.18 O1- ATOM 482 OE2BGLU A 140 -0.668 -8.092 62.192 0.50 42.27 O1- ATOM 483 N GLU A 141 -4.263 -10.443 57.496 1.00 21.36 N ATOM 484 CA GLU A 141 -4.713 -11.181 56.323 1.00 22.10 C ATOM 485 C GLU A 141 -5.835 -10.404 55.602 1.00 23.65 C ATOM 486 O GLU A 141 -5.814 -10.235 54.378 1.00 25.48 O ATOM 487 CB GLU A 141 -5.171 -12.616 56.649 1.00 23.88 C ATOM 488 CG GLU A 141 -6.008 -13.234 55.490 1.00 23.40 C ATOM 489 CD GLU A 141 -7.515 -12.931 55.520 1.00 27.98 C ATOM 490 OE1 GLU A 141 -8.101 -12.988 56.614 1.00 24.59 O ATOM 491 OE2 GLU A 141 -8.133 -12.642 54.455 1.00 29.94 O1- ATOM 492 N HIS A 142 -6.877 -9.996 56.347 1.00 21.81 N ATOM 493 CA HIS A 142 -8.011 -9.325 55.727 1.00 20.17 C ATOM 494 C HIS A 142 -7.536 -8.103 54.931 1.00 21.05 C ATOM 495 O HIS A 142 -8.000 -7.875 53.819 1.00 24.02 O ATOM 496 CB HIS A 142 -8.939 -8.792 56.847 1.00 22.76 C ATOM 497 CG HIS A 142 -9.932 -9.769 57.392 1.00 23.50 C ATOM 498 ND1 HIS A 142 -9.817 -11.144 57.316 1.00 23.39 N ATOM 499 CD2 HIS A 142 -11.085 -9.517 58.075 1.00 26.50 C ATOM 500 CE1 HIS A 142 -10.853 -11.712 57.923 1.00 22.90 C ATOM 501 NE2 HIS A 142 -11.646 -10.724 58.383 1.00 25.16 N ATOM 502 N LEU A 143 -6.631 -7.304 55.489 1.00 20.80 N ATOM 503 CA LEU A 143 -6.128 -6.112 54.798 1.00 23.33 C ATOM 504 C LEU A 143 -5.515 -6.506 53.441 1.00 25.59 C ATOM 505 O LEU A 143 -5.891 -5.959 52.394 1.00 25.51 O ATOM 506 CB LEU A 143 -5.120 -5.420 55.733 1.00 24.63 C ATOM 507 CG LEU A 143 -4.585 -4.028 55.365 1.00 30.66 C ATOM 508 CD1 LEU A 143 -3.616 -3.623 56.450 1.00 30.35 C ATOM 509 CD2 LEU A 143 -3.858 -4.012 54.033 1.00 36.31 C ATOM 510 N ALA A 144 -4.647 -7.532 53.440 1.00 24.74 N ATOM 511 CA ALA A 144 -3.984 -7.924 52.208 1.00 22.69 C ATOM 512 C ALA A 144 -4.959 -8.533 51.205 1.00 22.51 C ATOM 513 O ALA A 144 -4.916 -8.241 50.006 1.00 23.41 O ATOM 514 CB ALA A 144 -2.888 -8.951 52.524 1.00 22.77 C ATOM 515 N ASER A 145 -5.854 -9.397 51.697 0.50 20.95 N ATOM 516 N BSER A 145 -5.859 -9.414 51.663 0.50 21.21 N ATOM 517 CA ASER A 145 -6.751 -10.129 50.826 0.50 20.61 C ATOM 518 CA BSER A 145 -6.698 -10.092 50.694 0.50 21.30 C ATOM 519 C ASER A 145 -7.745 -9.180 50.165 0.50 21.97 C ATOM 520 C BSER A 145 -7.744 -9.146 50.121 0.50 22.22 C ATOM 521 O ASER A 145 -8.085 -9.358 48.997 0.50 21.60 O ATOM 522 O BSER A 145 -8.140 -9.317 48.971 0.50 22.27 O ATOM 523 CB ASER A 145 -7.447 -11.251 51.573 0.50 23.82 C ATOM 524 CB BSER A 145 -7.349 -11.339 51.229 0.50 25.44 C ATOM 525 OG ASER A 145 -6.480 -12.060 52.261 0.50 23.27 O ATOM 526 OG BSER A 145 -8.216 -11.019 52.288 0.50 24.43 O ATOM 527 N THR A 146 -8.207 -8.190 50.941 1.00 20.51 N ATOM 528 CA THR A 146 -9.205 -7.243 50.459 1.00 23.17 C ATOM 529 C THR A 146 -8.617 -6.407 49.335 1.00 22.84 C ATOM 530 O THR A 146 -9.275 -6.130 48.328 1.00 24.49 O ATOM 531 CB THR A 146 -9.732 -6.366 51.597 1.00 23.99 C ATOM 532 OG1 THR A 146 -10.442 -7.289 52.431 1.00 26.72 O ATOM 533 CG2 THR A 146 -10.712 -5.335 51.083 1.00 23.46 C ATOM 534 N PHE A 147 -7.398 -5.959 49.543 1.00 20.65 N ATOM 535 CA PHE A 147 -6.667 -5.228 48.514 1.00 21.52 C ATOM 536 C PHE A 147 -6.504 -6.084 47.251 1.00 23.09 C ATOM 537 O PHE A 147 -6.760 -5.614 46.131 1.00 21.85 O ATOM 538 CB PHE A 147 -5.318 -4.756 49.062 1.00 21.81 C ATOM 539 CG PHE A 147 -4.394 -4.170 48.010 1.00 24.96 C ATOM 540 CD1 PHE A 147 -3.568 -4.991 47.244 1.00 24.69 C ATOM 541 CD2 PHE A 147 -4.344 -2.795 47.801 1.00 30.95 C ATOM 542 CE1 PHE A 147 -2.712 -4.465 46.275 1.00 28.98 C ATOM 543 CE2 PHE A 147 -3.483 -2.269 46.837 1.00 29.80 C ATOM 544 CZ PHE A 147 -2.674 -3.104 46.082 1.00 28.50 C ATOM 545 N LEU A 148 -6.072 -7.332 47.381 1.00 19.90 N ATOM 546 CA LEU A 148 -5.799 -8.121 46.148 1.00 20.89 C ATOM 547 C LEU A 148 -7.099 -8.433 45.388 1.00 22.55 C ATOM 548 O LEU A 148 -7.095 -8.423 44.176 1.00 23.77 O ATOM 549 CB LEU A 148 -4.989 -9.362 46.527 1.00 24.42 C ATOM 550 CG LEU A 148 -3.552 -9.062 46.939 1.00 25.59 C ATOM 551 CD1 LEU A 148 -2.867 -10.306 47.472 1.00 25.90 C ATOM 552 CD2 LEU A 148 -2.773 -8.477 45.776 1.00 27.29 C ATOM 553 N AARG A 149 -8.191 -8.655 46.119 0.60 21.03 N ATOM 554 N BARG A 149 -8.192 -8.651 46.119 0.40 22.02 N ATOM 555 CA AARG A 149 -9.502 -8.892 45.459 0.60 24.89 C ATOM 556 CA BARG A 149 -9.495 -8.890 45.449 0.40 25.15 C ATOM 557 C AARG A 149 -9.877 -7.659 44.631 0.60 22.46 C ATOM 558 C BARG A 149 -9.868 -7.657 44.623 0.40 22.97 C ATOM 559 O AARG A 149 -10.321 -7.826 43.495 0.60 22.25 O ATOM 560 O BARG A 149 -10.305 -7.822 43.479 0.40 22.65 O ATOM 561 CB AARG A 149 -10.565 -9.166 46.525 0.60 25.76 C ATOM 562 CB BARG A 149 -10.586 -9.164 46.482 0.40 27.52 C ATOM 563 CG AARG A 149 -11.910 -9.621 45.983 0.60 33.67 C ATOM 564 CG BARG A 149 -11.909 -9.599 45.874 0.40 34.28 C ATOM 565 CD AARG A 149 -12.909 -9.750 47.116 0.60 35.36 C ATOM 566 CD BARG A 149 -12.998 -9.707 46.919 0.40 38.66 C ATOM 567 NE AARG A 149 -13.216 -8.464 47.725 0.60 30.26 N ATOM 568 NE BARG A 149 -12.631 -10.639 47.970 0.40 37.72 N ATOM 569 CZ AARG A 149 -13.988 -8.302 48.793 0.60 27.55 C ATOM 570 CZ BARG A 149 -12.003 -10.292 49.084 0.40 36.31 C ATOM 571 NH1AARG A 149 -14.867 -9.232 49.119 0.60 31.36 N ATOM 572 NH1BARG A 149 -12.414 -9.240 49.769 0.40 38.41 N ATOM 573 NH2AARG A 149 -13.880 -7.209 49.527 0.60 22.92 N ATOM 574 NH2BARG A 149 -10.951 -10.980 49.493 0.40 38.42 N ATOM 575 N ALA A 150 -9.603 -6.464 45.161 1.00 21.82 N ATOM 576 CA ALA A 150 -9.906 -5.212 44.431 1.00 21.32 C ATOM 577 C ALA A 150 -9.076 -5.130 43.144 1.00 23.38 C ATOM 578 O ALA A 150 -9.594 -4.681 42.138 1.00 24.38 O ATOM 579 CB ALA A 150 -9.611 -4.048 45.325 1.00 23.02 C ATOM 580 N ARG A 151 -7.809 -5.532 43.225 1.00 21.39 N ATOM 581 CA ARG A 151 -6.971 -5.490 42.029 1.00 21.58 C ATOM 582 C ARG A 151 -7.470 -6.486 40.975 1.00 24.91 C ATOM 583 O ARG A 151 -7.443 -6.188 39.762 1.00 26.59 O ATOM 584 CB ARG A 151 -5.507 -5.836 42.341 1.00 22.80 C ATOM 585 CG ARG A 151 -4.813 -4.919 43.327 1.00 23.25 C ATOM 586 CD ARG A 151 -4.460 -3.528 42.800 1.00 26.43 C ATOM 587 NE ARG A 151 -5.639 -2.752 42.509 1.00 27.84 N ATOM 588 CZ ARG A 151 -6.384 -2.163 43.440 1.00 32.70 C ATOM 589 NH1 ARG A 151 -6.110 -2.332 44.727 1.00 31.98 N ATOM 590 NH2 ARG A 151 -7.388 -1.379 43.076 1.00 30.40 N ATOM 591 N LEU A 152 -7.901 -7.686 41.392 1.00 22.30 N ATOM 592 CA LEU A 152 -8.416 -8.620 40.395 1.00 20.86 C ATOM 593 C LEU A 152 -9.764 -8.136 39.833 1.00 22.70 C ATOM 594 O LEU A 152 -10.041 -8.287 38.632 1.00 23.96 O ATOM 595 CB LEU A 152 -8.530 -10.022 41.001 1.00 21.81 C ATOM 596 CG LEU A 152 -9.117 -11.112 40.102 1.00 22.80 C ATOM 597 CD1 LEU A 152 -8.440 -11.254 38.734 1.00 21.02 C ATOM 598 CD2 LEU A 152 -9.041 -12.452 40.854 1.00 24.11 C ATOM 599 N GLN A 153 -10.621 -7.584 40.695 1.00 23.35 N ATOM 600 CA GLN A 153 -11.875 -7.028 40.177 1.00 26.05 C ATOM 601 C GLN A 153 -11.652 -5.928 39.130 1.00 26.47 C ATOM 602 O GLN A 153 -12.394 -5.836 38.128 1.00 26.04 O ATOM 603 CB GLN A 153 -12.748 -6.519 41.331 1.00 27.96 C ATOM 604 CG GLN A 153 -14.063 -5.942 40.822 1.00 30.82 C ATOM 605 CD GLN A 153 -14.952 -7.001 40.209 1.00 32.80 C ATOM 606 OE1 GLN A 153 -15.226 -8.033 40.806 1.00 40.29 O ATOM 607 NE2 GLN A 153 -15.411 -6.763 38.984 1.00 39.91 N ATOM 608 N GLU A 154 -10.665 -5.060 39.364 1.00 26.96 N ATOM 609 CA GLU A 154 -10.264 -4.046 38.398 1.00 28.53 C ATOM 610 C GLU A 154 -9.911 -4.694 37.062 1.00 27.30 C ATOM 611 O GLU A 154 -10.351 -4.258 35.996 1.00 24.50 O ATOM 612 CB GLU A 154 -9.119 -3.247 39.034 1.00 29.78 C ATOM 613 CG GLU A 154 -8.539 -2.055 38.308 1.00 40.83 C ATOM 614 CD GLU A 154 -7.589 -1.302 39.256 1.00 49.56 C ATOM 615 OE1 GLU A 154 -6.592 -1.924 39.771 1.00 43.25 O ATOM 616 OE2 GLU A 154 -7.864 -0.114 39.535 1.00 62.83 O1- ATOM 617 N LEU A 155 -9.068 -5.728 37.081 1.00 25.91 N ATOM 618 CA LEU A 155 -8.708 -6.402 35.842 1.00 24.42 C ATOM 619 C LEU A 155 -9.936 -7.009 35.154 1.00 25.89 C ATOM 620 O LEU A 155 -10.051 -6.985 33.920 1.00 23.20 O ATOM 621 CB LEU A 155 -7.682 -7.505 36.138 1.00 25.89 C ATOM 622 CG LEU A 155 -6.293 -6.932 36.453 1.00 28.94 C ATOM 623 CD1 LEU A 155 -5.336 -8.062 36.847 1.00 31.65 C ATOM 624 CD2 LEU A 155 -5.746 -6.196 35.224 1.00 27.17 C ATOM 625 N LEU A 156 -10.800 -7.641 35.948 1.00 23.66 N ATOM 626 CA LEU A 156 -11.966 -8.319 35.411 1.00 25.79 C ATOM 627 C LEU A 156 -12.867 -7.330 34.654 1.00 22.21 C ATOM 628 O LEU A 156 -13.358 -7.641 33.555 1.00 24.00 O ATOM 629 CB LEU A 156 -12.731 -8.954 36.589 1.00 24.62 C ATOM 630 CG LEU A 156 -13.969 -9.759 36.219 1.00 29.84 C ATOM 631 CD1 LEU A 156 -13.645 -10.931 35.294 1.00 27.19 C ATOM 632 CD2 LEU A 156 -14.623 -10.268 37.508 1.00 32.63 C ATOM 633 N ASP A 157 -13.091 -6.153 35.226 1.00 23.54 N ATOM 634 CA ASP A 157 -13.926 -5.127 34.576 1.00 27.18 C ATOM 635 C ASP A 157 -13.312 -4.572 33.281 1.00 27.21 C ATOM 636 O ASP A 157 -14.031 -4.044 32.429 1.00 28.49 O ATOM 637 CB ASP A 157 -14.171 -3.951 35.527 1.00 27.73 C ATOM 638 CG ASP A 157 -15.083 -4.318 36.693 1.00 35.02 C ATOM 639 OD1 ASP A 157 -15.877 -5.277 36.523 1.00 37.45 O ATOM 640 OD2 ASP A 157 -15.023 -3.622 37.758 1.00 38.68 O1- ATOM 641 N LEU A 158 -11.991 -4.646 33.137 1.00 21.98 N ATOM 642 CA LEU A 158 -11.336 -4.217 31.902 1.00 22.00 C ATOM 643 C LEU A 158 -11.316 -5.281 30.807 1.00 22.59 C ATOM 644 O LEU A 158 -11.033 -4.955 29.661 1.00 23.88 O ATOM 645 CB LEU A 158 -9.907 -3.759 32.226 1.00 22.22 C ATOM 646 CG LEU A 158 -9.859 -2.528 33.121 1.00 26.46 C ATOM 647 CD1 LEU A 158 -8.423 -2.257 33.547 1.00 32.98 C ATOM 648 CD2 LEU A 158 -10.413 -1.316 32.381 1.00 32.42 C ATOM 649 N ALA A 159 -11.617 -6.548 31.114 1.00 21.77 N ATOM 650 CA ALA A 159 -11.673 -7.562 30.066 1.00 20.77 C ATOM 651 C ALA A 159 -12.920 -7.343 29.193 1.00 23.99 C ATOM 652 O ALA A 159 -13.859 -6.653 29.594 1.00 25.91 O ATOM 653 CB ALA A 159 -11.709 -8.932 30.745 1.00 21.22 C ATOM 654 N GLY A 160 -12.914 -7.833 27.954 1.00 25.03 N ATOM 655 CA GLY A 160 -14.158 -7.855 27.173 1.00 34.45 C ATOM 656 C GLY A 160 -15.371 -8.490 27.882 1.00 41.43 C ATOM 657 O GLY A 160 -15.227 -9.299 28.806 1.00 34.17 O ATOM 658 N PHE A 161 -16.589 -8.140 27.434 1.00 40.03 N ATOM 659 CA PHE A 161 -17.813 -8.814 27.896 1.00 39.72 C ATOM 660 C PHE A 161 -18.763 -8.949 26.725 1.00 37.25 C ATOM 661 O PHE A 161 -19.613 -8.100 26.508 1.00 49.29 O ATOM 662 CB PHE A 161 -18.533 -8.145 29.083 1.00 40.30 C ATOM 663 CG PHE A 161 -19.672 -8.958 29.692 1.00 44.01 C ATOM 664 CD1 PHE A 161 -19.422 -10.082 30.488 1.00 40.32 C ATOM 665 CD2 PHE A 161 -21.011 -8.647 29.439 1.00 43.88 C ATOM 666 CE1 PHE A 161 -20.461 -10.855 31.017 1.00 36.97 C ATOM 667 CE2 PHE A 161 -22.058 -9.413 29.959 1.00 36.91 C ATOM 668 CZ PHE A 161 -21.781 -10.515 30.756 1.00 38.54 C ATOM 669 N PRO A 162 -18.621 -10.025 25.944 1.00 37.47 N ATOM 670 CA PRO A 162 -19.449 -10.235 24.762 1.00 38.72 C ATOM 671 C PRO A 162 -20.937 -10.266 25.104 1.00 40.67 C ATOM 672 O PRO A 162 -21.352 -10.597 26.221 1.00 36.28 O ATOM 673 CB PRO A 162 -19.009 -11.620 24.270 1.00 39.66 C ATOM 674 CG PRO A 162 -17.595 -11.722 24.796 1.00 40.10 C ATOM 675 CD PRO A 162 -17.679 -11.119 26.182 1.00 31.15 C ATOM 676 N PRO A 163 -21.779 -9.923 24.116 1.00 42.75 N ATOM 677 CA PRO A 163 -23.178 -10.340 24.141 1.00 42.26 C ATOM 678 C PRO A 163 -23.267 -11.865 24.039 1.00 41.43 C ATOM 679 O PRO A 163 -22.284 -12.574 23.752 1.00 41.23 O ATOM 680 CB PRO A 163 -23.753 -9.675 22.873 1.00 44.02 C ATOM 681 CG PRO A 163 -22.558 -9.487 21.959 1.00 50.70 C ATOM 682 CD PRO A 163 -21.403 -9.186 22.890 1.00 47.87 C ATOM 683 N GLY A 164 -24.477 -12.367 24.263 1.00 39.29 N ATOM 684 CA GLY A 164 -24.708 -13.791 24.096 1.00 38.66 C ATOM 685 C GLY A 164 -24.924 -14.481 25.441 1.00 38.28 C ATOM 686 O GLY A 164 -24.827 -13.848 26.503 1.00 36.39 O ATOM 687 N PRO A 165 -25.269 -15.783 25.428 1.00 37.75 N ATOM 688 CA PRO A 165 -25.665 -16.476 26.658 1.00 35.54 C ATOM 689 C PRO A 165 -24.496 -16.594 27.627 1.00 30.20 C ATOM 690 O PRO A 165 -23.410 -17.020 27.260 1.00 34.12 O ATOM 691 CB PRO A 165 -26.045 -17.872 26.159 1.00 38.78 C ATOM 692 CG PRO A 165 -26.437 -17.626 24.701 1.00 37.85 C ATOM 693 CD PRO A 165 -25.385 -16.645 24.235 1.00 37.81 C ATOM 694 N PRO A 166 -24.727 -16.200 28.885 1.00 31.03 N ATOM 695 CA PRO A 166 -23.658 -16.092 29.866 1.00 28.51 C ATOM 696 C PRO A 166 -23.213 -17.427 30.445 1.00 29.38 C ATOM 697 O PRO A 166 -23.825 -18.481 30.275 1.00 27.43 O ATOM 698 CB PRO A 166 -24.313 -15.189 30.919 1.00 30.84 C ATOM 699 CG PRO A 166 -25.773 -15.589 30.890 1.00 32.50 C ATOM 700 CD PRO A 166 -26.029 -15.747 29.411 1.00 28.83 C ATOM 701 N VAL A 167 -22.084 -17.368 31.139 1.00 23.64 N ATOM 702 CA VAL A 167 -21.648 -18.465 31.997 1.00 25.18 C ATOM 703 C VAL A 167 -21.640 -17.906 33.420 1.00 25.59 C ATOM 704 O VAL A 167 -21.074 -16.832 33.664 1.00 27.44 O ATOM 705 CB VAL A 167 -20.250 -18.958 31.568 1.00 26.52 C ATOM 706 CG1 VAL A 167 -19.623 -19.922 32.575 1.00 28.71 C ATOM 707 CG2 VAL A 167 -20.258 -19.565 30.155 1.00 25.95 C ATOM 708 N LEU A 168 -22.313 -18.592 34.350 1.00 21.29 N ATOM 709 CA LEU A 168 -22.394 -18.044 35.706 1.00 21.40 C ATOM 710 C LEU A 168 -21.272 -18.660 36.539 1.00 21.73 C ATOM 711 O LEU A 168 -21.040 -19.875 36.492 1.00 21.06 O ATOM 712 CB LEU A 168 -23.739 -18.410 36.337 1.00 21.32 C ATOM 713 CG LEU A 168 -25.001 -17.995 35.569 1.00 26.35 C ATOM 714 CD1 LEU A 168 -26.227 -18.163 36.491 1.00 24.59 C ATOM 715 CD2 LEU A 168 -24.894 -16.539 35.116 1.00 25.65 C ATOM 716 N VAL A 169 -20.583 -17.804 37.303 1.00 19.77 N ATOM 717 CA VAL A 169 -19.405 -18.257 38.051 1.00 19.12 C ATOM 718 C VAL A 169 -19.605 -17.889 39.521 1.00 20.80 C ATOM 719 O VAL A 169 -19.906 -16.721 39.832 1.00 19.86 O ATOM 720 CB VAL A 169 -18.101 -17.620 37.530 1.00 22.62 C ATOM 721 CG1 VAL A 169 -16.900 -18.299 38.218 1.00 24.37 C ATOM 722 CG2 VAL A 169 -17.973 -17.784 36.002 1.00 21.70 C ATOM 723 N THR A 170 -19.480 -18.898 40.421 1.00 20.31 N ATOM 724 CA THR A 170 -19.715 -18.651 41.834 1.00 19.75 C ATOM 725 C THR A 170 -18.945 -19.704 42.621 1.00 20.07 C ATOM 726 O THR A 170 -18.076 -20.382 42.066 1.00 21.33 O ATOM 727 CB THR A 170 -21.213 -18.505 42.196 1.00 20.58 C ATOM 728 OG1 THR A 170 -21.371 -18.098 43.568 1.00 21.52 O ATOM 729 CG2 THR A 170 -21.975 -19.806 41.956 1.00 21.69 C ATOM 730 N THR A 171 -19.260 -19.813 43.927 1.00 19.95 N ATOM 731 CA THR A 171 -18.666 -20.855 44.739 1.00 19.73 C ATOM 732 C THR A 171 -19.815 -21.630 45.379 1.00 23.21 C ATOM 733 O THR A 171 -20.946 -21.132 45.455 1.00 23.28 O ATOM 734 CB THR A 171 -17.756 -20.258 45.821 1.00 19.34 C ATOM 735 OG1 THR A 171 -18.539 -19.609 46.828 1.00 21.28 O ATOM 736 CG2 THR A 171 -16.697 -19.315 45.245 1.00 21.97 C ATOM 737 N PRO A 172 -19.573 -22.870 45.849 1.00 23.78 N ATOM 738 CA PRO A 172 -20.649 -23.633 46.480 1.00 22.41 C ATOM 739 C PRO A 172 -21.172 -22.958 47.738 1.00 23.61 C ATOM 740 O PRO A 172 -20.497 -22.174 48.412 1.00 22.61 O ATOM 741 CB PRO A 172 -19.977 -24.962 46.883 1.00 23.91 C ATOM 742 CG PRO A 172 -18.724 -25.046 46.055 1.00 27.48 C ATOM 743 CD PRO A 172 -18.302 -23.598 45.779 1.00 23.71 C ATOM 744 N PRO A 173 -22.387 -23.316 48.172 1.00 25.48 N ATOM 745 CA PRO A 173 -22.912 -22.811 49.451 1.00 25.36 C ATOM 746 C PRO A 173 -21.928 -23.189 50.560 1.00 25.75 C ATOM 747 O PRO A 173 -21.419 -24.326 50.623 1.00 26.61 O ATOM 748 CB PRO A 173 -24.227 -23.629 49.623 1.00 26.59 C ATOM 749 CG PRO A 173 -24.571 -24.089 48.240 1.00 25.30 C ATOM 750 CD PRO A 173 -23.268 -24.300 47.509 1.00 23.56 C ATOM 751 N GLY A 174 -21.613 -22.198 51.409 1.00 22.51 N ATOM 752 CA GLY A 174 -20.669 -22.456 52.482 1.00 24.17 C ATOM 753 C GLY A 174 -19.223 -22.033 52.164 1.00 24.94 C ATOM 754 O GLY A 174 -18.385 -22.014 53.065 1.00 27.49 O ATOM 755 N GLU A 175 -18.929 -21.749 50.897 1.00 22.89 N ATOM 756 CA GLU A 175 -17.580 -21.388 50.470 1.00 21.88 C ATOM 757 C GLU A 175 -17.473 -19.867 50.374 1.00 23.20 C ATOM 758 O GLU A 175 -18.053 -19.257 49.470 1.00 22.89 O ATOM 759 CB GLU A 175 -17.302 -22.071 49.128 1.00 21.56 C ATOM 760 CG GLU A 175 -15.936 -21.646 48.557 1.00 24.10 C ATOM 761 CD GLU A 175 -14.816 -22.020 49.517 1.00 26.74 C ATOM 762 OE1 GLU A 175 -14.441 -23.194 49.520 1.00 29.40 O ATOM 763 OE2 GLU A 175 -14.354 -21.141 50.283 1.00 25.47 O1- ATOM 764 N AARG A 176 -16.700 -19.270 51.282 0.50 22.36 N ATOM 765 N BARG A 176 -16.726 -19.266 51.305 0.50 22.21 N ATOM 766 CA AARG A 176 -16.610 -17.788 51.334 0.50 22.69 C ATOM 767 CA BARG A 176 -16.604 -17.816 51.366 0.50 22.41 C ATOM 768 C AARG A 176 -15.366 -17.280 50.590 0.50 22.86 C ATOM 769 C BARG A 176 -15.374 -17.289 50.617 0.50 22.70 C ATOM 770 O AARG A 176 -15.211 -16.059 50.481 0.50 21.73 O ATOM 771 O BARG A 176 -15.218 -16.065 50.499 0.50 21.70 O ATOM 772 CB AARG A 176 -16.629 -17.330 52.793 0.50 26.66 C ATOM 773 CB BARG A 176 -16.630 -17.332 52.816 0.50 26.04 C ATOM 774 CG AARG A 176 -17.750 -17.968 53.600 0.50 29.99 C ATOM 775 CG BARG A 176 -17.948 -17.667 53.512 0.50 28.11 C ATOM 776 CD AARG A 176 -18.248 -17.149 54.772 0.50 33.63 C ATOM 777 CD BARG A 176 -18.065 -17.194 54.949 0.50 32.49 C ATOM 778 NE AARG A 176 -17.182 -16.453 55.464 0.50 37.27 N ATOM 779 NE BARG A 176 -19.242 -17.634 55.698 0.50 35.89 N ATOM 780 CZ AARG A 176 -16.697 -16.808 56.645 0.50 38.74 C ATOM 781 CZ BARG A 176 -19.395 -17.388 57.001 0.50 41.19 C ATOM 782 NH1AARG A 176 -17.387 -17.606 57.440 0.50 38.37 N ATOM 783 NH1BARG A 176 -18.471 -16.693 57.643 0.50 43.08 N ATOM 784 NH2AARG A 176 -15.524 -16.341 57.029 0.50 33.94 N ATOM 785 NH2BARG A 176 -20.445 -17.844 57.663 0.50 36.81 N ATOM 786 N HIS A 177 -14.502 -18.193 50.151 1.00 21.01 N ATOM 787 CA HIS A 177 -13.301 -17.770 49.438 1.00 23.80 C ATOM 788 C HIS A 177 -13.647 -17.511 47.978 1.00 25.37 C ATOM 789 O HIS A 177 -14.079 -18.434 47.280 1.00 25.63 O ATOM 790 CB HIS A 177 -12.237 -18.864 49.462 1.00 20.50 C ATOM 791 CG HIS A 177 -11.736 -19.165 50.849 1.00 22.49 C ATOM 792 ND1 HIS A 177 -12.287 -20.186 51.590 1.00 24.06 N ATOM 793 CD2 HIS A 177 -10.713 -18.696 51.573 1.00 25.10 C ATOM 794 CE1 HIS A 177 -11.666 -20.275 52.753 1.00 23.17 C ATOM 795 NE2 HIS A 177 -10.681 -19.398 52.765 1.00 21.20 N ATOM 796 N GLU A 178 -13.438 -16.274 47.516 1.00 21.72 N ATOM 797 CA GLU A 178 -14.079 -15.926 46.250 1.00 22.59 C ATOM 798 C GLU A 178 -13.075 -15.730 45.114 1.00 23.98 C ATOM 799 O GLU A 178 -13.476 -15.693 43.936 1.00 20.81 O ATOM 800 CB GLU A 178 -15.011 -14.713 46.457 1.00 23.63 C ATOM 801 CG GLU A 178 -14.314 -13.383 46.465 1.00 23.25 C ATOM 802 CD GLU A 178 -15.306 -12.246 46.774 1.00 26.85 C ATOM 803 OE1 GLU A 178 -16.048 -11.811 45.843 1.00 24.92 O ATOM 804 OE2 GLU A 178 -15.392 -11.822 47.956 1.00 26.65 O1- ATOM 805 N ILE A 179 -11.779 -15.606 45.430 1.00 21.86 N ATOM 806 CA ILE A 179 -10.816 -15.249 44.377 1.00 23.84 C ATOM 807 C ILE A 179 -10.674 -16.310 43.274 1.00 23.23 C ATOM 808 O ILE A 179 -10.442 -15.974 42.104 1.00 23.45 O ATOM 809 CB ILE A 179 -9.461 -14.886 45.024 1.00 24.46 C ATOM 810 CG1 ILE A 179 -9.604 -13.502 45.666 1.00 32.42 C ATOM 811 CG2 ILE A 179 -8.359 -14.892 43.967 1.00 24.69 C ATOM 812 CD1 ILE A 179 -8.564 -13.177 46.716 1.00 43.99 C ATOM 813 N GLY A 180 -10.775 -17.597 43.634 1.00 22.52 N ATOM 814 CA GLY A 180 -10.763 -18.666 42.637 1.00 20.70 C ATOM 815 C GLY A 180 -11.885 -18.479 41.608 1.00 23.53 C ATOM 816 O GLY A 180 -11.653 -18.616 40.397 1.00 23.14 O ATOM 817 N ALA A 181 -13.103 -18.173 42.077 1.00 20.89 N ATOM 818 CA ALA A 181 -14.217 -17.938 41.152 1.00 23.60 C ATOM 819 C ALA A 181 -13.938 -16.699 40.297 1.00 23.54 C ATOM 820 O ALA A 181 -14.266 -16.674 39.121 1.00 22.71 O ATOM 821 CB ALA A 181 -15.514 -17.764 41.912 1.00 21.17 C ATOM 822 N MET A 182 -13.376 -15.637 40.894 1.00 21.96 N ATOM 823 CA MET A 182 -13.011 -14.453 40.129 1.00 22.47 C ATOM 824 C MET A 182 -11.991 -14.781 39.056 1.00 20.91 C ATOM 825 O MET A 182 -12.085 -14.234 37.963 1.00 21.97 O ATOM 826 CB MET A 182 -12.442 -13.338 41.033 1.00 20.99 C ATOM 827 CG MET A 182 -13.553 -12.845 42.009 1.00 25.59 C ATOM 828 SD MET A 182 -12.923 -11.548 43.154 1.00 30.25 S ATOM 829 CE MET A 182 -12.391 -10.365 41.910 1.00 22.95 C ATOM 830 N LEU A 183 -10.955 -15.569 39.404 1.00 22.39 N ATOM 831 CA LEU A 183 -9.964 -15.977 38.403 1.00 22.25 C ATOM 832 C LEU A 183 -10.614 -16.746 37.258 1.00 22.25 C ATOM 833 O LEU A 183 -10.248 -16.597 36.086 1.00 21.07 O ATOM 834 CB LEU A 183 -8.918 -16.869 39.078 1.00 22.91 C ATOM 835 CG LEU A 183 -7.977 -16.137 40.011 1.00 29.06 C ATOM 836 CD1 LEU A 183 -7.142 -17.173 40.797 1.00 29.07 C ATOM 837 CD2 LEU A 183 -7.084 -15.166 39.192 1.00 26.76 C ATOM 838 N ALA A 184 -11.577 -17.610 37.587 1.00 22.44 N ATOM 839 CA ALA A 184 -12.227 -18.389 36.537 1.00 22.17 C ATOM 840 C ALA A 184 -12.994 -17.452 35.611 1.00 22.79 C ATOM 841 O ALA A 184 -12.905 -17.575 34.391 1.00 24.90 O ATOM 842 CB ALA A 184 -13.136 -19.465 37.118 1.00 22.76 C ATOM 843 N ALA A 185 -13.741 -16.502 36.185 1.00 23.19 N ATOM 844 CA ALA A 185 -14.450 -15.543 35.362 1.00 21.49 C ATOM 845 C ALA A 185 -13.454 -14.765 34.484 1.00 22.69 C ATOM 846 O ALA A 185 -13.746 -14.451 33.323 1.00 22.80 O ATOM 847 CB ALA A 185 -15.284 -14.621 36.236 1.00 23.98 C ATOM 848 N TYR A 186 -12.294 -14.415 35.062 1.00 20.67 N ATOM 849 CA TYR A 186 -11.366 -13.576 34.328 1.00 22.91 C ATOM 850 C TYR A 186 -10.803 -14.310 33.106 1.00 22.15 C ATOM 851 O TYR A 186 -10.774 -13.786 31.976 1.00 23.53 O ATOM 852 CB TYR A 186 -10.234 -13.132 35.265 1.00 21.06 C ATOM 853 CG TYR A 186 -9.328 -12.118 34.623 1.00 20.73 C ATOM 854 CD1 TYR A 186 -9.816 -10.942 34.068 1.00 21.65 C ATOM 855 CD2 TYR A 186 -7.969 -12.374 34.557 1.00 25.70 C ATOM 856 CE1 TYR A 186 -8.957 -10.024 33.455 1.00 21.76 C ATOM 857 CE2 TYR A 186 -7.114 -11.474 33.932 1.00 27.49 C ATOM 858 CZ TYR A 186 -7.604 -10.283 33.428 1.00 26.27 C ATOM 859 OH TYR A 186 -6.710 -9.398 32.813 1.00 31.17 O ATOM 860 N HIS A 187 -10.362 -15.531 33.314 1.00 22.76 N ATOM 861 CA HIS A 187 -9.808 -16.360 32.253 1.00 24.94 C ATOM 862 C HIS A 187 -10.856 -16.568 31.164 1.00 24.95 C ATOM 863 O HIS A 187 -10.514 -16.545 29.983 1.00 27.69 O ATOM 864 CB HIS A 187 -9.327 -17.696 32.832 1.00 25.64 C ATOM 865 CG HIS A 187 -7.925 -17.571 33.314 1.00 31.05 C ATOM 866 ND1 HIS A 187 -7.578 -17.068 34.554 1.00 35.82 N ATOM 867 CD2 HIS A 187 -6.761 -17.832 32.653 1.00 32.70 C ATOM 868 CE1 HIS A 187 -6.251 -17.045 34.655 1.00 37.52 C ATOM 869 NE2 HIS A 187 -5.730 -17.499 33.518 1.00 36.89 N ATOM 870 N LEU A 188 -12.115 -16.786 31.560 1.00 24.62 N ATOM 871 CA LEU A 188 -13.194 -16.902 30.579 1.00 24.48 C ATOM 872 C LEU A 188 -13.388 -15.615 29.773 1.00 24.14 C ATOM 873 O LEU A 188 -13.470 -15.673 28.539 1.00 24.28 O ATOM 874 CB LEU A 188 -14.483 -17.361 31.263 1.00 23.49 C ATOM 875 CG LEU A 188 -14.477 -18.823 31.712 1.00 25.78 C ATOM 876 CD1 LEU A 188 -15.633 -19.122 32.685 1.00 27.75 C ATOM 877 CD2 LEU A 188 -14.585 -19.764 30.493 1.00 29.92 C ATOM 878 N ARG A 189 -13.443 -14.459 30.443 1.00 23.98 N ATOM 879 CA ARG A 189 -13.712 -13.206 29.742 1.00 25.75 C ATOM 880 C ARG A 189 -12.541 -12.853 28.827 1.00 27.13 C ATOM 881 O ARG A 189 -12.753 -12.294 27.745 1.00 27.84 O ATOM 882 CB ARG A 189 -14.037 -12.071 30.716 1.00 26.31 C ATOM 883 CG ARG A 189 -15.502 -12.132 31.142 1.00 30.32 C ATOM 884 CD ARG A 189 -15.957 -11.055 32.093 1.00 33.26 C ATOM 885 NE ARG A 189 -15.715 -9.722 31.571 1.00 33.97 N ATOM 886 CZ ARG A 189 -16.019 -8.607 32.243 1.00 36.88 C ATOM 887 NH1 ARG A 189 -16.527 -8.706 33.461 1.00 28.53 N ATOM 888 NH2 ARG A 189 -15.789 -7.411 31.697 1.00 36.55 N ATOM 889 N ARG A 190 -11.336 -13.212 29.248 1.00 22.72 N ATOM 890 CA ARG A 190 -10.180 -12.874 28.402 1.00 25.36 C ATOM 891 C ARG A 190 -10.204 -13.692 27.112 1.00 29.01 C ATOM 892 O ARG A 190 -9.522 -13.326 26.146 1.00 26.05 O ATOM 893 CB ARG A 190 -8.870 -13.174 29.132 1.00 25.63 C ATOM 894 CG ARG A 190 -8.613 -12.259 30.318 1.00 31.42 C ATOM 895 CD ARG A 190 -7.840 -11.058 29.862 1.00 30.63 C ATOM 896 NE ARG A 190 -6.483 -11.459 29.430 1.00 26.84 N ATOM 897 CZ ARG A 190 -5.665 -10.632 28.777 1.00 28.71 C ATOM 898 NH1 ARG A 190 -6.062 -9.419 28.453 1.00 28.48 N ATOM 899 NH2 ARG A 190 -4.435 -11.019 28.469 1.00 27.72 N ATOM 900 N LYS A 191 -10.977 -14.797 27.088 1.00 27.92 N ATOM 901 CA LYS A 191 -11.175 -15.552 25.845 1.00 30.44 C ATOM 902 C LYS A 191 -12.546 -15.317 25.218 1.00 30.47 C ATOM 903 O LYS A 191 -13.000 -16.078 24.357 1.00 34.32 O ATOM 904 CB LYS A 191 -10.940 -17.042 26.083 1.00 35.31 C ATOM 905 CG LYS A 191 -9.516 -17.367 26.487 1.00 35.27 C ATOM 906 CD LYS A 191 -8.524 -17.089 25.390 1.00 51.68 C ATOM 907 CE LYS A 191 -7.126 -17.550 25.741 1.00 58.72 C ATOM 908 NZ LYS A 191 -6.198 -17.323 24.613 1.00 64.49 N ATOM 909 N GLY A 192 -13.189 -14.214 25.559 1.00 31.99 N ATOM 910 CA GLY A 192 -14.406 -13.828 24.852 1.00 38.15 C ATOM 911 C GLY A 192 -15.632 -14.635 25.281 1.00 40.52 C ATOM 912 O GLY A 192 -16.565 -14.772 24.510 1.00 43.15 O ATOM 913 N VAL A 193 -15.634 -15.156 26.512 1.00 32.58 N ATOM 914 CA VAL A 193 -16.809 -15.825 27.060 1.00 30.10 C ATOM 915 C VAL A 193 -17.465 -14.884 28.060 1.00 31.72 C ATOM 916 O VAL A 193 -16.804 -14.348 28.969 1.00 28.05 O ATOM 917 CB VAL A 193 -16.418 -17.167 27.691 1.00 28.13 C ATOM 918 CG1 VAL A 193 -17.582 -17.813 28.452 1.00 35.11 C ATOM 919 CG2 VAL A 193 -15.797 -18.119 26.689 1.00 29.52 C ATOM 920 N PRO A 194 -18.774 -14.606 27.922 1.00 27.68 N ATOM 921 CA PRO A 194 -19.440 -13.706 28.840 1.00 28.54 C ATOM 922 C PRO A 194 -19.673 -14.357 30.199 1.00 29.22 C ATOM 923 O PRO A 194 -20.779 -14.788 30.539 1.00 33.85 O ATOM 924 CB PRO A 194 -20.774 -13.384 28.144 1.00 32.24 C ATOM 925 CG PRO A 194 -21.022 -14.540 27.218 1.00 33.13 C ATOM 926 CD PRO A 194 -19.679 -15.143 26.876 1.00 31.85 C ATOM 927 N ALA A 195 -18.624 -14.382 31.012 1.00 27.38 N ATOM 928 CA ALA A 195 -18.720 -14.949 32.355 1.00 24.95 C ATOM 929 C ALA A 195 -19.291 -13.906 33.309 1.00 30.17 C ATOM 930 O ALA A 195 -18.721 -12.832 33.472 1.00 32.68 O ATOM 931 CB ALA A 195 -17.331 -15.418 32.778 1.00 30.20 C ATOM 932 N LEU A 196 -20.428 -14.216 33.942 1.00 24.31 N ATOM 933 CA LEU A 196 -21.013 -13.368 34.979 1.00 26.17 C ATOM 934 C LEU A 196 -20.503 -13.884 36.316 1.00 27.15 C ATOM 935 O LEU A 196 -20.834 -15.005 36.715 1.00 23.57 O ATOM 936 CB LEU A 196 -22.549 -13.488 34.984 1.00 29.24 C ATOM 937 CG LEU A 196 -23.340 -12.803 33.871 1.00 37.93 C ATOM 938 CD1 LEU A 196 -24.823 -13.158 33.988 1.00 30.62 C ATOM 939 CD2 LEU A 196 -23.160 -11.282 33.936 1.00 39.99 C ATOM 940 N TYR A 197 -19.743 -13.055 37.031 1.00 27.65 N ATOM 941 CA TYR A 197 -19.279 -13.430 38.355 1.00 23.41 C ATOM 942 C TYR A 197 -20.332 -13.000 39.370 1.00 22.96 C ATOM 943 O TYR A 197 -20.635 -11.802 39.544 1.00 25.12 O ATOM 944 CB TYR A 197 -17.960 -12.683 38.628 1.00 25.31 C ATOM 945 CG TYR A 197 -17.511 -12.882 40.048 1.00 24.03 C ATOM 946 CD1 TYR A 197 -17.413 -14.157 40.568 1.00 24.44 C ATOM 947 CD2 TYR A 197 -17.253 -11.796 40.874 1.00 25.25 C ATOM 948 CE1 TYR A 197 -17.085 -14.376 41.895 1.00 25.97 C ATOM 949 CE2 TYR A 197 -16.925 -12.013 42.204 1.00 25.65 C ATOM 950 CZ TYR A 197 -16.813 -13.293 42.708 1.00 23.41 C ATOM 951 OH TYR A 197 -16.493 -13.516 44.031 1.00 26.35 O ATOM 952 N LEU A 198 -20.899 -13.965 40.075 1.00 21.92 N ATOM 953 CA LEU A 198 -22.020 -13.658 40.969 1.00 22.11 C ATOM 954 C LEU A 198 -21.548 -13.211 42.340 1.00 24.36 C ATOM 955 O LEU A 198 -22.363 -12.691 43.102 1.00 29.79 O ATOM 956 CB LEU A 198 -22.868 -14.917 41.190 1.00 23.88 C ATOM 957 CG LEU A 198 -23.521 -15.494 39.941 1.00 28.09 C ATOM 958 CD1 LEU A 198 -24.455 -16.644 40.342 1.00 26.64 C ATOM 959 CD2 LEU A 198 -24.303 -14.424 39.217 1.00 28.02 C ATOM 960 N GLY A 199 -20.271 -13.454 42.662 1.00 22.62 N ATOM 961 CA GLY A 199 -19.848 -13.397 44.049 1.00 23.13 C ATOM 962 C GLY A 199 -19.902 -14.822 44.593 1.00 23.38 C ATOM 963 O GLY A 199 -20.288 -15.752 43.878 1.00 24.58 O ATOM 964 N PRO A 200 -19.472 -15.043 45.844 1.00 23.97 N ATOM 965 CA PRO A 200 -19.474 -16.400 46.391 1.00 22.88 C ATOM 966 C PRO A 200 -20.783 -16.828 47.061 1.00 24.03 C ATOM 967 O PRO A 200 -21.670 -16.001 47.338 1.00 24.37 O ATOM 968 CB PRO A 200 -18.405 -16.264 47.498 1.00 22.20 C ATOM 969 CG PRO A 200 -18.568 -14.809 47.995 1.00 24.44 C ATOM 970 CD PRO A 200 -18.869 -14.017 46.728 1.00 23.24 C ATOM 971 N ASP A 201 -20.854 -18.145 47.322 1.00 23.24 N ATOM 972 CA ASP A 201 -21.742 -18.761 48.304 1.00 23.00 C ATOM 973 C ASP A 201 -23.206 -18.657 47.847 1.00 25.65 C ATOM 974 O ASP A 201 -24.036 -17.947 48.474 1.00 25.81 O ATOM 975 CB ASP A 201 -21.477 -18.152 49.681 1.00 23.92 C ATOM 976 CG ASP A 201 -22.359 -18.715 50.778 1.00 30.85 C ATOM 977 OD1 ASP A 201 -22.866 -19.842 50.606 1.00 28.12 O ATOM 978 OD2 ASP A 201 -22.592 -18.001 51.767 1.00 39.64 O1- ATOM 979 N THR A 202 -23.503 -19.284 46.697 1.00 25.17 N ATOM 980 CA THR A 202 -24.835 -19.160 46.108 1.00 23.33 C ATOM 981 C THR A 202 -25.610 -20.465 46.321 1.00 22.55 C ATOM 982 O THR A 202 -25.145 -21.541 45.927 1.00 23.81 O ATOM 983 CB THR A 202 -24.757 -18.900 44.601 1.00 23.10 C ATOM 984 OG1 THR A 202 -23.922 -17.754 44.392 1.00 25.41 O ATOM 985 CG2 THR A 202 -26.140 -18.652 44.015 1.00 21.21 C ATOM 986 N PRO A 203 -26.788 -20.423 46.990 1.00 23.44 N ATOM 987 CA PRO A 203 -27.597 -21.639 47.163 1.00 21.77 C ATOM 988 C PRO A 203 -27.907 -22.229 45.785 1.00 21.43 C ATOM 989 O PRO A 203 -28.240 -21.505 44.840 1.00 21.94 O ATOM 990 CB PRO A 203 -28.887 -21.141 47.841 1.00 25.23 C ATOM 991 CG PRO A 203 -28.456 -19.826 48.512 1.00 23.14 C ATOM 992 CD PRO A 203 -27.407 -19.228 47.587 1.00 24.31 C ATOM 993 N LEU A 204 -27.866 -23.566 45.696 1.00 21.90 N ATOM 994 CA LEU A 204 -28.005 -24.246 44.410 1.00 20.93 C ATOM 995 C LEU A 204 -29.370 -24.022 43.760 1.00 21.81 C ATOM 996 O LEU A 204 -29.450 -23.876 42.540 1.00 22.70 O ATOM 997 CB LEU A 204 -27.718 -25.738 44.602 1.00 20.56 C ATOM 998 CG LEU A 204 -26.301 -26.007 45.113 1.00 24.34 C ATOM 999 CD1 LEU A 204 -26.029 -27.507 45.142 1.00 26.76 C ATOM 1000 CD2 LEU A 204 -25.266 -25.330 44.178 1.00 25.44 C ATOM 1001 N PRO A 205 -30.512 -24.048 44.494 1.00 23.51 N ATOM 1002 CA PRO A 205 -31.791 -23.774 43.831 1.00 24.36 C ATOM 1003 C PRO A 205 -31.803 -22.403 43.136 1.00 25.53 C ATOM 1004 O PRO A 205 -32.242 -22.282 42.016 1.00 21.90 O ATOM 1005 CB PRO A 205 -32.818 -23.865 44.979 1.00 25.16 C ATOM 1006 CG PRO A 205 -32.128 -24.741 46.024 1.00 25.36 C ATOM 1007 CD PRO A 205 -30.658 -24.330 45.929 1.00 23.20 C ATOM 1008 N ASP A 206 -31.285 -21.375 43.800 1.00 23.72 N ATOM 1009 CA ASP A 206 -31.291 -20.019 43.256 1.00 27.03 C ATOM 1010 C ASP A 206 -30.330 -19.919 42.067 1.00 24.24 C ATOM 1011 O ASP A 206 -30.623 -19.256 41.070 1.00 22.86 O ATOM 1012 CB ASP A 206 -30.875 -19.039 44.366 1.00 24.13 C ATOM 1013 CG ASP A 206 -31.835 -19.067 45.555 1.00 32.52 C ATOM 1014 OD1 ASP A 206 -31.739 -20.021 46.366 1.00 33.10 O ATOM 1015 OD2 ASP A 206 -32.693 -18.130 45.664 1.00 29.27 O1- ATOM 1016 N LEU A 207 -29.191 -20.603 42.142 1.00 20.31 N ATOM 1017 CA LEU A 207 -28.271 -20.629 41.019 1.00 20.66 C ATOM 1018 C LEU A 207 -28.878 -21.293 39.776 1.00 21.51 C ATOM 1019 O LEU A 207 -28.705 -20.791 38.676 1.00 21.29 O ATOM 1020 CB LEU A 207 -27.006 -21.351 41.502 1.00 20.05 C ATOM 1021 CG LEU A 207 -25.905 -21.526 40.454 1.00 21.88 C ATOM 1022 CD1 LEU A 207 -25.432 -20.185 39.913 1.00 21.97 C ATOM 1023 CD2 LEU A 207 -24.710 -22.226 41.120 1.00 24.34 C ATOM 1024 N ARG A 208 -29.565 -22.435 39.955 1.00 22.64 N ATOM 1025 CA ARG A 208 -30.199 -23.135 38.840 1.00 21.12 C ATOM 1026 C ARG A 208 -31.285 -22.254 38.209 1.00 21.40 C ATOM 1027 O ARG A 208 -31.418 -22.207 36.986 1.00 23.30 O ATOM 1028 CB ARG A 208 -30.806 -24.459 39.353 1.00 21.76 C ATOM 1029 CG ARG A 208 -31.382 -25.294 38.219 1.00 22.28 C ATOM 1030 CD ARG A 208 -31.972 -26.592 38.771 1.00 25.90 C ATOM 1031 NE ARG A 208 -33.287 -26.283 39.333 1.00 29.10 N ATOM 1032 CZ ARG A 208 -34.114 -27.216 39.798 1.00 35.90 C ATOM 1033 NH1 ARG A 208 -33.704 -28.477 39.813 1.00 33.46 N ATOM 1034 NH2 ARG A 208 -35.324 -26.885 40.241 1.00 31.40 N ATOM 1035 N ALA A 209 -32.105 -21.623 39.056 1.00 21.61 N ATOM 1036 CA ALA A 209 -33.178 -20.764 38.562 1.00 20.82 C ATOM 1037 C ALA A 209 -32.604 -19.659 37.673 1.00 21.86 C ATOM 1038 O ALA A 209 -33.144 -19.361 36.603 1.00 23.91 O ATOM 1039 CB ALA A 209 -34.004 -20.203 39.715 1.00 23.27 C ATOM 1040 N LEU A 210 -31.521 -19.038 38.130 1.00 21.88 N ATOM 1041 CA LEU A 210 -30.987 -17.931 37.341 1.00 23.58 C ATOM 1042 C LEU A 210 -30.334 -18.455 36.059 1.00 20.26 C ATOM 1043 O LEU A 210 -30.483 -17.859 34.993 1.00 24.74 O ATOM 1044 CB LEU A 210 -30.002 -17.121 38.189 1.00 24.47 C ATOM 1045 CG LEU A 210 -29.347 -15.949 37.431 1.00 22.45 C ATOM 1046 CD1 LEU A 210 -30.398 -14.915 37.047 1.00 23.68 C ATOM 1047 CD2 LEU A 210 -28.320 -15.289 38.373 1.00 26.19 C ATOM 1048 N ALA A 211 -29.586 -19.543 36.145 1.00 20.46 N ATOM 1049 CA ALA A 211 -28.951 -20.095 34.951 1.00 20.90 C ATOM 1050 C ALA A 211 -30.008 -20.434 33.889 1.00 24.86 C ATOM 1051 O ALA A 211 -29.826 -20.188 32.703 1.00 23.41 O ATOM 1052 CB ALA A 211 -28.147 -21.326 35.283 1.00 20.18 C ATOM 1053 N ARG A 212 -31.135 -20.987 34.332 1.00 22.35 N ATOM 1054 CA ARG A 212 -32.169 -21.341 33.365 1.00 24.05 C ATOM 1055 C ARG A 212 -32.851 -20.097 32.807 1.00 22.36 C ATOM 1056 O ARG A 212 -33.073 -20.010 31.592 1.00 24.52 O ATOM 1057 CB ARG A 212 -33.204 -22.266 34.031 1.00 25.75 C ATOM 1058 CG ARG A 212 -32.636 -23.667 34.176 1.00 26.86 C ATOM 1059 CD ARG A 212 -33.616 -24.571 34.904 1.00 25.68 C ATOM 1060 NE ARG A 212 -33.100 -25.942 34.925 1.00 26.95 N ATOM 1061 CZ ARG A 212 -33.659 -26.914 35.663 1.00 28.16 C ATOM 1062 NH1 ARG A 212 -34.699 -26.623 36.439 1.00 26.98 N ATOM 1063 NH2 ARG A 212 -33.183 -28.152 35.607 1.00 28.49 N ATOM 1064 N ARG A 213 -33.107 -19.115 33.661 1.00 22.59 N ATOM 1065 CA ARG A 213 -33.793 -17.914 33.182 1.00 25.99 C ATOM 1066 C ARG A 213 -32.925 -17.173 32.166 1.00 29.83 C ATOM 1067 O ARG A 213 -33.440 -16.661 31.163 1.00 28.31 O ATOM 1068 CB ARG A 213 -34.171 -16.992 34.339 1.00 27.84 C ATOM 1069 CG ARG A 213 -35.035 -15.813 33.902 1.00 33.59 C ATOM 1070 CD ARG A 213 -35.547 -15.062 35.108 1.00 33.53 C ATOM 1071 NE ARG A 213 -34.487 -14.423 35.902 1.00 31.26 N ATOM 1072 CZ ARG A 213 -33.805 -13.319 35.591 1.00 35.48 C ATOM 1073 NH1 ARG A 213 -33.966 -12.720 34.420 1.00 32.72 N ATOM 1074 NH2 ARG A 213 -32.957 -12.821 36.480 1.00 32.79 N ATOM 1075 N LEU A 214 -31.620 -17.066 32.438 1.00 25.16 N ATOM 1076 CA LEU A 214 -30.752 -16.367 31.488 1.00 26.47 C ATOM 1077 C LEU A 214 -30.306 -17.236 30.327 1.00 24.60 C ATOM 1078 O LEU A 214 -29.608 -16.713 29.459 1.00 26.20 O ATOM 1079 CB LEU A 214 -29.506 -15.846 32.211 1.00 24.98 C ATOM 1080 CG LEU A 214 -29.777 -14.949 33.404 1.00 25.55 C ATOM 1081 CD1 LEU A 214 -28.446 -14.458 33.990 1.00 28.18 C ATOM 1082 CD2 LEU A 214 -30.663 -13.779 33.015 1.00 31.13 C ATOM 1083 N GLY A 215 -30.643 -18.541 30.317 1.00 25.36 N ATOM 1084 CA GLY A 215 -30.210 -19.402 29.227 1.00 27.53 C ATOM 1085 C GLY A 215 -28.699 -19.625 29.267 1.00 27.88 C ATOM 1086 O GLY A 215 -28.052 -19.725 28.230 1.00 27.16 O ATOM 1087 N ALA A 216 -28.127 -19.690 30.477 1.00 25.30 N ATOM 1088 CA ALA A 216 -26.696 -19.854 30.651 1.00 23.55 C ATOM 1089 C ALA A 216 -26.237 -21.151 30.004 1.00 27.48 C ATOM 1090 O ALA A 216 -26.867 -22.212 30.091 1.00 27.76 O ATOM 1091 CB ALA A 216 -26.330 -19.764 32.124 1.00 21.20 C ATOM 1092 N GLY A 217 -25.120 -21.074 29.292 1.00 28.15 N ATOM 1093 CA GLY A 217 -24.589 -22.301 28.727 1.00 27.75 C ATOM 1094 C GLY A 217 -23.791 -23.125 29.733 1.00 28.48 C ATOM 1095 O GLY A 217 -23.549 -24.310 29.511 1.00 27.50 O ATOM 1096 N ALA A 218 -23.384 -22.519 30.842 1.00 25.14 N ATOM 1097 CA ALA A 218 -22.589 -23.292 31.788 1.00 23.73 C ATOM 1098 C ALA A 218 -22.635 -22.608 33.144 1.00 24.30 C ATOM 1099 O ALA A 218 -22.934 -21.414 33.236 1.00 20.50 O ATOM 1100 CB ALA A 218 -21.161 -23.472 31.322 1.00 26.08 C ATOM 1101 N VAL A 219 -22.335 -23.410 34.164 1.00 21.64 N ATOM 1102 CA VAL A 219 -22.104 -22.882 35.505 1.00 23.90 C ATOM 1103 C VAL A 219 -20.713 -23.339 35.916 1.00 22.26 C ATOM 1104 O VAL A 219 -20.340 -24.496 35.661 1.00 25.24 O ATOM 1105 CB VAL A 219 -23.163 -23.357 36.519 1.00 23.58 C ATOM 1106 CG1 VAL A 219 -22.651 -23.204 37.962 1.00 25.35 C ATOM 1107 CG2 VAL A 219 -24.484 -22.616 36.309 1.00 23.76 C ATOM 1108 N VAL A 220 -19.929 -22.422 36.516 1.00 22.70 N ATOM 1109 CA VAL A 220 -18.575 -22.780 36.947 1.00 20.32 C ATOM 1110 C VAL A 220 -18.509 -22.505 38.437 1.00 21.75 C ATOM 1111 O VAL A 220 -18.869 -21.404 38.887 1.00 21.76 O ATOM 1112 CB VAL A 220 -17.507 -21.895 36.251 1.00 22.90 C ATOM 1113 CG1 VAL A 220 -16.103 -22.210 36.778 1.00 24.95 C ATOM 1114 CG2 VAL A 220 -17.558 -22.109 34.767 1.00 22.80 C ATOM 1115 N LEU A 221 -18.052 -23.522 39.192 1.00 21.76 N ATOM 1116 CA LEU A 221 -17.885 -23.372 40.623 1.00 22.33 C ATOM 1117 C LEU A 221 -16.418 -23.524 41.013 1.00 22.60 C ATOM 1118 O LEU A 221 -15.729 -24.415 40.534 1.00 22.56 O ATOM 1119 CB LEU A 221 -18.713 -24.466 41.303 1.00 22.66 C ATOM 1120 CG LEU A 221 -20.207 -24.302 41.038 1.00 27.46 C ATOM 1121 CD1 LEU A 221 -20.916 -25.614 41.335 1.00 31.50 C ATOM 1122 CD2 LEU A 221 -20.788 -23.206 41.916 1.00 29.21 C ATOM 1123 N SER A 222 -16.001 -22.667 41.942 1.00 23.07 N ATOM 1124 CA SER A 222 -14.692 -22.739 42.571 1.00 24.46 C ATOM 1125 C SER A 222 -14.850 -23.209 44.009 1.00 23.69 C ATOM 1126 O SER A 222 -15.523 -22.563 44.808 1.00 23.25 O ATOM 1127 CB SER A 222 -14.043 -21.380 42.531 1.00 27.53 C ATOM 1128 OG SER A 222 -12.849 -21.402 43.304 1.00 27.12 O ATOM 1129 N ALA A 223 -14.196 -24.319 44.353 1.00 23.51 N ATOM 1130 CA ALA A 223 -14.202 -24.857 45.700 1.00 24.17 C ATOM 1131 C ALA A 223 -12.783 -24.776 46.255 1.00 27.29 C ATOM 1132 O ALA A 223 -11.889 -25.486 45.793 1.00 28.13 O ATOM 1133 CB ALA A 223 -14.634 -26.314 45.729 1.00 21.36 C ATOM 1134 N VAL A 224 -12.604 -23.916 47.258 1.00 26.89 N ATOM 1135 CA VAL A 224 -11.292 -23.769 47.877 1.00 28.68 C ATOM 1136 C VAL A 224 -11.113 -24.775 49.010 1.00 29.53 C ATOM 1137 O VAL A 224 -10.054 -25.383 49.158 1.00 29.17 O ATOM 1138 CB VAL A 224 -11.118 -22.317 48.341 1.00 25.72 C ATOM 1139 CG1 VAL A 224 -9.773 -22.158 49.054 1.00 29.54 C ATOM 1140 CG2 VAL A 224 -11.164 -21.435 47.115 1.00 25.39 C ATOM 1141 N ALEU A 225 -12.152 -24.928 49.830 0.50 30.06 N ATOM 1142 N BLEU A 225 -12.172 -24.916 49.815 0.50 29.75 N ATOM 1143 CA ALEU A 225 -12.138 -25.953 50.861 0.50 31.25 C ATOM 1144 CA BLEU A 225 -12.256 -25.910 50.876 0.50 31.11 C ATOM 1145 C ALEU A 225 -13.008 -27.111 50.394 0.50 28.96 C ATOM 1146 C BLEU A 225 -12.985 -27.132 50.332 0.50 29.09 C ATOM 1147 O ALEU A 225 -13.889 -26.939 49.562 0.50 28.28 O ATOM 1148 O BLEU A 225 -13.764 -27.025 49.391 0.50 29.77 O ATOM 1149 CB ALEU A 225 -12.658 -25.377 52.185 0.50 31.67 C ATOM 1150 CB BLEU A 225 -13.058 -25.327 52.048 0.50 28.63 C ATOM 1151 CG ALEU A 225 -11.597 -24.710 53.064 0.50 28.92 C ATOM 1152 CG BLEU A 225 -12.497 -24.040 52.653 0.50 29.12 C ATOM 1153 CD1ALEU A 225 -10.924 -23.569 52.327 0.50 27.31 C ATOM 1154 CD1BLEU A 225 -13.605 -23.291 53.351 0.50 27.13 C ATOM 1155 CD2ALEU A 225 -12.217 -24.209 54.355 0.50 27.40 C ATOM 1156 CD2BLEU A 225 -11.375 -24.333 53.641 0.50 23.91 C ATOM 1157 N SER A 226 -12.728 -28.298 50.938 1.00 29.48 N ATOM 1158 CA SER A 226 -13.448 -29.498 50.542 1.00 28.70 C ATOM 1159 C SER A 226 -14.758 -29.699 51.315 1.00 26.97 C ATOM 1160 O SER A 226 -15.662 -30.364 50.800 1.00 29.15 O ATOM 1161 CB SER A 226 -12.515 -30.693 50.683 1.00 35.46 C ATOM 1162 OG SER A 226 -12.251 -30.874 52.064 1.00 33.25 O ATOM 1163 N GLU A 227 -14.876 -29.135 52.518 1.00 24.68 N ATOM 1164 CA GLU A 227 -16.018 -29.363 53.387 1.00 30.23 C ATOM 1165 C GLU A 227 -17.322 -28.905 52.735 1.00 30.93 C ATOM 1166 O GLU A 227 -18.311 -29.623 52.818 1.00 27.97 O ATOM 1167 CB GLU A 227 -15.841 -28.664 54.745 1.00 37.01 C ATOM 1168 CG GLU A 227 -14.763 -29.333 55.607 1.00 47.13 C ATOM 1169 CD GLU A 227 -13.304 -29.054 55.243 1.00 57.01 C ATOM 1170 OE1 GLU A 227 -13.041 -28.134 54.409 1.00 40.36 O ATOM 1171 OE2 GLU A 227 -12.418 -29.784 55.761 1.00 62.88 O1- ATOM 1172 N PRO A 228 -17.413 -27.709 52.087 1.00 27.22 N ATOM 1173 CA PRO A 228 -18.683 -27.332 51.453 1.00 26.76 C ATOM 1174 C PRO A 228 -19.171 -28.340 50.410 1.00 28.06 C ATOM 1175 O PRO A 228 -20.377 -28.523 50.240 1.00 26.22 O ATOM 1176 CB PRO A 228 -18.380 -25.966 50.846 1.00 26.96 C ATOM 1177 CG PRO A 228 -17.309 -25.401 51.808 1.00 25.27 C ATOM 1178 CD PRO A 228 -16.412 -26.615 52.068 1.00 26.58 C ATOM 1179 N LEU A 229 -18.236 -28.971 49.695 1.00 23.24 N ATOM 1180 CA LEU A 229 -18.608 -29.964 48.703 1.00 27.15 C ATOM 1181 C LEU A 229 -19.079 -31.228 49.417 1.00 29.19 C ATOM 1182 O LEU A 229 -20.061 -31.838 48.983 1.00 26.78 O ATOM 1183 CB LEU A 229 -17.433 -30.303 47.765 1.00 25.79 C ATOM 1184 CG LEU A 229 -16.979 -29.162 46.864 1.00 27.62 C ATOM 1185 CD1 LEU A 229 -15.786 -29.626 46.026 1.00 26.38 C ATOM 1186 CD2 LEU A 229 -18.133 -28.708 45.982 1.00 25.59 C ATOM 1187 N ARG A 230 -18.373 -31.619 50.487 1.00 28.07 N ATOM 1188 CA ARG A 230 -18.745 -32.824 51.221 1.00 31.96 C ATOM 1189 C ARG A 230 -20.163 -32.718 51.805 1.00 32.25 C ATOM 1190 O ARG A 230 -20.840 -33.735 51.959 1.00 35.61 O ATOM 1191 CB ARG A 230 -17.697 -33.118 52.308 1.00 35.41 C ATOM 1192 CG ARG A 230 -17.809 -34.515 52.910 1.00 47.15 C ATOM 1193 CD ARG A 230 -17.570 -34.601 54.416 1.00 55.44 C ATOM 1194 NE ARG A 230 -16.228 -34.195 54.828 1.00 74.87 N ATOM 1195 CZ ARG A 230 -15.933 -33.115 55.555 1.00 78.70 C ATOM 1196 NH1 ARG A 230 -16.890 -32.403 56.130 1.00 79.86 N ATOM 1197 NH2 ARG A 230 -14.670 -32.756 55.711 1.00 72.47 N ATOM 1198 N ALA A 231 -20.606 -31.500 52.180 1.00 32.11 N ATOM 1199 CA ALA A 231 -21.938 -31.247 52.707 1.00 29.48 C ATOM 1200 C ALA A 231 -23.025 -31.487 51.663 1.00 31.37 C ATOM 1201 O ALA A 231 -24.203 -31.617 52.037 1.00 32.61 O ATOM 1202 CB ALA A 231 -22.045 -29.818 53.258 1.00 28.09 C ATOM 1203 N LEU A 232 -22.673 -31.460 50.366 1.00 27.43 N ATOM 1204 CA LEU A 232 -23.723 -31.519 49.346 1.00 25.60 C ATOM 1205 C LEU A 232 -24.141 -32.965 49.109 1.00 27.54 C ATOM 1206 O LEU A 232 -23.318 -33.883 49.159 1.00 27.41 O ATOM 1207 CB LEU A 232 -23.236 -30.917 48.019 1.00 25.56 C ATOM 1208 CG LEU A 232 -22.927 -29.419 48.090 1.00 28.15 C ATOM 1209 CD1 LEU A 232 -22.297 -28.984 46.762 1.00 26.56 C ATOM 1210 CD2 LEU A 232 -24.199 -28.630 48.370 1.00 30.15 C ATOM 1211 N PRO A 233 -25.438 -33.221 48.813 1.00 29.76 N ATOM 1212 CA PRO A 233 -25.860 -34.593 48.523 1.00 32.14 C ATOM 1213 C PRO A 233 -25.322 -35.072 47.176 1.00 29.63 C ATOM 1214 O PRO A 233 -25.004 -34.281 46.268 1.00 29.68 O ATOM 1215 CB PRO A 233 -27.400 -34.467 48.535 1.00 31.90 C ATOM 1216 CG PRO A 233 -27.699 -33.052 48.134 1.00 30.84 C ATOM 1217 CD PRO A 233 -26.541 -32.241 48.739 1.00 30.84 C ATOM 1218 N ASP A 234 -25.255 -36.395 47.015 1.00 30.73 N ATOM 1219 CA ASP A 234 -24.932 -36.929 45.698 1.00 29.24 C ATOM 1220 C ASP A 234 -25.779 -36.278 44.607 1.00 28.95 C ATOM 1221 O ASP A 234 -26.982 -36.055 44.794 1.00 29.42 O ATOM 1222 CB ASP A 234 -25.104 -38.445 45.602 1.00 32.54 C ATOM 1223 CG ASP A 234 -24.123 -39.249 46.438 1.00 39.75 C ATOM 1224 OD1 ASP A 234 -23.330 -38.648 47.239 1.00 35.17 O ATOM 1225 OD2 ASP A 234 -24.161 -40.483 46.287 1.00 37.29 O1- ATOM 1226 N GLY A 235 -25.137 -36.011 43.459 1.00 26.07 N ATOM 1227 CA GLY A 235 -25.791 -35.464 42.284 1.00 30.65 C ATOM 1228 C GLY A 235 -26.191 -33.986 42.397 1.00 27.90 C ATOM 1229 O GLY A 235 -26.869 -33.486 41.505 1.00 31.54 O ATOM 1230 N ALA A 236 -25.753 -33.280 43.448 1.00 26.51 N ATOM 1231 CA ALA A 236 -26.294 -31.951 43.758 1.00 25.08 C ATOM 1232 C ALA A 236 -26.059 -30.955 42.616 1.00 25.41 C ATOM 1233 O ALA A 236 -26.831 -29.995 42.473 1.00 29.17 O ATOM 1234 CB ALA A 236 -25.645 -31.422 45.018 1.00 25.54 C ATOM 1235 N LEU A 237 -24.969 -31.142 41.849 1.00 23.54 N ATOM 1236 CA LEU A 237 -24.573 -30.137 40.862 1.00 25.71 C ATOM 1237 C LEU A 237 -25.032 -30.450 39.435 1.00 28.66 C ATOM 1238 O LEU A 237 -24.862 -29.628 38.541 1.00 26.99 O ATOM 1239 CB LEU A 237 -23.043 -29.963 40.898 1.00 24.75 C ATOM 1240 CG LEU A 237 -22.441 -29.527 42.223 1.00 26.86 C ATOM 1241 CD1 LEU A 237 -20.908 -29.398 42.092 1.00 27.30 C ATOM 1242 CD2 LEU A 237 -23.062 -28.210 42.713 1.00 25.56 C ATOM 1243 N ALYS A 238 -25.654 -31.612 39.199 0.50 31.57 N ATOM 1244 N BLYS A 238 -25.674 -31.606 39.217 0.50 31.20 N ATOM 1245 CA ALYS A 238 -25.803 -32.059 37.818 0.50 32.83 C ATOM 1246 CA BLYS A 238 -25.840 -32.099 37.855 0.50 32.63 C ATOM 1247 C ALYS A 238 -26.827 -31.230 37.039 0.50 30.37 C ATOM 1248 C BLYS A 238 -26.841 -31.266 37.051 0.50 30.13 C ATOM 1249 O ALYS A 238 -26.698 -31.105 35.828 0.50 33.79 O ATOM 1250 O BLYS A 238 -26.707 -31.174 35.839 0.50 33.60 O ATOM 1251 CB ALYS A 238 -26.181 -33.540 37.754 0.50 36.64 C ATOM 1252 CB BLYS A 238 -26.272 -33.568 37.860 0.50 35.37 C ATOM 1253 CG ALYS A 238 -27.562 -33.858 38.295 0.50 44.74 C ATOM 1254 CG BLYS A 238 -27.769 -33.818 37.964 0.50 42.86 C ATOM 1255 CD ALYS A 238 -27.908 -35.343 38.369 0.50 47.03 C ATOM 1256 CD BLYS A 238 -28.095 -35.044 38.833 0.50 46.39 C ATOM 1257 CE ALYS A 238 -29.240 -35.519 39.068 0.50 44.84 C ATOM 1258 CE BLYS A 238 -27.276 -36.270 38.491 0.50 41.93 C ATOM 1259 NZ ALYS A 238 -30.198 -34.476 38.615 0.50 38.62 N ATOM 1260 NZ BLYS A 238 -27.706 -37.455 39.276 0.50 43.04 N ATOM 1261 N ASP A 239 -27.820 -30.644 37.718 1.00 29.17 N ATOM 1262 CA ASP A 239 -28.925 -29.978 37.025 1.00 33.51 C ATOM 1263 C ASP A 239 -28.716 -28.470 36.863 1.00 32.04 C ATOM 1264 O ASP A 239 -29.614 -27.789 36.379 1.00 29.20 O ATOM 1265 CB ASP A 239 -30.222 -30.195 37.824 1.00 40.05 C ATOM 1266 CG ASP A 239 -30.200 -29.624 39.252 1.00 48.68 C ATOM 1267 OD1 ASP A 239 -29.194 -28.947 39.647 1.00 55.18 O ATOM 1268 OD2 ASP A 239 -31.195 -29.823 39.997 1.00 53.18 O1- ATOM 1269 N LEU A 240 -27.537 -27.927 37.234 1.00 28.50 N ATOM 1270 CA LEU A 240 -27.408 -26.473 37.314 1.00 23.80 C ATOM 1271 C LEU A 240 -27.407 -25.805 35.938 1.00 27.73 C ATOM 1272 O LEU A 240 -27.892 -24.682 35.809 1.00 30.44 O ATOM 1273 CB LEU A 240 -26.100 -26.136 38.048 1.00 24.71 C ATOM 1274 CG LEU A 240 -26.116 -26.529 39.509 1.00 27.21 C ATOM 1275 CD1 LEU A 240 -24.830 -26.065 40.187 1.00 28.45 C ATOM 1276 CD2 LEU A 240 -27.322 -25.880 40.186 1.00 31.41 C ATOM 1277 N ALA A 241 -26.856 -26.466 34.923 1.00 25.37 N ATOM 1278 CA ALA A 241 -26.765 -25.907 33.583 1.00 28.60 C ATOM 1279 C ALA A 241 -26.420 -27.018 32.589 1.00 31.31 C ATOM 1280 O ALA A 241 -26.118 -28.141 32.982 1.00 27.00 O ATOM 1281 CB ALA A 241 -25.690 -24.817 33.519 1.00 25.79 C ATOM 1282 N PRO A 242 -26.420 -26.733 31.267 1.00 31.89 N ATOM 1283 CA PRO A 242 -26.019 -27.743 30.289 1.00 34.01 C ATOM 1284 C PRO A 242 -24.619 -28.283 30.541 1.00 33.73 C ATOM 1285 O PRO A 242 -24.384 -29.479 30.379 1.00 36.06 O ATOM 1286 CB PRO A 242 -26.119 -26.989 28.957 1.00 36.04 C ATOM 1287 CG PRO A 242 -27.174 -25.945 29.222 1.00 32.44 C ATOM 1288 CD PRO A 242 -26.899 -25.486 30.646 1.00 33.45 C ATOM 1289 N ARG A 243 -23.688 -27.420 30.982 1.00 28.18 N ATOM 1290 CA ARG A 243 -22.382 -27.884 31.435 1.00 30.00 C ATOM 1291 C ARG A 243 -22.165 -27.313 32.838 1.00 28.38 C ATOM 1292 O ARG A 243 -22.477 -26.160 33.093 1.00 28.98 O ATOM 1293 CB ARG A 243 -21.237 -27.340 30.560 1.00 29.86 C ATOM 1294 CG ARG A 243 -21.381 -27.583 29.061 1.00 34.99 C ATOM 1295 CD ARG A 243 -21.064 -29.004 28.650 1.00 38.90 C ATOM 1296 NE ARG A 243 -19.681 -29.428 28.862 1.00 34.21 N ATOM 1297 CZ ARG A 243 -18.659 -29.172 28.051 1.00 35.69 C ATOM 1298 NH1 ARG A 243 -18.798 -28.393 26.994 1.00 35.08 N ATOM 1299 NH2 ARG A 243 -17.476 -29.687 28.317 1.00 33.06 N ATOM 1300 N VAL A 244 -21.638 -28.144 33.737 1.00 23.29 N ATOM 1301 CA VAL A 244 -21.325 -27.701 35.087 1.00 25.72 C ATOM 1302 C VAL A 244 -19.879 -28.070 35.368 1.00 23.95 C ATOM 1303 O VAL A 244 -19.521 -29.237 35.336 1.00 27.84 O ATOM 1304 CB VAL A 244 -22.273 -28.320 36.138 1.00 24.98 C ATOM 1305 CG1 VAL A 244 -21.902 -27.816 37.527 1.00 27.34 C ATOM 1306 CG2 VAL A 244 -23.725 -28.002 35.790 1.00 27.23 C ATOM 1307 N PHE A 245 -19.055 -27.064 35.665 1.00 23.38 N ATOM 1308 CA PHE A 245 -17.634 -27.259 35.864 1.00 23.36 C ATOM 1309 C PHE A 245 -17.281 -26.958 37.315 1.00 25.67 C ATOM 1310 O PHE A 245 -17.705 -25.941 37.862 1.00 25.79 O ATOM 1311 CB PHE A 245 -16.805 -26.330 34.960 1.00 26.95 C ATOM 1312 CG PHE A 245 -16.984 -26.601 33.480 1.00 28.31 C ATOM 1313 CD1 PHE A 245 -16.395 -27.703 32.882 1.00 35.15 C ATOM 1314 CD2 PHE A 245 -17.756 -25.767 32.691 1.00 37.56 C ATOM 1315 CE1 PHE A 245 -16.556 -27.955 31.518 1.00 35.94 C ATOM 1316 CE2 PHE A 245 -17.923 -26.018 31.335 1.00 41.54 C ATOM 1317 CZ PHE A 245 -17.318 -27.113 30.750 1.00 41.01 C ATOM 1318 N LEU A 246 -16.434 -27.809 37.894 1.00 22.95 N ATOM 1319 CA LEU A 246 -16.033 -27.660 39.279 1.00 25.49 C ATOM 1320 C LEU A 246 -14.516 -27.755 39.316 1.00 26.48 C ATOM 1321 O LEU A 246 -13.940 -28.667 38.741 1.00 26.79 O ATOM 1322 CB LEU A 246 -16.651 -28.804 40.104 1.00 23.46 C ATOM 1323 CG LEU A 246 -16.182 -28.871 41.559 1.00 25.53 C ATOM 1324 CD1 LEU A 246 -16.617 -27.611 42.349 1.00 24.87 C ATOM 1325 CD2 LEU A 246 -16.709 -30.134 42.222 1.00 23.86 C ATOM 1326 N GLY A 247 -13.877 -26.779 39.981 1.00 24.23 N ATOM 1327 CA GLY A 247 -12.442 -26.883 40.212 1.00 24.70 C ATOM 1328 C GLY A 247 -12.067 -26.179 41.511 1.00 26.78 C ATOM 1329 O GLY A 247 -12.950 -25.794 42.292 1.00 27.29 O ATOM 1330 N GLY A 248 -10.752 -26.003 41.711 1.00 26.17 N ATOM 1331 CA GLY A 248 -10.199 -25.418 42.922 1.00 26.34 C ATOM 1332 C GLY A 248 -9.541 -26.474 43.806 1.00 28.75 C ATOM 1333 O GLY A 248 -9.728 -27.678 43.631 1.00 27.12 O ATOM 1334 N GLN A 249 -8.831 -25.999 44.831 1.00 28.06 N ATOM 1335 CA GLN A 249 -8.093 -26.885 45.719 1.00 31.13 C ATOM 1336 C GLN A 249 -9.012 -27.835 46.469 1.00 28.76 C ATOM 1337 O GLN A 249 -8.606 -28.937 46.818 1.00 30.03 O ATOM 1338 CB GLN A 249 -7.283 -26.077 46.739 1.00 36.33 C ATOM 1339 CG GLN A 249 -6.179 -25.287 46.061 1.00 44.00 C ATOM 1340 CD GLN A 249 -5.365 -26.186 45.155 1.00 55.69 C ATOM 1341 OE1 GLN A 249 -5.375 -26.064 43.922 1.00 63.21 O ATOM 1342 NE2 GLN A 249 -4.655 -27.112 45.777 1.00 48.95 N ATOM 1343 N GLY A 250 -10.248 -27.412 46.740 1.00 26.22 N ATOM 1344 CA GLY A 250 -11.149 -28.253 47.492 1.00 24.92 C ATOM 1345 C GLY A 250 -11.803 -29.328 46.633 1.00 28.04 C ATOM 1346 O GLY A 250 -12.485 -30.199 47.174 1.00 30.11 O ATOM 1347 N ALA A 251 -11.627 -29.252 45.307 1.00 26.41 N ATOM 1348 CA ALA A 251 -12.323 -30.170 44.410 1.00 27.83 C ATOM 1349 C ALA A 251 -11.327 -31.193 43.889 1.00 32.75 C ATOM 1350 O ALA A 251 -10.123 -30.966 43.853 1.00 29.55 O ATOM 1351 CB ALA A 251 -12.969 -29.437 43.247 1.00 30.21 C ATOM 1352 N GLY A 252 -11.872 -32.323 43.468 1.00 33.70 N ATOM 1353 CA GLY A 252 -11.071 -33.363 42.858 1.00 30.52 C ATOM 1354 C GLY A 252 -11.990 -34.175 41.962 1.00 31.66 C ATOM 1355 O GLY A 252 -13.216 -33.998 41.973 1.00 30.67 O ATOM 1356 N PRO A 253 -11.429 -35.042 41.109 1.00 31.35 N ATOM 1357 CA PRO A 253 -12.252 -35.794 40.159 1.00 31.55 C ATOM 1358 C PRO A 253 -13.324 -36.681 40.792 1.00 32.68 C ATOM 1359 O PRO A 253 -14.432 -36.756 40.259 1.00 31.88 O ATOM 1360 CB PRO A 253 -11.223 -36.590 39.336 1.00 35.12 C ATOM 1361 CG PRO A 253 -9.989 -36.610 40.220 1.00 35.17 C ATOM 1362 CD PRO A 253 -9.986 -35.293 40.965 1.00 37.27 C ATOM 1363 N GLU A 254 -13.032 -37.302 41.948 1.00 32.32 N ATOM 1364 CA GLU A 254 -14.013 -38.202 42.546 1.00 36.47 C ATOM 1365 C GLU A 254 -15.188 -37.403 43.114 1.00 35.79 C ATOM 1366 O GLU A 254 -16.344 -37.792 42.989 1.00 34.51 O ATOM 1367 CB GLU A 254 -13.389 -39.048 43.649 1.00 39.85 C ATOM 1368 CG GLU A 254 -12.570 -40.199 43.099 1.00 59.92 C ATOM 1369 CD GLU A 254 -13.253 -40.945 41.962 1.00 76.58 C ATOM 1370 OE1 GLU A 254 -14.321 -41.554 42.208 1.00 81.62 O ATOM 1371 OE2 GLU A 254 -12.732 -40.898 40.817 1.00 82.49 O1- ATOM 1372 N GLU A 255 -14.885 -36.268 43.764 1.00 31.37 N ATOM 1373 CA GLU A 255 -15.939 -35.429 44.305 1.00 31.70 C ATOM 1374 C GLU A 255 -16.796 -34.853 43.175 1.00 30.75 C ATOM 1375 O GLU A 255 -18.023 -34.774 43.300 1.00 33.89 O ATOM 1376 CB GLU A 255 -15.351 -34.372 45.230 1.00 38.45 C ATOM 1377 CG GLU A 255 -16.408 -33.689 46.048 1.00 39.58 C ATOM 1378 CD GLU A 255 -17.001 -34.568 47.142 1.00 42.17 C ATOM 1379 OE1 GLU A 255 -17.118 -35.797 46.944 1.00 44.92 O ATOM 1380 OE2 GLU A 255 -17.345 -34.025 48.198 1.00 40.26 O1- ATOM 1381 N ALA A 256 -16.160 -34.405 42.091 1.00 27.56 N ATOM 1382 CA ALA A 256 -16.897 -33.911 40.936 1.00 28.16 C ATOM 1383 C ALA A 256 -17.827 -34.994 40.394 1.00 30.71 C ATOM 1384 O ALA A 256 -18.970 -34.709 40.035 1.00 30.02 O ATOM 1385 CB ALA A 256 -15.972 -33.466 39.832 1.00 30.94 C ATOM 1386 N ARG A 257 -17.325 -36.231 40.318 1.00 31.06 N ATOM 1387 CA ARG A 257 -18.166 -37.341 39.859 1.00 31.81 C ATOM 1388 C ARG A 257 -19.366 -37.587 40.789 1.00 28.64 C ATOM 1389 O ARG A 257 -20.483 -37.788 40.315 1.00 32.10 O ATOM 1390 CB ARG A 257 -17.306 -38.597 39.661 1.00 35.34 C ATOM 1391 CG ARG A 257 -18.013 -39.723 38.914 1.00 47.57 C ATOM 1392 CD ARG A 257 -17.153 -40.960 38.727 1.00 61.56 C ATOM 1393 NE ARG A 257 -17.168 -41.830 39.898 1.00 70.03 N ATOM 1394 CZ ARG A 257 -17.820 -42.991 39.967 1.00 89.29 C ATOM 1395 NH1 ARG A 257 -18.478 -43.450 38.915 1.00 87.65 N ATOM 1396 NH2 ARG A 257 -17.816 -43.695 41.089 1.00 97.28 N ATOM 1397 N ARG A 258 -19.149 -37.595 42.104 1.00 27.28 N ATOM 1398 CA ARG A 258 -20.220 -37.812 43.052 1.00 29.71 C ATOM 1399 C ARG A 258 -21.291 -36.723 42.883 1.00 30.88 C ATOM 1400 O ARG A 258 -22.481 -37.000 42.951 1.00 31.32 O ATOM 1401 CB ARG A 258 -19.670 -37.863 44.475 1.00 29.24 C ATOM 1402 CG ARG A 258 -20.727 -38.082 45.547 1.00 31.93 C ATOM 1403 CD ARG A 258 -20.145 -38.041 46.947 1.00 30.91 C ATOM 1404 NE ARG A 258 -19.826 -36.689 47.401 1.00 28.37 N ATOM 1405 CZ ARG A 258 -20.716 -35.808 47.842 1.00 31.86 C ATOM 1406 NH1 ARG A 258 -22.018 -36.131 47.900 1.00 30.18 N ATOM 1407 NH2 ARG A 258 -20.283 -34.634 48.300 1.00 30.05 N ATOM 1408 N LEU A 259 -20.870 -35.470 42.656 1.00 26.66 N ATOM 1409 CA LEU A 259 -21.812 -34.352 42.595 1.00 23.86 C ATOM 1410 C LEU A 259 -22.372 -34.112 41.195 1.00 25.25 C ATOM 1411 O LEU A 259 -23.277 -33.317 41.015 1.00 28.82 O ATOM 1412 CB LEU A 259 -21.084 -33.104 43.099 1.00 23.96 C ATOM 1413 CG LEU A 259 -20.704 -33.147 44.575 1.00 26.09 C ATOM 1414 CD1 LEU A 259 -19.864 -31.908 44.927 1.00 27.17 C ATOM 1415 CD2 LEU A 259 -21.929 -33.302 45.482 1.00 25.73 C ATOM 1416 N GLY A 260 -21.841 -34.792 40.180 1.00 29.18 N ATOM 1417 CA GLY A 260 -22.393 -34.658 38.839 1.00 31.22 C ATOM 1418 C GLY A 260 -21.830 -33.490 38.037 1.00 32.32 C ATOM 1419 O GLY A 260 -22.507 -32.985 37.149 1.00 32.54 O ATOM 1420 N ALA A 261 -20.604 -33.042 38.369 1.00 29.61 N ATOM 1421 CA ALA A 261 -19.992 -31.952 37.625 1.00 28.51 C ATOM 1422 C ALA A 261 -18.813 -32.500 36.823 1.00 29.83 C ATOM 1423 O ALA A 261 -18.318 -33.576 37.103 1.00 29.95 O ATOM 1424 CB ALA A 261 -19.530 -30.865 38.601 1.00 27.09 C ATOM 1425 N GLU A 262 -18.369 -31.744 35.830 1.00 26.37 N ATOM 1426 CA GLU A 262 -17.100 -32.007 35.147 1.00 29.04 C ATOM 1427 C GLU A 262 -15.964 -31.349 35.917 1.00 29.06 C ATOM 1428 O GLU A 262 -15.981 -30.137 36.160 1.00 28.21 O ATOM 1429 CB GLU A 262 -17.118 -31.457 33.719 1.00 29.39 C ATOM 1430 CG GLU A 262 -18.170 -32.100 32.835 1.00 34.45 C ATOM 1431 CD GLU A 262 -18.258 -31.415 31.484 1.00 40.54 C ATOM 1432 OE1 GLU A 262 -17.229 -31.358 30.800 1.00 40.23 O ATOM 1433 OE2 GLU A 262 -19.346 -30.902 31.130 1.00 38.48 O1- ATOM 1434 N TYR A 263 -14.974 -32.150 36.305 1.00 27.22 N ATOM 1435 CA TYR A 263 -13.819 -31.633 37.037 1.00 27.93 C ATOM 1436 C TYR A 263 -12.863 -30.967 36.058 1.00 29.71 C ATOM 1437 O TYR A 263 -12.560 -31.514 35.011 1.00 32.55 O ATOM 1438 CB TYR A 263 -13.092 -32.777 37.761 1.00 29.41 C ATOM 1439 CG TYR A 263 -11.843 -32.349 38.480 1.00 30.44 C ATOM 1440 CD1 TYR A 263 -11.898 -31.423 39.511 1.00 29.22 C ATOM 1441 CD2 TYR A 263 -10.605 -32.862 38.118 1.00 32.49 C ATOM 1442 CE1 TYR A 263 -10.756 -30.989 40.158 1.00 34.34 C ATOM 1443 CE2 TYR A 263 -9.447 -32.459 38.772 1.00 40.76 C ATOM 1444 CZ TYR A 263 -9.529 -31.534 39.797 1.00 38.94 C ATOM 1445 OH TYR A 263 -8.413 -31.134 40.447 1.00 38.63 O ATOM 1446 N AMET A 264 -12.373 -29.780 36.423 0.50 29.84 N ATOM 1447 N BMET A 264 -12.370 -29.781 36.425 0.50 30.16 N ATOM 1448 CA AMET A 264 -11.437 -29.049 35.580 0.50 32.98 C ATOM 1449 CA BMET A 264 -11.444 -29.033 35.583 0.50 33.56 C ATOM 1450 C AMET A 264 -10.260 -28.615 36.445 0.50 34.51 C ATOM 1451 C BMET A 264 -10.260 -28.611 36.445 0.50 34.85 C ATOM 1452 O AMET A 264 -10.458 -27.992 37.484 0.50 34.54 O ATOM 1453 O BMET A 264 -10.451 -27.991 37.488 0.50 34.80 O ATOM 1454 CB AMET A 264 -12.101 -27.806 34.986 0.50 34.45 C ATOM 1455 CB BMET A 264 -12.118 -27.781 35.012 0.50 35.66 C ATOM 1456 CG AMET A 264 -11.223 -27.031 34.035 0.50 38.07 C ATOM 1457 CG BMET A 264 -13.328 -28.085 34.122 0.50 40.36 C ATOM 1458 SD AMET A 264 -10.706 -27.969 32.577 0.50 48.31 S ATOM 1459 SD BMET A 264 -12.900 -28.692 32.455 0.50 52.74 S ATOM 1460 CE AMET A 264 -12.297 -28.300 31.821 0.50 43.96 C ATOM 1461 CE BMET A 264 -11.452 -27.697 32.105 0.50 48.00 C ATOM 1462 N GLU A 265 -9.046 -28.943 35.998 1.00 42.50 N ATOM 1463 CA GLU A 265 -7.824 -28.660 36.757 1.00 48.88 C ATOM 1464 C GLU A 265 -7.284 -27.246 36.508 1.00 48.46 C ATOM 1465 O GLU A 265 -6.887 -26.566 37.458 1.00 60.77 O ATOM 1466 CB GLU A 265 -6.732 -29.629 36.325 1.00 58.05 C ATOM 1467 CG GLU A 265 -7.114 -31.082 36.496 1.00 78.35 C ATOM 1468 CD GLU A 265 -6.366 -31.801 37.606 1.00 85.10 C ATOM 1469 OE1 GLU A 265 -6.254 -31.244 38.725 1.00 82.07 O ATOM 1470 OE2 GLU A 265 -5.902 -32.924 37.345 1.00103.41 O ATOM 1471 N AASP A 266 -7.287 -26.808 35.245 0.50 41.41 N ATOM 1472 N BASP A 266 -7.285 -26.813 35.239 0.50 40.64 N ATOM 1473 CA AASP A 266 -6.555 -25.616 34.846 0.50 50.76 C ATOM 1474 CA BASP A 266 -6.554 -25.625 34.823 0.50 49.49 C ATOM 1475 C AASP A 266 -7.541 -24.572 34.334 0.50 45.84 C ATOM 1476 C BASP A 266 -7.538 -24.572 34.324 0.50 45.15 C ATOM 1477 O AASP A 266 -8.473 -24.900 33.601 0.50 45.88 O ATOM 1478 O BASP A 266 -8.465 -24.896 33.585 0.50 45.32 O ATOM 1479 CB AASP A 266 -5.504 -25.947 33.782 0.50 57.89 C ATOM 1480 CB BASP A 266 -5.500 -25.938 33.750 0.50 54.86 C ATOM 1481 CG AASP A 266 -6.115 -26.730 32.637 0.50 65.58 C ATOM 1482 CG BASP A 266 -4.545 -27.051 34.143 0.50 59.67 C ATOM 1483 OD1AASP A 266 -6.676 -27.810 32.911 0.50 75.63 O ATOM 1484 OD1BASP A 266 -4.123 -27.069 35.312 0.50 68.47 O ATOM 1485 OD2AASP A 266 -6.073 -26.224 31.496 0.50 72.11 O1- ATOM 1486 OD2BASP A 266 -4.227 -27.891 33.278 0.50 68.49 O1- ATOM 1487 N LEU A 267 -7.315 -23.312 34.727 1.00 38.74 N ATOM 1488 CA LEU A 267 -8.174 -22.207 34.331 1.00 36.72 C ATOM 1489 C LEU A 267 -8.155 -22.028 32.819 1.00 45.41 C ATOM 1490 O LEU A 267 -9.196 -21.721 32.228 1.00 45.55 O ATOM 1491 CB LEU A 267 -7.700 -20.918 35.023 1.00 35.16 C ATOM 1492 CG LEU A 267 -7.856 -20.934 36.542 1.00 41.29 C ATOM 1493 CD1 LEU A 267 -6.844 -19.997 37.197 1.00 46.25 C ATOM 1494 CD2 LEU A 267 -9.281 -20.558 36.934 1.00 36.17 C ATOM 1495 N LYS A 268 -6.969 -22.199 32.215 1.00 53.43 N ATOM 1496 CA LYS A 268 -6.758 -22.059 30.779 1.00 66.23 C ATOM 1497 C LYS A 268 -7.615 -23.054 29.991 1.00 68.98 C ATOM 1498 O LYS A 268 -7.976 -22.811 28.839 1.00 77.54 O ATOM 1499 CB LYS A 268 -5.269 -22.242 30.463 1.00 69.49 C ATOM 1500 N GLY A 269 -7.924 -24.199 30.601 1.00 69.49 N ATOM 1501 CA GLY A 269 -8.738 -25.206 29.936 1.00 62.68 C ATOM 1502 C GLY A 269 -10.244 -24.925 29.968 1.00 64.89 C ATOM 1503 O GLY A 269 -11.010 -25.647 29.327 1.00 56.92 O ATOM 1504 N LEU A 270 -10.676 -23.881 30.696 1.00 55.81 N ATOM 1505 CA LEU A 270 -12.103 -23.657 30.840 1.00 51.04 C ATOM 1506 C LEU A 270 -12.701 -23.175 29.530 1.00 39.99 C ATOM 1507 O LEU A 270 -13.668 -23.746 29.051 1.00 40.21 O ATOM 1508 CB LEU A 270 -12.383 -22.617 31.927 1.00 52.12 C ATOM 1509 CG LEU A 270 -12.685 -23.164 33.310 1.00 41.51 C ATOM 1510 CD1 LEU A 270 -12.926 -21.982 34.225 1.00 36.16 C ATOM 1511 CD2 LEU A 270 -13.895 -24.100 33.281 1.00 46.42 C ATOM 1512 N ALA A 271 -12.138 -22.087 28.977 1.00 41.90 N ATOM 1513 CA ALA A 271 -12.664 -21.517 27.749 1.00 46.11 C ATOM 1514 C ALA A 271 -12.624 -22.571 26.646 1.00 42.16 C ATOM 1515 O ALA A 271 -13.575 -22.694 25.888 1.00 49.62 O ATOM 1516 CB ALA A 271 -11.859 -20.297 27.365 1.00 50.96 C ATOM 1517 N GLU A 272 -11.516 -23.315 26.596 1.00 50.48 N ATOM 1518 CA GLU A 272 -11.322 -24.379 25.622 1.00 54.96 C ATOM 1519 C GLU A 272 -12.438 -25.405 25.741 1.00 50.91 C ATOM 1520 O GLU A 272 -13.056 -25.769 24.745 1.00 49.70 O ATOM 1521 CB GLU A 272 -10.038 -25.147 25.928 1.00 60.97 C ATOM 1522 CG GLU A 272 -8.769 -24.367 25.631 1.00 75.19 C ATOM 1523 CD GLU A 272 -7.483 -25.006 26.133 1.00 90.76 C ATOM 1524 OE1 GLU A 272 -7.391 -26.263 26.106 1.00 82.28 O ATOM 1525 OE2 GLU A 272 -6.559 -24.243 26.521 1.00 94.97 O1- ATOM 1526 N ALA A 273 -12.637 -25.893 26.966 1.00 42.83 N ATOM 1527 CA ALA A 273 -13.662 -26.887 27.228 1.00 43.88 C ATOM 1528 C ALA A 273 -15.036 -26.403 26.758 1.00 50.81 C ATOM 1529 O ALA A 273 -15.885 -27.215 26.378 1.00 57.73 O ATOM 1530 CB ALA A 273 -13.647 -27.253 28.679 1.00 46.98 C ATOM 1531 N LEU A 274 -15.254 -25.086 26.739 1.00 45.80 N ATOM 1532 CA LEU A 274 -16.450 -24.575 26.077 1.00 55.48 C ATOM 1533 C LEU A 274 -16.099 -24.322 24.606 1.00 68.19 C ATOM 1534 O LEU A 274 -16.454 -25.178 23.783 1.00 78.91 O ATOM 1535 CB LEU A 274 -16.915 -23.295 26.785 1.00 51.22 C ATOM 1536 CG LEU A 274 -17.418 -23.507 28.217 1.00 53.42 C ATOM 1537 CD1 LEU A 274 -17.480 -22.206 28.989 1.00 56.79 C ATOM 1538 CD2 LEU A 274 -18.793 -24.170 28.235 1.00 50.31 C ATOM 1539 N TRP A 275 -15.250 -23.427 24.277 0.00 30.00 N ATOM 1540 CA TRP A 275 -14.634 -23.221 22.936 0.00 30.00 C ATOM 1541 C TRP A 275 -13.932 -21.835 22.891 0.00 30.00 C ATOM 1542 O TRP A 275 -14.439 -20.922 22.226 0.00 30.00 O ATOM 1543 CB TRP A 275 -15.626 -23.479 21.807 0.00 30.00 C TER 1544 TRP A 275 C END If you find results from this site helpful for your research, please cite one of our papers:
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