 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** 1ERR monomer ***elNémo ID: 2404102156053369258Job options:ID = 2404102156053369258 JOBID = 1ERR monomer 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 1ERR monomer HEADER NUCLEAR RECEPTOR 08-SEP-97 1ERR TITLE HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH TITLE 2 RALOXIFENE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ESTROGEN RECEPTOR; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: LIGAND-BINDING DOMAIN; COMPND 5 SYNONYM: ESTROGEN RECEPTOR, ER-LBD, ER-ALPHA; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: LIGAND-BINDING DOMAIN (DOMAIN E - RESIDUES 301-553) IN COMPND 8 COMPLEX WITH THE SELECTIVE ANTAGONIST RALOXIFENE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 STRAIN: JM109; SOURCE 6 VARIANT: C1857; SOURCE 7 GENE: ER ALPHA; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 10 EXPRESSION_SYSTEM_STRAIN: JM109; SOURCE 11 EXPRESSION_SYSTEM_VARIANT: C1857; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PEALPHA 35 KEYWDS NUCLEAR RECEPTOR, TRANSCRIPTION FACTOR, STEROID, ANTAGONIST EXPDTA X-RAY DIFFRACTION AUTHOR A.M.BRZOZOWSKI,A.C.W.PIKE REVDAT 5 15-MAY-13 1ERR 1 HETATM VERSN REVDAT 4 24-FEB-09 1ERR 1 VERSN REVDAT 3 01-APR-03 1ERR 1 JRNL REVDAT 2 04-NOV-98 1ERR 3 ATOM COMPND REMARK TITLE REVDAT 2 2 3 HETATM AUTHOR SEQADV CRYST1 REVDAT 2 3 3 JRNL HEADER TER CONECT REVDAT 1 16-SEP-98 1ERR 0 JRNL AUTH A.M.BRZOZOWSKI,A.C.PIKE,Z.DAUTER,R.E.HUBBARD,T.BONN, JRNL AUTH 2 O.ENGSTROM,L.OHMAN,G.L.GREENE,J.A.GUSTAFSSON,M.CARLQUIST JRNL TITL MOLECULAR BASIS OF AGONISM AND ANTAGONISM IN THE OESTROGEN JRNL TITL 2 RECEPTOR. JRNL REF NATURE V. 389 753 1997 JRNL REFN ISSN 0028-0836 JRNL PMID 9338790 JRNL DOI 10.1038/39645 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.7 REMARK 3 NUMBER OF REFLECTIONS : 15433 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.219 REMARK 3 FREE R VALUE : 0.299 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1565 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3502 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 68 REMARK 3 SOLVENT ATOMS : 100 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 52.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.016 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.030 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.052 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.030 ; 0.040 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.205 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.313 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : 0.189 ; 0.300 REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 3.100 ; 7.000 REMARK 3 STAGGERED (DEGREES) : 22.600; 15.000 REMARK 3 TRANSVERSE (DEGREES) : 39.700; 20.000 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.739 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.639 ; 3.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.106 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.828 ; 3.000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ERR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-DEC-96 REMARK 200 TEMPERATURE (KELVIN) : 120 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : X11 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9054 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15433 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.7 REMARK 200 DATA REDUNDANCY : 4.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.08000 REMARK 200 FOR THE DATA SET : 7.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.64 REMARK 200 COMPLETENESS FOR SHELL (%) : 62.6 REMARK 200 DATA REDUNDANCY IN SHELL : 1.50 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.44600 REMARK 200 FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR REMARK 200 SOFTWARE USED: MLPHARE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.22 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 12% (W/V) PEG 4000, 0.2M MAGNESIUM REMARK 280 CHLORIDE, 50MM L-LYSINE, 0.1M SUCROSE, 5% 1,4-DIOXANE, 0.1M TRIS- REMARK 280 HCL, PH 8.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 52.26500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 26.84000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 52.26500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 26.84000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5070 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18480 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CE1 HIS A 373 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 301 REMARK 465 LYS A 302 REMARK 465 LYS A 303 REMARK 465 ASN A 304 REMARK 465 SER A 305 REMARK 465 LEU A 306 REMARK 465 THR A 460 REMARK 465 PHE A 461 REMARK 465 LEU A 462 REMARK 465 SER A 463 REMARK 465 SER A 464 REMARK 465 THR A 465 REMARK 465 LEU A 466 REMARK 465 LYS A 467 REMARK 465 SER A 468 REMARK 465 LEU A 469 REMARK 465 LYS A 529 REMARK 465 CYS A 530 REMARK 465 LYS A 531 REMARK 465 ASN A 532 REMARK 465 VAL A 533 REMARK 465 VAL A 534 REMARK 465 ARG A 548 REMARK 465 LEU A 549 REMARK 465 HIS A 550 REMARK 465 ALA A 551 REMARK 465 PRO A 552 REMARK 465 THR A 553 REMARK 465 SER B 301 REMARK 465 LYS B 302 REMARK 465 LYS B 303 REMARK 465 ASN B 304 REMARK 465 SER B 305 REMARK 465 ASP B 332 REMARK 465 PRO B 333 REMARK 465 THR B 334 REMARK 465 ARG B 335 REMARK 465 PRO B 336 REMARK 465 PHE B 337 REMARK 465 SER B 338 REMARK 465 GLU B 339 REMARK 465 THR B 460 REMARK 465 PHE B 461 REMARK 465 LEU B 462 REMARK 465 SER B 463 REMARK 465 SER B 464 REMARK 465 THR B 465 REMARK 465 LEU B 466 REMARK 465 LYS B 467 REMARK 465 SER B 468 REMARK 465 CYS B 530 REMARK 465 LYS B 531 REMARK 465 ASN B 532 REMARK 465 VAL B 533 REMARK 465 VAL B 534 REMARK 465 PRO B 535 REMARK 465 PRO B 552 REMARK 465 THR B 553 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 TYR A 331 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASP A 332 CG OD1 OD2 REMARK 470 GLU A 397 CD OE1 OE2 REMARK 470 LYS A 416 CG CD CE NZ REMARK 470 GLU A 419 CG CD OE1 OE2 REMARK 470 GLU A 470 CG CD OE1 OE2 REMARK 470 GLU A 471 CG CD OE1 OE2 REMARK 470 LYS A 472 CG CD CE NZ REMARK 470 ARG A 477 CZ NH1 NH2 REMARK 470 LYS A 492 CD CE NZ REMARK 470 GLU A 542 CG CD OE1 OE2 REMARK 470 HIS B 377 CG ND1 CD2 CE1 NE2 REMARK 470 GLU B 397 CD OE1 OE2 REMARK 470 LYS B 416 CG CD CE NZ REMARK 470 GLU B 419 CG CD OE1 OE2 REMARK 470 GLU B 423 CG CD OE1 OE2 REMARK 470 LEU B 469 CG CD1 CD2 REMARK 470 GLU B 470 CG CD OE1 OE2 REMARK 470 GLU B 471 CG CD OE1 OE2 REMARK 470 LYS B 472 CG CD CE NZ REMARK 470 ARG B 477 CZ NH1 NH2 REMARK 470 LYS B 529 CG CD CE NZ REMARK 470 ARG B 548 CG CD NE CZ NH1 NH2 REMARK 470 LEU B 549 CG CD1 CD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 352 NE - CZ - NH2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ARG A 394 CD - NE - CZ ANGL. DEV. = -11.5 DEGREES REMARK 500 ARG A 394 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES REMARK 500 MET A 421 CA - CB - CG ANGL. DEV. = 14.3 DEGREES REMARK 500 SER A 432 N - CA - CB ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG A 515 NE - CZ - NH2 ANGL. DEV. = -4.8 DEGREES REMARK 500 ASP B 313 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP B 313 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASN B 359 CA - CB - CG ANGL. DEV. = -13.6 DEGREES REMARK 500 ASN B 359 OD1 - CG - ND2 ANGL. DEV. = 15.1 DEGREES REMARK 500 ARG B 363 NE - CZ - NH1 ANGL. DEV. = 5.4 DEGREES REMARK 500 GLU B 385 OE1 - CD - OE2 ANGL. DEV. = -7.3 DEGREES REMARK 500 ARG B 394 NE - CZ - NH1 ANGL. DEV. = -3.3 DEGREES REMARK 500 SER B 432 N - CA - CB ANGL. DEV. = 11.1 DEGREES REMARK 500 ARG B 434 CD - NE - CZ ANGL. DEV. = 8.7 DEGREES REMARK 500 ARG B 436 CD - NE - CZ ANGL. DEV. = 12.8 DEGREES REMARK 500 VAL B 446 CA - CB - CG1 ANGL. DEV. = 9.0 DEGREES REMARK 500 ARG B 503 NE - CZ - NH1 ANGL. DEV. = -5.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 332 96.30 -11.69 REMARK 500 PRO A 333 -91.32 -77.49 REMARK 500 PRO A 365 118.07 -39.77 REMARK 500 LEU A 408 69.20 -150.91 REMARK 500 GLU A 419 100.05 -41.76 REMARK 500 GLU B 397 36.64 -84.57 REMARK 500 HIS B 398 52.98 -142.42 REMARK 500 LEU B 408 74.17 -156.33 REMARK 500 CYS B 417 3.59 -61.21 REMARK 500 MET B 528 -83.81 -49.91 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ASP A 473 -13.89 REMARK 500 GLY B 457 11.28 REMARK 500 HIS B 501 -12.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RAL A 600 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RAL B 600 DBREF 1ERR A 301 553 UNP P03372 ESR1_HUMAN 301 553 DBREF 1ERR B 301 553 UNP P03372 ESR1_HUMAN 301 553 SEQRES 1 A 253 SER LYS LYS ASN SER LEU ALA LEU SER LEU THR ALA ASP SEQRES 2 A 253 GLN MET VAL SER ALA LEU LEU ASP ALA GLU PRO PRO ILE SEQRES 3 A 253 LEU TYR SER GLU TYR ASP PRO THR ARG PRO PHE SER GLU SEQRES 4 A 253 ALA SER MET MET GLY LEU LEU THR ASN LEU ALA ASP ARG SEQRES 5 A 253 GLU LEU VAL HIS MET ILE ASN TRP ALA LYS ARG VAL PRO SEQRES 6 A 253 GLY PHE VAL ASP LEU THR LEU HIS ASP GLN VAL HIS LEU SEQRES 7 A 253 LEU GLU CCS ALA TRP LEU GLU ILE LEU MET ILE GLY LEU SEQRES 8 A 253 VAL TRP ARG SER MET GLU HIS PRO GLY LYS LEU LEU PHE SEQRES 9 A 253 ALA PRO ASN LEU LEU LEU ASP ARG ASN GLN GLY LYS CYS SEQRES 10 A 253 VAL GLU GLY MET VAL GLU ILE PHE ASP MET LEU LEU ALA SEQRES 11 A 253 THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU SEQRES 12 A 253 GLU PHE VAL CYS LEU LYS SER ILE ILE LEU LEU ASN SER SEQRES 13 A 253 GLY VAL TYR THR PHE LEU SER SER THR LEU LYS SER LEU SEQRES 14 A 253 GLU GLU LYS ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE SEQRES 15 A 253 THR ASP THR LEU ILE HIS LEU MET ALA LYS ALA GLY LEU SEQRES 16 A 253 THR LEU GLN GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU SEQRES 17 A 253 LEU ILE LEU SER HIS ILE ARG HIS MET SER ASN LYS GLY SEQRES 18 A 253 MET GLU HIS LEU TYR SER MET LYS CYS LYS ASN VAL VAL SEQRES 19 A 253 PRO LEU TYR ASP LEU LEU LEU GLU MET LEU ASP ALA HIS SEQRES 20 A 253 ARG LEU HIS ALA PRO THR SEQRES 1 B 253 SER LYS LYS ASN SER LEU ALA LEU SER LEU THR ALA ASP SEQRES 2 B 253 GLN MET VAL SER ALA LEU LEU ASP ALA GLU PRO PRO ILE SEQRES 3 B 253 LEU TYR SER GLU TYR ASP PRO THR ARG PRO PHE SER GLU SEQRES 4 B 253 ALA SER MET MET GLY LEU LEU THR ASN LEU ALA ASP ARG SEQRES 5 B 253 GLU LEU VAL HIS MET ILE ASN TRP ALA LYS ARG VAL PRO SEQRES 6 B 253 GLY PHE VAL ASP LEU THR LEU HIS ASP GLN VAL HIS LEU SEQRES 7 B 253 LEU GLU CCS ALA TRP LEU GLU ILE LEU MET ILE GLY LEU SEQRES 8 B 253 VAL TRP ARG SER MET GLU HIS PRO GLY LYS LEU LEU PHE SEQRES 9 B 253 ALA PRO ASN LEU LEU LEU ASP ARG ASN GLN GLY LYS CYS SEQRES 10 B 253 VAL GLU GLY MET VAL GLU ILE PHE ASP MET LEU LEU ALA SEQRES 11 B 253 THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU SEQRES 12 B 253 GLU PHE VAL CYS LEU LYS SER ILE ILE LEU LEU ASN SER SEQRES 13 B 253 GLY VAL TYR THR PHE LEU SER SER THR LEU LYS SER LEU SEQRES 14 B 253 GLU GLU LYS ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE SEQRES 15 B 253 THR ASP THR LEU ILE HIS LEU MET ALA LYS ALA GLY LEU SEQRES 16 B 253 THR LEU GLN GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU SEQRES 17 B 253 LEU ILE LEU SER HIS ILE ARG HIS MET SER ASN LYS GLY SEQRES 18 B 253 MET GLU HIS LEU TYR SER MET LYS CYS LYS ASN VAL VAL SEQRES 19 B 253 PRO LEU TYR ASP LEU LEU LEU GLU MET LEU ASP ALA HIS SEQRES 20 B 253 ARG LEU HIS ALA PRO THR MODRES 1ERR CCS A 381 CYS CARBOXYMETHYLATED CYSTEINE MODRES 1ERR CCS B 381 CYS CARBOXYMETHYLATED CYSTEINE HET CCS A 381 15 HET CCS B 381 10 HET RAL A 600 34 HET RAL B 600 34 HETNAM CCS CARBOXYMETHYLATED CYSTEINE HETNAM RAL RALOXIFENE FORMUL 1 CCS 2(C5 H9 N O4 S) FORMUL 3 RAL 2(C28 H27 N O4 S) FORMUL 5 HOH *100(H2 O) HELIX 1 1 ALA A 312 ASP A 321 1 10 HELIX 2 2 GLU A 339 ARG A 363 1 25 HELIX 3 3 PHE A 367 ASP A 369 1 3 HELIX 4 4 LEU A 372 SER A 395 1 24 HELIX 5 5 ARG A 412 CYS A 417 1 6 HELIX 6 6 VAL A 422 MET A 438 1 17 HELIX 7 7 GLY A 442 ASN A 455 1 14 HELIX 8 8 GLU A 471 LYS A 492 1 22 HELIX 9 9 LEU A 497 SER A 527 1 31 HELIX 10 10 LEU A 536 ASP A 545 1 10 HELIX 11 11 ALA B 307 SER B 309 1 3 HELIX 12 12 ALA B 312 ASP B 321 1 10 HELIX 13 13 MET B 342 ARG B 363 1 22 HELIX 14 14 PHE B 367 ASP B 369 1 3 HELIX 15 15 LEU B 372 SER B 395 1 24 HELIX 16 16 ARG B 412 CYS B 417 1 6 HELIX 17 17 MET B 421 MET B 437 1 17 HELIX 18 18 GLY B 442 ASN B 455 1 14 HELIX 19 19 GLU B 470 LYS B 492 1 23 HELIX 20 20 LEU B 497 MET B 528 1 32 HELIX 21 21 TYR B 537 LEU B 549 1 13 SHEET 1 1 1 LYS A 401 ALA A 405 0 SHEET 2 2 1 LEU A 408 ASP A 411 0 SHEET 3 3 1 LYS B 401 ALA B 405 0 SHEET 4 4 1 LEU B 408 ASP B 411 0 LINK C GLU A 380 N CCS A 381 1555 1555 1.33 LINK C CCS A 381 N ALA A 382 1555 1555 1.29 LINK C GLU B 380 N CCS B 381 1555 1555 1.31 LINK C CCS B 381 N ALA B 382 1555 1555 1.33 CISPEP 1 ARG A 335 PRO A 336 0 0.13 SITE 1 AC1 16 HOH A 3 LEU A 346 THR A 347 ALA A 350 SITE 2 AC1 16 ASP A 351 GLU A 353 LEU A 354 TRP A 383 SITE 3 AC1 16 LEU A 387 ARG A 394 PHE A 404 MET A 421 SITE 4 AC1 16 ILE A 424 HIS A 524 LEU A 525 LEU A 536 SITE 1 AC2 12 HOH B 61 LEU B 346 THR B 347 ALA B 350 SITE 2 AC2 12 ASP B 351 GLU B 353 TRP B 383 LEU B 391 SITE 3 AC2 12 ARG B 394 ILE B 424 HIS B 524 LEU B 536 CRYST1 104.530 53.680 102.710 90.00 116.79 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009567 0.000000 0.004830 0.00000 SCALE2 0.000000 0.018629 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010907 0.00000 MTRIX1 1 -0.740953 -0.502251 0.445794 74.86100 1 MTRIX2 1 -0.502316 -0.026089 -0.864290 122.90400 1 MTRIX3 1 0.445721 -0.864328 -0.232958 94.95000 1 ATOM 1 N ALA A 307 54.098 63.501 73.107 1.00101.44 N ATOM 2 CA ALA A 307 53.995 62.069 72.653 1.00101.06 C ATOM 3 C ALA A 307 52.966 61.945 71.536 1.00100.17 C ATOM 4 O ALA A 307 53.280 61.646 70.377 1.00 99.09 O ATOM 5 CB ALA A 307 53.690 61.140 73.815 1.00100.89 C ATOM 6 N LEU A 308 51.722 62.276 71.868 1.00 99.53 N ATOM 7 CA LEU A 308 50.596 62.259 70.953 1.00 99.09 C ATOM 8 C LEU A 308 50.516 63.528 70.121 1.00 98.93 C ATOM 9 O LEU A 308 49.540 63.825 69.426 1.00100.59 O ATOM 10 CB LEU A 308 49.302 62.048 71.772 1.00 98.27 C ATOM 11 CG LEU A 308 49.294 60.672 72.455 1.00 98.34 C ATOM 12 CD1 LEU A 308 48.270 60.564 73.564 1.00 99.10 C ATOM 13 CD2 LEU A 308 49.073 59.608 71.396 1.00 99.05 C ATOM 14 N SER A 309 51.593 64.289 70.149 1.00 97.52 N ATOM 15 CA SER A 309 51.799 65.546 69.479 1.00 94.74 C ATOM 16 C SER A 309 52.762 65.407 68.308 1.00 90.63 C ATOM 17 O SER A 309 53.020 66.365 67.590 1.00 91.89 O ATOM 18 CB SER A 309 52.357 66.583 70.456 1.00 96.58 C ATOM 19 OG SER A 309 52.346 66.102 71.800 1.00100.04 O ATOM 20 N LEU A 310 53.298 64.214 68.092 1.00 85.74 N ATOM 21 CA LEU A 310 54.212 64.025 66.973 1.00 80.17 C ATOM 22 C LEU A 310 53.475 63.652 65.701 1.00 75.60 C ATOM 23 O LEU A 310 52.519 62.877 65.644 1.00 75.27 O ATOM 24 CB LEU A 310 55.259 62.961 67.314 1.00 82.19 C ATOM 25 CG LEU A 310 56.128 63.380 68.513 1.00 84.04 C ATOM 26 CD1 LEU A 310 56.916 62.196 69.021 1.00 85.21 C ATOM 27 CD2 LEU A 310 57.028 64.542 68.119 1.00 85.94 C ATOM 28 N THR A 311 53.925 64.277 64.620 1.00 69.23 N ATOM 29 CA THR A 311 53.347 64.005 63.307 1.00 65.09 C ATOM 30 C THR A 311 53.830 62.585 62.954 1.00 61.00 C ATOM 31 O THR A 311 54.838 62.147 63.496 1.00 56.82 O ATOM 32 CB THR A 311 53.884 64.913 62.189 1.00 66.58 C ATOM 33 OG1 THR A 311 55.198 64.441 61.861 1.00 67.83 O ATOM 34 CG2 THR A 311 53.990 66.380 62.503 1.00 66.63 C ATOM 35 N ALA A 312 53.190 62.002 61.942 1.00 59.73 N ATOM 36 CA ALA A 312 53.629 60.694 61.475 1.00 56.36 C ATOM 37 C ALA A 312 55.145 60.754 61.272 1.00 55.33 C ATOM 38 O ALA A 312 55.871 59.918 61.816 1.00 55.73 O ATOM 39 CB ALA A 312 53.021 60.320 60.154 1.00 55.64 C ATOM 40 N ASP A 313 55.562 61.758 60.497 1.00 55.51 N ATOM 41 CA ASP A 313 57.000 61.809 60.232 1.00 61.36 C ATOM 42 C ASP A 313 57.854 62.030 61.457 1.00 60.56 C ATOM 43 O ASP A 313 58.925 61.401 61.501 1.00 59.92 O ATOM 44 CB ASP A 313 57.421 62.678 59.065 1.00 66.00 C ATOM 45 CG ASP A 313 56.760 62.221 57.760 1.00 70.36 C ATOM 46 OD1 ASP A 313 57.126 61.157 57.216 1.00 69.20 O ATOM 47 OD2 ASP A 313 55.822 62.967 57.358 1.00 73.76 O ATOM 48 N GLN A 314 57.425 62.794 62.443 1.00 61.07 N ATOM 49 CA GLN A 314 58.238 63.006 63.637 1.00 63.62 C ATOM 50 C GLN A 314 58.386 61.687 64.414 1.00 60.76 C ATOM 51 O GLN A 314 59.476 61.412 64.904 1.00 60.44 O ATOM 52 CB GLN A 314 57.673 64.099 64.529 1.00 68.68 C ATOM 53 CG GLN A 314 57.411 65.462 63.876 1.00 72.34 C ATOM 54 CD GLN A 314 56.582 66.319 64.835 1.00 75.22 C ATOM 55 OE1 GLN A 314 55.389 66.117 65.001 1.00 74.32 O ATOM 56 NE2 GLN A 314 57.215 67.294 65.498 1.00 76.79 N ATOM 57 N MET A 315 57.321 60.921 64.486 1.00 57.60 N ATOM 58 CA MET A 315 57.248 59.628 65.129 1.00 54.58 C ATOM 59 C MET A 315 58.322 58.723 64.541 1.00 52.34 C ATOM 60 O MET A 315 59.175 58.099 65.180 1.00 49.28 O ATOM 61 CB MET A 315 55.852 59.057 64.781 1.00 59.63 C ATOM 62 CG MET A 315 55.573 57.619 65.179 1.00 61.37 C ATOM 63 SD MET A 315 55.131 57.546 66.947 1.00 67.38 S ATOM 64 CE MET A 315 56.797 57.583 67.603 1.00 65.02 C ATOM 65 N VAL A 316 58.280 58.672 63.198 1.00 49.88 N ATOM 66 CA VAL A 316 59.184 57.774 62.491 1.00 50.51 C ATOM 67 C VAL A 316 60.656 58.049 62.696 1.00 49.96 C ATOM 68 O VAL A 316 61.451 57.091 62.811 1.00 50.67 O ATOM 69 CB VAL A 316 58.854 57.823 60.983 1.00 52.04 C ATOM 70 CG1 VAL A 316 59.711 56.828 60.214 1.00 51.77 C ATOM 71 CG2 VAL A 316 57.367 57.602 60.863 1.00 50.35 C ATOM 72 N SER A 317 61.003 59.331 62.639 1.00 48.06 N ATOM 73 CA SER A 317 62.423 59.721 62.777 1.00 48.67 C ATOM 74 C SER A 317 62.813 59.525 64.238 1.00 47.57 C ATOM 75 O SER A 317 63.778 58.816 64.595 1.00 48.05 O ATOM 76 CB SER A 317 62.430 61.196 62.364 1.00 49.56 C ATOM 77 OG SER A 317 61.339 61.700 63.181 1.00 54.05 O ATOM 78 N ALA A 318 62.000 60.024 65.158 1.00 43.79 N ATOM 79 CA ALA A 318 62.259 59.753 66.577 1.00 42.79 C ATOM 80 C ALA A 318 62.622 58.278 66.738 1.00 46.07 C ATOM 81 O ALA A 318 63.724 57.937 67.164 1.00 48.86 O ATOM 82 CB ALA A 318 60.958 60.040 67.312 1.00 43.54 C ATOM 83 N LEU A 319 61.721 57.372 66.259 1.00 44.84 N ATOM 84 CA LEU A 319 61.958 55.967 66.457 1.00 39.49 C ATOM 85 C LEU A 319 63.249 55.560 65.808 1.00 41.35 C ATOM 86 O LEU A 319 64.114 54.940 66.442 1.00 43.08 O ATOM 87 CB LEU A 319 60.818 55.095 66.132 1.00 35.20 C ATOM 88 CG LEU A 319 59.455 55.190 66.778 1.00 34.47 C ATOM 89 CD1 LEU A 319 58.471 54.330 65.923 1.00 33.78 C ATOM 90 CD2 LEU A 319 59.388 54.770 68.217 1.00 28.80 C ATOM 91 N LEU A 320 63.462 55.915 64.567 1.00 46.80 N ATOM 92 CA LEU A 320 64.721 55.511 63.886 1.00 48.28 C ATOM 93 C LEU A 320 65.946 55.905 64.667 1.00 49.61 C ATOM 94 O LEU A 320 66.922 55.170 64.714 1.00 50.99 O ATOM 95 CB LEU A 320 64.715 56.108 62.472 1.00 48.30 C ATOM 96 CG LEU A 320 63.875 55.286 61.483 1.00 49.80 C ATOM 97 CD1 LEU A 320 63.709 55.967 60.158 1.00 49.05 C ATOM 98 CD2 LEU A 320 64.519 53.925 61.255 1.00 51.04 C ATOM 99 N ASP A 321 65.935 57.068 65.308 1.00 53.09 N ATOM 100 CA ASP A 321 67.033 57.589 66.105 1.00 53.45 C ATOM 101 C ASP A 321 67.294 56.752 67.337 1.00 48.52 C ATOM 102 O ASP A 321 68.447 56.506 67.654 1.00 52.66 O ATOM 103 CB ASP A 321 66.739 59.000 66.649 1.00 57.98 C ATOM 104 CG ASP A 321 67.872 59.919 66.255 1.00 63.89 C ATOM 105 OD1 ASP A 321 68.362 59.817 65.107 1.00 66.13 O ATOM 106 OD2 ASP A 321 68.276 60.724 67.122 1.00 69.06 O ATOM 107 N ALA A 322 66.228 56.278 67.943 1.00 41.85 N ATOM 108 CA ALA A 322 66.295 55.442 69.123 1.00 36.67 C ATOM 109 C ALA A 322 66.794 54.049 68.847 1.00 33.38 C ATOM 110 O ALA A 322 66.970 53.238 69.749 1.00 34.81 O ATOM 111 CB ALA A 322 64.909 55.394 69.764 1.00 36.73 C ATOM 112 N GLU A 323 67.078 53.724 67.616 1.00 31.88 N ATOM 113 CA GLU A 323 67.392 52.340 67.287 1.00 34.43 C ATOM 114 C GLU A 323 68.526 51.925 68.094 1.00 35.40 C ATOM 115 O GLU A 323 69.427 52.756 68.242 1.00 44.66 O ATOM 116 CB GLU A 323 67.529 52.209 65.773 1.00 35.17 C ATOM 117 CG GLU A 323 66.158 51.707 65.178 1.00 38.58 C ATOM 118 CD GLU A 323 65.893 50.295 65.659 1.00 39.26 C ATOM 119 OE1 GLU A 323 66.456 49.328 65.149 1.00 42.62 O ATOM 120 OE2 GLU A 323 65.132 50.082 66.607 1.00 42.24 O ATOM 121 N PRO A 324 68.537 50.780 68.697 1.00 37.20 N ATOM 122 CA PRO A 324 69.755 50.328 69.431 1.00 37.25 C ATOM 123 C PRO A 324 70.811 50.012 68.373 1.00 37.44 C ATOM 124 O PRO A 324 70.483 49.787 67.218 1.00 38.76 O ATOM 125 CB PRO A 324 69.416 49.034 70.128 1.00 33.21 C ATOM 126 CG PRO A 324 68.160 48.636 69.459 1.00 33.49 C ATOM 127 CD PRO A 324 67.551 49.752 68.621 1.00 34.65 C ATOM 128 N PRO A 325 72.044 49.948 68.804 1.00 36.23 N ATOM 129 CA PRO A 325 73.174 49.603 67.970 1.00 34.39 C ATOM 130 C PRO A 325 73.223 48.132 67.679 1.00 36.48 C ATOM 131 O PRO A 325 72.707 47.405 68.550 1.00 43.04 O ATOM 132 CB PRO A 325 74.395 49.931 68.883 1.00 30.34 C ATOM 133 CG PRO A 325 73.826 49.651 70.222 1.00 33.20 C ATOM 134 CD PRO A 325 72.412 50.153 70.200 1.00 35.18 C ATOM 135 N ILE A 326 73.844 47.574 66.682 1.00 37.00 N ATOM 136 CA ILE A 326 73.891 46.094 66.592 1.00 35.96 C ATOM 137 C ILE A 326 75.121 45.635 67.301 1.00 39.02 C ATOM 138 O ILE A 326 76.214 46.058 66.903 1.00 47.09 O ATOM 139 CB ILE A 326 73.877 45.664 65.119 1.00 37.18 C ATOM 140 CG1 ILE A 326 72.440 45.960 64.571 1.00 33.71 C ATOM 141 CG2 ILE A 326 74.228 44.209 64.877 1.00 34.30 C ATOM 142 CD1 ILE A 326 72.322 45.838 63.110 1.00 32.65 C ATOM 143 N LEU A 327 75.061 44.831 68.339 1.00 38.76 N ATOM 144 CA LEU A 327 76.223 44.386 69.099 1.00 33.89 C ATOM 145 C LEU A 327 76.869 43.164 68.493 1.00 37.30 C ATOM 146 O LEU A 327 76.300 42.514 67.653 1.00 35.59 O ATOM 147 CB LEU A 327 75.761 44.038 70.533 1.00 31.03 C ATOM 148 CG LEU A 327 75.027 45.176 71.259 1.00 31.56 C ATOM 149 CD1 LEU A 327 74.951 44.900 72.762 1.00 28.63 C ATOM 150 CD2 LEU A 327 75.747 46.531 71.068 1.00 29.79 C ATOM 151 N TYR A 328 78.065 42.777 68.973 1.00 39.80 N ATOM 152 CA TYR A 328 78.752 41.596 68.506 1.00 38.44 C ATOM 153 C TYR A 328 78.791 40.517 69.572 1.00 42.46 C ATOM 154 O TYR A 328 78.752 40.739 70.808 1.00 40.42 O ATOM 155 CB TYR A 328 80.223 41.999 68.242 1.00 39.84 C ATOM 156 CG TYR A 328 80.429 42.530 66.862 1.00 44.53 C ATOM 157 CD1 TYR A 328 80.133 43.840 66.561 1.00 46.24 C ATOM 158 CD2 TYR A 328 80.912 41.696 65.840 1.00 48.79 C ATOM 159 CE1 TYR A 328 80.305 44.316 65.284 1.00 50.15 C ATOM 160 CE2 TYR A 328 81.078 42.159 64.556 1.00 49.24 C ATOM 161 CZ TYR A 328 80.754 43.475 64.302 1.00 52.20 C ATOM 162 OH TYR A 328 80.907 44.010 63.033 1.00 59.80 O ATOM 163 N SER A 329 79.057 39.298 69.107 1.00 45.70 N ATOM 164 CA SER A 329 79.214 38.169 70.008 1.00 51.02 C ATOM 165 C SER A 329 80.586 38.188 70.668 1.00 56.51 C ATOM 166 O SER A 329 81.548 38.612 70.018 1.00 55.49 O ATOM 167 CB SER A 329 79.156 36.880 69.159 1.00 50.86 C ATOM 168 OG SER A 329 79.310 35.775 70.062 1.00 52.63 O ATOM 169 N GLU A 330 80.706 37.683 71.878 1.00 65.75 N ATOM 170 CA GLU A 330 82.025 37.611 72.521 1.00 76.01 C ATOM 171 C GLU A 330 82.960 37.133 71.396 1.00 81.00 C ATOM 172 O GLU A 330 82.675 36.107 70.813 1.00 79.13 O ATOM 173 CB GLU A 330 82.071 36.616 73.647 1.00 79.87 C ATOM 174 CG GLU A 330 80.998 36.670 74.700 1.00 84.53 C ATOM 175 CD GLU A 330 81.061 35.563 75.738 1.00 88.62 C ATOM 176 OE1 GLU A 330 80.793 34.362 75.470 1.00 88.61 O ATOM 177 OE2 GLU A 330 81.382 35.913 76.917 1.00 89.74 O ATOM 178 N TYR A 331 83.985 37.902 71.102 1.00 91.50 N ATOM 179 CA TYR A 331 84.918 37.609 70.032 1.00100.48 C ATOM 180 C TYR A 331 85.340 36.141 70.038 1.00107.14 C ATOM 181 O TYR A 331 85.517 35.555 71.101 1.00108.63 O ATOM 182 CB TYR A 331 86.138 38.522 70.026 1.00 99.32 C ATOM 183 N ASP A 332 85.477 35.582 68.851 1.00114.50 N ATOM 184 CA ASP A 332 85.796 34.214 68.578 1.00120.41 C ATOM 185 C ASP A 332 86.261 33.397 69.761 1.00124.62 C ATOM 186 O ASP A 332 87.442 33.398 70.107 1.00125.40 O ATOM 187 CB ASP A 332 86.895 34.137 67.490 1.00120.22 C ATOM 188 N PRO A 333 85.358 32.668 70.380 1.00128.51 N ATOM 189 CA PRO A 333 85.716 31.776 71.485 1.00130.41 C ATOM 190 C PRO A 333 86.343 30.548 70.821 1.00131.42 C ATOM 191 O PRO A 333 87.547 30.533 70.554 1.00133.43 O ATOM 192 CB PRO A 333 84.415 31.426 72.212 1.00130.17 C ATOM 193 CG PRO A 333 83.390 31.669 71.139 1.00129.68 C ATOM 194 CD PRO A 333 83.944 32.552 70.043 1.00128.77 C ATOM 195 N THR A 334 85.516 29.556 70.526 1.00130.47 N ATOM 196 CA THR A 334 85.948 28.337 69.884 1.00129.25 C ATOM 197 C THR A 334 84.785 27.632 69.178 1.00127.54 C ATOM 198 O THR A 334 83.666 27.547 69.667 1.00125.84 O ATOM 199 CB THR A 334 86.605 27.340 70.853 1.00129.94 C ATOM 200 OG1 THR A 334 86.141 27.528 72.189 1.00129.64 O ATOM 201 CG2 THR A 334 88.121 27.474 70.833 1.00131.04 C ATOM 202 N ARG A 335 85.107 27.111 67.999 1.00125.90 N ATOM 203 CA ARG A 335 84.113 26.382 67.198 1.00123.68 C ATOM 204 C ARG A 335 84.728 25.036 66.825 1.00119.67 C ATOM 205 O ARG A 335 85.940 24.931 66.633 1.00119.78 O ATOM 206 CB ARG A 335 83.720 27.231 66.009 1.00125.31 C ATOM 207 CG ARG A 335 82.285 27.149 65.540 1.00127.03 C ATOM 208 CD ARG A 335 81.655 28.529 65.578 1.00128.25 C ATOM 209 NE ARG A 335 82.347 29.451 64.686 1.00129.98 N ATOM 210 CZ ARG A 335 81.682 30.315 63.921 1.00130.52 C ATOM 211 NH1 ARG A 335 80.362 30.335 63.971 1.00129.82 N ATOM 212 NH2 ARG A 335 82.367 31.123 63.131 1.00131.96 N ATOM 213 N PRO A 336 83.912 24.016 66.729 1.00115.59 N ATOM 214 CA PRO A 336 82.489 24.100 66.951 1.00113.40 C ATOM 215 C PRO A 336 82.114 24.304 68.410 1.00111.16 C ATOM 216 O PRO A 336 82.732 23.804 69.352 1.00110.30 O ATOM 217 CB PRO A 336 81.900 22.777 66.413 1.00113.87 C ATOM 218 CG PRO A 336 83.075 21.850 66.561 1.00113.87 C ATOM 219 CD PRO A 336 84.336 22.658 66.384 1.00114.86 C ATOM 220 N PHE A 337 81.056 25.072 68.653 1.00108.59 N ATOM 221 CA PHE A 337 80.592 25.302 70.005 1.00107.41 C ATOM 222 C PHE A 337 79.944 24.019 70.544 1.00105.98 C ATOM 223 O PHE A 337 79.608 23.095 69.811 1.00105.97 O ATOM 224 CB PHE A 337 79.494 26.381 70.074 1.00108.40 C ATOM 225 CG PHE A 337 79.786 27.668 69.384 1.00109.05 C ATOM 226 CD1 PHE A 337 80.817 28.477 69.826 1.00110.21 C ATOM 227 CD2 PHE A 337 79.061 28.082 68.283 1.00109.60 C ATOM 228 CE1 PHE A 337 81.137 29.655 69.173 1.00110.99 C ATOM 229 CE2 PHE A 337 79.344 29.276 67.646 1.00110.17 C ATOM 230 CZ PHE A 337 80.379 30.077 68.098 1.00110.36 C ATOM 231 N SER A 338 79.684 24.056 71.839 1.00104.12 N ATOM 232 CA SER A 338 78.921 23.005 72.510 1.00101.32 C ATOM 233 C SER A 338 77.542 23.619 72.828 1.00 99.90 C ATOM 234 O SER A 338 77.245 24.736 72.394 1.00 98.36 O ATOM 235 CB SER A 338 79.628 22.537 73.768 1.00 99.85 C ATOM 236 OG SER A 338 79.630 23.506 74.795 1.00 98.71 O ATOM 237 N GLU A 339 76.720 22.900 73.575 1.00 98.70 N ATOM 238 CA GLU A 339 75.412 23.419 73.948 1.00 97.01 C ATOM 239 C GLU A 339 75.629 24.565 74.947 1.00 92.79 C ATOM 240 O GLU A 339 75.146 25.676 74.716 1.00 91.77 O ATOM 241 CB GLU A 339 74.542 22.333 74.539 1.00101.76 C ATOM 242 CG GLU A 339 73.174 22.808 75.040 1.00106.56 C ATOM 243 CD GLU A 339 72.364 21.658 75.609 1.00109.74 C ATOM 244 OE1 GLU A 339 72.856 20.503 75.549 1.00112.97 O ATOM 245 OE2 GLU A 339 71.247 21.895 76.114 1.00110.41 O ATOM 246 N ALA A 340 76.455 24.326 75.964 1.00 87.20 N ATOM 247 CA ALA A 340 76.727 25.362 76.943 1.00 84.40 C ATOM 248 C ALA A 340 77.497 26.557 76.397 1.00 81.16 C ATOM 249 O ALA A 340 77.234 27.697 76.785 1.00 80.26 O ATOM 250 CB ALA A 340 77.457 24.787 78.161 1.00 85.04 C ATOM 251 N SER A 341 78.452 26.338 75.510 1.00 77.03 N ATOM 252 CA SER A 341 79.267 27.403 74.926 1.00 72.02 C ATOM 253 C SER A 341 78.435 28.351 74.080 1.00 67.47 C ATOM 254 O SER A 341 78.568 29.576 74.162 1.00 63.26 O ATOM 255 CB SER A 341 80.428 26.784 74.137 1.00 71.53 C ATOM 256 OG SER A 341 80.507 27.178 72.795 1.00 69.57 O ATOM 257 N MET A 342 77.581 27.768 73.248 1.00 64.08 N ATOM 258 CA MET A 342 76.671 28.553 72.431 1.00 62.01 C ATOM 259 C MET A 342 75.663 29.290 73.319 1.00 58.62 C ATOM 260 O MET A 342 75.325 30.455 73.098 1.00 56.39 O ATOM 261 CB MET A 342 75.893 27.597 71.535 1.00 62.67 C ATOM 262 CG MET A 342 74.882 28.258 70.647 1.00 63.17 C ATOM 263 SD MET A 342 74.747 27.389 69.098 1.00 70.28 S ATOM 264 CE MET A 342 73.064 26.783 69.114 1.00 66.11 C ATOM 265 N MET A 343 75.190 28.560 74.346 1.00 52.89 N ATOM 266 CA MET A 343 74.213 29.182 75.229 1.00 50.63 C ATOM 267 C MET A 343 74.848 30.415 75.855 1.00 49.91 C ATOM 268 O MET A 343 74.196 31.460 75.988 1.00 52.56 O ATOM 269 CB MET A 343 73.619 28.255 76.258 1.00 50.93 C ATOM 270 CG MET A 343 72.421 27.408 75.889 1.00 53.30 C ATOM 271 SD MET A 343 71.438 28.002 74.494 1.00 60.64 S ATOM 272 CE MET A 343 70.677 29.482 75.224 1.00 52.97 C ATOM 273 N GLY A 344 76.090 30.324 76.252 1.00 46.32 N ATOM 274 CA GLY A 344 76.894 31.341 76.853 1.00 40.89 C ATOM 275 C GLY A 344 77.069 32.501 75.904 1.00 41.62 C ATOM 276 O GLY A 344 76.845 33.648 76.313 1.00 43.99 O ATOM 277 N LEU A 345 77.379 32.229 74.635 1.00 40.05 N ATOM 278 CA LEU A 345 77.512 33.370 73.724 1.00 39.66 C ATOM 279 C LEU A 345 76.152 34.018 73.593 1.00 42.22 C ATOM 280 O LEU A 345 75.967 35.236 73.827 1.00 40.01 O ATOM 281 CB LEU A 345 78.094 32.904 72.411 1.00 40.52 C ATOM 282 CG LEU A 345 79.509 32.281 72.578 1.00 36.81 C ATOM 283 CD1 LEU A 345 79.728 31.405 71.412 1.00 35.07 C ATOM 284 CD2 LEU A 345 80.562 33.373 72.617 1.00 35.91 C ATOM 285 N LEU A 346 75.135 33.152 73.330 1.00 40.70 N ATOM 286 CA LEU A 346 73.799 33.771 73.251 1.00 38.15 C ATOM 287 C LEU A 346 73.411 34.515 74.514 1.00 37.81 C ATOM 288 O LEU A 346 72.763 35.589 74.387 1.00 33.78 O ATOM 289 CB LEU A 346 72.812 32.717 72.775 1.00 36.63 C ATOM 290 CG LEU A 346 73.197 32.163 71.396 1.00 36.54 C ATOM 291 CD1 LEU A 346 72.319 30.952 71.093 1.00 39.38 C ATOM 292 CD2 LEU A 346 73.117 33.221 70.327 1.00 34.92 C ATOM 293 N THR A 347 73.767 34.006 75.697 1.00 35.86 N ATOM 294 CA THR A 347 73.329 34.644 76.950 1.00 38.36 C ATOM 295 C THR A 347 74.041 35.977 77.122 1.00 39.47 C ATOM 296 O THR A 347 73.402 36.976 77.407 1.00 40.21 O ATOM 297 CB THR A 347 73.610 33.797 78.194 1.00 38.11 C ATOM 298 OG1 THR A 347 73.118 32.465 78.023 1.00 43.41 O ATOM 299 CG2 THR A 347 73.043 34.344 79.455 1.00 32.94 C ATOM 300 N ASN A 348 75.364 35.950 76.915 1.00 38.84 N ATOM 301 CA ASN A 348 76.138 37.179 77.003 1.00 35.12 C ATOM 302 C ASN A 348 75.528 38.199 76.057 1.00 31.75 C ATOM 303 O ASN A 348 75.185 39.266 76.531 1.00 32.58 O ATOM 304 CB ASN A 348 77.627 36.954 76.674 1.00 39.35 C ATOM 305 CG ASN A 348 78.368 38.293 76.687 1.00 43.83 C ATOM 306 OD1 ASN A 348 78.520 38.958 75.647 1.00 47.22 O ATOM 307 ND2 ASN A 348 78.692 38.727 77.886 1.00 44.28 N ATOM 308 N LEU A 349 75.332 37.861 74.793 1.00 29.26 N ATOM 309 CA LEU A 349 74.787 38.795 73.811 1.00 27.91 C ATOM 310 C LEU A 349 73.486 39.418 74.289 1.00 31.58 C ATOM 311 O LEU A 349 73.345 40.634 74.458 1.00 30.15 O ATOM 312 CB LEU A 349 74.719 38.088 72.472 1.00 28.75 C ATOM 313 CG LEU A 349 74.083 38.806 71.284 1.00 36.78 C ATOM 314 CD1 LEU A 349 74.865 40.076 70.945 1.00 36.43 C ATOM 315 CD2 LEU A 349 74.014 37.922 70.034 1.00 36.80 C ATOM 316 N ALA A 350 72.447 38.621 74.572 1.00 32.99 N ATOM 317 CA ALA A 350 71.158 39.047 75.016 1.00 32.50 C ATOM 318 C ALA A 350 71.244 40.028 76.184 1.00 34.81 C ATOM 319 O ALA A 350 70.514 41.032 76.293 1.00 31.47 O ATOM 320 CB ALA A 350 70.422 37.775 75.508 1.00 34.40 C ATOM 321 N ASP A 351 72.157 39.696 77.119 1.00 35.11 N ATOM 322 CA ASP A 351 72.290 40.545 78.304 1.00 36.10 C ATOM 323 C ASP A 351 72.844 41.893 77.939 1.00 35.62 C ATOM 324 O ASP A 351 72.436 42.969 78.394 1.00 38.03 O ATOM 325 CB ASP A 351 73.103 39.895 79.385 1.00 40.28 C ATOM 326 CG ASP A 351 72.367 38.694 79.969 1.00 46.03 C ATOM 327 OD1 ASP A 351 71.138 38.538 79.792 1.00 45.88 O ATOM 328 OD2 ASP A 351 73.077 37.876 80.611 1.00 50.85 O ATOM 329 N ARG A 352 73.813 41.873 77.039 1.00 34.29 N ATOM 330 CA ARG A 352 74.360 43.182 76.651 1.00 30.27 C ATOM 331 C ARG A 352 73.280 43.905 75.885 1.00 32.48 C ATOM 332 O ARG A 352 73.028 45.094 76.104 1.00 35.69 O ATOM 333 CB ARG A 352 75.659 42.934 75.942 1.00 26.80 C ATOM 334 CG ARG A 352 76.811 42.549 76.844 1.00 24.91 C ATOM 335 CD ARG A 352 78.120 42.621 76.012 1.00 25.30 C ATOM 336 NE ARG A 352 78.137 41.367 75.208 1.00 26.30 N ATOM 337 CZ ARG A 352 78.241 41.405 73.874 1.00 29.72 C ATOM 338 NH1 ARG A 352 78.339 42.587 73.220 1.00 25.50 N ATOM 339 NH2 ARG A 352 78.243 40.195 73.299 1.00 28.11 N ATOM 340 N GLU A 353 72.544 43.238 74.999 1.00 33.29 N ATOM 341 CA GLU A 353 71.499 43.911 74.219 1.00 31.62 C ATOM 342 C GLU A 353 70.418 44.405 75.151 1.00 32.31 C ATOM 343 O GLU A 353 69.862 45.515 74.941 1.00 32.80 O ATOM 344 CB GLU A 353 70.860 43.063 73.155 1.00 30.74 C ATOM 345 CG GLU A 353 71.816 42.499 72.106 1.00 30.48 C ATOM 346 CD GLU A 353 70.998 41.652 71.156 1.00 31.15 C ATOM 347 OE1 GLU A 353 70.769 40.458 71.381 1.00 34.21 O ATOM 348 OE2 GLU A 353 70.594 42.166 70.133 1.00 31.47 O ATOM 349 N LEU A 354 70.152 43.627 76.217 1.00 30.45 N ATOM 350 CA LEU A 354 69.120 44.156 77.132 1.00 33.42 C ATOM 351 C LEU A 354 69.419 45.557 77.625 1.00 33.94 C ATOM 352 O LEU A 354 68.543 46.397 77.897 1.00 35.63 O ATOM 353 CB LEU A 354 68.904 43.225 78.282 1.00 35.57 C ATOM 354 CG LEU A 354 67.721 43.584 79.202 1.00 36.55 C ATOM 355 CD1 LEU A 354 66.419 43.322 78.491 1.00 35.51 C ATOM 356 CD2 LEU A 354 67.862 42.706 80.457 1.00 34.32 C ATOM 357 N VAL A 355 70.709 45.904 77.740 1.00 34.11 N ATOM 358 CA VAL A 355 71.022 47.248 78.253 1.00 29.81 C ATOM 359 C VAL A 355 70.578 48.281 77.275 1.00 32.35 C ATOM 360 O VAL A 355 70.082 49.363 77.548 1.00 32.21 O ATOM 361 CB VAL A 355 72.503 47.337 78.606 1.00 24.96 C ATOM 362 CG1 VAL A 355 72.817 48.666 79.308 1.00 25.90 C ATOM 363 CG2 VAL A 355 72.968 46.208 79.494 1.00 19.23 C ATOM 364 N HIS A 356 70.801 48.019 75.969 1.00 35.17 N ATOM 365 CA HIS A 356 70.469 49.090 75.019 1.00 34.30 C ATOM 366 C HIS A 356 68.976 49.210 74.878 1.00 37.61 C ATOM 367 O HIS A 356 68.470 50.298 74.605 1.00 37.88 O ATOM 368 CB HIS A 356 71.119 48.696 73.700 1.00 37.14 C ATOM 369 CG HIS A 356 72.604 48.940 73.811 1.00 40.21 C ATOM 370 ND1 HIS A 356 73.150 50.199 73.687 1.00 40.55 N ATOM 371 CD2 HIS A 356 73.615 48.091 74.046 1.00 41.21 C ATOM 372 CE1 HIS A 356 74.457 50.080 73.844 1.00 42.06 C ATOM 373 NE2 HIS A 356 74.762 48.822 74.038 1.00 41.48 N ATOM 374 N MET A 357 68.298 48.067 75.070 1.00 34.83 N ATOM 375 CA MET A 357 66.873 48.010 74.942 1.00 34.72 C ATOM 376 C MET A 357 66.214 48.979 75.895 1.00 39.56 C ATOM 377 O MET A 357 65.178 49.613 75.547 1.00 41.07 O ATOM 378 CB MET A 357 66.368 46.576 75.232 1.00 35.23 C ATOM 379 CG MET A 357 64.941 46.399 74.752 1.00 32.18 C ATOM 380 SD MET A 357 64.275 44.817 75.326 1.00 34.77 S ATOM 381 CE MET A 357 65.449 43.688 74.619 1.00 34.80 C ATOM 382 N ILE A 358 66.795 49.034 77.102 1.00 38.12 N ATOM 383 CA ILE A 358 66.256 49.963 78.081 1.00 40.67 C ATOM 384 C ILE A 358 66.347 51.379 77.587 1.00 44.25 C ATOM 385 O ILE A 358 65.338 52.129 77.678 1.00 48.55 O ATOM 386 CB ILE A 358 66.916 49.765 79.451 1.00 40.93 C ATOM 387 CG1 ILE A 358 66.228 48.488 80.022 1.00 39.31 C ATOM 388 CG2 ILE A 358 66.637 50.945 80.347 1.00 39.18 C ATOM 389 CD1 ILE A 358 67.075 47.683 80.909 1.00 39.58 C ATOM 390 N ASN A 359 67.514 51.758 77.039 1.00 40.76 N ATOM 391 CA ASN A 359 67.626 53.090 76.513 1.00 40.91 C ATOM 392 C ASN A 359 66.563 53.275 75.414 1.00 39.09 C ATOM 393 O ASN A 359 66.079 54.381 75.223 1.00 42.57 O ATOM 394 CB ASN A 359 68.936 53.472 75.833 1.00 44.08 C ATOM 395 CG ASN A 359 70.118 53.378 76.729 1.00 51.07 C ATOM 396 OD1 ASN A 359 69.922 53.474 77.967 1.00 55.22 O ATOM 397 ND2 ASN A 359 71.312 53.183 76.144 1.00 50.95 N ATOM 398 N TRP A 360 66.430 52.328 74.532 1.00 36.27 N ATOM 399 CA TRP A 360 65.485 52.489 73.414 1.00 36.80 C ATOM 400 C TRP A 360 64.084 52.609 73.992 1.00 40.32 C ATOM 401 O TRP A 360 63.265 53.514 73.773 1.00 37.53 O ATOM 402 CB TRP A 360 65.706 51.293 72.489 1.00 32.87 C ATOM 403 CG TRP A 360 64.495 51.101 71.623 1.00 36.76 C ATOM 404 CD1 TRP A 360 64.249 51.724 70.450 1.00 35.10 C ATOM 405 CD2 TRP A 360 63.406 50.191 71.847 1.00 36.41 C ATOM 406 NE1 TRP A 360 63.093 51.271 69.921 1.00 35.72 N ATOM 407 CE2 TRP A 360 62.517 50.381 70.778 1.00 38.84 C ATOM 408 CE3 TRP A 360 63.083 49.270 72.848 1.00 35.46 C ATOM 409 CZ2 TRP A 360 61.270 49.707 70.703 1.00 40.31 C ATOM 410 CZ3 TRP A 360 61.888 48.580 72.776 1.00 35.51 C ATOM 411 CH2 TRP A 360 61.007 48.822 71.707 1.00 39.13 C ATOM 412 N ALA A 361 63.731 51.677 74.909 1.00 40.42 N ATOM 413 CA ALA A 361 62.394 51.784 75.480 1.00 43.31 C ATOM 414 C ALA A 361 62.074 53.205 75.921 1.00 43.29 C ATOM 415 O ALA A 361 60.935 53.682 75.778 1.00 40.16 O ATOM 416 CB ALA A 361 62.223 50.861 76.695 1.00 44.40 C ATOM 417 N LYS A 362 63.057 53.829 76.574 1.00 44.67 N ATOM 418 CA LYS A 362 62.873 55.140 77.180 1.00 44.02 C ATOM 419 C LYS A 362 62.644 56.183 76.120 1.00 44.20 C ATOM 420 O LYS A 362 62.172 57.257 76.432 1.00 46.12 O ATOM 421 CB LYS A 362 64.028 55.467 78.102 1.00 45.07 C ATOM 422 CG LYS A 362 64.099 54.601 79.360 1.00 45.39 C ATOM 423 CD LYS A 362 63.760 55.450 80.584 1.00 50.39 C ATOM 424 CE LYS A 362 63.073 54.690 81.677 1.00 54.46 C ATOM 425 NZ LYS A 362 62.697 55.356 82.942 1.00 53.54 N ATOM 426 N ARG A 363 62.896 55.918 74.859 1.00 46.04 N ATOM 427 CA ARG A 363 62.666 56.783 73.735 1.00 48.68 C ATOM 428 C ARG A 363 61.350 56.466 72.999 1.00 49.08 C ATOM 429 O ARG A 363 60.941 57.054 71.977 1.00 48.73 O ATOM 430 CB ARG A 363 63.836 56.643 72.757 1.00 53.32 C ATOM 431 CG ARG A 363 64.902 57.723 72.904 1.00 60.34 C ATOM 432 CD ARG A 363 65.590 57.624 74.196 1.00 67.72 C ATOM 433 NE ARG A 363 66.977 58.048 74.319 1.00 76.52 N ATOM 434 CZ ARG A 363 67.729 57.640 75.369 1.00 80.50 C ATOM 435 NH1 ARG A 363 67.200 56.818 76.279 1.00 78.18 N ATOM 436 NH2 ARG A 363 69.002 58.051 75.459 1.00 84.83 N ATOM 437 N VAL A 364 60.623 55.453 73.448 1.00 45.49 N ATOM 438 CA VAL A 364 59.402 55.065 72.769 1.00 47.12 C ATOM 439 C VAL A 364 58.270 55.938 73.227 1.00 52.70 C ATOM 440 O VAL A 364 57.817 55.984 74.385 1.00 55.07 O ATOM 441 CB VAL A 364 59.234 53.557 72.909 1.00 43.20 C ATOM 442 CG1 VAL A 364 58.013 52.972 72.279 1.00 40.68 C ATOM 443 CG2 VAL A 364 60.476 52.960 72.224 1.00 44.16 C ATOM 444 N PRO A 365 57.746 56.755 72.334 1.00 56.52 N ATOM 445 CA PRO A 365 56.660 57.676 72.630 1.00 55.71 C ATOM 446 C PRO A 365 55.631 57.068 73.527 1.00 57.16 C ATOM 447 O PRO A 365 55.000 56.063 73.202 1.00 59.56 O ATOM 448 CB PRO A 365 56.078 58.059 71.257 1.00 56.19 C ATOM 449 CG PRO A 365 57.446 58.203 70.542 1.00 58.84 C ATOM 450 CD PRO A 365 58.160 56.882 70.922 1.00 58.70 C ATOM 451 N GLY A 366 55.450 57.650 74.711 1.00 58.05 N ATOM 452 CA GLY A 366 54.426 57.130 75.628 1.00 56.39 C ATOM 453 C GLY A 366 55.063 56.367 76.771 1.00 56.65 C ATOM 454 O GLY A 366 54.553 56.398 77.893 1.00 56.35 O ATOM 455 N PHE A 367 56.197 55.701 76.480 1.00 54.46 N ATOM 456 CA PHE A 367 56.848 54.870 77.461 1.00 49.74 C ATOM 457 C PHE A 367 57.198 55.574 78.738 1.00 49.68 C ATOM 458 O PHE A 367 56.884 55.121 79.814 1.00 51.83 O ATOM 459 CB PHE A 367 58.152 54.252 76.951 1.00 46.86 C ATOM 460 CG PHE A 367 58.531 53.053 77.781 1.00 43.25 C ATOM 461 CD1 PHE A 367 57.785 51.876 77.698 1.00 42.05 C ATOM 462 CD2 PHE A 367 59.593 53.110 78.639 1.00 40.49 C ATOM 463 CE1 PHE A 367 58.186 50.742 78.377 1.00 39.55 C ATOM 464 CE2 PHE A 367 59.962 51.999 79.388 1.00 41.57 C ATOM 465 CZ PHE A 367 59.241 50.822 79.270 1.00 41.29 C ATOM 466 N VAL A 368 57.867 56.700 78.636 1.00 52.26 N ATOM 467 CA VAL A 368 58.277 57.398 79.845 1.00 55.10 C ATOM 468 C VAL A 368 57.222 58.255 80.487 1.00 57.40 C ATOM 469 O VAL A 368 57.476 58.969 81.463 1.00 60.79 O ATOM 470 CB VAL A 368 59.634 58.077 79.667 1.00 55.67 C ATOM 471 CG1 VAL A 368 59.548 59.445 79.052 1.00 54.03 C ATOM 472 CG2 VAL A 368 60.346 58.041 81.021 1.00 57.90 C ATOM 473 N ASP A 369 55.977 58.178 80.074 1.00 59.67 N ATOM 474 CA ASP A 369 54.828 58.794 80.705 1.00 60.47 C ATOM 475 C ASP A 369 54.346 57.792 81.755 1.00 59.94 C ATOM 476 O ASP A 369 53.766 58.144 82.766 1.00 65.43 O ATOM 477 CB ASP A 369 53.690 59.040 79.724 1.00 64.16 C ATOM 478 CG ASP A 369 54.038 60.056 78.677 1.00 67.29 C ATOM 479 OD1 ASP A 369 54.913 60.914 78.918 1.00 72.50 O ATOM 480 OD2 ASP A 369 53.470 60.041 77.578 1.00 70.43 O ATOM 481 N LEU A 370 54.608 56.510 81.531 1.00 57.33 N ATOM 482 CA LEU A 370 54.194 55.517 82.497 1.00 56.12 C ATOM 483 C LEU A 370 55.117 55.633 83.719 1.00 57.05 C ATOM 484 O LEU A 370 56.171 56.228 83.643 1.00 58.40 O ATOM 485 CB LEU A 370 54.224 54.086 82.012 1.00 53.92 C ATOM 486 CG LEU A 370 53.750 53.771 80.597 1.00 51.91 C ATOM 487 CD1 LEU A 370 54.145 52.344 80.254 1.00 49.81 C ATOM 488 CD2 LEU A 370 52.260 53.992 80.522 1.00 51.85 C ATOM 489 N THR A 371 54.648 55.068 84.805 1.00 57.19 N ATOM 490 CA THR A 371 55.305 54.930 86.062 1.00 54.21 C ATOM 491 C THR A 371 56.361 53.825 85.887 1.00 56.67 C ATOM 492 O THR A 371 56.131 52.858 85.158 1.00 55.41 O ATOM 493 CB THR A 371 54.330 54.430 87.151 1.00 52.32 C ATOM 494 OG1 THR A 371 53.969 53.073 86.858 1.00 51.61 O ATOM 495 CG2 THR A 371 53.092 55.292 87.182 1.00 52.01 C ATOM 496 N LEU A 372 57.455 53.969 86.615 1.00 57.36 N ATOM 497 CA LEU A 372 58.566 53.062 86.620 1.00 58.29 C ATOM 498 C LEU A 372 58.120 51.623 86.694 1.00 60.17 C ATOM 499 O LEU A 372 58.503 50.771 85.878 1.00 63.49 O ATOM 500 CB LEU A 372 59.497 53.427 87.759 1.00 57.98 C ATOM 501 CG LEU A 372 60.669 52.498 88.043 1.00 59.29 C ATOM 502 CD1 LEU A 372 61.657 52.449 86.860 1.00 56.28 C ATOM 503 CD2 LEU A 372 61.371 52.966 89.312 1.00 58.46 C ATOM 504 N HIS A 373 57.266 51.300 87.638 1.00 63.16 N ATOM 505 CA HIS A 373 56.736 49.927 87.758 1.00 65.55 C ATOM 506 C HIS A 373 55.954 49.441 86.539 1.00 57.99 C ATOM 507 O HIS A 373 56.039 48.257 86.199 1.00 54.67 O ATOM 508 CB HIS A 373 55.946 49.829 89.074 1.00 69.47 C ATOM 509 CG AHIS A 373 54.720 49.000 88.987 0.50 73.73 C ATOM 510 CG BHIS A 373 56.788 50.250 90.240 0.50 73.05 C ATOM 511 ND1AHIS A 373 53.503 49.559 88.628 0.50 76.61 N ATOM 512 ND1BHIS A 373 57.746 49.436 90.821 0.50 73.59 N ATOM 513 CD2AHIS A 373 54.497 47.674 89.164 0.50 74.74 C ATOM 514 CD2BHIS A 373 56.824 51.436 90.897 0.50 73.60 C ATOM 515 CE1AHIS A 373 52.587 48.602 88.589 0.50 76.98 C ATOM 516 CE1BHIS A 373 58.323 50.101 91.800 0.50 74.02 C ATOM 517 NE2AHIS A 373 53.168 47.451 88.911 0.50 75.88 N ATOM 518 NE2BHIS A 373 57.785 51.306 91.873 0.50 74.59 N ATOM 519 N ASP A 374 55.238 50.282 85.826 1.00 51.93 N ATOM 520 CA ASP A 374 54.551 49.869 84.597 1.00 51.38 C ATOM 521 C ASP A 374 55.515 49.657 83.442 1.00 48.48 C ATOM 522 O ASP A 374 55.319 48.767 82.638 1.00 44.30 O ATOM 523 CB ASP A 374 53.450 50.853 84.249 1.00 50.24 C ATOM 524 CG ASP A 374 52.230 50.420 85.062 1.00 52.68 C ATOM 525 OD1 ASP A 374 52.218 49.208 85.463 1.00 51.70 O ATOM 526 OD2 ASP A 374 51.373 51.283 85.253 1.00 53.06 O ATOM 527 N GLN A 375 56.573 50.488 83.455 1.00 45.36 N ATOM 528 CA GLN A 375 57.656 50.360 82.495 1.00 41.61 C ATOM 529 C GLN A 375 58.283 48.993 82.695 1.00 39.41 C ATOM 530 O GLN A 375 58.336 48.206 81.773 1.00 41.05 O ATOM 531 CB GLN A 375 58.722 51.381 82.876 1.00 41.76 C ATOM 532 CG GLN A 375 58.141 52.753 82.526 1.00 45.94 C ATOM 533 CD GLN A 375 59.172 53.861 82.496 1.00 43.23 C ATOM 534 OE1 GLN A 375 60.348 53.687 82.769 1.00 43.50 O ATOM 535 NE2 GLN A 375 58.662 55.017 82.109 1.00 42.26 N ATOM 536 N VAL A 376 58.641 48.685 83.938 1.00 36.73 N ATOM 537 CA VAL A 376 59.196 47.368 84.224 1.00 37.97 C ATOM 538 C VAL A 376 58.282 46.277 83.719 1.00 41.67 C ATOM 539 O VAL A 376 58.716 45.290 83.122 1.00 45.19 O ATOM 540 CB VAL A 376 59.469 47.195 85.731 1.00 35.47 C ATOM 541 CG1 VAL A 376 59.965 45.806 86.083 1.00 30.36 C ATOM 542 CG2 VAL A 376 60.478 48.183 86.231 1.00 33.53 C ATOM 543 N HIS A 377 56.969 46.410 83.927 1.00 44.51 N ATOM 544 CA HIS A 377 56.027 45.407 83.467 1.00 46.78 C ATOM 545 C HIS A 377 56.050 45.247 81.960 1.00 42.12 C ATOM 546 O HIS A 377 56.204 44.128 81.478 1.00 40.13 O ATOM 547 CB HIS A 377 54.614 45.523 84.024 1.00 55.12 C ATOM 548 CG AHIS A 377 54.584 45.136 85.476 0.50 58.91 C ATOM 549 CG BHIS A 377 53.722 44.380 83.605 0.50 62.01 C ATOM 550 ND1AHIS A 377 54.578 46.053 86.503 0.50 62.18 N ATOM 551 ND1BHIS A 377 52.391 44.275 83.949 0.50 63.95 N ATOM 552 CD2AHIS A 377 54.630 43.920 86.064 0.50 60.71 C ATOM 553 CD2BHIS A 377 53.959 43.265 82.854 0.50 65.09 C ATOM 554 CE1AHIS A 377 54.592 45.421 87.664 0.50 63.07 C ATOM 555 CE1BHIS A 377 51.870 43.175 83.442 0.50 64.35 C ATOM 556 NE2AHIS A 377 54.617 44.116 87.425 0.50 62.25 N ATOM 557 NE2BHIS A 377 52.805 42.538 82.765 0.50 65.59 N ATOM 558 N LEU A 378 55.875 46.306 81.194 1.00 40.05 N ATOM 559 CA LEU A 378 56.069 46.198 79.753 1.00 37.29 C ATOM 560 C LEU A 378 57.391 45.520 79.441 1.00 38.78 C ATOM 561 O LEU A 378 57.419 44.461 78.742 1.00 36.97 O ATOM 562 CB LEU A 378 55.891 47.583 79.166 1.00 35.55 C ATOM 563 CG LEU A 378 54.472 48.193 79.308 1.00 35.81 C ATOM 564 CD1 LEU A 378 54.392 49.470 78.484 1.00 30.30 C ATOM 565 CD2 LEU A 378 53.362 47.280 78.812 1.00 31.78 C ATOM 566 N LEU A 379 58.553 45.941 79.947 1.00 37.44 N ATOM 567 CA LEU A 379 59.758 45.222 79.522 1.00 38.20 C ATOM 568 C LEU A 379 59.791 43.802 79.976 1.00 37.44 C ATOM 569 O LEU A 379 60.111 42.892 79.212 1.00 40.19 O ATOM 570 CB LEU A 379 61.058 45.907 79.913 1.00 39.04 C ATOM 571 CG LEU A 379 61.325 47.100 79.006 1.00 39.22 C ATOM 572 CD1 LEU A 379 62.112 48.158 79.710 1.00 42.38 C ATOM 573 CD2 LEU A 379 62.004 46.589 77.765 1.00 41.99 C ATOM 574 N GLU A 380 59.450 43.551 81.214 1.00 40.36 N ATOM 575 CA GLU A 380 59.453 42.181 81.682 1.00 41.72 C ATOM 576 C GLU A 380 58.810 41.256 80.662 1.00 43.73 C ATOM 577 O GLU A 380 59.412 40.219 80.382 1.00 44.30 O ATOM 578 CB GLU A 380 58.749 42.072 83.019 1.00 44.70 C ATOM 579 CG GLU A 380 59.462 40.967 83.836 1.00 54.40 C ATOM 580 CD GLU A 380 58.603 40.469 84.968 1.00 59.95 C ATOM 581 OE1 GLU A 380 57.640 41.190 85.359 1.00 64.57 O ATOM 582 OE2 GLU A 380 58.858 39.364 85.491 1.00 62.18 O HETATM 583 N CCS A 381 57.620 41.585 80.171 1.00 40.13 N HETATM 584 CA CCS A 381 56.913 40.781 79.214 1.00 43.11 C HETATM 585 CB CCS A 381 55.444 41.227 79.248 1.00 51.91 C HETATM 586 SG ACCS A 381 54.415 40.723 80.635 0.50 58.51 S HETATM 587 SG BCCS A 381 54.457 40.510 80.604 0.50 56.75 S HETATM 588 CD ACCS A 381 53.947 39.074 80.147 0.50 58.57 C HETATM 589 CD BCCS A 381 54.097 38.891 79.955 0.50 57.13 C HETATM 590 CE ACCS A 381 54.836 38.076 80.880 0.50 61.38 C HETATM 591 CE BCCS A 381 53.677 39.033 78.515 0.50 59.49 C HETATM 592 OZ1ACCS A 381 55.146 37.147 79.993 0.50 61.86 O HETATM 593 OZ1BCCS A 381 53.836 37.907 77.866 0.50 65.26 O HETATM 594 OZ2ACCS A 381 55.161 38.225 82.036 0.50 62.16 O HETATM 595 OZ2BCCS A 381 53.285 40.058 78.041 0.50 58.80 O HETATM 596 C CCS A 381 57.398 40.814 77.770 1.00 41.34 C HETATM 597 O CCS A 381 57.371 39.795 77.080 1.00 37.54 O ATOM 598 N ALA A 382 57.838 41.858 77.157 1.00 38.84 N ATOM 599 CA ALA A 382 58.257 42.011 75.817 1.00 40.08 C ATOM 600 C ALA A 382 59.715 41.782 75.473 1.00 40.25 C ATOM 601 O ALA A 382 59.985 41.601 74.285 1.00 38.99 O ATOM 602 CB ALA A 382 58.042 43.529 75.430 1.00 39.43 C ATOM 603 N TRP A 383 60.614 41.752 76.463 1.00 39.37 N ATOM 604 CA TRP A 383 62.029 41.668 76.112 1.00 34.09 C ATOM 605 C TRP A 383 62.359 40.622 75.103 1.00 31.78 C ATOM 606 O TRP A 383 63.015 40.905 74.096 1.00 32.20 O ATOM 607 CB TRP A 383 62.859 41.672 77.383 1.00 35.92 C ATOM 608 CG TRP A 383 62.819 40.332 78.083 1.00 36.18 C ATOM 609 CD1 TRP A 383 61.988 39.877 79.045 1.00 33.74 C ATOM 610 CD2 TRP A 383 63.738 39.252 77.793 1.00 32.73 C ATOM 611 NE1 TRP A 383 62.314 38.588 79.374 1.00 31.23 N ATOM 612 CE2 TRP A 383 63.379 38.189 78.617 1.00 31.78 C ATOM 613 CE3 TRP A 383 64.791 39.129 76.910 1.00 33.23 C ATOM 614 CZ2 TRP A 383 64.065 36.985 78.590 1.00 34.54 C ATOM 615 CZ3 TRP A 383 65.487 37.948 76.872 1.00 37.35 C ATOM 616 CH2 TRP A 383 65.114 36.888 77.709 1.00 39.46 C ATOM 617 N LEU A 384 61.904 39.399 75.220 1.00 32.57 N ATOM 618 CA LEU A 384 62.253 38.338 74.291 1.00 31.20 C ATOM 619 C LEU A 384 61.644 38.543 72.923 1.00 33.24 C ATOM 620 O LEU A 384 62.338 38.321 71.921 1.00 36.36 O ATOM 621 CB LEU A 384 61.901 36.984 74.846 1.00 30.65 C ATOM 622 CG LEU A 384 62.520 35.799 74.124 1.00 34.98 C ATOM 623 CD1 LEU A 384 64.011 35.983 73.843 1.00 36.19 C ATOM 624 CD2 LEU A 384 62.277 34.525 74.920 1.00 33.80 C ATOM 625 N GLU A 385 60.426 39.016 72.851 1.00 31.93 N ATOM 626 CA GLU A 385 59.761 39.353 71.602 1.00 33.94 C ATOM 627 C GLU A 385 60.602 40.397 70.858 1.00 32.22 C ATOM 628 O GLU A 385 60.817 40.376 69.660 1.00 33.72 O ATOM 629 CB GLU A 385 58.370 39.960 71.823 1.00 35.67 C ATOM 630 CG GLU A 385 57.399 39.108 72.631 1.00 38.33 C ATOM 631 CD GLU A 385 55.994 39.641 72.528 1.00 40.58 C ATOM 632 OE1 GLU A 385 55.547 39.798 71.400 1.00 40.46 O ATOM 633 OE2 GLU A 385 55.290 39.935 73.508 1.00 46.27 O ATOM 634 N ILE A 386 61.074 41.363 71.631 1.00 33.24 N ATOM 635 CA ILE A 386 61.890 42.428 71.095 1.00 34.08 C ATOM 636 C ILE A 386 63.252 41.946 70.640 1.00 32.42 C ATOM 637 O ILE A 386 63.662 42.262 69.535 1.00 30.26 O ATOM 638 CB ILE A 386 61.988 43.548 72.115 1.00 36.86 C ATOM 639 CG1 ILE A 386 60.540 44.052 72.312 1.00 34.58 C ATOM 640 CG2 ILE A 386 62.928 44.623 71.558 1.00 34.85 C ATOM 641 CD1 ILE A 386 60.405 45.082 73.399 1.00 35.95 C ATOM 642 N LEU A 387 63.928 41.081 71.387 1.00 28.96 N ATOM 643 CA LEU A 387 65.174 40.562 70.881 1.00 29.61 C ATOM 644 C LEU A 387 64.858 39.779 69.603 1.00 32.09 C ATOM 645 O LEU A 387 65.705 39.742 68.698 1.00 34.46 O ATOM 646 CB LEU A 387 65.889 39.569 71.835 1.00 27.75 C ATOM 647 CG LEU A 387 66.424 40.175 73.143 1.00 26.77 C ATOM 648 CD1 LEU A 387 67.288 39.131 73.866 1.00 23.67 C ATOM 649 CD2 LEU A 387 67.178 41.469 72.900 1.00 20.60 C ATOM 650 N MET A 388 63.715 39.109 69.599 1.00 31.37 N ATOM 651 CA MET A 388 63.407 38.271 68.455 1.00 32.11 C ATOM 652 C MET A 388 63.050 39.074 67.251 1.00 34.52 C ATOM 653 O MET A 388 63.618 38.897 66.152 1.00 39.16 O ATOM 654 CB MET A 388 62.369 37.292 68.899 1.00 35.14 C ATOM 655 CG MET A 388 62.997 36.132 69.696 1.00 34.54 C ATOM 656 SD MET A 388 61.579 35.037 70.144 1.00 31.08 S ATOM 657 CE MET A 388 62.630 33.726 70.818 1.00 28.15 C ATOM 658 N ILE A 389 62.163 40.064 67.378 1.00 31.76 N ATOM 659 CA ILE A 389 61.937 40.845 66.157 1.00 28.08 C ATOM 660 C ILE A 389 63.220 41.450 65.674 1.00 27.99 C ATOM 661 O ILE A 389 63.340 41.443 64.445 1.00 33.28 O ATOM 662 CB ILE A 389 60.741 41.789 66.277 1.00 29.02 C ATOM 663 CG1 ILE A 389 60.019 41.955 64.912 1.00 24.45 C ATOM 664 CG2 ILE A 389 61.094 43.043 67.005 1.00 24.35 C ATOM 665 CD1 ILE A 389 59.099 43.122 64.867 1.00 25.54 C ATOM 666 N GLY A 390 64.202 41.873 66.409 1.00 31.34 N ATOM 667 CA GLY A 390 65.489 42.435 65.959 1.00 32.81 C ATOM 668 C GLY A 390 66.289 41.365 65.202 1.00 37.06 C ATOM 669 O GLY A 390 66.893 41.578 64.121 1.00 34.61 O ATOM 670 N LEU A 391 66.214 40.147 65.760 1.00 36.24 N ATOM 671 CA LEU A 391 66.917 39.020 65.149 1.00 37.58 C ATOM 672 C LEU A 391 66.366 38.746 63.762 1.00 38.13 C ATOM 673 O LEU A 391 66.998 38.644 62.734 1.00 41.32 O ATOM 674 CB LEU A 391 66.696 37.733 65.989 1.00 34.64 C ATOM 675 CG LEU A 391 67.358 36.473 65.437 1.00 34.89 C ATOM 676 CD1 LEU A 391 68.884 36.663 65.425 1.00 32.05 C ATOM 677 CD2 LEU A 391 67.013 35.204 66.176 1.00 30.69 C ATOM 678 N VAL A 392 65.052 38.598 63.715 1.00 37.28 N ATOM 679 CA VAL A 392 64.396 38.272 62.452 1.00 35.17 C ATOM 680 C VAL A 392 64.699 39.339 61.446 1.00 36.85 C ATOM 681 O VAL A 392 65.135 39.107 60.309 1.00 35.69 O ATOM 682 CB VAL A 392 62.905 38.051 62.725 1.00 31.86 C ATOM 683 CG1 VAL A 392 62.145 38.115 61.450 1.00 33.20 C ATOM 684 CG2 VAL A 392 62.744 36.672 63.376 1.00 29.17 C ATOM 685 N TRP A 393 64.502 40.589 61.879 1.00 38.90 N ATOM 686 CA TRP A 393 64.798 41.685 60.919 1.00 40.63 C ATOM 687 C TRP A 393 66.238 41.713 60.430 1.00 41.64 C ATOM 688 O TRP A 393 66.577 41.830 59.234 1.00 42.66 O ATOM 689 CB TRP A 393 64.334 42.968 61.524 1.00 36.63 C ATOM 690 CG TRP A 393 64.978 44.145 60.878 1.00 41.40 C ATOM 691 CD1 TRP A 393 66.133 44.745 61.230 1.00 42.92 C ATOM 692 CD2 TRP A 393 64.442 44.911 59.802 1.00 44.52 C ATOM 693 NE1 TRP A 393 66.348 45.849 60.435 1.00 43.05 N ATOM 694 CE2 TRP A 393 65.340 45.971 59.552 1.00 44.85 C ATOM 695 CE3 TRP A 393 63.273 44.834 59.038 1.00 46.64 C ATOM 696 CZ2 TRP A 393 65.125 46.909 58.530 1.00 47.52 C ATOM 697 CZ3 TRP A 393 63.050 45.763 58.042 1.00 46.72 C ATOM 698 CH2 TRP A 393 63.976 46.788 57.787 1.00 46.56 C ATOM 699 N ARG A 394 67.241 41.531 61.306 1.00 41.14 N ATOM 700 CA ARG A 394 68.609 41.594 60.787 1.00 38.26 C ATOM 701 C ARG A 394 69.005 40.350 60.060 1.00 40.13 C ATOM 702 O ARG A 394 70.050 40.371 59.402 1.00 44.10 O ATOM 703 CB ARG A 394 69.669 42.039 61.742 1.00 36.59 C ATOM 704 CG ARG A 394 70.204 41.076 62.746 1.00 34.20 C ATOM 705 CD ARG A 394 70.465 41.819 64.103 1.00 28.97 C ATOM 706 NE ARG A 394 70.926 40.678 65.024 1.00 28.34 N ATOM 707 CZ ARG A 394 70.320 40.727 66.245 1.00 27.62 C ATOM 708 NH1 ARG A 394 69.464 41.713 66.453 1.00 19.82 N ATOM 709 NH2 ARG A 394 70.587 39.885 67.213 1.00 25.67 N ATOM 710 N SER A 395 68.208 39.318 60.111 1.00 41.76 N ATOM 711 CA SER A 395 68.452 38.051 59.429 1.00 38.35 C ATOM 712 C SER A 395 67.806 38.064 58.044 1.00 42.96 C ATOM 713 O SER A 395 68.042 37.142 57.249 1.00 43.79 O ATOM 714 CB SER A 395 67.787 36.988 60.304 1.00 33.00 C ATOM 715 OG SER A 395 68.581 36.712 61.393 1.00 32.59 O ATOM 716 N MET A 396 66.920 39.018 57.733 1.00 46.08 N ATOM 717 CA MET A 396 66.241 39.028 56.474 1.00 52.16 C ATOM 718 C MET A 396 67.080 38.719 55.245 1.00 55.78 C ATOM 719 O MET A 396 66.630 38.021 54.347 1.00 58.39 O ATOM 720 CB MET A 396 65.692 40.431 56.132 1.00 52.31 C ATOM 721 CG MET A 396 64.582 40.764 57.105 1.00 56.91 C ATOM 722 SD MET A 396 63.629 42.054 56.328 1.00 63.07 S ATOM 723 CE MET A 396 64.823 43.416 56.452 1.00 64.89 C ATOM 724 N GLU A 397 68.248 39.308 55.134 1.00 60.31 N ATOM 725 CA GLU A 397 69.084 39.092 53.953 1.00 64.28 C ATOM 726 C GLU A 397 70.057 37.952 54.074 1.00 65.23 C ATOM 727 O GLU A 397 71.096 37.919 53.392 1.00 67.51 O ATOM 728 CB GLU A 397 69.836 40.417 53.676 1.00 63.51 C ATOM 729 CG GLU A 397 68.932 41.412 52.969 1.00 63.47 C ATOM 730 N HIS A 398 69.810 36.962 54.918 1.00 62.92 N ATOM 731 CA HIS A 398 70.655 35.813 55.141 1.00 61.99 C ATOM 732 C HIS A 398 69.769 34.568 55.190 1.00 63.69 C ATOM 733 O HIS A 398 69.650 33.874 56.210 1.00 64.15 O ATOM 734 CB HIS A 398 71.494 35.908 56.435 1.00 60.76 C ATOM 735 CG HIS A 398 72.350 37.130 56.441 1.00 62.00 C ATOM 736 ND1 HIS A 398 73.602 37.138 55.871 1.00 62.89 N ATOM 737 CD2 HIS A 398 72.159 38.382 56.907 1.00 63.78 C ATOM 738 CE1 HIS A 398 74.136 38.343 55.996 1.00 63.12 C ATOM 739 NE2 HIS A 398 73.287 39.130 56.626 1.00 63.82 N ATOM 740 N PRO A 399 69.118 34.298 54.072 1.00 64.36 N ATOM 741 CA PRO A 399 68.245 33.161 53.880 1.00 63.44 C ATOM 742 C PRO A 399 68.777 31.873 54.445 1.00 62.06 C ATOM 743 O PRO A 399 69.878 31.459 54.055 1.00 66.41 O ATOM 744 CB PRO A 399 68.065 32.967 52.358 1.00 66.29 C ATOM 745 CG PRO A 399 68.811 34.124 51.755 1.00 67.27 C ATOM 746 CD PRO A 399 69.294 35.045 52.821 1.00 65.41 C ATOM 747 N GLY A 400 68.081 31.209 55.340 1.00 59.48 N ATOM 748 CA GLY A 400 68.581 29.943 55.883 1.00 58.66 C ATOM 749 C GLY A 400 69.420 30.084 57.129 1.00 59.22 C ATOM 750 O GLY A 400 69.649 29.125 57.892 1.00 57.75 O ATOM 751 N LYS A 401 69.779 31.333 57.419 1.00 60.49 N ATOM 752 CA LYS A 401 70.647 31.575 58.580 1.00 61.65 C ATOM 753 C LYS A 401 70.064 32.683 59.437 1.00 59.45 C ATOM 754 O LYS A 401 69.238 33.473 58.937 1.00 60.63 O ATOM 755 CB LYS A 401 71.995 31.976 57.973 1.00 67.13 C ATOM 756 CG LYS A 401 72.926 30.812 57.630 1.00 72.43 C ATOM 757 CD LYS A 401 74.002 31.223 56.630 1.00 75.81 C ATOM 758 CE LYS A 401 74.975 30.083 56.376 1.00 78.81 C ATOM 759 NZ LYS A 401 76.395 30.528 56.184 1.00 80.22 N ATOM 760 N LEU A 402 70.423 32.708 60.711 1.00 52.61 N ATOM 761 CA LEU A 402 70.066 33.765 61.639 1.00 45.10 C ATOM 762 C LEU A 402 71.344 34.513 62.075 1.00 43.73 C ATOM 763 O LEU A 402 72.298 33.996 62.654 1.00 39.37 O ATOM 764 CB LEU A 402 69.399 33.237 62.909 1.00 42.38 C ATOM 765 CG LEU A 402 68.120 32.435 62.728 1.00 39.82 C ATOM 766 CD1 LEU A 402 67.769 31.650 63.986 1.00 39.53 C ATOM 767 CD2 LEU A 402 66.993 33.374 62.319 1.00 39.35 C ATOM 768 N LEU A 403 71.300 35.810 61.904 1.00 42.24 N ATOM 769 CA LEU A 403 72.268 36.780 62.299 1.00 40.59 C ATOM 770 C LEU A 403 72.049 37.247 63.735 1.00 41.66 C ATOM 771 O LEU A 403 71.713 38.394 64.144 1.00 41.67 O ATOM 772 CB LEU A 403 72.238 37.958 61.311 1.00 42.13 C ATOM 773 CG LEU A 403 73.447 38.895 61.429 1.00 46.14 C ATOM 774 CD1 LEU A 403 74.639 38.172 60.823 1.00 49.15 C ATOM 775 CD2 LEU A 403 73.227 40.203 60.714 1.00 49.49 C ATOM 776 N PHE A 404 72.408 36.321 64.654 1.00 40.36 N ATOM 777 CA PHE A 404 72.406 36.715 66.070 1.00 41.94 C ATOM 778 C PHE A 404 73.318 37.929 66.247 1.00 41.94 C ATOM 779 O PHE A 404 72.974 38.820 66.991 1.00 42.90 O ATOM 780 CB PHE A 404 72.843 35.598 66.931 1.00 42.78 C ATOM 781 CG PHE A 404 71.768 34.592 67.146 1.00 43.78 C ATOM 782 CD1 PHE A 404 70.810 34.769 68.112 1.00 44.40 C ATOM 783 CD2 PHE A 404 71.748 33.445 66.381 1.00 46.28 C ATOM 784 CE1 PHE A 404 69.841 33.791 68.313 1.00 43.91 C ATOM 785 CE2 PHE A 404 70.771 32.465 66.574 1.00 44.73 C ATOM 786 CZ PHE A 404 69.833 32.653 67.543 1.00 43.94 C ATOM 787 N ALA A 405 74.436 37.946 65.571 1.00 42.52 N ATOM 788 CA ALA A 405 75.370 39.061 65.568 1.00 42.15 C ATOM 789 C ALA A 405 76.167 38.912 64.249 1.00 43.61 C ATOM 790 O ALA A 405 76.106 37.832 63.651 1.00 45.81 O ATOM 791 CB ALA A 405 76.301 39.170 66.715 1.00 39.38 C ATOM 792 N PRO A 406 76.861 39.956 63.875 1.00 40.72 N ATOM 793 CA PRO A 406 77.624 39.995 62.645 1.00 40.43 C ATOM 794 C PRO A 406 78.662 38.899 62.665 1.00 44.15 C ATOM 795 O PRO A 406 78.908 38.153 61.706 1.00 46.52 O ATOM 796 CB PRO A 406 78.192 41.408 62.548 1.00 39.43 C ATOM 797 CG PRO A 406 77.309 42.186 63.509 1.00 38.57 C ATOM 798 CD PRO A 406 76.899 41.234 64.592 1.00 38.37 C ATOM 799 N ASN A 407 79.299 38.719 63.824 1.00 45.92 N ATOM 800 CA ASN A 407 80.292 37.685 63.991 1.00 47.14 C ATOM 801 C ASN A 407 79.688 36.384 64.518 1.00 47.74 C ATOM 802 O ASN A 407 80.540 35.607 64.997 1.00 49.51 O ATOM 803 CB ASN A 407 81.401 38.056 64.970 1.00 49.67 C ATOM 804 CG ASN A 407 80.967 38.449 66.364 1.00 48.87 C ATOM 805 OD1 ASN A 407 79.848 38.858 66.629 1.00 47.25 O ATOM 806 ND2 ASN A 407 81.904 38.361 67.311 1.00 46.89 N ATOM 807 N LEU A 408 78.395 36.163 64.444 1.00 43.98 N ATOM 808 CA LEU A 408 77.840 34.907 64.942 1.00 44.28 C ATOM 809 C LEU A 408 76.574 34.578 64.137 1.00 48.56 C ATOM 810 O LEU A 408 75.483 34.720 64.657 1.00 50.61 O ATOM 811 CB LEU A 408 77.399 35.004 66.412 1.00 41.78 C ATOM 812 CG LEU A 408 76.965 33.709 67.060 1.00 37.59 C ATOM 813 CD1 LEU A 408 77.962 32.592 66.735 1.00 42.03 C ATOM 814 CD2 LEU A 408 76.774 33.777 68.536 1.00 37.24 C ATOM 815 N LEU A 409 76.739 34.248 62.895 1.00 50.15 N ATOM 816 CA LEU A 409 75.691 33.915 61.969 1.00 53.65 C ATOM 817 C LEU A 409 75.440 32.418 61.915 1.00 55.29 C ATOM 818 O LEU A 409 76.158 31.729 61.190 1.00 59.32 O ATOM 819 CB LEU A 409 76.154 34.481 60.614 1.00 52.50 C ATOM 820 CG LEU A 409 75.026 34.637 59.601 1.00 54.30 C ATOM 821 CD1 LEU A 409 75.459 35.371 58.345 1.00 54.05 C ATOM 822 CD2 LEU A 409 74.550 33.227 59.271 1.00 53.81 C ATOM 823 N LEU A 410 74.481 31.871 62.624 1.00 55.42 N ATOM 824 CA LEU A 410 74.215 30.453 62.637 1.00 58.30 C ATOM 825 C LEU A 410 73.123 29.988 61.713 1.00 61.42 C ATOM 826 O LEU A 410 72.240 30.726 61.277 1.00 62.98 O ATOM 827 CB LEU A 410 73.896 30.029 64.080 1.00 60.54 C ATOM 828 CG LEU A 410 74.877 30.535 65.147 1.00 61.88 C ATOM 829 CD1 LEU A 410 74.560 30.031 66.548 1.00 60.79 C ATOM 830 CD2 LEU A 410 76.283 30.133 64.745 1.00 62.85 C ATOM 831 N ASP A 411 73.124 28.703 61.379 1.00 64.97 N ATOM 832 CA ASP A 411 72.121 28.133 60.480 1.00 68.11 C ATOM 833 C ASP A 411 71.349 27.042 61.208 1.00 70.80 C ATOM 834 O ASP A 411 71.717 26.692 62.323 1.00 68.64 O ATOM 835 CB ASP A 411 72.772 27.554 59.224 1.00 66.57 C ATOM 836 CG ASP A 411 73.750 26.453 59.578 1.00 67.45 C ATOM 837 OD1 ASP A 411 73.421 25.590 60.428 1.00 67.96 O ATOM 838 OD2 ASP A 411 74.874 26.446 59.021 1.00 67.41 O ATOM 839 N ARG A 412 70.306 26.527 60.583 1.00 78.02 N ATOM 840 CA ARG A 412 69.449 25.494 61.180 1.00 83.69 C ATOM 841 C ARG A 412 70.221 24.459 61.971 1.00 83.75 C ATOM 842 O ARG A 412 69.998 24.217 63.162 1.00 81.46 O ATOM 843 CB ARG A 412 68.604 24.859 60.063 1.00 88.30 C ATOM 844 CG ARG A 412 67.453 23.982 60.525 1.00 95.09 C ATOM 845 CD ARG A 412 67.522 22.612 59.901 1.00101.21 C ATOM 846 NE ARG A 412 67.033 21.492 60.685 1.00106.04 N ATOM 847 CZ ARG A 412 67.081 20.221 60.269 1.00109.24 C ATOM 848 NH1 ARG A 412 67.593 19.906 59.082 1.00110.96 N ATOM 849 NH2 ARG A 412 66.610 19.256 61.058 1.00110.83 N ATOM 850 N ASN A 413 71.187 23.790 61.345 1.00 86.77 N ATOM 851 CA ASN A 413 71.997 22.750 61.947 1.00 88.40 C ATOM 852 C ASN A 413 72.726 23.186 63.197 1.00 86.70 C ATOM 853 O ASN A 413 72.770 22.446 64.194 1.00 84.78 O ATOM 854 CB ASN A 413 73.003 22.181 60.930 1.00 94.30 C ATOM 855 CG ASN A 413 73.815 21.042 61.513 1.00 98.85 C ATOM 856 OD1 ASN A 413 73.568 20.563 62.622 1.00102.19 O ATOM 857 ND2 ASN A 413 74.833 20.518 60.837 1.00101.25 N ATOM 858 N GLN A 414 73.361 24.370 63.167 1.00 85.09 N ATOM 859 CA GLN A 414 73.997 24.886 64.392 1.00 82.79 C ATOM 860 C GLN A 414 72.984 25.035 65.518 1.00 81.33 C ATOM 861 O GLN A 414 73.180 24.679 66.682 1.00 79.48 O ATOM 862 CB GLN A 414 74.664 26.220 64.092 1.00 81.91 C ATOM 863 CG GLN A 414 76.063 26.114 63.538 1.00 82.77 C ATOM 864 CD GLN A 414 76.431 27.257 62.620 1.00 84.68 C ATOM 865 OE1 GLN A 414 75.687 27.652 61.712 1.00 85.74 O ATOM 866 NE2 GLN A 414 77.608 27.859 62.821 1.00 85.01 N ATOM 867 N GLY A 415 71.781 25.527 65.216 1.00 80.63 N ATOM 868 CA GLY A 415 70.742 25.696 66.201 1.00 83.40 C ATOM 869 C GLY A 415 70.340 24.445 66.944 1.00 83.82 C ATOM 870 O GLY A 415 69.712 24.503 68.003 1.00 84.09 O ATOM 871 N LYS A 416 70.653 23.278 66.432 1.00 86.07 N ATOM 872 CA LYS A 416 70.358 21.991 67.041 1.00 88.46 C ATOM 873 C LYS A 416 71.346 21.617 68.133 1.00 90.69 C ATOM 874 O LYS A 416 71.114 20.736 68.976 1.00 90.97 O ATOM 875 CB LYS A 416 70.292 20.922 65.936 1.00 86.72 C ATOM 876 N CYS A 417 72.472 22.326 68.256 1.00 92.64 N ATOM 877 CA CYS A 417 73.483 22.108 69.272 1.00 93.07 C ATOM 878 C CYS A 417 72.909 22.354 70.666 1.00 93.38 C ATOM 879 O CYS A 417 73.434 21.863 71.658 1.00 92.91 O ATOM 880 CB CYS A 417 74.701 22.998 69.048 1.00 94.33 C ATOM 881 SG CYS A 417 75.678 22.635 67.566 1.00 99.02 S ATOM 882 N VAL A 418 71.834 23.132 70.752 1.00 93.78 N ATOM 883 CA VAL A 418 71.120 23.402 71.968 1.00 93.62 C ATOM 884 C VAL A 418 69.808 22.596 72.013 1.00 93.64 C ATOM 885 O VAL A 418 69.181 22.351 70.999 1.00 91.80 O ATOM 886 CB VAL A 418 70.736 24.892 72.107 1.00 93.31 C ATOM 887 CG1 VAL A 418 70.086 25.187 73.456 1.00 91.67 C ATOM 888 CG2 VAL A 418 71.979 25.742 71.931 1.00 94.17 C ATOM 889 N GLU A 419 69.412 22.265 73.215 1.00 95.05 N ATOM 890 CA GLU A 419 68.188 21.657 73.643 1.00 95.54 C ATOM 891 C GLU A 419 66.973 22.239 72.923 1.00 95.38 C ATOM 892 O GLU A 419 66.476 23.327 73.242 1.00 95.98 O ATOM 893 CB GLU A 419 67.991 21.962 75.166 1.00 95.46 C ATOM 894 N GLY A 420 66.498 21.521 71.918 1.00 94.14 N ATOM 895 CA GLY A 420 65.357 21.884 71.143 1.00 92.12 C ATOM 896 C GLY A 420 65.092 23.320 70.781 1.00 89.03 C ATOM 897 O GLY A 420 64.020 23.850 71.107 1.00 88.17 O ATOM 898 N MET A 421 66.033 23.982 70.089 1.00 86.43 N ATOM 899 CA MET A 421 65.784 25.373 69.683 1.00 82.99 C ATOM 900 C MET A 421 65.464 25.306 68.175 1.00 80.42 C ATOM 901 O MET A 421 64.989 26.266 67.583 1.00 80.10 O ATOM 902 CB MET A 421 66.764 26.427 70.019 1.00 81.48 C ATOM 903 CG MET A 421 68.244 26.357 69.911 1.00 79.85 C ATOM 904 SD MET A 421 69.040 27.989 69.709 1.00 77.79 S ATOM 905 CE MET A 421 68.655 28.724 71.288 1.00 79.07 C ATOM 906 N VAL A 422 65.609 24.092 67.625 1.00 76.08 N ATOM 907 CA VAL A 422 65.334 23.826 66.229 1.00 71.68 C ATOM 908 C VAL A 422 63.966 24.412 65.856 1.00 67.41 C ATOM 909 O VAL A 422 63.776 25.123 64.899 1.00 67.37 O ATOM 910 CB VAL A 422 65.173 22.322 65.867 1.00 72.40 C ATOM 911 CG1 VAL A 422 65.967 22.025 64.609 1.00 71.96 C ATOM 912 CG2 VAL A 422 65.512 21.394 67.006 1.00 73.60 C ATOM 913 N GLU A 423 63.017 24.009 66.669 1.00 64.30 N ATOM 914 CA GLU A 423 61.623 24.390 66.564 1.00 62.34 C ATOM 915 C GLU A 423 61.457 25.875 66.421 1.00 56.63 C ATOM 916 O GLU A 423 60.835 26.342 65.468 1.00 54.37 O ATOM 917 CB GLU A 423 60.987 23.849 67.865 1.00 68.72 C ATOM 918 CG GLU A 423 61.513 22.419 68.085 1.00 76.48 C ATOM 919 CD GLU A 423 61.053 21.478 66.981 1.00 83.18 C ATOM 920 OE1 GLU A 423 61.030 21.792 65.757 1.00 84.19 O ATOM 921 OE2 GLU A 423 60.693 20.332 67.375 1.00 87.12 O ATOM 922 N ILE A 424 62.064 26.591 67.362 1.00 50.66 N ATOM 923 CA ILE A 424 62.014 28.050 67.353 1.00 49.94 C ATOM 924 C ILE A 424 62.833 28.671 66.258 1.00 49.72 C ATOM 925 O ILE A 424 62.454 29.564 65.483 1.00 47.07 O ATOM 926 CB ILE A 424 62.365 28.585 68.734 1.00 49.44 C ATOM 927 CG1 ILE A 424 61.957 27.488 69.748 1.00 47.25 C ATOM 928 CG2 ILE A 424 61.546 29.853 68.939 1.00 52.10 C ATOM 929 CD1 ILE A 424 61.539 28.004 71.086 1.00 46.42 C ATOM 930 N PHE A 425 64.032 28.110 66.119 1.00 48.71 N ATOM 931 CA PHE A 425 64.956 28.558 65.078 1.00 48.83 C ATOM 932 C PHE A 425 64.259 28.554 63.730 1.00 49.83 C ATOM 933 O PHE A 425 64.333 29.486 62.912 1.00 49.75 O ATOM 934 CB PHE A 425 66.079 27.557 65.115 1.00 52.26 C ATOM 935 CG PHE A 425 67.384 28.056 64.616 1.00 54.82 C ATOM 936 CD1 PHE A 425 67.534 28.250 63.249 1.00 55.00 C ATOM 937 CD2 PHE A 425 68.429 28.309 65.493 1.00 54.48 C ATOM 938 CE1 PHE A 425 68.734 28.713 62.751 1.00 54.74 C ATOM 939 CE2 PHE A 425 69.630 28.763 64.995 1.00 54.33 C ATOM 940 CZ PHE A 425 69.769 28.957 63.628 1.00 55.26 C ATOM 941 N ASP A 426 63.592 27.439 63.451 1.00 50.34 N ATOM 942 CA ASP A 426 62.830 27.302 62.211 1.00 52.02 C ATOM 943 C ASP A 426 61.741 28.379 62.154 1.00 47.88 C ATOM 944 O ASP A 426 61.620 29.141 61.192 1.00 45.05 O ATOM 945 CB ASP A 426 62.232 25.927 62.120 1.00 58.40 C ATOM 946 CG ASP A 426 63.114 24.758 61.823 1.00 62.55 C ATOM 947 OD1 ASP A 426 64.022 24.861 60.962 1.00 65.48 O ATOM 948 OD2 ASP A 426 62.888 23.686 62.458 1.00 64.32 O ATOM 949 N MET A 427 60.978 28.491 63.257 1.00 43.98 N ATOM 950 CA MET A 427 59.955 29.540 63.285 1.00 41.42 C ATOM 951 C MET A 427 60.571 30.896 62.962 1.00 40.52 C ATOM 952 O MET A 427 60.206 31.610 62.024 1.00 40.48 O ATOM 953 CB MET A 427 59.309 29.529 64.652 1.00 46.35 C ATOM 954 CG MET A 427 58.165 28.489 64.737 1.00 48.01 C ATOM 955 SD MET A 427 57.470 28.508 66.400 1.00 51.78 S ATOM 956 CE MET A 427 58.854 28.059 67.403 1.00 45.57 C ATOM 957 N LEU A 428 61.653 31.212 63.699 1.00 37.72 N ATOM 958 CA LEU A 428 62.386 32.435 63.480 1.00 36.03 C ATOM 959 C LEU A 428 62.778 32.561 62.036 1.00 36.86 C ATOM 960 O LEU A 428 62.648 33.594 61.343 1.00 36.32 O ATOM 961 CB LEU A 428 63.568 32.493 64.467 1.00 36.25 C ATOM 962 CG LEU A 428 63.098 32.740 65.898 1.00 35.44 C ATOM 963 CD1 LEU A 428 64.057 32.285 66.969 1.00 36.73 C ATOM 964 CD2 LEU A 428 62.723 34.177 66.125 1.00 37.83 C ATOM 965 N LEU A 429 63.240 31.432 61.475 1.00 40.60 N ATOM 966 CA LEU A 429 63.706 31.476 60.065 1.00 41.29 C ATOM 967 C LEU A 429 62.605 31.928 59.145 1.00 39.00 C ATOM 968 O LEU A 429 62.720 32.870 58.371 1.00 39.51 O ATOM 969 CB LEU A 429 64.313 30.144 59.690 1.00 43.27 C ATOM 970 CG LEU A 429 65.812 30.002 59.966 1.00 45.30 C ATOM 971 CD1 LEU A 429 66.293 28.587 59.649 1.00 45.70 C ATOM 972 CD2 LEU A 429 66.629 31.027 59.197 1.00 43.74 C ATOM 973 N ALA A 430 61.448 31.309 59.364 1.00 39.75 N ATOM 974 CA ALA A 430 60.243 31.583 58.587 1.00 37.09 C ATOM 975 C ALA A 430 59.798 33.011 58.767 1.00 38.56 C ATOM 976 O ALA A 430 59.521 33.697 57.752 1.00 38.33 O ATOM 977 CB ALA A 430 59.208 30.593 59.021 1.00 39.99 C ATOM 978 N THR A 431 59.882 33.500 60.028 1.00 35.59 N ATOM 979 CA THR A 431 59.549 34.937 60.144 1.00 36.46 C ATOM 980 C THR A 431 60.428 35.826 59.333 1.00 37.93 C ATOM 981 O THR A 431 59.934 36.643 58.554 1.00 38.61 O ATOM 982 CB THR A 431 59.488 35.351 61.600 1.00 36.66 C ATOM 983 OG1 THR A 431 58.696 34.368 62.308 1.00 44.00 O ATOM 984 CG2 THR A 431 58.908 36.711 61.812 1.00 32.95 C ATOM 985 N SER A 432 61.781 35.804 59.328 1.00 43.67 N ATOM 986 CA SER A 432 62.459 36.829 58.499 1.00 45.86 C ATOM 987 C SER A 432 62.140 36.599 57.029 1.00 45.06 C ATOM 988 O SER A 432 62.151 37.499 56.200 1.00 40.01 O ATOM 989 CB SER A 432 63.961 37.037 58.613 1.00 45.04 C ATOM 990 OG SER A 432 64.652 35.870 58.844 1.00 44.31 O ATOM 991 N SER A 433 61.942 35.297 56.773 1.00 47.09 N ATOM 992 CA SER A 433 61.611 35.007 55.384 1.00 49.54 C ATOM 993 C SER A 433 60.360 35.760 54.981 1.00 49.50 C ATOM 994 O SER A 433 60.276 36.385 53.896 1.00 51.37 O ATOM 995 CB SER A 433 61.533 33.492 55.255 1.00 50.61 C ATOM 996 OG SER A 433 61.782 33.268 53.861 1.00 58.03 O ATOM 997 N ARG A 434 59.359 35.767 55.868 1.00 45.71 N ATOM 998 CA ARG A 434 58.112 36.442 55.471 1.00 45.67 C ATOM 999 C ARG A 434 58.365 37.904 55.424 1.00 45.99 C ATOM 1000 O ARG A 434 57.741 38.684 54.686 1.00 48.03 O ATOM 1001 CB ARG A 434 56.994 35.888 56.328 1.00 52.87 C ATOM 1002 CG ARG A 434 55.825 36.768 56.669 1.00 61.64 C ATOM 1003 CD ARG A 434 54.448 36.253 56.247 1.00 65.66 C ATOM 1004 NE ARG A 434 53.910 37.123 55.212 1.00 71.37 N ATOM 1005 CZ ARG A 434 52.755 37.777 55.178 1.00 74.32 C ATOM 1006 NH1 ARG A 434 51.884 37.683 56.194 1.00 76.56 N ATOM 1007 NH2 ARG A 434 52.466 38.531 54.113 1.00 72.73 N ATOM 1008 N PHE A 435 59.278 38.400 56.271 1.00 45.66 N ATOM 1009 CA PHE A 435 59.591 39.822 56.251 1.00 46.91 C ATOM 1010 C PHE A 435 60.212 40.184 54.893 1.00 44.85 C ATOM 1011 O PHE A 435 60.006 41.239 54.325 1.00 45.13 O ATOM 1012 CB PHE A 435 60.586 40.207 57.352 1.00 48.27 C ATOM 1013 CG PHE A 435 59.982 40.529 58.672 1.00 51.19 C ATOM 1014 CD1 PHE A 435 58.604 40.442 58.870 1.00 53.63 C ATOM 1015 CD2 PHE A 435 60.782 40.922 59.746 1.00 47.96 C ATOM 1016 CE1 PHE A 435 58.025 40.713 60.097 1.00 52.73 C ATOM 1017 CE2 PHE A 435 60.194 41.181 60.955 1.00 47.26 C ATOM 1018 CZ PHE A 435 58.840 41.076 61.157 1.00 48.94 C ATOM 1019 N ARG A 436 61.056 39.323 54.400 1.00 47.63 N ATOM 1020 CA ARG A 436 61.746 39.482 53.124 1.00 49.34 C ATOM 1021 C ARG A 436 60.645 39.474 52.078 1.00 49.53 C ATOM 1022 O ARG A 436 60.330 40.477 51.451 1.00 45.06 O ATOM 1023 CB ARG A 436 62.682 38.315 52.896 1.00 50.60 C ATOM 1024 CG ARG A 436 63.939 38.648 52.124 1.00 56.76 C ATOM 1025 CD ARG A 436 64.616 37.327 51.713 1.00 61.86 C ATOM 1026 NE ARG A 436 65.061 36.607 52.886 1.00 66.94 N ATOM 1027 CZ ARG A 436 64.776 35.363 53.238 1.00 70.98 C ATOM 1028 NH1 ARG A 436 63.978 34.637 52.445 1.00 72.78 N ATOM 1029 NH2 ARG A 436 65.262 34.887 54.395 1.00 71.17 N ATOM 1030 N MET A 437 59.931 38.317 52.119 1.00 53.08 N ATOM 1031 CA MET A 437 58.819 38.277 51.152 1.00 57.01 C ATOM 1032 C MET A 437 58.080 39.607 51.214 1.00 55.26 C ATOM 1033 O MET A 437 58.069 40.283 50.197 1.00 57.39 O ATOM 1034 CB MET A 437 57.941 37.108 51.344 1.00 63.52 C ATOM 1035 CG MET A 437 58.313 35.727 50.890 1.00 71.66 C ATOM 1036 SD MET A 437 57.582 34.534 52.062 1.00 84.11 S ATOM 1037 CE MET A 437 55.865 35.144 52.090 1.00 79.21 C ATOM 1038 N MET A 438 57.523 40.091 52.326 1.00 51.51 N ATOM 1039 CA MET A 438 56.773 41.324 52.297 1.00 51.37 C ATOM 1040 C MET A 438 57.538 42.607 52.026 1.00 50.12 C ATOM 1041 O MET A 438 56.893 43.685 51.973 1.00 48.99 O ATOM 1042 CB MET A 438 56.028 41.518 53.621 1.00 52.61 C ATOM 1043 CG MET A 438 55.222 40.334 54.061 1.00 54.98 C ATOM 1044 SD MET A 438 54.439 40.648 55.643 1.00 59.57 S ATOM 1045 CE MET A 438 53.926 42.358 55.466 1.00 55.04 C ATOM 1046 N ASN A 439 58.846 42.523 51.964 1.00 48.54 N ATOM 1047 CA ASN A 439 59.767 43.614 51.794 1.00 45.77 C ATOM 1048 C ASN A 439 59.605 44.567 52.968 1.00 42.78 C ATOM 1049 O ASN A 439 59.522 45.787 52.761 1.00 39.35 O ATOM 1050 CB ASN A 439 59.622 44.374 50.518 1.00 53.65 C ATOM 1051 CG ASN A 439 60.859 45.147 50.093 1.00 60.47 C ATOM 1052 OD1 ASN A 439 61.779 45.547 50.798 1.00 58.68 O ATOM 1053 ND2 ASN A 439 60.875 45.410 48.768 1.00 65.24 N ATOM 1054 N LEU A 440 59.545 43.937 54.172 1.00 39.68 N ATOM 1055 CA LEU A 440 59.363 44.798 55.341 1.00 40.85 C ATOM 1056 C LEU A 440 60.302 45.992 55.289 1.00 40.66 C ATOM 1057 O LEU A 440 61.439 45.917 54.837 1.00 40.49 O ATOM 1058 CB LEU A 440 59.506 44.052 56.677 1.00 42.20 C ATOM 1059 CG LEU A 440 59.201 45.057 57.839 1.00 43.75 C ATOM 1060 CD1 LEU A 440 57.802 45.601 57.642 1.00 45.00 C ATOM 1061 CD2 LEU A 440 59.380 44.431 59.202 1.00 42.76 C ATOM 1062 N GLN A 441 59.881 47.156 55.736 1.00 42.17 N ATOM 1063 CA GLN A 441 60.755 48.326 55.684 1.00 42.54 C ATOM 1064 C GLN A 441 61.111 48.837 57.064 1.00 45.77 C ATOM 1065 O GLN A 441 60.289 48.917 57.992 1.00 46.95 O ATOM 1066 CB GLN A 441 59.947 49.392 54.913 1.00 44.80 C ATOM 1067 CG GLN A 441 59.648 48.869 53.469 1.00 46.60 C ATOM 1068 CD GLN A 441 60.870 49.261 52.620 1.00 46.29 C ATOM 1069 OE1 GLN A 441 61.209 50.473 52.644 1.00 43.94 O ATOM 1070 NE2 GLN A 441 61.391 48.217 51.988 1.00 43.50 N ATOM 1071 N GLY A 442 62.361 49.221 57.240 1.00 44.76 N ATOM 1072 CA GLY A 442 62.942 49.758 58.436 1.00 41.75 C ATOM 1073 C GLY A 442 61.971 50.542 59.255 1.00 41.41 C ATOM 1074 O GLY A 442 61.661 50.119 60.370 1.00 43.47 O ATOM 1075 N GLU A 443 61.418 51.600 58.688 1.00 43.44 N ATOM 1076 CA GLU A 443 60.442 52.464 59.287 1.00 43.18 C ATOM 1077 C GLU A 443 59.181 51.714 59.768 1.00 41.51 C ATOM 1078 O GLU A 443 58.536 52.266 60.688 1.00 41.33 O ATOM 1079 CB GLU A 443 60.005 53.585 58.352 1.00 45.30 C ATOM 1080 CG GLU A 443 60.996 54.545 57.786 1.00 46.12 C ATOM 1081 CD GLU A 443 61.854 53.906 56.720 1.00 51.40 C ATOM 1082 OE1 GLU A 443 61.523 52.818 56.225 1.00 51.51 O ATOM 1083 OE2 GLU A 443 62.932 54.443 56.343 1.00 57.58 O ATOM 1084 N GLU A 444 58.830 50.580 59.194 1.00 37.35 N ATOM 1085 CA GLU A 444 57.661 49.801 59.612 1.00 38.11 C ATOM 1086 C GLU A 444 58.071 48.899 60.782 1.00 36.47 C ATOM 1087 O GLU A 444 57.364 48.667 61.760 1.00 40.60 O ATOM 1088 CB GLU A 444 57.126 48.855 58.543 1.00 40.40 C ATOM 1089 CG GLU A 444 56.654 49.456 57.251 1.00 43.75 C ATOM 1090 CD GLU A 444 56.171 48.486 56.187 1.00 44.27 C ATOM 1091 OE1 GLU A 444 56.948 47.714 55.593 1.00 42.90 O ATOM 1092 OE2 GLU A 444 54.945 48.547 55.928 1.00 43.73 O ATOM 1093 N PHE A 445 59.274 48.392 60.688 1.00 36.90 N ATOM 1094 CA PHE A 445 59.910 47.530 61.676 1.00 36.32 C ATOM 1095 C PHE A 445 59.990 48.218 63.020 1.00 38.08 C ATOM 1096 O PHE A 445 59.624 47.708 64.078 1.00 43.18 O ATOM 1097 CB PHE A 445 61.324 47.215 61.222 1.00 33.88 C ATOM 1098 CG PHE A 445 62.219 46.649 62.240 1.00 34.44 C ATOM 1099 CD1 PHE A 445 62.075 45.370 62.709 1.00 33.30 C ATOM 1100 CD2 PHE A 445 63.265 47.438 62.742 1.00 35.81 C ATOM 1101 CE1 PHE A 445 62.975 44.855 63.646 1.00 35.64 C ATOM 1102 CE2 PHE A 445 64.199 46.911 63.618 1.00 34.03 C ATOM 1103 CZ PHE A 445 64.031 45.624 64.090 1.00 33.63 C ATOM 1104 N VAL A 446 60.370 49.468 62.998 1.00 36.38 N ATOM 1105 CA VAL A 446 60.501 50.229 64.260 1.00 35.39 C ATOM 1106 C VAL A 446 59.160 50.513 64.836 1.00 36.39 C ATOM 1107 O VAL A 446 58.899 50.721 66.060 1.00 36.88 O ATOM 1108 CB VAL A 446 61.340 51.422 63.743 1.00 37.96 C ATOM 1109 CG1 VAL A 446 61.016 52.732 64.350 1.00 36.13 C ATOM 1110 CG2 VAL A 446 62.806 51.032 63.810 1.00 36.84 C ATOM 1111 N CYS A 447 58.166 50.587 63.959 1.00 38.09 N ATOM 1112 CA CYS A 447 56.756 50.836 64.384 1.00 36.81 C ATOM 1113 C CYS A 447 56.242 49.584 65.066 1.00 35.90 C ATOM 1114 O CYS A 447 55.686 49.628 66.147 1.00 36.40 O ATOM 1115 CB CYS A 447 56.001 51.134 63.134 1.00 39.05 C ATOM 1116 SG CYS A 447 55.897 52.861 62.706 1.00 45.24 S ATOM 1117 N LEU A 448 56.515 48.431 64.448 1.00 37.34 N ATOM 1118 CA LEU A 448 56.179 47.116 65.016 1.00 36.19 C ATOM 1119 C LEU A 448 56.884 46.877 66.333 1.00 35.93 C ATOM 1120 O LEU A 448 56.332 46.318 67.303 1.00 36.91 O ATOM 1121 CB LEU A 448 56.644 46.016 64.059 1.00 37.42 C ATOM 1122 CG LEU A 448 55.919 45.875 62.723 1.00 38.60 C ATOM 1123 CD1 LEU A 448 56.204 44.485 62.166 1.00 38.61 C ATOM 1124 CD2 LEU A 448 54.407 46.000 62.875 1.00 38.37 C ATOM 1125 N LYS A 449 58.161 47.327 66.475 1.00 34.08 N ATOM 1126 CA LYS A 449 58.759 47.056 67.800 1.00 33.35 C ATOM 1127 C LYS A 449 58.051 47.861 68.885 1.00 32.12 C ATOM 1128 O LYS A 449 57.772 47.421 69.977 1.00 31.98 O ATOM 1129 CB LYS A 449 60.222 47.413 67.867 1.00 35.64 C ATOM 1130 CG LYS A 449 61.196 46.311 67.540 1.00 40.11 C ATOM 1131 CD LYS A 449 62.593 46.562 68.113 1.00 37.82 C ATOM 1132 CE LYS A 449 63.209 47.746 67.359 1.00 39.59 C ATOM 1133 NZ LYS A 449 64.552 48.079 67.932 1.00 45.13 N ATOM 1134 N SER A 450 57.796 49.148 68.608 1.00 32.09 N ATOM 1135 CA SER A 450 57.214 49.985 69.643 1.00 32.69 C ATOM 1136 C SER A 450 55.872 49.379 70.046 1.00 35.21 C ATOM 1137 O SER A 450 55.572 49.405 71.237 1.00 35.15 O ATOM 1138 CB SER A 450 57.093 51.427 69.253 1.00 33.33 C ATOM 1139 OG SER A 450 58.301 51.920 68.712 1.00 44.51 O ATOM 1140 N ILE A 451 55.152 48.892 69.015 1.00 31.47 N ATOM 1141 CA ILE A 451 53.871 48.281 69.300 1.00 29.67 C ATOM 1142 C ILE A 451 54.073 47.088 70.212 1.00 29.71 C ATOM 1143 O ILE A 451 53.319 46.948 71.179 1.00 30.52 O ATOM 1144 CB ILE A 451 53.185 47.857 67.987 1.00 30.16 C ATOM 1145 CG1 ILE A 451 52.654 49.104 67.276 1.00 29.31 C ATOM 1146 CG2 ILE A 451 52.097 46.805 68.217 1.00 25.93 C ATOM 1147 CD1 ILE A 451 52.274 48.796 65.821 1.00 32.04 C ATOM 1148 N ILE A 452 55.075 46.229 69.918 1.00 28.54 N ATOM 1149 CA ILE A 452 55.300 45.060 70.761 1.00 25.63 C ATOM 1150 C ILE A 452 55.576 45.545 72.180 1.00 30.38 C ATOM 1151 O ILE A 452 55.079 45.005 73.137 1.00 34.58 O ATOM 1152 CB ILE A 452 56.469 44.234 70.281 1.00 26.82 C ATOM 1153 CG1 ILE A 452 56.170 43.518 68.957 1.00 30.90 C ATOM 1154 CG2 ILE A 452 57.009 43.259 71.314 1.00 21.12 C ATOM 1155 CD1 ILE A 452 57.349 42.688 68.405 1.00 25.51 C ATOM 1156 N LEU A 453 56.367 46.581 72.361 1.00 32.06 N ATOM 1157 CA LEU A 453 56.675 47.098 73.654 1.00 34.04 C ATOM 1158 C LEU A 453 55.436 47.537 74.371 1.00 34.53 C ATOM 1159 O LEU A 453 55.177 47.100 75.495 1.00 40.58 O ATOM 1160 CB LEU A 453 57.676 48.265 73.594 1.00 33.55 C ATOM 1161 CG LEU A 453 57.973 48.870 74.984 1.00 31.37 C ATOM 1162 CD1 LEU A 453 58.292 47.746 75.949 1.00 27.35 C ATOM 1163 CD2 LEU A 453 58.980 49.992 74.961 1.00 26.50 C ATOM 1164 N LEU A 454 54.627 48.386 73.806 1.00 35.04 N ATOM 1165 CA LEU A 454 53.404 48.815 74.482 1.00 35.08 C ATOM 1166 C LEU A 454 52.313 47.814 74.641 1.00 37.41 C ATOM 1167 O LEU A 454 51.468 47.943 75.510 1.00 36.19 O ATOM 1168 CB LEU A 454 52.775 49.973 73.645 1.00 32.94 C ATOM 1169 CG LEU A 454 53.728 51.185 73.576 1.00 34.24 C ATOM 1170 CD1 LEU A 454 53.055 52.297 72.825 1.00 32.61 C ATOM 1171 CD2 LEU A 454 54.126 51.597 74.987 1.00 34.42 C ATOM 1172 N ASN A 455 52.180 46.850 73.728 1.00 42.96 N ATOM 1173 CA ASN A 455 51.060 45.936 73.771 1.00 44.63 C ATOM 1174 C ASN A 455 51.238 44.638 74.476 1.00 47.81 C ATOM 1175 O ASN A 455 50.303 44.023 74.961 1.00 52.94 O ATOM 1176 CB ASN A 455 50.762 45.569 72.292 1.00 44.66 C ATOM 1177 CG ASN A 455 49.596 44.620 72.164 1.00 43.46 C ATOM 1178 OD1 ASN A 455 49.696 43.551 71.583 1.00 42.54 O ATOM 1179 ND2 ASN A 455 48.475 45.034 72.727 1.00 46.97 N ATOM 1180 N SER A 456 52.395 44.046 74.548 1.00 50.76 N ATOM 1181 CA SER A 456 52.427 42.713 75.145 1.00 53.37 C ATOM 1182 C SER A 456 52.032 42.695 76.583 1.00 56.18 C ATOM 1183 O SER A 456 51.549 41.691 77.113 1.00 56.74 O ATOM 1184 CB SER A 456 53.794 42.093 74.786 1.00 52.37 C ATOM 1185 OG SER A 456 53.964 41.972 73.368 1.00 40.19 O ATOM 1186 N GLY A 457 52.241 43.761 77.316 1.00 61.86 N ATOM 1187 CA GLY A 457 51.997 43.862 78.731 1.00 70.54 C ATOM 1188 C GLY A 457 50.833 44.726 79.116 1.00 77.77 C ATOM 1189 O GLY A 457 50.450 44.776 80.284 1.00 78.76 O ATOM 1190 N VAL A 458 50.151 45.356 78.171 1.00 84.38 N ATOM 1191 CA VAL A 458 48.987 46.195 78.378 1.00 90.25 C ATOM 1192 C VAL A 458 47.897 45.551 79.210 1.00 96.24 C ATOM 1193 O VAL A 458 46.948 46.250 79.609 1.00 98.11 O ATOM 1194 CB VAL A 458 48.448 46.636 76.990 1.00 89.27 C ATOM 1195 CG1 VAL A 458 47.739 45.491 76.289 1.00 89.46 C ATOM 1196 CG2 VAL A 458 47.547 47.845 77.079 1.00 88.97 C ATOM 1197 N TYR A 459 47.924 44.257 79.513 1.00101.74 N ATOM 1198 CA TYR A 459 46.973 43.497 80.269 1.00104.80 C ATOM 1199 C TYR A 459 47.332 43.286 81.740 1.00105.22 C ATOM 1200 O TYR A 459 47.016 42.180 82.231 1.00105.07 O ATOM 1201 CB TYR A 459 46.814 42.080 79.662 1.00107.02 C ATOM 1202 CG TYR A 459 45.822 42.038 78.519 1.00110.17 C ATOM 1203 CD1 TYR A 459 45.419 43.212 77.893 1.00110.98 C ATOM 1204 CD2 TYR A 459 45.308 40.830 78.053 1.00110.39 C ATOM 1205 CE1 TYR A 459 44.545 43.205 76.835 1.00112.30 C ATOM 1206 CE2 TYR A 459 44.418 40.816 76.997 1.00112.11 C ATOM 1207 CZ TYR A 459 44.051 42.000 76.399 1.00112.88 C ATOM 1208 OH TYR A 459 43.168 41.991 75.347 1.00115.80 O ATOM 1209 N GLU A 470 43.165 56.078 83.507 1.00107.33 N ATOM 1210 CA GLU A 470 43.526 57.004 82.435 1.00107.02 C ATOM 1211 C GLU A 470 44.890 56.630 81.849 1.00105.48 C ATOM 1212 O GLU A 470 45.363 57.299 80.943 1.00106.09 O ATOM 1213 CB GLU A 470 43.575 58.456 82.919 1.00106.27 C ATOM 1214 N GLU A 471 45.492 55.590 82.396 1.00103.12 N ATOM 1215 CA GLU A 471 46.801 55.140 81.925 1.00101.16 C ATOM 1216 C GLU A 471 46.592 54.169 80.779 1.00 99.18 C ATOM 1217 O GLU A 471 47.055 54.348 79.647 1.00 99.80 O ATOM 1218 CB GLU A 471 47.605 54.547 83.076 1.00101.62 C ATOM 1219 N LYS A 472 45.728 53.170 81.002 1.00 95.72 N ATOM 1220 CA LYS A 472 45.352 52.182 79.990 1.00 88.76 C ATOM 1221 C LYS A 472 45.036 52.984 78.727 1.00 84.43 C ATOM 1222 O LYS A 472 45.594 52.757 77.666 1.00 85.42 O ATOM 1223 CB LYS A 472 44.096 51.416 80.408 1.00 89.61 C ATOM 1224 N AASP A 473 44.145 53.954 78.913 0.50 80.32 N ATOM 1225 N BASP A 473 44.142 53.947 78.917 0.50 81.68 N ATOM 1226 CA AASP A 473 43.735 54.858 77.861 0.50 76.63 C ATOM 1227 CA BASP A 473 43.727 54.830 77.848 0.50 78.99 C ATOM 1228 C AASP A 473 44.905 55.533 77.166 0.50 72.53 C ATOM 1229 C BASP A 473 44.863 55.585 77.186 0.50 74.62 C ATOM 1230 O AASP A 473 44.906 55.645 75.937 0.50 70.54 O ATOM 1231 O BASP A 473 45.017 55.398 75.961 0.50 73.32 O ATOM 1232 CB AASP A 473 42.788 55.917 78.446 0.50 77.43 C ATOM 1233 CB BASP A 473 42.628 55.750 78.383 0.50 81.54 C ATOM 1234 CG AASP A 473 42.214 56.859 77.406 0.50 77.69 C ATOM 1235 CG BASP A 473 41.329 55.002 78.624 0.50 83.12 C ATOM 1236 OD1AASP A 473 41.206 56.487 76.758 0.50 77.87 O ATOM 1237 OD1BASP A 473 41.105 53.923 78.040 0.50 83.70 O ATOM 1238 OD2AASP A 473 42.774 57.965 77.239 0.50 76.09 O ATOM 1239 OD2BASP A 473 40.508 55.512 79.421 0.50 84.94 O ATOM 1240 N HIS A 474 45.903 55.985 77.921 1.00 70.51 N ATOM 1241 CA HIS A 474 47.039 56.684 77.314 1.00 64.59 C ATOM 1242 C HIS A 474 47.754 55.773 76.335 1.00 60.83 C ATOM 1243 O HIS A 474 47.950 56.109 75.155 1.00 58.49 O ATOM 1244 CB HIS A 474 48.007 57.255 78.327 1.00 64.63 C ATOM 1245 CG HIS A 474 49.247 57.893 77.753 1.00 66.15 C ATOM 1246 ND1 HIS A 474 49.230 58.987 76.893 1.00 64.28 N ATOM 1247 CD2 HIS A 474 50.560 57.566 77.949 1.00 63.36 C ATOM 1248 CE1 HIS A 474 50.461 59.305 76.567 1.00 63.50 C ATOM 1249 NE2 HIS A 474 51.263 58.458 77.202 1.00 64.89 N ATOM 1250 N ILE A 475 48.085 54.566 76.816 1.00 56.86 N ATOM 1251 CA ILE A 475 48.793 53.658 75.933 1.00 56.72 C ATOM 1252 C ILE A 475 48.013 53.327 74.667 1.00 57.11 C ATOM 1253 O ILE A 475 48.606 53.228 73.567 1.00 54.05 O ATOM 1254 CB ILE A 475 49.240 52.385 76.618 1.00 58.11 C ATOM 1255 CG1 ILE A 475 49.983 52.704 77.908 1.00 60.17 C ATOM 1256 CG2 ILE A 475 50.144 51.632 75.633 1.00 60.22 C ATOM 1257 CD1 ILE A 475 50.468 51.438 78.616 1.00 63.03 C ATOM 1258 N HIS A 476 46.701 53.150 74.800 1.00 55.97 N ATOM 1259 CA HIS A 476 45.863 52.867 73.648 1.00 58.59 C ATOM 1260 C HIS A 476 45.863 53.976 72.617 1.00 59.35 C ATOM 1261 O HIS A 476 45.714 53.730 71.394 1.00 61.12 O ATOM 1262 CB HIS A 476 44.463 52.526 74.106 1.00 64.75 C ATOM 1263 CG HIS A 476 44.333 51.131 74.657 1.00 72.37 C ATOM 1264 ND1 HIS A 476 45.206 50.100 74.365 1.00 73.22 N ATOM 1265 CD2 HIS A 476 43.393 50.595 75.501 1.00 74.42 C ATOM 1266 CE1 HIS A 476 44.819 49.007 74.990 1.00 74.43 C ATOM 1267 NE2 HIS A 476 43.721 49.266 75.694 1.00 74.59 N ATOM 1268 N ARG A 477 46.135 55.219 73.001 1.00 58.21 N ATOM 1269 CA ARG A 477 46.136 56.304 72.015 1.00 57.66 C ATOM 1270 C ARG A 477 47.505 56.399 71.380 1.00 55.49 C ATOM 1271 O ARG A 477 47.688 56.889 70.257 1.00 58.24 O ATOM 1272 CB ARG A 477 45.741 57.625 72.644 1.00 62.00 C ATOM 1273 CG ARG A 477 44.852 57.527 73.864 1.00 66.35 C ATOM 1274 CD ARG A 477 43.749 58.567 73.887 1.00 69.29 C ATOM 1275 NE ARG A 477 44.206 59.875 73.400 1.00 72.49 N ATOM 1276 N VAL A 478 48.506 55.917 72.109 1.00 51.61 N ATOM 1277 CA VAL A 478 49.864 55.952 71.511 1.00 48.31 C ATOM 1278 C VAL A 478 49.873 54.851 70.465 1.00 45.77 C ATOM 1279 O VAL A 478 50.367 54.991 69.353 1.00 46.44 O ATOM 1280 CB VAL A 478 50.926 55.692 72.583 1.00 48.87 C ATOM 1281 CG1 VAL A 478 52.313 55.702 71.995 1.00 47.97 C ATOM 1282 CG2 VAL A 478 50.754 56.714 73.712 1.00 47.54 C ATOM 1283 N LEU A 479 49.226 53.747 70.861 1.00 44.03 N ATOM 1284 CA LEU A 479 49.088 52.587 69.976 1.00 41.04 C ATOM 1285 C LEU A 479 48.311 52.989 68.741 1.00 41.59 C ATOM 1286 O LEU A 479 48.781 52.725 67.618 1.00 45.09 O ATOM 1287 CB LEU A 479 48.409 51.431 70.650 1.00 40.07 C ATOM 1288 CG LEU A 479 49.306 50.514 71.497 1.00 41.14 C ATOM 1289 CD1 LEU A 479 48.428 49.487 72.159 1.00 38.92 C ATOM 1290 CD2 LEU A 479 50.463 49.928 70.690 1.00 36.46 C ATOM 1291 N ASP A 480 47.211 53.712 68.960 1.00 42.05 N ATOM 1292 CA ASP A 480 46.470 54.214 67.789 1.00 42.41 C ATOM 1293 C ASP A 480 47.374 55.147 66.986 1.00 42.83 C ATOM 1294 O ASP A 480 47.305 55.139 65.748 1.00 42.30 O ATOM 1295 CB ASP A 480 45.201 54.953 68.099 1.00 42.23 C ATOM 1296 CG ASP A 480 44.053 54.203 68.672 1.00 44.04 C ATOM 1297 OD1 ASP A 480 43.932 52.968 68.567 1.00 42.99 O ATOM 1298 OD2 ASP A 480 43.187 54.890 69.284 1.00 48.06 O ATOM 1299 N LYS A 481 48.194 55.938 67.729 1.00 41.96 N ATOM 1300 CA LYS A 481 49.063 56.824 66.929 1.00 44.36 C ATOM 1301 C LYS A 481 50.015 55.990 66.111 1.00 39.42 C ATOM 1302 O LYS A 481 50.178 56.356 64.967 1.00 40.40 O ATOM 1303 CB LYS A 481 49.767 57.875 67.765 1.00 50.78 C ATOM 1304 CG LYS A 481 50.578 58.879 66.955 1.00 53.79 C ATOM 1305 CD LYS A 481 50.362 60.262 67.571 1.00 59.84 C ATOM 1306 CE LYS A 481 50.299 61.305 66.443 1.00 64.03 C ATOM 1307 NZ LYS A 481 48.891 61.472 65.919 1.00 65.06 N ATOM 1308 N ILE A 482 50.585 54.906 66.617 1.00 37.30 N ATOM 1309 CA ILE A 482 51.484 54.115 65.740 1.00 37.67 C ATOM 1310 C ILE A 482 50.784 53.474 64.576 1.00 37.39 C ATOM 1311 O ILE A 482 51.369 53.361 63.504 1.00 40.01 O ATOM 1312 CB ILE A 482 52.223 53.033 66.573 1.00 38.51 C ATOM 1313 CG1 ILE A 482 52.717 53.713 67.841 1.00 37.12 C ATOM 1314 CG2 ILE A 482 53.229 52.354 65.681 1.00 32.84 C ATOM 1315 CD1 ILE A 482 53.464 52.910 68.842 1.00 36.63 C ATOM 1316 N THR A 483 49.541 53.024 64.688 1.00 37.56 N ATOM 1317 CA THR A 483 48.801 52.521 63.553 1.00 38.49 C ATOM 1318 C THR A 483 48.707 53.631 62.498 1.00 41.74 C ATOM 1319 O THR A 483 49.115 53.398 61.323 1.00 41.89 O ATOM 1320 CB THR A 483 47.358 52.105 63.878 1.00 39.30 C ATOM 1321 OG1 THR A 483 47.465 50.929 64.705 1.00 40.84 O ATOM 1322 CG2 THR A 483 46.655 51.747 62.564 1.00 36.88 C ATOM 1323 N ASP A 484 48.231 54.813 62.941 1.00 43.21 N ATOM 1324 CA ASP A 484 48.226 55.987 62.034 1.00 43.09 C ATOM 1325 C ASP A 484 49.567 56.088 61.303 1.00 42.19 C ATOM 1326 O ASP A 484 49.591 56.087 60.048 1.00 43.92 O ATOM 1327 CB ASP A 484 48.063 57.317 62.737 1.00 43.77 C ATOM 1328 CG ASP A 484 46.749 57.475 63.456 1.00 47.64 C ATOM 1329 OD1 ASP A 484 45.800 56.705 63.146 1.00 46.18 O ATOM 1330 OD2 ASP A 484 46.681 58.362 64.347 1.00 51.47 O ATOM 1331 N THR A 485 50.645 56.123 62.071 1.00 39.45 N ATOM 1332 CA THR A 485 51.990 56.225 61.436 1.00 40.57 C ATOM 1333 C THR A 485 52.253 55.079 60.500 1.00 40.59 C ATOM 1334 O THR A 485 52.717 55.274 59.365 1.00 44.93 O ATOM 1335 CB THR A 485 53.104 56.279 62.489 1.00 39.40 C ATOM 1336 OG1 THR A 485 52.575 56.995 63.625 1.00 35.82 O ATOM 1337 CG2 THR A 485 54.377 56.779 61.950 1.00 34.78 C ATOM 1338 N LEU A 486 51.912 53.873 60.902 1.00 42.16 N ATOM 1339 CA LEU A 486 52.127 52.729 59.939 1.00 43.09 C ATOM 1340 C LEU A 486 51.312 52.966 58.681 1.00 40.80 C ATOM 1341 O LEU A 486 51.781 52.838 57.558 1.00 38.70 O ATOM 1342 CB LEU A 486 51.755 51.499 60.688 1.00 42.99 C ATOM 1343 CG LEU A 486 52.613 50.294 60.838 1.00 44.81 C ATOM 1344 CD1 LEU A 486 54.082 50.478 60.590 1.00 44.10 C ATOM 1345 CD2 LEU A 486 52.347 49.676 62.216 1.00 43.71 C ATOM 1346 N ILE A 487 50.040 53.365 58.786 1.00 42.87 N ATOM 1347 CA ILE A 487 49.240 53.582 57.545 1.00 44.76 C ATOM 1348 C ILE A 487 49.755 54.772 56.749 1.00 44.95 C ATOM 1349 O ILE A 487 49.848 54.748 55.533 1.00 41.29 O ATOM 1350 CB ILE A 487 47.760 53.764 57.879 1.00 45.98 C ATOM 1351 CG1 ILE A 487 47.046 52.483 58.286 1.00 42.68 C ATOM 1352 CG2 ILE A 487 47.016 54.425 56.725 1.00 48.28 C ATOM 1353 CD1 ILE A 487 47.114 51.396 57.264 1.00 43.54 C ATOM 1354 N HIS A 488 50.166 55.842 57.432 1.00 48.83 N ATOM 1355 CA HIS A 488 50.832 56.961 56.775 1.00 49.75 C ATOM 1356 C HIS A 488 52.052 56.545 55.987 1.00 48.04 C ATOM 1357 O HIS A 488 52.308 57.018 54.876 1.00 52.94 O ATOM 1358 CB HIS A 488 51.218 57.976 57.860 1.00 52.56 C ATOM 1359 CG HIS A 488 51.999 59.098 57.240 1.00 57.68 C ATOM 1360 ND1 HIS A 488 53.327 58.970 56.882 1.00 59.10 N ATOM 1361 CD2 HIS A 488 51.620 60.355 56.920 1.00 59.02 C ATOM 1362 CE1 HIS A 488 53.745 60.115 56.366 1.00 59.80 C ATOM 1363 NE2 HIS A 488 52.734 60.958 56.385 1.00 60.71 N ATOM 1364 N LEU A 489 52.888 55.639 56.452 1.00 46.72 N ATOM 1365 CA LEU A 489 54.044 55.192 55.690 1.00 45.24 C ATOM 1366 C LEU A 489 53.585 54.449 54.440 1.00 44.92 C ATOM 1367 O LEU A 489 54.325 54.409 53.459 1.00 46.98 O ATOM 1368 CB LEU A 489 54.900 54.199 56.516 1.00 44.02 C ATOM 1369 CG LEU A 489 55.743 54.841 57.628 1.00 46.75 C ATOM 1370 CD1 LEU A 489 56.068 53.856 58.738 1.00 45.91 C ATOM 1371 CD2 LEU A 489 57.037 55.400 57.046 1.00 43.69 C ATOM 1372 N MET A 490 52.442 53.798 54.508 1.00 44.91 N ATOM 1373 CA MET A 490 51.965 52.951 53.418 1.00 48.26 C ATOM 1374 C MET A 490 51.365 53.704 52.253 1.00 48.02 C ATOM 1375 O MET A 490 51.571 53.374 51.069 1.00 43.52 O ATOM 1376 CB MET A 490 50.931 51.977 54.030 1.00 51.41 C ATOM 1377 CG MET A 490 51.672 50.853 54.797 1.00 49.69 C ATOM 1378 SD MET A 490 50.415 49.777 55.481 1.00 47.26 S ATOM 1379 CE MET A 490 51.453 48.686 56.472 1.00 49.94 C ATOM 1380 N ALA A 491 50.596 54.711 52.631 1.00 50.20 N ATOM 1381 CA ALA A 491 49.971 55.677 51.736 1.00 52.27 C ATOM 1382 C ALA A 491 51.094 56.449 51.046 1.00 57.27 C ATOM 1383 O ALA A 491 51.364 56.361 49.852 1.00 57.13 O ATOM 1384 CB ALA A 491 49.144 56.667 52.566 1.00 50.19 C ATOM 1385 N LYS A 492 51.947 57.103 51.868 1.00 60.59 N ATOM 1386 CA LYS A 492 53.074 57.821 51.263 1.00 62.67 C ATOM 1387 C LYS A 492 53.843 56.912 50.319 1.00 61.77 C ATOM 1388 O LYS A 492 54.478 57.443 49.416 1.00 63.72 O ATOM 1389 CB LYS A 492 53.920 58.444 52.351 1.00 63.55 C ATOM 1390 CG LYS A 492 54.888 59.509 51.953 1.00 65.38 C ATOM 1391 N ALA A 493 53.818 55.599 50.461 1.00 59.10 N ATOM 1392 CA ALA A 493 54.540 54.718 49.569 1.00 60.41 C ATOM 1393 C ALA A 493 53.686 54.393 48.342 1.00 61.29 C ATOM 1394 O ALA A 493 54.118 53.636 47.472 1.00 60.89 O ATOM 1395 CB ALA A 493 54.964 53.443 50.284 1.00 58.60 C ATOM 1396 N GLY A 494 52.464 54.897 48.330 1.00 61.59 N ATOM 1397 CA GLY A 494 51.542 54.710 47.240 1.00 63.74 C ATOM 1398 C GLY A 494 50.555 53.594 47.368 1.00 65.33 C ATOM 1399 O GLY A 494 49.742 53.336 46.450 1.00 68.41 O ATOM 1400 N LEU A 495 50.533 52.861 48.493 1.00 63.96 N ATOM 1401 CA LEU A 495 49.546 51.773 48.593 1.00 58.59 C ATOM 1402 C LEU A 495 48.134 52.271 48.443 1.00 58.06 C ATOM 1403 O LEU A 495 47.735 53.379 48.799 1.00 56.91 O ATOM 1404 CB LEU A 495 49.732 51.021 49.907 1.00 58.36 C ATOM 1405 CG LEU A 495 50.979 50.136 50.029 1.00 57.55 C ATOM 1406 CD1 LEU A 495 50.646 48.750 50.538 1.00 52.48 C ATOM 1407 CD2 LEU A 495 51.767 50.006 48.718 1.00 58.19 C ATOM 1408 N THR A 496 47.275 51.380 47.919 1.00 58.45 N ATOM 1409 CA THR A 496 45.857 51.787 47.808 1.00 57.29 C ATOM 1410 C THR A 496 45.259 51.746 49.201 1.00 55.11 C ATOM 1411 O THR A 496 45.842 51.087 50.052 1.00 57.18 O ATOM 1412 CB THR A 496 45.038 50.909 46.867 1.00 57.90 C ATOM 1413 OG1 THR A 496 44.908 49.584 47.382 1.00 59.37 O ATOM 1414 CG2 THR A 496 45.608 50.827 45.465 1.00 55.46 C ATOM 1415 N LEU A 497 44.128 52.356 49.468 1.00 55.27 N ATOM 1416 CA LEU A 497 43.533 52.264 50.784 1.00 57.86 C ATOM 1417 C LEU A 497 43.296 50.776 51.100 1.00 58.92 C ATOM 1418 O LEU A 497 43.492 50.361 52.231 1.00 61.57 O ATOM 1419 CB LEU A 497 42.210 52.946 50.981 1.00 58.80 C ATOM 1420 CG LEU A 497 42.176 54.431 51.253 1.00 62.15 C ATOM 1421 CD1 LEU A 497 40.717 54.877 51.444 1.00 65.00 C ATOM 1422 CD2 LEU A 497 42.982 54.819 52.483 1.00 64.40 C ATOM 1423 N GLN A 498 42.840 50.016 50.116 1.00 57.38 N ATOM 1424 CA GLN A 498 42.669 48.597 50.349 1.00 55.74 C ATOM 1425 C GLN A 498 44.011 47.986 50.680 1.00 55.51 C ATOM 1426 O GLN A 498 44.127 47.270 51.653 1.00 55.98 O ATOM 1427 CB GLN A 498 42.037 47.885 49.161 1.00 56.58 C ATOM 1428 CG GLN A 498 41.901 46.397 49.303 1.00 58.82 C ATOM 1429 CD GLN A 498 41.090 45.718 48.242 1.00 60.96 C ATOM 1430 OE1 GLN A 498 41.304 45.928 47.056 1.00 63.68 O ATOM 1431 NE2 GLN A 498 40.134 44.875 48.625 1.00 62.29 N ATOM 1432 N GLN A 499 45.055 48.224 49.917 1.00 56.42 N ATOM 1433 CA GLN A 499 46.365 47.642 50.216 1.00 56.77 C ATOM 1434 C GLN A 499 46.910 48.083 51.571 1.00 54.48 C ATOM 1435 O GLN A 499 47.614 47.301 52.223 1.00 52.93 O ATOM 1436 CB GLN A 499 47.323 48.036 49.117 1.00 60.49 C ATOM 1437 CG GLN A 499 46.899 47.577 47.720 1.00 63.18 C ATOM 1438 CD GLN A 499 47.943 48.181 46.768 1.00 66.27 C ATOM 1439 OE1 GLN A 499 48.011 49.401 46.687 1.00 64.80 O ATOM 1440 NE2 GLN A 499 48.689 47.282 46.139 1.00 67.90 N ATOM 1441 N GLN A 500 46.626 49.298 51.982 1.00 49.56 N ATOM 1442 CA GLN A 500 46.992 49.791 53.283 1.00 47.83 C ATOM 1443 C GLN A 500 46.508 48.888 54.400 1.00 48.48 C ATOM 1444 O GLN A 500 47.258 48.320 55.208 1.00 49.65 O ATOM 1445 CB GLN A 500 46.422 51.236 53.446 1.00 46.97 C ATOM 1446 CG GLN A 500 47.355 52.289 52.796 1.00 42.84 C ATOM 1447 CD GLN A 500 46.661 53.575 52.477 1.00 39.88 C ATOM 1448 OE1 GLN A 500 45.984 54.134 53.307 1.00 38.64 O ATOM 1449 NE2 GLN A 500 46.773 54.116 51.276 1.00 39.86 N ATOM 1450 N HIS A 501 45.190 48.672 54.480 1.00 47.29 N ATOM 1451 CA HIS A 501 44.552 47.861 55.505 1.00 42.58 C ATOM 1452 C HIS A 501 44.996 46.422 55.449 1.00 43.22 C ATOM 1453 O HIS A 501 45.204 45.723 56.460 1.00 45.13 O ATOM 1454 CB HIS A 501 43.067 48.002 55.485 1.00 41.84 C ATOM 1455 CG AHIS A 501 42.245 47.480 54.393 0.50 43.18 C ATOM 1456 CG BHIS A 501 42.483 49.360 55.390 0.50 43.53 C ATOM 1457 ND1AHIS A 501 41.395 48.280 53.648 0.50 44.55 N ATOM 1458 ND1BHIS A 501 42.849 50.353 56.286 0.50 45.90 N ATOM 1459 CD2AHIS A 501 42.076 46.219 53.916 0.50 43.33 C ATOM 1460 CD2BHIS A 501 41.577 49.916 54.558 0.50 42.37 C ATOM 1461 CE1AHIS A 501 40.760 47.503 52.765 0.50 44.96 C ATOM 1462 CE1BHIS A 501 42.205 51.471 55.986 0.50 46.12 C ATOM 1463 NE2AHIS A 501 41.192 46.251 52.879 0.50 41.39 N ATOM 1464 NE2BHIS A 501 41.427 51.225 54.935 0.50 44.23 N ATOM 1465 N GLN A 502 45.258 45.931 54.236 1.00 42.10 N ATOM 1466 CA GLN A 502 45.665 44.544 54.122 1.00 40.55 C ATOM 1467 C GLN A 502 47.070 44.369 54.674 1.00 41.26 C ATOM 1468 O GLN A 502 47.223 43.325 55.308 1.00 39.67 O ATOM 1469 CB GLN A 502 45.696 44.016 52.715 1.00 41.12 C ATOM 1470 CG GLN A 502 44.574 44.566 51.860 1.00 40.32 C ATOM 1471 CD GLN A 502 44.320 43.508 50.808 1.00 42.78 C ATOM 1472 OE1 GLN A 502 43.242 42.927 50.851 1.00 49.36 O ATOM 1473 NE2 GLN A 502 45.312 43.328 49.986 1.00 41.14 N ATOM 1474 N ARG A 503 47.950 45.305 54.294 1.00 40.71 N ATOM 1475 CA ARG A 503 49.327 45.244 54.774 1.00 37.17 C ATOM 1476 C ARG A 503 49.317 45.458 56.299 1.00 35.75 C ATOM 1477 O ARG A 503 49.915 44.683 57.058 1.00 33.57 O ATOM 1478 CB ARG A 503 50.177 46.335 54.137 1.00 40.97 C ATOM 1479 CG ARG A 503 51.671 46.162 54.431 1.00 45.67 C ATOM 1480 CD ARG A 503 52.568 47.135 53.682 1.00 43.81 C ATOM 1481 NE ARG A 503 53.964 46.879 53.959 1.00 40.13 N ATOM 1482 CZ ARG A 503 54.707 45.888 53.566 1.00 40.13 C ATOM 1483 NH1 ARG A 503 54.230 44.968 52.777 1.00 39.43 N ATOM 1484 NH2 ARG A 503 55.981 45.772 53.975 1.00 41.35 N ATOM 1485 N LEU A 504 48.556 46.448 56.780 1.00 33.53 N ATOM 1486 CA LEU A 504 48.500 46.664 58.228 1.00 34.14 C ATOM 1487 C LEU A 504 48.137 45.336 58.897 1.00 35.62 C ATOM 1488 O LEU A 504 48.825 44.902 59.816 1.00 38.42 O ATOM 1489 CB LEU A 504 47.501 47.693 58.699 1.00 33.74 C ATOM 1490 CG LEU A 504 47.267 47.904 60.186 1.00 32.73 C ATOM 1491 CD1 LEU A 504 48.459 48.646 60.839 1.00 33.32 C ATOM 1492 CD2 LEU A 504 46.035 48.786 60.445 1.00 28.14 C ATOM 1493 N ALA A 505 47.091 44.663 58.408 1.00 34.89 N ATOM 1494 CA ALA A 505 46.765 43.384 59.027 1.00 30.63 C ATOM 1495 C ALA A 505 47.844 42.353 58.814 1.00 30.88 C ATOM 1496 O ALA A 505 48.122 41.505 59.677 1.00 29.79 O ATOM 1497 CB ALA A 505 45.417 42.908 58.511 1.00 32.54 C ATOM 1498 N GLN A 506 48.524 42.304 57.679 1.00 34.12 N ATOM 1499 CA GLN A 506 49.518 41.245 57.498 1.00 38.19 C ATOM 1500 C GLN A 506 50.601 41.441 58.544 1.00 36.89 C ATOM 1501 O GLN A 506 51.080 40.450 59.135 1.00 36.61 O ATOM 1502 CB GLN A 506 50.040 41.099 56.070 1.00 45.24 C ATOM 1503 CG GLN A 506 48.933 40.987 55.024 1.00 53.31 C ATOM 1504 CD GLN A 506 49.221 41.548 53.640 1.00 56.75 C ATOM 1505 OE1 GLN A 506 50.344 41.868 53.225 1.00 58.50 O ATOM 1506 NE2 GLN A 506 48.166 41.687 52.827 1.00 57.68 N ATOM 1507 N LEU A 507 50.926 42.703 58.807 1.00 35.11 N ATOM 1508 CA LEU A 507 51.952 42.976 59.826 1.00 32.90 C ATOM 1509 C LEU A 507 51.478 42.609 61.209 1.00 32.31 C ATOM 1510 O LEU A 507 52.136 41.729 61.799 1.00 32.90 O ATOM 1511 CB LEU A 507 52.368 44.441 59.738 1.00 33.00 C ATOM 1512 CG LEU A 507 53.124 44.781 58.436 1.00 30.90 C ATOM 1513 CD1 LEU A 507 53.407 46.266 58.363 1.00 33.64 C ATOM 1514 CD2 LEU A 507 54.326 43.898 58.353 1.00 26.56 C ATOM 1515 N LEU A 508 50.381 43.190 61.720 1.00 29.06 N ATOM 1516 CA LEU A 508 49.943 42.806 63.067 1.00 29.08 C ATOM 1517 C LEU A 508 49.768 41.341 63.326 1.00 31.97 C ATOM 1518 O LEU A 508 50.337 40.833 64.325 1.00 31.14 O ATOM 1519 CB LEU A 508 48.726 43.606 63.452 1.00 29.57 C ATOM 1520 CG LEU A 508 48.966 45.119 63.181 1.00 30.98 C ATOM 1521 CD1 LEU A 508 47.708 45.877 63.540 1.00 28.17 C ATOM 1522 CD2 LEU A 508 50.185 45.594 63.945 1.00 25.29 C ATOM 1523 N LEU A 509 49.333 40.542 62.333 1.00 31.90 N ATOM 1524 CA LEU A 509 49.247 39.089 62.497 1.00 27.26 C ATOM 1525 C LEU A 509 50.588 38.474 62.724 1.00 28.18 C ATOM 1526 O LEU A 509 50.694 37.425 63.363 1.00 31.85 O ATOM 1527 CB LEU A 509 48.561 38.422 61.318 1.00 23.15 C ATOM 1528 CG LEU A 509 47.064 38.638 61.213 1.00 25.76 C ATOM 1529 CD1 LEU A 509 46.469 37.882 60.057 1.00 24.02 C ATOM 1530 CD2 LEU A 509 46.383 38.201 62.553 1.00 22.70 C ATOM 1531 N ILE A 510 51.638 39.130 62.234 1.00 31.59 N ATOM 1532 CA ILE A 510 52.997 38.574 62.437 1.00 31.40 C ATOM 1533 C ILE A 510 53.334 38.772 63.913 1.00 30.63 C ATOM 1534 O ILE A 510 54.010 37.877 64.420 1.00 31.28 O ATOM 1535 CB ILE A 510 54.010 39.169 61.483 1.00 34.47 C ATOM 1536 CG1 ILE A 510 53.979 38.367 60.163 1.00 37.44 C ATOM 1537 CG2 ILE A 510 55.464 39.221 61.979 1.00 36.20 C ATOM 1538 CD1 ILE A 510 54.284 39.292 58.957 1.00 38.44 C ATOM 1539 N LEU A 511 52.783 39.785 64.592 1.00 27.44 N ATOM 1540 CA LEU A 511 53.047 39.907 66.021 1.00 28.51 C ATOM 1541 C LEU A 511 52.535 38.703 66.757 1.00 32.18 C ATOM 1542 O LEU A 511 53.240 38.241 67.686 1.00 38.66 O ATOM 1543 CB LEU A 511 52.586 41.207 66.631 1.00 27.31 C ATOM 1544 CG LEU A 511 53.002 42.452 65.796 1.00 28.29 C ATOM 1545 CD1 LEU A 511 52.496 43.707 66.420 1.00 24.10 C ATOM 1546 CD2 LEU A 511 54.528 42.469 65.580 1.00 24.27 C ATOM 1547 N SER A 512 51.468 38.078 66.371 1.00 34.01 N ATOM 1548 CA SER A 512 50.960 36.841 66.927 1.00 34.05 C ATOM 1549 C SER A 512 51.986 35.743 66.920 1.00 32.61 C ATOM 1550 O SER A 512 52.133 35.062 67.931 1.00 36.28 O ATOM 1551 CB SER A 512 49.730 36.415 66.073 1.00 36.45 C ATOM 1552 OG SER A 512 48.657 36.567 67.007 1.00 41.54 O ATOM 1553 N HIS A 513 52.716 35.584 65.839 1.00 32.89 N ATOM 1554 CA HIS A 513 53.766 34.577 65.746 1.00 33.89 C ATOM 1555 C HIS A 513 54.969 34.971 66.579 1.00 33.11 C ATOM 1556 O HIS A 513 55.588 34.159 67.263 1.00 34.48 O ATOM 1557 CB HIS A 513 54.201 34.456 64.285 1.00 37.72 C ATOM 1558 CG HIS A 513 53.098 34.018 63.383 1.00 40.23 C ATOM 1559 ND1 HIS A 513 52.317 32.930 63.699 1.00 45.67 N ATOM 1560 CD2 HIS A 513 52.646 34.429 62.190 1.00 43.55 C ATOM 1561 CE1 HIS A 513 51.403 32.727 62.765 1.00 44.13 C ATOM 1562 NE2 HIS A 513 51.605 33.640 61.829 1.00 44.41 N ATOM 1563 N ILE A 514 55.288 36.268 66.530 1.00 33.10 N ATOM 1564 CA ILE A 514 56.433 36.756 67.334 1.00 31.94 C ATOM 1565 C ILE A 514 56.104 36.408 68.766 1.00 32.61 C ATOM 1566 O ILE A 514 56.828 35.680 69.447 1.00 31.73 O ATOM 1567 CB ILE A 514 56.732 38.208 66.994 1.00 30.68 C ATOM 1568 CG1 ILE A 514 57.427 38.276 65.644 1.00 32.27 C ATOM 1569 CG2 ILE A 514 57.654 38.845 68.035 1.00 32.24 C ATOM 1570 CD1 ILE A 514 57.666 39.646 65.073 1.00 31.53 C ATOM 1571 N ARG A 515 54.915 36.824 69.255 1.00 33.02 N ATOM 1572 CA ARG A 515 54.554 36.406 70.609 1.00 32.91 C ATOM 1573 C ARG A 515 54.736 34.913 70.832 1.00 33.04 C ATOM 1574 O ARG A 515 55.158 34.423 71.871 1.00 30.76 O ATOM 1575 CB ARG A 515 53.047 36.671 70.737 1.00 36.94 C ATOM 1576 CG ARG A 515 52.620 36.398 72.202 1.00 34.83 C ATOM 1577 CD ARG A 515 53.103 37.571 72.993 1.00 33.43 C ATOM 1578 NE ARG A 515 52.093 37.859 74.004 1.00 38.70 N ATOM 1579 CZ ARG A 515 51.518 39.040 74.027 1.00 40.22 C ATOM 1580 NH1 ARG A 515 51.830 39.947 73.130 1.00 44.71 N ATOM 1581 NH2 ARG A 515 50.638 39.215 74.964 1.00 46.87 N ATOM 1582 N HIS A 516 54.238 34.150 69.837 1.00 36.19 N ATOM 1583 CA HIS A 516 54.282 32.686 69.913 1.00 36.21 C ATOM 1584 C HIS A 516 55.707 32.263 70.118 1.00 35.50 C ATOM 1585 O HIS A 516 55.992 31.511 71.047 1.00 38.53 O ATOM 1586 CB HIS A 516 53.671 32.077 68.655 1.00 39.92 C ATOM 1587 CG HIS A 516 53.546 30.583 68.789 1.00 43.85 C ATOM 1588 ND1 HIS A 516 52.560 30.007 69.565 1.00 45.49 N ATOM 1589 CD2 HIS A 516 54.254 29.565 68.272 1.00 43.36 C ATOM 1590 CE1 HIS A 516 52.671 28.702 69.525 1.00 42.83 C ATOM 1591 NE2 HIS A 516 53.682 28.417 68.754 1.00 44.73 N ATOM 1592 N MET A 517 56.642 32.758 69.280 1.00 34.02 N ATOM 1593 CA MET A 517 58.044 32.363 69.496 1.00 33.79 C ATOM 1594 C MET A 517 58.582 32.756 70.860 1.00 33.49 C ATOM 1595 O MET A 517 59.128 31.928 71.588 1.00 35.14 O ATOM 1596 CB MET A 517 58.907 32.894 68.379 1.00 33.68 C ATOM 1597 CG MET A 517 58.635 32.256 67.047 1.00 34.56 C ATOM 1598 SD MET A 517 59.379 33.052 65.684 1.00 39.78 S ATOM 1599 CE MET A 517 58.650 34.676 65.728 1.00 36.45 C ATOM 1600 N SER A 518 58.287 33.932 71.391 1.00 32.17 N ATOM 1601 CA SER A 518 58.814 34.255 72.728 1.00 33.21 C ATOM 1602 C SER A 518 58.258 33.351 73.810 1.00 34.37 C ATOM 1603 O SER A 518 59.026 32.919 74.699 1.00 30.18 O ATOM 1604 CB SER A 518 58.660 35.740 73.023 1.00 31.26 C ATOM 1605 OG SER A 518 58.344 35.917 74.367 1.00 28.79 O ATOM 1606 N ASN A 519 56.954 33.031 73.778 1.00 32.58 N ATOM 1607 CA ASN A 519 56.470 32.071 74.778 1.00 33.07 C ATOM 1608 C ASN A 519 57.147 30.732 74.586 1.00 37.75 C ATOM 1609 O ASN A 519 57.570 30.029 75.506 1.00 35.09 O ATOM 1610 CB ASN A 519 54.992 31.804 74.532 1.00 34.03 C ATOM 1611 CG ASN A 519 54.162 33.022 74.946 1.00 32.85 C ATOM 1612 OD1 ASN A 519 54.541 33.610 75.938 1.00 29.80 O ATOM 1613 ND2 ASN A 519 53.088 33.307 74.226 1.00 33.79 N ATOM 1614 N LYS A 520 57.315 30.322 73.285 1.00 41.23 N ATOM 1615 CA LYS A 520 57.986 28.990 73.213 1.00 44.55 C ATOM 1616 C LYS A 520 59.387 29.139 73.775 1.00 46.06 C ATOM 1617 O LYS A 520 59.917 28.260 74.463 1.00 49.52 O ATOM 1618 CB LYS A 520 57.968 28.446 71.812 1.00 47.67 C ATOM 1619 CG LYS A 520 56.670 27.855 71.277 1.00 49.96 C ATOM 1620 CD LYS A 520 55.721 27.402 72.365 1.00 52.10 C ATOM 1621 CE LYS A 520 55.319 25.943 72.184 1.00 56.23 C ATOM 1622 NZ LYS A 520 55.534 25.198 73.469 1.00 59.42 N ATOM 1623 N GLY A 521 60.058 30.267 73.515 1.00 41.38 N ATOM 1624 CA GLY A 521 61.432 30.412 73.867 1.00 39.78 C ATOM 1625 C GLY A 521 61.658 30.534 75.347 1.00 40.02 C ATOM 1626 O GLY A 521 62.701 30.165 75.890 1.00 41.28 O ATOM 1627 N MET A 522 60.678 31.118 75.998 1.00 41.42 N ATOM 1628 CA MET A 522 60.768 31.349 77.433 1.00 42.08 C ATOM 1629 C MET A 522 60.717 30.041 78.162 1.00 49.07 C ATOM 1630 O MET A 522 61.509 29.838 79.085 1.00 56.07 O ATOM 1631 CB MET A 522 59.684 32.291 77.829 1.00 39.53 C ATOM 1632 CG MET A 522 60.157 33.731 77.541 1.00 42.45 C ATOM 1633 SD MET A 522 59.509 34.694 78.912 1.00 49.75 S ATOM 1634 CE MET A 522 58.965 36.121 77.995 1.00 43.03 C ATOM 1635 N GLU A 523 59.893 29.147 77.687 1.00 54.39 N ATOM 1636 CA GLU A 523 59.767 27.782 78.081 1.00 58.80 C ATOM 1637 C GLU A 523 61.095 27.061 77.843 1.00 60.25 C ATOM 1638 O GLU A 523 61.546 26.303 78.661 1.00 61.66 O ATOM 1639 CB GLU A 523 58.760 27.032 77.156 1.00 60.53 C ATOM 1640 CG GLU A 523 57.490 26.591 77.833 1.00 65.10 C ATOM 1641 CD GLU A 523 56.457 26.095 76.829 1.00 70.51 C ATOM 1642 OE1 GLU A 523 56.619 24.909 76.435 1.00 72.53 O ATOM 1643 OE2 GLU A 523 55.526 26.874 76.438 1.00 69.51 O ATOM 1644 N HIS A 524 61.659 27.262 76.658 1.00 64.23 N ATOM 1645 CA HIS A 524 62.914 26.551 76.369 1.00 68.36 C ATOM 1646 C HIS A 524 64.007 27.149 77.237 1.00 68.67 C ATOM 1647 O HIS A 524 64.733 26.419 77.903 1.00 66.17 O ATOM 1648 CB HIS A 524 63.178 26.544 74.894 1.00 71.77 C ATOM 1649 CG HIS A 524 64.579 26.275 74.474 1.00 76.25 C ATOM 1650 ND1 HIS A 524 65.129 26.831 73.329 1.00 77.80 N ATOM 1651 CD2 HIS A 524 65.544 25.505 75.037 1.00 78.01 C ATOM 1652 CE1 HIS A 524 66.375 26.406 73.210 1.00 79.59 C ATOM 1653 NE2 HIS A 524 66.650 25.604 74.228 1.00 80.79 N ATOM 1654 N LEU A 525 64.000 28.462 77.419 1.00 69.72 N ATOM 1655 CA LEU A 525 64.976 29.072 78.309 1.00 73.19 C ATOM 1656 C LEU A 525 64.853 28.613 79.748 1.00 78.52 C ATOM 1657 O LEU A 525 65.872 28.438 80.422 1.00 78.86 O ATOM 1658 CB LEU A 525 64.874 30.586 78.208 1.00 69.41 C ATOM 1659 CG LEU A 525 66.064 31.385 77.682 1.00 65.43 C ATOM 1660 CD1 LEU A 525 66.814 30.680 76.575 1.00 62.25 C ATOM 1661 CD2 LEU A 525 65.590 32.752 77.232 1.00 63.11 C ATOM 1662 N TYR A 526 63.651 28.440 80.291 1.00 85.31 N ATOM 1663 CA TYR A 526 63.483 28.045 81.682 1.00 90.81 C ATOM 1664 C TYR A 526 63.638 26.558 81.891 1.00 91.90 C ATOM 1665 O TYR A 526 64.032 26.161 82.998 1.00 92.38 O ATOM 1666 CB TYR A 526 62.194 28.564 82.270 1.00 97.06 C ATOM 1667 CG TYR A 526 62.120 30.071 82.388 1.00104.66 C ATOM 1668 CD1 TYR A 526 63.144 30.909 81.961 1.00106.68 C ATOM 1669 CD2 TYR A 526 60.990 30.678 82.945 1.00107.36 C ATOM 1670 CE1 TYR A 526 63.055 32.271 82.078 1.00108.14 C ATOM 1671 CE2 TYR A 526 60.893 32.052 83.067 1.00109.12 C ATOM 1672 CZ TYR A 526 61.937 32.845 82.629 1.00109.89 C ATOM 1673 OH TYR A 526 61.841 34.218 82.752 1.00111.92 O ATOM 1674 N SER A 527 63.511 25.754 80.846 1.00 92.46 N ATOM 1675 CA SER A 527 63.790 24.328 80.992 1.00 95.45 C ATOM 1676 C SER A 527 65.289 24.118 81.235 1.00 99.20 C ATOM 1677 O SER A 527 65.687 23.257 82.013 1.00100.79 O ATOM 1678 CB SER A 527 63.296 23.511 79.819 1.00 93.04 C ATOM 1679 OG SER A 527 63.891 23.821 78.591 1.00 90.22 O ATOM 1680 N MET A 528 66.130 24.898 80.579 1.00102.07 N ATOM 1681 CA MET A 528 67.568 24.846 80.673 1.00102.85 C ATOM 1682 C MET A 528 68.047 25.302 82.050 1.00105.63 C ATOM 1683 O MET A 528 68.088 24.486 82.976 1.00108.44 O ATOM 1684 CB MET A 528 68.203 25.715 79.584 1.00100.04 C ATOM 1685 CG MET A 528 68.106 25.183 78.174 1.00 97.06 C ATOM 1686 SD MET A 528 68.537 26.345 76.869 1.00 93.64 S ATOM 1687 CE MET A 528 69.354 27.655 77.751 1.00 94.41 C ATOM 1688 N PRO A 535 63.567 37.472 88.984 1.00 87.02 N ATOM 1689 CA PRO A 535 64.688 38.390 89.191 1.00 83.59 C ATOM 1690 C PRO A 535 64.668 39.490 88.133 1.00 77.41 C ATOM 1691 O PRO A 535 64.982 40.657 88.436 1.00 76.08 O ATOM 1692 CB PRO A 535 65.996 37.567 89.158 1.00 85.89 C ATOM 1693 CG PRO A 535 65.508 36.152 89.030 1.00 87.24 C ATOM 1694 CD PRO A 535 64.069 36.136 88.567 1.00 87.96 C ATOM 1695 N LEU A 536 64.112 39.148 86.959 1.00 68.79 N ATOM 1696 CA LEU A 536 64.158 40.084 85.833 1.00 61.48 C ATOM 1697 C LEU A 536 63.555 41.427 86.201 1.00 56.92 C ATOM 1698 O LEU A 536 64.072 42.485 85.817 1.00 51.92 O ATOM 1699 CB LEU A 536 63.499 39.485 84.625 1.00 61.82 C ATOM 1700 CG LEU A 536 63.456 40.289 83.359 1.00 61.94 C ATOM 1701 CD1 LEU A 536 64.733 41.039 83.096 1.00 66.59 C ATOM 1702 CD2 LEU A 536 63.167 39.343 82.203 1.00 65.06 C ATOM 1703 N TYR A 537 62.461 41.317 86.973 1.00 52.04 N ATOM 1704 CA TYR A 537 61.734 42.468 87.440 1.00 49.60 C ATOM 1705 C TYR A 537 62.672 43.440 88.136 1.00 52.75 C ATOM 1706 O TYR A 537 62.753 44.649 87.884 1.00 46.82 O ATOM 1707 CB TYR A 537 60.631 42.061 88.410 1.00 46.96 C ATOM 1708 CG TYR A 537 59.869 43.265 88.887 1.00 48.55 C ATOM 1709 CD1 TYR A 537 60.333 44.054 89.909 1.00 51.84 C ATOM 1710 CD2 TYR A 537 58.668 43.647 88.318 1.00 53.37 C ATOM 1711 CE1 TYR A 537 59.665 45.180 90.357 1.00 54.70 C ATOM 1712 CE2 TYR A 537 57.946 44.761 88.732 1.00 54.40 C ATOM 1713 CZ TYR A 537 58.468 45.525 89.751 1.00 57.28 C ATOM 1714 OH TYR A 537 57.796 46.659 90.174 1.00 60.33 O ATOM 1715 N ASP A 538 63.393 42.826 89.102 1.00 58.32 N ATOM 1716 CA ASP A 538 64.281 43.628 89.951 1.00 62.64 C ATOM 1717 C ASP A 538 65.375 44.203 89.079 1.00 61.73 C ATOM 1718 O ASP A 538 65.730 45.378 89.192 1.00 64.00 O ATOM 1719 CB ASP A 538 64.775 42.811 91.106 1.00 70.68 C ATOM 1720 CG ASP A 538 63.674 42.219 91.974 1.00 75.57 C ATOM 1721 OD1 ASP A 538 62.509 42.664 91.885 1.00 75.31 O ATOM 1722 OD2 ASP A 538 64.007 41.294 92.777 1.00 78.95 O ATOM 1723 N LEU A 539 65.864 43.356 88.177 1.00 58.42 N ATOM 1724 CA LEU A 539 66.891 43.778 87.247 1.00 56.11 C ATOM 1725 C LEU A 539 66.464 44.977 86.424 1.00 55.33 C ATOM 1726 O LEU A 539 67.198 45.960 86.300 1.00 56.67 O ATOM 1727 CB LEU A 539 67.152 42.613 86.314 1.00 59.46 C ATOM 1728 CG LEU A 539 68.591 42.098 86.337 1.00 63.12 C ATOM 1729 CD1 LEU A 539 68.627 40.824 85.472 1.00 66.12 C ATOM 1730 CD2 LEU A 539 69.575 43.132 85.869 1.00 63.42 C ATOM 1731 N LEU A 540 65.286 44.888 85.814 1.00 52.86 N ATOM 1732 CA LEU A 540 64.782 45.949 84.965 1.00 50.07 C ATOM 1733 C LEU A 540 64.505 47.193 85.780 1.00 50.03 C ATOM 1734 O LEU A 540 64.704 48.340 85.350 1.00 45.66 O ATOM 1735 CB LEU A 540 63.513 45.418 84.280 1.00 51.61 C ATOM 1736 CG LEU A 540 63.707 44.278 83.279 1.00 50.39 C ATOM 1737 CD1 LEU A 540 62.415 43.605 82.952 1.00 47.32 C ATOM 1738 CD2 LEU A 540 64.353 44.785 81.982 1.00 52.21 C ATOM 1739 N LEU A 541 64.026 46.945 87.007 1.00 52.25 N ATOM 1740 CA LEU A 541 63.724 48.073 87.898 1.00 56.18 C ATOM 1741 C LEU A 541 65.035 48.788 88.182 1.00 57.88 C ATOM 1742 O LEU A 541 65.174 50.004 88.001 1.00 58.33 O ATOM 1743 CB LEU A 541 63.083 47.605 89.201 1.00 59.40 C ATOM 1744 CG LEU A 541 62.606 48.642 90.209 1.00 59.00 C ATOM 1745 CD1 LEU A 541 62.558 50.048 89.660 1.00 60.26 C ATOM 1746 CD2 LEU A 541 61.208 48.296 90.704 1.00 58.85 C ATOM 1747 N GLU A 542 66.025 47.944 88.573 1.00 56.65 N ATOM 1748 CA GLU A 542 67.343 48.545 88.816 1.00 57.17 C ATOM 1749 C GLU A 542 67.772 49.230 87.534 1.00 58.47 C ATOM 1750 O GLU A 542 67.976 50.450 87.489 1.00 60.82 O ATOM 1751 CB GLU A 542 68.331 47.543 89.336 1.00 56.35 C ATOM 1752 N MET A 543 67.805 48.491 86.424 1.00 57.50 N ATOM 1753 CA MET A 543 68.200 49.160 85.176 1.00 60.04 C ATOM 1754 C MET A 543 67.372 50.368 84.796 1.00 59.48 C ATOM 1755 O MET A 543 67.911 51.423 84.433 1.00 51.56 O ATOM 1756 CB MET A 543 68.226 48.108 84.077 1.00 62.92 C ATOM 1757 CG MET A 543 69.541 47.326 84.027 1.00 65.16 C ATOM 1758 SD MET A 543 69.416 46.065 82.729 1.00 65.51 S ATOM 1759 CE MET A 543 68.490 44.802 83.540 1.00 63.57 C ATOM 1760 N LEU A 544 66.019 50.253 84.860 1.00 61.14 N ATOM 1761 CA LEU A 544 65.209 51.402 84.496 1.00 62.86 C ATOM 1762 C LEU A 544 65.454 52.572 85.437 1.00 68.07 C ATOM 1763 O LEU A 544 65.323 53.711 84.983 1.00 66.46 O ATOM 1764 CB LEU A 544 63.749 51.090 84.425 1.00 61.05 C ATOM 1765 CG LEU A 544 63.154 50.387 83.217 1.00 58.33 C ATOM 1766 CD1 LEU A 544 61.836 49.732 83.583 1.00 54.05 C ATOM 1767 CD2 LEU A 544 62.994 51.351 82.067 1.00 58.50 C ATOM 1768 N ASP A 545 65.666 52.308 86.735 1.00 75.95 N ATOM 1769 CA ASP A 545 65.833 53.447 87.631 1.00 84.89 C ATOM 1770 C ASP A 545 67.189 54.101 87.404 1.00 87.87 C ATOM 1771 O ASP A 545 67.231 55.336 87.351 1.00 88.95 O ATOM 1772 CB ASP A 545 65.567 53.176 89.095 1.00 89.55 C ATOM 1773 CG ASP A 545 64.831 54.302 89.816 1.00 92.87 C ATOM 1774 OD1 ASP A 545 64.559 55.367 89.211 1.00 93.84 O ATOM 1775 OD2 ASP A 545 64.502 54.146 91.022 1.00 94.22 O ATOM 1776 N ALA A 546 68.241 53.319 87.265 1.00 91.11 N ATOM 1777 CA ALA A 546 69.593 53.826 87.034 1.00 94.05 C ATOM 1778 C ALA A 546 69.635 54.811 85.873 1.00 95.87 C ATOM 1779 O ALA A 546 70.073 55.952 86.001 1.00 97.17 O ATOM 1780 CB ALA A 546 70.548 52.674 86.773 1.00 94.06 C ATOM 1781 N HIS A 547 69.124 54.397 84.727 1.00 97.69 N ATOM 1782 CA HIS A 547 68.937 55.242 83.573 1.00 99.06 C ATOM 1783 C HIS A 547 68.772 56.714 83.958 1.00 98.07 C ATOM 1784 O HIS A 547 69.164 57.583 83.141 1.00 95.96 O ATOM 1785 CB HIS A 547 67.659 54.755 82.832 1.00100.43 C ATOM 1786 CG HIS A 547 67.688 55.178 81.391 1.00101.48 C ATOM 1787 ND1 HIS A 547 66.758 56.004 80.799 1.00100.77 N ATOM 1788 CD2 HIS A 547 68.612 54.876 80.435 1.00101.27 C ATOM 1789 CE1 HIS A 547 67.106 56.182 79.536 1.00100.97 C ATOM 1790 NE2 HIS A 547 68.224 55.513 79.293 1.00100.81 N TER 3789 ALA B 551 HETATM 3790 C1 RAL A 600 69.571 36.223 71.917 1.00 31.33 C HETATM 3791 C2 RAL A 600 69.816 37.448 71.352 1.00 30.47 C HETATM 3792 C3 RAL A 600 69.083 37.933 70.305 1.00 31.66 C HETATM 3793 O3 RAL A 600 69.410 39.186 69.850 1.00 32.81 O HETATM 3794 C4 RAL A 600 68.029 37.167 69.794 1.00 33.99 C HETATM 3795 C5 RAL A 600 67.765 35.956 70.385 1.00 33.49 C HETATM 3796 S6 RAL A 600 66.638 34.815 69.986 1.00 33.96 S HETATM 3797 C7 RAL A 600 67.001 33.691 71.192 1.00 34.48 C HETATM 3798 C8 RAL A 600 66.347 32.356 71.301 1.00 35.62 C HETATM 3799 C9 RAL A 600 66.087 31.727 70.099 1.00 35.20 C HETATM 3800 C10 RAL A 600 65.560 30.446 70.128 1.00 38.32 C HETATM 3801 C11 RAL A 600 65.259 29.817 71.320 1.00 39.44 C HETATM 3802 O11 RAL A 600 64.735 28.525 71.249 1.00 46.17 O HETATM 3803 C12 RAL A 600 65.562 30.428 72.519 1.00 36.17 C HETATM 3804 C13 RAL A 600 66.106 31.706 72.480 1.00 34.51 C HETATM 3805 C14 RAL A 600 68.556 35.468 71.464 1.00 31.87 C HETATM 3806 C15 RAL A 600 68.128 34.150 71.906 1.00 33.10 C HETATM 3807 C16 RAL A 600 68.771 33.463 72.918 1.00 36.94 C HETATM 3808 O16 RAL A 600 69.368 32.412 72.653 1.00 40.67 O HETATM 3809 C17 RAL A 600 68.768 33.917 74.313 1.00 36.96 C HETATM 3810 C18 RAL A 600 69.621 33.351 75.239 1.00 34.73 C HETATM 3811 C19 RAL A 600 69.633 33.745 76.563 1.00 34.67 C HETATM 3812 C20 RAL A 600 68.733 34.725 76.978 1.00 37.20 C HETATM 3813 C21 RAL A 600 67.879 35.305 76.057 1.00 40.93 C HETATM 3814 C22 RAL A 600 67.907 34.910 74.730 1.00 39.84 C HETATM 3815 O23 RAL A 600 68.555 35.259 78.220 1.00 36.45 O HETATM 3816 C24 RAL A 600 69.461 34.837 79.228 1.00 38.03 C HETATM 3817 C25 RAL A 600 69.311 35.692 80.458 1.00 43.08 C HETATM 3818 N26 RAL A 600 69.023 37.110 80.557 1.00 46.61 N HETATM 3819 C27 RAL A 600 68.720 37.437 81.965 1.00 47.65 C HETATM 3820 C28 RAL A 600 68.544 38.946 82.229 1.00 48.95 C HETATM 3821 C29 RAL A 600 67.338 39.404 81.393 1.00 50.06 C HETATM 3822 C30 RAL A 600 67.804 39.197 79.919 1.00 50.91 C HETATM 3823 C31 RAL A 600 67.960 37.681 79.707 1.00 50.67 C HETATM 3858 O HOH A 1 78.671 45.635 73.728 1.00 18.41 O HETATM 3859 O HOH A 2 65.939 43.852 69.249 1.00 23.40 O HETATM 3860 O HOH A 3 67.879 41.641 69.144 1.00 32.98 O HETATM 3861 O HOH A 4 72.161 43.516 68.328 1.00 32.96 O HETATM 3862 O HOH A 6 49.117 45.566 50.606 1.00 44.30 O HETATM 3863 O HOH A 7 66.937 34.473 57.692 1.00 38.73 O HETATM 3864 O HOH A 8 69.523 44.664 70.139 1.00 37.12 O HETATM 3865 O HOH A 9 73.684 41.492 67.111 1.00 46.69 O HETATM 3866 O HOH A 10 52.332 42.566 71.041 1.00 39.72 O HETATM 3867 O HOH A 11 77.230 47.810 75.360 1.00 41.93 O HETATM 3868 O HOH A 12 68.753 44.504 65.387 1.00 47.61 O HETATM 3869 O HOH A 13 76.079 37.937 81.002 1.00 48.27 O HETATM 3870 O HOH A 14 70.480 45.943 67.468 1.00 53.17 O HETATM 3871 O HOH A 15 56.336 35.571 76.185 1.00 44.22 O HETATM 3872 O HOH A 17 48.191 42.643 49.929 1.00 66.50 O HETATM 3873 O HOH A 18 42.953 57.811 69.507 1.00 88.95 O HETATM 3874 O HOH A 19 66.169 45.843 67.240 1.00 30.54 O HETATM 3875 O HOH A 20 63.477 52.158 67.006 1.00 37.54 O HETATM 3876 O HOH A 21 79.511 32.798 62.361 1.00 58.45 O HETATM 3877 O HOH A 22 79.665 44.463 70.700 1.00 50.89 O HETATM 3878 O HOH A 23 59.043 57.930 76.285 1.00 75.57 O HETATM 3879 O HOH A 24 60.390 37.277 84.122 1.00 43.42 O HETATM 3880 O HOH A 25 76.899 29.211 59.311 1.00 72.06 O HETATM 3881 O HOH A 26 53.280 40.076 69.802 1.00 43.07 O HETATM 3882 O HOH A 27 45.293 51.300 66.697 1.00 40.03 O HETATM 3883 O HOH A 28 47.486 57.944 58.839 1.00 56.99 O HETATM 3884 O HOH A 29 47.155 44.689 45.733 1.00 81.53 O HETATM 3885 O HOH A 31 54.862 44.533 76.824 1.00 38.59 O HETATM 3886 O HOH A 32 81.320 34.485 67.792 1.00 53.56 O HETATM 3887 O HOH A 33 78.189 37.052 73.346 1.00 55.28 O HETATM 3888 O HOH A 34 59.058 38.545 75.613 1.00 27.41 O HETATM 3889 O HOH A 36 48.376 56.369 48.335 1.00 74.84 O HETATM 3890 O HOH A 37 45.334 56.547 54.616 1.00 51.79 O HETATM 3891 O HOH A 38 68.751 46.528 72.429 1.00 61.72 O HETATM 3892 O HOH A 39 68.749 48.138 63.262 1.00 75.75 O HETATM 3893 O HOH A 40 71.042 50.167 64.313 1.00 57.30 O HETATM 3894 O HOH A 41 51.867 54.038 84.504 1.00 55.62 O HETATM 3895 O HOH A 43 65.977 46.032 71.358 1.00 39.14 O HETATM 3896 O HOH A 44 51.878 43.672 50.996 1.00 56.18 O HETATM 3897 O HOH A 45 80.471 31.343 76.488 1.00 42.36 O HETATM 3898 O HOH A 46 71.303 44.041 59.439 1.00 70.71 O HETATM 3899 O HOH A 47 41.452 53.507 71.888 1.00 75.54 O HETATM 3900 O HOH A 48 82.937 41.654 71.088 1.00 75.67 O HETATM 3901 O HOH A 49 65.172 34.557 81.617 1.00 57.84 O HETATM 3902 O HOH A 50 67.048 50.080 60.811 1.00 49.02 O HETATM 3903 O HOH A 51 55.298 50.332 52.676 1.00 48.09 O HETATM 3904 O HOH A 52 56.566 48.350 50.527 1.00 62.34 O HETATM 3905 O HOH A 53 69.733 31.591 80.417 1.00 84.65 O HETATM 3906 O HOH A 54 54.694 40.240 86.738 1.00 70.28 O HETATM 3907 O HOH A 55 59.333 24.933 73.595 1.00 57.45 O HETATM 3908 O HOH A 56 70.409 51.391 81.779 1.00 59.24 O CONECT 576 583 575 577 CONECT 596 598 597 584 CONECT 584 596 583 585 CONECT 585 587 584 586 CONECT 588 590 586 CONECT 589 591 587 CONECT 590 594 592 588 CONECT 591 593 595 589 CONECT 583 576 584 CONECT 597 596 CONECT 592 590 CONECT 593 591 CONECT 594 590 CONECT 595 591 CONECT 586 588 585 CONECT 587 585 589 CONECT 598 599 596 CONECT 3790 3791 3805 CONECT 3800 3801 3799 CONECT 3801 3800 3803 3802 CONECT 3803 3801 3804 CONECT 3804 3798 3803 CONECT 3805 3806 3795 3790 CONECT 3806 3807 3797 3805 CONECT 3807 3806 3809 3808 CONECT 3809 3810 3807 3814 CONECT 3810 3811 3809 CONECT 3811 3810 3812 CONECT 3791 3792 3790 CONECT 3812 3811 3815 3813 CONECT 3813 3812 3814 CONECT 3814 3809 3813 CONECT 3816 3815 3817 CONECT 3817 3818 3816 CONECT 3819 3818 3820 CONECT 3820 3819 3821 CONECT 3821 3822 3820 CONECT 3792 3791 3793 3794 CONECT 3822 3821 3823 CONECT 3823 3818 3822 CONECT 3794 3792 3795 CONECT 3795 3796 3794 3805 CONECT 3797 3798 3806 3796 CONECT 3798 3799 3804 3797 CONECT 3799 3798 3800 CONECT 3818 3819 3823 3817 CONECT 3802 3801 CONECT 3808 3807 CONECT 3815 3816 3812 CONECT 3793 3792 CONECT 3796 3795 3797 END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |