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*** CELL ADHESION 08-OCT-08 3ETW ***elNémo ID: 2602171910443029004Job options:ID = 2602171910443029004 JOBID = CELL ADHESION 08-OCT-08 3ETW 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 CELL ADHESION 08-OCT-08 3ETW TITLE CRYSTAL STRUCTURE OF BACTERIAL ADHESIN FADA COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADHESIN A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: FUSOBACTERIUM NUCLEATUM; SOURCE 3 ORGANISM_TAXID: 851; SOURCE 4 GENE: FADA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21(B) KEYWDS ANTIPARALLEL HELIX-LOOP-HELIX, LEUCINE CHAIN, CELL ADHESIN, CELL KEYWDS 2 ADHESION EXPDTA X-RAY DIFFRACTION AUTHOR S.NITHIANANTHAM,M.XU,N.WU,M.SHOHAM,Y.W.HAN REVDAT 4 27-DEC-23 3ETW 1 REMARK SEQADV REVDAT 3 25-OCT-17 3ETW 1 REMARK REVDAT 2 24-FEB-09 3ETW 1 JRNL REVDAT 1 02-DEC-08 3ETW 0 SPRSDE 02-DEC-08 3ETW 2AVR JRNL AUTH S.NITHIANANTHAM,M.XU,M.YAMADA,A.IKEGAMI,M.SHOHAM,Y.W.HAN JRNL TITL CRYSTAL STRUCTURE OF FADA ADHESIN FROM FUSOBACTERIUM JRNL TITL 2 NUCLEATUM REVEALS A NOVEL OLIGOMERIZATION MOTIF, THE LEUCINE JRNL TITL 3 CHAIN. JRNL REF J.BIOL.CHEM. V. 284 3865 2009 JRNL REFN ISSN 0021-9258 JRNL PMID 18996848 JRNL DOI 10.1074/JBC.M805503200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.NITHIANANTHAM,M.XU,N.WU,Y.W.HAN,M.SHOHAM REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY DATA OF THE FADA REMARK 1 TITL 2 ADHESIN FROM FUSOBACTERIUM NUCLEATUM REMARK 1 REF ACTA CRYSTALLOGR.,SECT.F V. 62 1215 2006 REMARK 1 REFN ESSN 1744-3091 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.0 REMARK 3 NUMBER OF REFLECTIONS : 15819 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.225 REMARK 3 FREE R VALUE : 0.254 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.200 REMARK 3 FREE R VALUE TEST SET COUNT : 1563 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3380 REMARK 3 BIN FREE R VALUE : 0.3120 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 28 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 873 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 3 REMARK 3 SOLVENT ATOMS : 162 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 36.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 49.11 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 12.05500 REMARK 3 B22 (A**2) : 12.05500 REMARK 3 B33 (A**2) : -24.11100 REMARK 3 B12 (A**2) : 2.45900 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 REMARK 3 ESD FROM SIGMAA (A) : 0.35 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.32 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.39 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.012 REMARK 3 BOND ANGLES (DEGREES) : 1.140 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.985 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.775 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.687 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.625 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 58.71 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : SCN.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : SCN.TOP REMARK 3 TOPOLOGY FILE 3 : CNS_TOPPAR:WATER.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3ETW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-OCT-08. REMARK 100 THE DEPOSITION ID IS D_1000049761. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-AUG-05; 14-JAN-05 REMARK 200 TEMPERATURE (KELVIN) : 100; 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : APS; ALS REMARK 200 BEAMLINE : 19-BM; 4.2.2 REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0332; 0.92871, 0.91999, REMARK 200 0.91979 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL (SI-111); DOUBLE REMARK 200 CRYSTAL (SI-111) REMARK 200 OPTICS : 3 X 3 MOSAIC; NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : SBC-2; NOIR-1 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15871 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 29.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.0 REMARK 200 DATA REDUNDANCY : 6.600 REMARK 200 R MERGE (I) : 0.04500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 63.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.90 REMARK 200 R MERGE FOR SHELL (I) : 0.27500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.813 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE 2.06 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 73.82 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M SODIUM CITRATE PH 5.6, 0.5M REMARK 280 POTASSIUM THIOCYANATE, 5% DIOXANE, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 42.12467 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 84.24933 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 63.18700 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 105.31167 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 21.06233 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 THR A 2 REMARK 465 ASP A 3 REMARK 465 GLU A 113 REMARK 465 HIS A 114 REMARK 465 HIS A 115 REMARK 465 HIS A 116 REMARK 465 HIS A 117 REMARK 465 HIS A 118 REMARK 465 HIS A 119 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 ALA A 64 -19.15 -48.40 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 SCN A 130 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3ETX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BACTERIAL ADHESIN FADA L14A MUTANT REMARK 900 RELATED ID: 3ETY RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BACTERIAL ADHESIN FADA L14A MUTANT REMARK 900 RELATED ID: 3ETZ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BACTERIAL ADHESIN FADA L76A MUTANT DBREF 3ETW A 1 111 UNP Q5I6B0 Q5I6B0_FUSNU 19 129 SEQADV 3ETW LEU A 112 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW GLU A 113 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 114 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 115 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 116 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 117 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 118 UNP Q5I6B0 EXPRESSION TAG SEQADV 3ETW HIS A 119 UNP Q5I6B0 EXPRESSION TAG SEQRES 1 A 119 ALA THR ASP ALA ALA SER LEU VAL GLY GLU LEU GLN ALA SEQRES 2 A 119 LEU ASP ALA GLU TYR GLN ASN LEU ALA ASN GLN GLU GLU SEQRES 3 A 119 ALA ARG PHE ASN GLU GLU ARG ALA GLN ALA ASP ALA ALA SEQRES 4 A 119 ARG GLN ALA LEU ALA GLN ASN GLU GLN VAL TYR ASN GLU SEQRES 5 A 119 LEU SER GLN ARG ALA GLN ARG LEU GLN ALA GLU ALA ASN SEQRES 6 A 119 THR ARG PHE TYR LYS SER GLN TYR GLN GLU LEU ALA SER SEQRES 7 A 119 LYS TYR GLU ASP ALA LEU LYS LYS LEU GLU ALA GLU MET SEQRES 8 A 119 GLU GLN GLN LYS ALA VAL ILE SER ASP PHE GLU LYS ILE SEQRES 9 A 119 GLN ALA LEU ARG ALA GLY ASN LEU GLU HIS HIS HIS HIS SEQRES 10 A 119 HIS HIS HET SCN A 130 3 HETNAM SCN THIOCYANATE ION FORMUL 2 SCN C N S 1- FORMUL 3 HOH *162(H2 O) HELIX 1 1 ALA A 4 ALA A 64 1 61 HELIX 2 2 TYR A 69 GLY A 110 1 42 SITE 1 AC1 5 PHE A 29 ARG A 33 GLU A 75 SER A 78 SITE 2 AC1 5 GLN A 105 CRYST1 59.340 59.340 126.374 90.00 90.00 120.00 P 61 6 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 0.016852 0.009730 0.000000 0.00000 SCALE2 0.000000 0.019459 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007913 0.00000 ATOM 1 N ALA A 4 36.784 -20.124 51.878 1.00 73.58 N ATOM 2 CA ALA A 4 37.253 -19.895 53.280 1.00 73.82 C ATOM 3 C ALA A 4 37.880 -18.518 53.411 1.00 72.89 C ATOM 4 O ALA A 4 37.486 -17.724 54.267 1.00 72.53 O ATOM 5 CB ALA A 4 38.272 -20.971 53.695 1.00 73.36 C ATOM 6 N ALA A 5 38.869 -18.245 52.568 1.00 72.59 N ATOM 7 CA ALA A 5 39.552 -16.951 52.583 1.00 71.98 C ATOM 8 C ALA A 5 38.613 -15.913 51.978 1.00 70.13 C ATOM 9 O ALA A 5 38.587 -14.751 52.385 1.00 69.10 O ATOM 10 CB ALA A 5 40.855 -17.028 51.778 1.00 71.73 C ATOM 11 N SER A 6 37.842 -16.354 50.994 1.00 68.87 N ATOM 12 CA SER A 6 36.892 -15.486 50.343 1.00 68.43 C ATOM 13 C SER A 6 35.814 -15.144 51.366 1.00 66.99 C ATOM 14 O SER A 6 35.446 -13.979 51.515 1.00 67.26 O ATOM 15 CB SER A 6 36.250 -16.191 49.147 1.00 69.05 C ATOM 16 OG SER A 6 37.220 -16.559 48.183 1.00 74.68 O ATOM 17 N LEU A 7 35.319 -16.160 52.069 1.00 62.91 N ATOM 18 CA LEU A 7 34.275 -15.946 53.053 1.00 60.72 C ATOM 19 C LEU A 7 34.734 -14.895 54.050 1.00 59.74 C ATOM 20 O LEU A 7 33.977 -13.993 54.395 1.00 59.91 O ATOM 21 CB LEU A 7 33.926 -17.245 53.785 1.00 59.20 C ATOM 22 CG LEU A 7 32.431 -17.562 53.985 1.00 58.78 C ATOM 23 CD1 LEU A 7 32.284 -18.579 55.117 1.00 53.94 C ATOM 24 CD2 LEU A 7 31.631 -16.302 54.302 1.00 55.20 C ATOM 25 N VAL A 8 35.976 -14.988 54.500 1.00 58.12 N ATOM 26 CA VAL A 8 36.476 -14.010 55.453 1.00 57.97 C ATOM 27 C VAL A 8 36.434 -12.577 54.910 1.00 59.21 C ATOM 28 O VAL A 8 36.126 -11.631 55.651 1.00 59.77 O ATOM 29 CB VAL A 8 37.908 -14.340 55.886 1.00 58.26 C ATOM 30 CG1 VAL A 8 38.486 -13.193 56.689 1.00 56.99 C ATOM 31 CG2 VAL A 8 37.902 -15.598 56.745 1.00 58.67 C ATOM 32 N GLY A 9 36.747 -12.414 53.626 1.00 57.01 N ATOM 33 CA GLY A 9 36.733 -11.092 53.036 1.00 54.64 C ATOM 34 C GLY A 9 35.301 -10.630 52.871 1.00 54.35 C ATOM 35 O GLY A 9 35.006 -9.450 52.984 1.00 54.89 O ATOM 36 N GLU A 10 34.407 -11.567 52.587 1.00 52.73 N ATOM 37 CA GLU A 10 33.003 -11.239 52.423 1.00 52.31 C ATOM 38 C GLU A 10 32.464 -10.653 53.739 1.00 51.39 C ATOM 39 O GLU A 10 31.812 -9.605 53.757 1.00 49.39 O ATOM 40 CB GLU A 10 32.233 -12.497 52.057 1.00 54.10 C ATOM 41 CG GLU A 10 30.835 -12.251 51.552 1.00 60.05 C ATOM 42 CD GLU A 10 30.066 -13.536 51.329 1.00 65.83 C ATOM 43 OE1 GLU A 10 29.927 -14.309 52.298 1.00 71.01 O ATOM 44 OE2 GLU A 10 29.596 -13.781 50.194 1.00 69.67 O ATOM 45 N LEU A 11 32.770 -11.323 54.845 1.00 49.23 N ATOM 46 CA LEU A 11 32.312 -10.898 56.156 1.00 46.58 C ATOM 47 C LEU A 11 32.812 -9.531 56.564 1.00 47.75 C ATOM 48 O LEU A 11 32.055 -8.736 57.130 1.00 48.57 O ATOM 49 CB LEU A 11 32.692 -11.945 57.199 1.00 42.12 C ATOM 50 CG LEU A 11 32.011 -13.292 56.935 1.00 40.98 C ATOM 51 CD1 LEU A 11 32.468 -14.337 57.979 1.00 41.05 C ATOM 52 CD2 LEU A 11 30.504 -13.113 56.941 1.00 38.05 C ATOM 53 N GLN A 12 34.081 -9.248 56.287 1.00 48.46 N ATOM 54 CA GLN A 12 34.656 -7.962 56.625 1.00 50.81 C ATOM 55 C GLN A 12 34.021 -6.875 55.760 1.00 50.23 C ATOM 56 O GLN A 12 33.835 -5.759 56.214 1.00 51.84 O ATOM 57 CB GLN A 12 36.165 -7.975 56.404 1.00 53.08 C ATOM 58 CG GLN A 12 36.843 -9.104 57.157 1.00 59.39 C ATOM 59 CD GLN A 12 38.345 -9.138 56.951 1.00 62.15 C ATOM 60 OE1 GLN A 12 38.831 -9.163 55.813 1.00 60.49 O ATOM 61 NE2 GLN A 12 39.092 -9.149 58.057 1.00 63.31 N ATOM 62 N ALA A 13 33.696 -7.205 54.516 1.00 47.96 N ATOM 63 CA ALA A 13 33.064 -6.236 53.626 1.00 47.19 C ATOM 64 C ALA A 13 31.644 -5.957 54.130 1.00 46.37 C ATOM 65 O ALA A 13 31.198 -4.801 54.154 1.00 45.65 O ATOM 66 CB ALA A 13 33.003 -6.779 52.193 1.00 44.10 C ATOM 67 N LEU A 14 30.929 -7.015 54.510 1.00 43.43 N ATOM 68 CA LEU A 14 29.580 -6.833 54.994 1.00 42.54 C ATOM 69 C LEU A 14 29.610 -6.012 56.292 1.00 42.97 C ATOM 70 O LEU A 14 28.702 -5.215 56.547 1.00 40.11 O ATOM 71 CB LEU A 14 28.891 -8.181 55.209 1.00 41.40 C ATOM 72 CG LEU A 14 28.581 -8.987 53.941 1.00 42.58 C ATOM 73 CD1 LEU A 14 27.818 -10.251 54.341 1.00 38.35 C ATOM 74 CD2 LEU A 14 27.741 -8.156 52.951 1.00 35.62 C ATOM 75 N ASP A 15 30.661 -6.166 57.089 1.00 42.31 N ATOM 76 CA ASP A 15 30.753 -5.403 58.327 1.00 43.10 C ATOM 77 C ASP A 15 30.999 -3.929 58.058 1.00 45.68 C ATOM 78 O ASP A 15 30.517 -3.077 58.799 1.00 44.59 O ATOM 79 CB ASP A 15 31.867 -5.920 59.221 1.00 45.70 C ATOM 80 CG ASP A 15 31.785 -5.336 60.619 1.00 48.73 C ATOM 81 OD1 ASP A 15 30.822 -5.648 61.354 1.00 51.89 O ATOM 82 OD2 ASP A 15 32.672 -4.549 60.978 1.00 52.52 O ATOM 83 N ALA A 16 31.774 -3.634 57.012 1.00 45.42 N ATOM 84 CA ALA A 16 32.063 -2.262 56.635 1.00 44.91 C ATOM 85 C ALA A 16 30.751 -1.644 56.154 1.00 44.59 C ATOM 86 O ALA A 16 30.473 -0.489 56.446 1.00 45.17 O ATOM 87 CB ALA A 16 33.090 -2.225 55.513 1.00 46.79 C ATOM 88 N GLU A 17 29.960 -2.426 55.427 1.00 41.96 N ATOM 89 CA GLU A 17 28.669 -1.973 54.911 1.00 43.06 C ATOM 90 C GLU A 17 27.722 -1.681 56.072 1.00 44.17 C ATOM 91 O GLU A 17 27.021 -0.666 56.078 1.00 42.34 O ATOM 92 CB GLU A 17 28.026 -3.045 54.034 1.00 44.98 C ATOM 93 CG GLU A 17 28.563 -3.107 52.582 1.00 52.55 C ATOM 94 CD GLU A 17 27.923 -4.227 51.754 1.00 55.17 C ATOM 95 OE1 GLU A 17 26.682 -4.404 51.812 1.00 60.14 O ATOM 96 OE2 GLU A 17 28.661 -4.934 51.037 1.00 59.86 O ATOM 97 N TYR A 18 27.704 -2.590 57.044 1.00 41.77 N ATOM 98 CA TYR A 18 26.853 -2.459 58.209 1.00 41.62 C ATOM 99 C TYR A 18 27.170 -1.168 58.963 1.00 42.04 C ATOM 100 O TYR A 18 26.277 -0.390 59.253 1.00 41.48 O ATOM 101 CB TYR A 18 27.012 -3.694 59.098 1.00 38.90 C ATOM 102 CG TYR A 18 26.420 -3.576 60.489 1.00 39.23 C ATOM 103 CD1 TYR A 18 27.238 -3.314 61.598 1.00 43.43 C ATOM 104 CD2 TYR A 18 25.072 -3.798 60.715 1.00 40.24 C ATOM 105 CE1 TYR A 18 26.709 -3.293 62.917 1.00 44.88 C ATOM 106 CE2 TYR A 18 24.534 -3.779 62.019 1.00 43.22 C ATOM 107 CZ TYR A 18 25.358 -3.534 63.109 1.00 45.52 C ATOM 108 OH TYR A 18 24.832 -3.595 64.392 1.00 49.97 O ATOM 109 N GLN A 19 28.444 -0.940 59.245 1.00 43.00 N ATOM 110 CA GLN A 19 28.910 0.250 59.954 1.00 44.81 C ATOM 111 C GLN A 19 28.577 1.542 59.218 1.00 44.53 C ATOM 112 O GLN A 19 28.133 2.501 59.828 1.00 44.75 O ATOM 113 CB GLN A 19 30.408 0.176 60.132 1.00 45.93 C ATOM 114 CG GLN A 19 30.825 -1.042 60.872 1.00 56.02 C ATOM 115 CD GLN A 19 31.031 -0.756 62.333 1.00 62.26 C ATOM 116 OE1 GLN A 19 30.070 -0.485 63.077 1.00 64.04 O ATOM 117 NE2 GLN A 19 32.303 -0.783 62.762 1.00 64.09 N ATOM 118 N ASN A 20 28.823 1.570 57.912 1.00 42.33 N ATOM 119 CA ASN A 20 28.533 2.748 57.110 1.00 44.09 C ATOM 120 C ASN A 20 27.037 3.026 57.021 1.00 41.61 C ATOM 121 O ASN A 20 26.630 4.187 57.046 1.00 42.88 O ATOM 122 CB ASN A 20 29.113 2.598 55.692 1.00 49.42 C ATOM 123 CG ASN A 20 30.634 2.566 55.692 1.00 54.63 C ATOM 124 OD1 ASN A 20 31.283 3.009 56.661 1.00 55.40 O ATOM 125 ND2 ASN A 20 31.217 2.055 54.605 1.00 54.30 N ATOM 126 N LEU A 21 26.231 1.976 56.875 1.00 36.16 N ATOM 127 CA LEU A 21 24.786 2.133 56.822 1.00 37.89 C ATOM 128 C LEU A 21 24.288 2.710 58.190 1.00 38.78 C ATOM 129 O LEU A 21 23.530 3.686 58.232 1.00 38.95 O ATOM 130 CB LEU A 21 24.140 0.781 56.521 1.00 35.61 C ATOM 131 CG LEU A 21 22.625 0.737 56.405 1.00 38.67 C ATOM 132 CD1 LEU A 21 22.176 1.765 55.349 1.00 43.25 C ATOM 133 CD2 LEU A 21 22.179 -0.663 56.040 1.00 40.71 C ATOM 134 N ALA A 22 24.719 2.118 59.298 1.00 36.16 N ATOM 135 CA ALA A 22 24.310 2.610 60.620 1.00 39.88 C ATOM 136 C ALA A 22 24.681 4.072 60.771 1.00 38.38 C ATOM 137 O ALA A 22 23.898 4.854 61.277 1.00 40.75 O ATOM 138 CB ALA A 22 24.962 1.784 61.754 1.00 35.81 C ATOM 139 N ASN A 23 25.876 4.454 60.339 1.00 41.22 N ATOM 140 CA ASN A 23 26.262 5.854 60.451 1.00 41.28 C ATOM 141 C ASN A 23 25.410 6.796 59.590 1.00 40.90 C ATOM 142 O ASN A 23 25.083 7.905 60.023 1.00 39.28 O ATOM 143 CB ASN A 23 27.745 6.034 60.118 1.00 40.67 C ATOM 144 CG ASN A 23 28.655 5.402 61.172 1.00 46.52 C ATOM 145 OD1 ASN A 23 28.332 5.384 62.369 1.00 45.92 O ATOM 146 ND2 ASN A 23 29.800 4.892 60.734 1.00 47.17 N ATOM 147 N GLN A 24 25.047 6.361 58.386 1.00 39.39 N ATOM 148 CA GLN A 24 24.231 7.191 57.509 1.00 41.75 C ATOM 149 C GLN A 24 22.790 7.277 58.021 1.00 37.57 C ATOM 150 O GLN A 24 22.145 8.288 57.845 1.00 36.89 O ATOM 151 CB GLN A 24 24.213 6.645 56.077 1.00 42.05 C ATOM 152 CG GLN A 24 25.596 6.448 55.501 1.00 54.80 C ATOM 153 CD GLN A 24 25.573 6.203 53.985 1.00 60.81 C ATOM 154 OE1 GLN A 24 25.180 5.126 53.510 1.00 61.91 O ATOM 155 NE2 GLN A 24 25.985 7.217 53.224 1.00 63.12 N ATOM 156 N GLU A 25 22.290 6.207 58.622 1.00 36.96 N ATOM 157 CA GLU A 25 20.933 6.196 59.161 1.00 35.12 C ATOM 158 C GLU A 25 20.894 7.207 60.321 1.00 36.26 C ATOM 159 O GLU A 25 19.938 8.005 60.437 1.00 33.84 O ATOM 160 CB GLU A 25 20.572 4.791 59.684 1.00 34.17 C ATOM 161 CG GLU A 25 19.144 4.623 60.318 1.00 34.26 C ATOM 162 CD GLU A 25 18.003 4.740 59.289 1.00 36.58 C ATOM 163 OE1 GLU A 25 18.231 4.325 58.142 1.00 37.59 O ATOM 164 OE2 GLU A 25 16.883 5.216 59.628 1.00 32.30 O ATOM 165 N GLU A 26 21.934 7.165 61.159 1.00 34.97 N ATOM 166 CA GLU A 26 22.045 8.041 62.325 1.00 37.08 C ATOM 167 C GLU A 26 22.231 9.524 61.931 1.00 37.68 C ATOM 168 O GLU A 26 21.594 10.418 62.492 1.00 36.06 O ATOM 169 CB GLU A 26 23.197 7.562 63.209 1.00 37.07 C ATOM 170 CG GLU A 26 23.329 8.273 64.572 1.00 42.53 C ATOM 171 CD GLU A 26 22.181 7.959 65.519 1.00 48.30 C ATOM 172 OE1 GLU A 26 21.332 7.095 65.174 1.00 48.19 O ATOM 173 OE2 GLU A 26 22.125 8.576 66.615 1.00 52.42 O ATOM 174 N ALA A 27 23.084 9.791 60.949 1.00 38.33 N ATOM 175 CA ALA A 27 23.297 11.163 60.487 1.00 36.04 C ATOM 176 C ALA A 27 21.999 11.722 59.900 1.00 36.08 C ATOM 177 O ALA A 27 21.655 12.888 60.109 1.00 35.36 O ATOM 178 CB ALA A 27 24.383 11.194 59.411 1.00 38.70 C ATOM 179 N ARG A 28 21.298 10.894 59.138 1.00 35.51 N ATOM 180 CA ARG A 28 20.073 11.336 58.525 1.00 37.64 C ATOM 181 C ARG A 28 18.989 11.590 59.587 1.00 36.30 C ATOM 182 O ARG A 28 18.209 12.554 59.494 1.00 33.23 O ATOM 183 CB ARG A 28 19.621 10.315 57.494 1.00 39.43 C ATOM 184 CG ARG A 28 18.654 10.909 56.514 1.00 47.38 C ATOM 185 CD ARG A 28 17.504 9.980 56.311 1.00 53.01 C ATOM 186 NE ARG A 28 16.251 10.727 56.315 1.00 62.64 N ATOM 187 CZ ARG A 28 15.417 10.792 57.354 1.00 61.04 C ATOM 188 NH1 ARG A 28 15.678 10.143 58.491 1.00 56.64 N ATOM 189 NH2 ARG A 28 14.331 11.546 57.261 1.00 64.08 N ATOM 190 N PHE A 29 18.948 10.744 60.608 1.00 34.19 N ATOM 191 CA PHE A 29 17.997 10.954 61.715 1.00 34.17 C ATOM 192 C PHE A 29 18.292 12.302 62.389 1.00 32.90 C ATOM 193 O PHE A 29 17.394 13.071 62.655 1.00 34.70 O ATOM 194 CB PHE A 29 18.121 9.851 62.783 1.00 33.82 C ATOM 195 CG PHE A 29 17.285 10.098 64.017 1.00 31.98 C ATOM 196 CD1 PHE A 29 15.917 9.871 63.990 1.00 32.11 C ATOM 197 CD2 PHE A 29 17.867 10.557 65.191 1.00 33.34 C ATOM 198 CE1 PHE A 29 15.126 10.092 65.127 1.00 37.64 C ATOM 199 CE2 PHE A 29 17.089 10.784 66.347 1.00 33.73 C ATOM 200 CZ PHE A 29 15.724 10.556 66.317 1.00 32.70 C ATOM 201 N ASN A 30 19.552 12.584 62.667 1.00 35.32 N ATOM 202 CA ASN A 30 19.902 13.851 63.317 1.00 40.48 C ATOM 203 C ASN A 30 19.565 15.060 62.461 1.00 40.90 C ATOM 204 O ASN A 30 19.230 16.120 62.976 1.00 41.17 O ATOM 205 CB ASN A 30 21.385 13.874 63.692 1.00 40.49 C ATOM 206 CG ASN A 30 21.692 12.943 64.836 1.00 42.74 C ATOM 207 OD1 ASN A 30 22.835 12.581 65.052 1.00 47.12 O ATOM 208 ND2 ASN A 30 20.666 12.537 65.566 1.00 39.79 N ATOM 209 N GLU A 31 19.654 14.889 61.150 1.00 40.02 N ATOM 210 CA GLU A 31 19.328 15.947 60.218 1.00 40.99 C ATOM 211 C GLU A 31 17.821 16.198 60.306 1.00 40.04 C ATOM 212 O GLU A 31 17.362 17.328 60.368 1.00 38.18 O ATOM 213 CB GLU A 31 19.676 15.470 58.821 1.00 44.83 C ATOM 214 CG GLU A 31 19.989 16.524 57.836 1.00 55.15 C ATOM 215 CD GLU A 31 20.434 15.885 56.519 1.00 64.64 C ATOM 216 OE1 GLU A 31 21.329 14.986 56.570 1.00 64.32 O ATOM 217 OE2 GLU A 31 19.884 16.276 55.451 1.00 65.92 O ATOM 218 N GLU A 32 17.042 15.125 60.293 1.00 37.34 N ATOM 219 CA GLU A 32 15.620 15.294 60.375 1.00 37.70 C ATOM 220 C GLU A 32 15.222 15.899 61.752 1.00 38.87 C ATOM 221 O GLU A 32 14.237 16.653 61.844 1.00 37.47 O ATOM 222 CB GLU A 32 14.900 13.961 60.157 1.00 36.59 C ATOM 223 CG GLU A 32 13.396 14.160 60.165 1.00 37.66 C ATOM 224 CD GLU A 32 12.599 12.908 59.907 1.00 43.18 C ATOM 225 OE1 GLU A 32 13.213 11.823 59.725 1.00 46.61 O ATOM 226 OE2 GLU A 32 11.347 13.005 59.900 1.00 40.12 O ATOM 227 N ARG A 33 15.963 15.554 62.807 1.00 35.93 N ATOM 228 CA ARG A 33 15.684 16.095 64.139 1.00 37.40 C ATOM 229 C ARG A 33 15.923 17.617 64.122 1.00 36.42 C ATOM 230 O ARG A 33 15.138 18.395 64.669 1.00 36.98 O ATOM 231 CB ARG A 33 16.597 15.448 65.170 1.00 34.44 C ATOM 232 CG ARG A 33 16.250 15.834 66.629 1.00 35.25 C ATOM 233 CD ARG A 33 17.100 15.025 67.561 1.00 33.35 C ATOM 234 NE ARG A 33 18.515 15.336 67.356 1.00 38.09 N ATOM 235 CZ ARG A 33 19.526 14.682 67.929 1.00 40.30 C ATOM 236 NH1 ARG A 33 19.300 13.672 68.740 1.00 38.23 N ATOM 237 NH2 ARG A 33 20.777 15.050 67.691 1.00 42.24 N ATOM 238 N ALA A 34 16.995 18.034 63.469 1.00 36.78 N ATOM 239 CA ALA A 34 17.300 19.450 63.385 1.00 39.79 C ATOM 240 C ALA A 34 16.194 20.196 62.623 1.00 41.28 C ATOM 241 O ALA A 34 15.878 21.356 62.943 1.00 40.28 O ATOM 242 CB ALA A 34 18.665 19.659 62.719 1.00 38.75 C ATOM 243 N GLN A 35 15.595 19.548 61.627 1.00 39.90 N ATOM 244 CA GLN A 35 14.503 20.186 60.894 1.00 40.27 C ATOM 245 C GLN A 35 13.220 20.223 61.711 1.00 37.59 C ATOM 246 O GLN A 35 12.417 21.139 61.586 1.00 37.57 O ATOM 247 CB GLN A 35 14.209 19.460 59.588 1.00 40.79 C ATOM 248 CG GLN A 35 15.421 19.350 58.698 1.00 47.33 C ATOM 249 CD GLN A 35 15.180 18.403 57.526 1.00 53.55 C ATOM 250 OE1 GLN A 35 14.310 17.514 57.589 1.00 57.32 O ATOM 251 NE2 GLN A 35 15.955 18.575 56.457 1.00 55.69 N ATOM 252 N ALA A 36 13.003 19.222 62.536 1.00 33.45 N ATOM 253 CA ALA A 36 11.802 19.209 63.349 1.00 33.72 C ATOM 254 C ALA A 36 11.947 20.274 64.409 1.00 35.79 C ATOM 255 O ALA A 36 10.984 20.955 64.705 1.00 36.21 O ATOM 256 CB ALA A 36 11.582 17.834 64.011 1.00 31.24 C ATOM 257 N ASP A 37 13.150 20.432 64.966 1.00 36.53 N ATOM 258 CA ASP A 37 13.376 21.434 66.020 1.00 38.90 C ATOM 259 C ASP A 37 13.115 22.839 65.446 1.00 39.60 C ATOM 260 O ASP A 37 12.505 23.689 66.091 1.00 37.62 O ATOM 261 CB ASP A 37 14.820 21.384 66.561 1.00 36.96 C ATOM 262 CG ASP A 37 15.141 20.080 67.298 1.00 40.59 C ATOM 263 OD1 ASP A 37 14.196 19.382 67.708 1.00 41.48 O ATOM 264 OD2 ASP A 37 16.340 19.755 67.480 1.00 39.57 O ATOM 265 N ALA A 38 13.584 23.065 64.231 1.00 38.58 N ATOM 266 CA ALA A 38 13.398 24.342 63.563 1.00 38.43 C ATOM 267 C ALA A 38 11.927 24.565 63.241 1.00 40.31 C ATOM 268 O ALA A 38 11.437 25.706 63.322 1.00 41.06 O ATOM 269 CB ALA A 38 14.237 24.392 62.284 1.00 39.33 C ATOM 270 N ALA A 39 11.218 23.489 62.886 1.00 36.80 N ATOM 271 CA ALA A 39 9.785 23.573 62.582 1.00 37.34 C ATOM 272 C ALA A 39 9.021 23.906 63.861 1.00 37.05 C ATOM 273 O ALA A 39 8.075 24.691 63.820 1.00 34.80 O ATOM 274 CB ALA A 39 9.256 22.246 62.001 1.00 33.68 C ATOM 275 N ARG A 40 9.398 23.291 64.987 1.00 33.90 N ATOM 276 CA ARG A 40 8.714 23.616 66.260 1.00 36.53 C ATOM 277 C ARG A 40 8.791 25.101 66.610 1.00 36.26 C ATOM 278 O ARG A 40 7.793 25.688 66.995 1.00 40.53 O ATOM 279 CB ARG A 40 9.285 22.854 67.439 1.00 35.08 C ATOM 280 CG ARG A 40 9.038 21.350 67.397 1.00 39.35 C ATOM 281 CD ARG A 40 9.423 20.730 68.767 1.00 37.99 C ATOM 282 NE ARG A 40 9.360 19.277 68.719 1.00 35.34 N ATOM 283 CZ ARG A 40 8.247 18.586 68.871 1.00 35.90 C ATOM 284 NH1 ARG A 40 7.088 19.219 69.087 1.00 34.96 N ATOM 285 NH2 ARG A 40 8.300 17.264 68.812 1.00 32.71 N ATOM 286 N GLN A 41 9.972 25.690 66.484 1.00 39.19 N ATOM 287 CA GLN A 41 10.161 27.107 66.785 1.00 42.99 C ATOM 288 C GLN A 41 9.375 27.989 65.816 1.00 41.56 C ATOM 289 O GLN A 41 8.629 28.857 66.248 1.00 40.49 O ATOM 290 CB GLN A 41 11.659 27.463 66.741 1.00 47.57 C ATOM 291 CG GLN A 41 12.458 26.876 67.918 1.00 55.89 C ATOM 292 CD GLN A 41 13.945 27.240 67.884 1.00 60.58 C ATOM 293 OE1 GLN A 41 14.313 28.420 67.925 1.00 64.01 O ATOM 294 NE2 GLN A 41 14.806 26.222 67.805 1.00 63.51 N ATOM 295 N ALA A 42 9.524 27.750 64.513 1.00 39.56 N ATOM 296 CA ALA A 42 8.819 28.527 63.495 1.00 39.18 C ATOM 297 C ALA A 42 7.304 28.419 63.623 1.00 38.63 C ATOM 298 O ALA A 42 6.583 29.377 63.377 1.00 39.82 O ATOM 299 CB ALA A 42 9.276 28.086 62.069 1.00 39.00 C ATOM 300 N LEU A 43 6.818 27.248 64.015 1.00 39.05 N ATOM 301 CA LEU A 43 5.400 27.051 64.187 1.00 38.40 C ATOM 302 C LEU A 43 4.889 27.813 65.423 1.00 41.28 C ATOM 303 O LEU A 43 3.812 28.400 65.378 1.00 40.38 O ATOM 304 CB LEU A 43 5.082 25.554 64.346 1.00 34.20 C ATOM 305 CG LEU A 43 3.670 25.240 64.847 1.00 35.73 C ATOM 306 CD1 LEU A 43 2.647 25.672 63.776 1.00 35.96 C ATOM 307 CD2 LEU A 43 3.503 23.750 65.146 1.00 35.26 C ATOM 308 N ALA A 44 5.642 27.774 66.525 1.00 40.50 N ATOM 309 CA ALA A 44 5.217 28.479 67.741 1.00 44.80 C ATOM 310 C ALA A 44 5.122 29.963 67.407 1.00 45.49 C ATOM 311 O ALA A 44 4.173 30.625 67.810 1.00 46.32 O ATOM 312 CB ALA A 44 6.228 28.245 68.903 1.00 42.90 C ATOM 313 N GLN A 45 6.093 30.470 66.649 1.00 45.79 N ATOM 314 CA GLN A 45 6.103 31.872 66.252 1.00 48.47 C ATOM 315 C GLN A 45 4.966 32.203 65.263 1.00 49.80 C ATOM 316 O GLN A 45 4.382 33.303 65.337 1.00 48.44 O ATOM 317 CB GLN A 45 7.478 32.228 65.664 1.00 51.32 C ATOM 318 CG GLN A 45 7.586 33.574 64.906 1.00 62.76 C ATOM 319 CD GLN A 45 7.321 34.829 65.767 1.00 67.87 C ATOM 320 OE1 GLN A 45 7.832 34.969 66.889 1.00 71.23 O ATOM 321 NE2 GLN A 45 6.533 35.753 65.224 1.00 69.96 N ATOM 322 N ASN A 46 4.641 31.270 64.356 1.00 45.22 N ATOM 323 CA ASN A 46 3.553 31.481 63.388 1.00 43.79 C ATOM 324 C ASN A 46 2.208 31.416 64.097 1.00 42.85 C ATOM 325 O ASN A 46 1.249 32.085 63.711 1.00 40.70 O ATOM 326 CB ASN A 46 3.562 30.416 62.267 1.00 39.33 C ATOM 327 CG ASN A 46 4.658 30.629 61.249 1.00 41.08 C ATOM 328 OD1 ASN A 46 5.041 29.695 60.530 1.00 44.96 O ATOM 329 ND2 ASN A 46 5.157 31.844 61.150 1.00 36.36 N ATOM 330 N GLU A 47 2.111 30.591 65.129 1.00 43.34 N ATOM 331 CA GLU A 47 0.849 30.501 65.847 1.00 46.79 C ATOM 332 C GLU A 47 0.497 31.812 66.554 1.00 46.37 C ATOM 333 O GLU A 47 -0.679 32.153 66.704 1.00 46.28 O ATOM 334 CB GLU A 47 0.898 29.376 66.871 1.00 49.56 C ATOM 335 CG GLU A 47 0.717 28.018 66.273 1.00 56.58 C ATOM 336 CD GLU A 47 0.944 26.952 67.301 1.00 62.19 C ATOM 337 OE1 GLU A 47 1.773 27.199 68.209 1.00 65.96 O ATOM 338 OE2 GLU A 47 0.314 25.874 67.204 1.00 66.81 O ATOM 339 N GLN A 48 1.507 32.529 67.007 1.00 44.99 N ATOM 340 CA GLN A 48 1.242 33.787 67.685 1.00 49.80 C ATOM 341 C GLN A 48 0.905 34.865 66.651 1.00 48.05 C ATOM 342 O GLN A 48 0.003 35.675 66.871 1.00 47.15 O ATOM 343 CB GLN A 48 2.425 34.206 68.544 1.00 51.01 C ATOM 344 CG GLN A 48 1.956 34.640 69.930 1.00 62.67 C ATOM 345 CD GLN A 48 0.969 33.632 70.557 1.00 66.81 C ATOM 346 OE1 GLN A 48 1.366 32.538 70.985 1.00 70.18 O ATOM 347 NE2 GLN A 48 -0.324 33.992 70.589 1.00 66.19 N ATOM 348 N VAL A 49 1.611 34.858 65.521 1.00 46.18 N ATOM 349 CA VAL A 49 1.324 35.793 64.441 1.00 44.74 C ATOM 350 C VAL A 49 -0.091 35.544 63.927 1.00 44.89 C ATOM 351 O VAL A 49 -0.867 36.493 63.732 1.00 45.44 O ATOM 352 CB VAL A 49 2.309 35.636 63.275 1.00 45.45 C ATOM 353 CG1 VAL A 49 1.817 36.424 62.041 1.00 43.47 C ATOM 354 CG2 VAL A 49 3.660 36.131 63.700 1.00 44.37 C ATOM 355 N TYR A 50 -0.445 34.275 63.735 1.00 42.09 N ATOM 356 CA TYR A 50 -1.771 33.928 63.245 1.00 42.53 C ATOM 357 C TYR A 50 -2.862 34.446 64.180 1.00 45.16 C ATOM 358 O TYR A 50 -3.866 34.999 63.743 1.00 42.12 O ATOM 359 CB TYR A 50 -1.910 32.413 63.105 1.00 39.47 C ATOM 360 CG TYR A 50 -3.200 31.948 62.448 1.00 41.34 C ATOM 361 CD1 TYR A 50 -4.333 31.671 63.199 1.00 42.87 C ATOM 362 CD2 TYR A 50 -3.296 31.828 61.054 1.00 43.28 C ATOM 363 CE1 TYR A 50 -5.533 31.293 62.586 1.00 43.85 C ATOM 364 CE2 TYR A 50 -4.482 31.453 60.435 1.00 41.01 C ATOM 365 CZ TYR A 50 -5.598 31.185 61.204 1.00 44.18 C ATOM 366 OH TYR A 50 -6.775 30.764 60.604 1.00 46.02 O ATOM 367 N ASN A 51 -2.667 34.255 65.475 1.00 46.04 N ATOM 368 CA ASN A 51 -3.659 34.686 66.434 1.00 47.48 C ATOM 369 C ASN A 51 -3.825 36.190 66.418 1.00 46.04 C ATOM 370 O ASN A 51 -4.941 36.690 66.371 1.00 44.46 O ATOM 371 CB ASN A 51 -3.286 34.191 67.835 1.00 50.71 C ATOM 372 CG ASN A 51 -3.394 32.665 67.948 1.00 57.40 C ATOM 373 OD1 ASN A 51 -4.272 32.042 67.322 1.00 58.71 O ATOM 374 ND2 ASN A 51 -2.508 32.057 68.748 1.00 59.08 N ATOM 375 N GLU A 52 -2.710 36.904 66.465 1.00 46.23 N ATOM 376 CA GLU A 52 -2.735 38.343 66.429 1.00 46.23 C ATOM 377 C GLU A 52 -3.346 38.862 65.133 1.00 46.01 C ATOM 378 O GLU A 52 -4.223 39.737 65.170 1.00 44.19 O ATOM 379 CB GLU A 52 -1.330 38.878 66.554 1.00 51.03 C ATOM 380 CG GLU A 52 -0.732 38.675 67.937 1.00 61.36 C ATOM 381 CD GLU A 52 0.750 38.950 67.940 1.00 67.52 C ATOM 382 OE1 GLU A 52 1.165 39.905 67.243 1.00 72.70 O ATOM 383 OE2 GLU A 52 1.498 38.219 68.629 1.00 72.34 O ATOM 384 N LEU A 53 -2.903 38.322 63.994 1.00 41.12 N ATOM 385 CA LEU A 53 -3.396 38.788 62.708 1.00 40.98 C ATOM 386 C LEU A 53 -4.845 38.448 62.447 1.00 41.53 C ATOM 387 O LEU A 53 -5.562 39.210 61.787 1.00 40.80 O ATOM 388 CB LEU A 53 -2.490 38.268 61.583 1.00 43.28 C ATOM 389 CG LEU A 53 -1.383 39.261 61.206 1.00 46.71 C ATOM 390 CD1 LEU A 53 -0.807 39.850 62.462 1.00 48.45 C ATOM 391 CD2 LEU A 53 -0.291 38.606 60.335 1.00 45.42 C ATOM 392 N SER A 54 -5.286 37.306 62.963 1.00 40.64 N ATOM 393 CA SER A 54 -6.664 36.869 62.801 1.00 41.78 C ATOM 394 C SER A 54 -7.595 37.858 63.541 1.00 45.42 C ATOM 395 O SER A 54 -8.648 38.253 63.021 1.00 44.36 O ATOM 396 CB SER A 54 -6.815 35.467 63.379 1.00 43.52 C ATOM 397 OG SER A 54 -8.155 35.019 63.305 1.00 50.10 O ATOM 398 N GLN A 55 -7.198 38.238 64.756 1.00 44.66 N ATOM 399 CA GLN A 55 -7.944 39.186 65.567 1.00 47.27 C ATOM 400 C GLN A 55 -7.985 40.525 64.814 1.00 44.99 C ATOM 401 O GLN A 55 -9.033 41.143 64.681 1.00 44.88 O ATOM 402 CB GLN A 55 -7.245 39.373 66.917 1.00 49.57 C ATOM 403 CG GLN A 55 -7.752 40.577 67.714 1.00 60.89 C ATOM 404 CD GLN A 55 -7.217 40.621 69.158 1.00 65.64 C ATOM 405 OE1 GLN A 55 -7.409 39.674 69.940 1.00 68.08 O ATOM 406 NE2 GLN A 55 -6.548 41.725 69.512 1.00 66.30 N ATOM 407 N ARG A 56 -6.835 40.952 64.316 1.00 43.30 N ATOM 408 CA ARG A 56 -6.763 42.190 63.574 1.00 42.94 C ATOM 409 C ARG A 56 -7.748 42.168 62.416 1.00 43.61 C ATOM 410 O ARG A 56 -8.569 43.066 62.277 1.00 43.22 O ATOM 411 CB ARG A 56 -5.357 42.412 63.033 1.00 40.34 C ATOM 412 CG ARG A 56 -5.252 43.674 62.192 1.00 41.58 C ATOM 413 CD ARG A 56 -3.845 43.912 61.712 1.00 42.62 C ATOM 414 NE ARG A 56 -3.015 44.336 62.830 1.00 44.69 N ATOM 415 CZ ARG A 56 -1.737 44.651 62.732 1.00 45.66 C ATOM 416 NH1 ARG A 56 -1.112 44.584 61.559 1.00 44.73 N ATOM 417 NH2 ARG A 56 -1.087 45.059 63.812 1.00 48.41 N ATOM 418 N ALA A 57 -7.671 41.128 61.598 1.00 40.66 N ATOM 419 CA ALA A 57 -8.530 40.979 60.424 1.00 44.72 C ATOM 420 C ALA A 57 -10.014 40.983 60.784 1.00 46.48 C ATOM 421 O ALA A 57 -10.854 41.557 60.064 1.00 44.67 O ATOM 422 CB ALA A 57 -8.185 39.669 59.676 1.00 43.68 C ATOM 423 N GLN A 58 -10.340 40.314 61.884 1.00 47.62 N ATOM 424 CA GLN A 58 -11.713 40.239 62.343 1.00 48.41 C ATOM 425 C GLN A 58 -12.236 41.609 62.760 1.00 47.62 C ATOM 426 O GLN A 58 -13.388 41.937 62.482 1.00 48.89 O ATOM 427 CB GLN A 58 -11.824 39.269 63.513 1.00 52.34 C ATOM 428 CG GLN A 58 -12.180 37.852 63.108 1.00 60.20 C ATOM 429 CD GLN A 58 -11.726 36.823 64.138 1.00 65.53 C ATOM 430 OE1 GLN A 58 -11.841 37.046 65.351 1.00 69.06 O ATOM 431 NE2 GLN A 58 -11.209 35.687 63.660 1.00 66.51 N ATOM 432 N ARG A 59 -11.400 42.390 63.441 1.00 47.12 N ATOM 433 CA ARG A 59 -11.778 43.730 63.895 1.00 48.24 C ATOM 434 C ARG A 59 -11.962 44.685 62.699 1.00 47.65 C ATOM 435 O ARG A 59 -12.902 45.486 62.664 1.00 45.85 O ATOM 436 CB ARG A 59 -10.713 44.269 64.841 1.00 50.30 C ATOM 437 CG ARG A 59 -11.108 45.537 65.568 1.00 55.58 C ATOM 438 CD ARG A 59 -10.092 45.920 66.643 1.00 58.82 C ATOM 439 NE ARG A 59 -8.749 46.142 66.088 1.00 64.53 N ATOM 440 CZ ARG A 59 -7.678 45.382 66.357 1.00 65.78 C ATOM 441 NH1 ARG A 59 -7.778 44.338 67.186 1.00 65.54 N ATOM 442 NH2 ARG A 59 -6.504 45.645 65.778 1.00 63.32 N ATOM 443 N LEU A 60 -11.065 44.584 61.724 1.00 45.56 N ATOM 444 CA LEU A 60 -11.125 45.404 60.512 1.00 45.71 C ATOM 445 C LEU A 60 -12.419 45.219 59.768 1.00 46.19 C ATOM 446 O LEU A 60 -13.047 46.193 59.375 1.00 44.33 O ATOM 447 CB LEU A 60 -9.981 45.069 59.552 1.00 42.46 C ATOM 448 CG LEU A 60 -8.632 45.544 60.056 1.00 42.13 C ATOM 449 CD1 LEU A 60 -7.522 44.963 59.201 1.00 41.50 C ATOM 450 CD2 LEU A 60 -8.604 47.056 60.061 1.00 43.83 C ATOM 451 N GLN A 61 -12.814 43.971 59.562 1.00 46.48 N ATOM 452 CA GLN A 61 -14.047 43.691 58.839 1.00 50.79 C ATOM 453 C GLN A 61 -15.292 44.111 59.613 1.00 51.25 C ATOM 454 O GLN A 61 -16.253 44.592 59.024 1.00 51.66 O ATOM 455 CB GLN A 61 -14.147 42.194 58.491 1.00 52.24 C ATOM 456 CG GLN A 61 -15.331 41.864 57.609 1.00 57.83 C ATOM 457 CD GLN A 61 -15.282 42.586 56.256 1.00 61.81 C ATOM 458 OE1 GLN A 61 -14.455 42.263 55.399 1.00 66.14 O ATOM 459 NE2 GLN A 61 -16.168 43.569 56.067 1.00 60.91 N ATOM 460 N ALA A 62 -15.262 43.927 60.928 1.00 49.22 N ATOM 461 CA ALA A 62 -16.379 44.266 61.785 1.00 50.59 C ATOM 462 C ALA A 62 -16.632 45.779 61.836 1.00 52.67 C ATOM 463 O ALA A 62 -17.719 46.260 61.495 1.00 53.55 O ATOM 464 CB ALA A 62 -16.121 43.739 63.213 1.00 48.85 C ATOM 465 N GLU A 63 -15.606 46.511 62.257 1.00 52.46 N ATOM 466 CA GLU A 63 -15.656 47.957 62.405 1.00 49.94 C ATOM 467 C GLU A 63 -15.656 48.752 61.104 1.00 51.14 C ATOM 468 O GLU A 63 -15.803 49.978 61.125 1.00 50.81 O ATOM 469 CB GLU A 63 -14.465 48.386 63.250 1.00 49.21 C ATOM 470 CG GLU A 63 -14.417 47.685 64.592 1.00 52.00 C ATOM 471 CD GLU A 63 -13.345 48.253 65.506 1.00 52.35 C ATOM 472 OE1 GLU A 63 -12.348 48.789 64.975 1.00 52.97 O ATOM 473 OE2 GLU A 63 -13.495 48.152 66.749 1.00 53.30 O ATOM 474 N ALA A 64 -15.500 48.071 59.978 1.00 48.68 N ATOM 475 CA ALA A 64 -15.442 48.750 58.703 1.00 51.59 C ATOM 476 C ALA A 64 -16.543 49.780 58.456 1.00 53.77 C ATOM 477 O ALA A 64 -16.399 50.640 57.588 1.00 52.71 O ATOM 478 CB ALA A 64 -15.440 47.735 57.581 1.00 49.78 C ATOM 479 N ASN A 65 -17.637 49.689 59.208 1.00 57.18 N ATOM 480 CA ASN A 65 -18.775 50.599 59.032 1.00 59.69 C ATOM 481 C ASN A 65 -18.650 51.903 59.806 1.00 58.77 C ATOM 482 O ASN A 65 -19.264 52.895 59.450 1.00 62.39 O ATOM 483 CB ASN A 65 -20.072 49.905 59.448 1.00 64.90 C ATOM 484 CG ASN A 65 -20.073 49.508 60.915 1.00 69.23 C ATOM 485 OD1 ASN A 65 -19.727 48.375 61.262 1.00 71.98 O ATOM 486 ND2 ASN A 65 -20.447 50.448 61.791 1.00 70.40 N ATOM 487 N THR A 66 -17.875 51.900 60.878 1.00 56.54 N ATOM 488 CA THR A 66 -17.679 53.099 61.664 1.00 53.15 C ATOM 489 C THR A 66 -16.552 53.924 61.045 1.00 50.76 C ATOM 490 O THR A 66 -16.110 54.934 61.628 1.00 48.21 O ATOM 491 CB THR A 66 -17.260 52.752 63.113 1.00 53.98 C ATOM 492 OG1 THR A 66 -15.895 52.315 63.129 1.00 51.62 O ATOM 493 CG2 THR A 66 -18.133 51.650 63.668 1.00 54.14 C ATOM 494 N ARG A 67 -16.070 53.476 59.880 1.00 46.69 N ATOM 495 CA ARG A 67 -14.952 54.133 59.201 1.00 41.28 C ATOM 496 C ARG A 67 -15.316 54.940 57.962 1.00 41.23 C ATOM 497 O ARG A 67 -16.148 54.516 57.152 1.00 40.77 O ATOM 498 CB ARG A 67 -13.883 53.106 58.759 1.00 37.04 C ATOM 499 CG ARG A 67 -13.406 52.187 59.855 1.00 35.22 C ATOM 500 CD ARG A 67 -12.900 52.977 61.027 1.00 38.22 C ATOM 501 NE ARG A 67 -12.389 52.133 62.101 1.00 38.03 N ATOM 502 CZ ARG A 67 -12.049 52.588 63.307 1.00 42.93 C ATOM 503 NH1 ARG A 67 -12.162 53.887 63.616 1.00 40.17 N ATOM 504 NH2 ARG A 67 -11.591 51.741 64.214 1.00 43.46 N ATOM 505 N PHE A 68 -14.630 56.070 57.802 1.00 39.49 N ATOM 506 CA PHE A 68 -14.852 56.906 56.647 1.00 40.84 C ATOM 507 C PHE A 68 -14.313 56.104 55.469 1.00 38.56 C ATOM 508 O PHE A 68 -14.966 55.967 54.441 1.00 36.99 O ATOM 509 CB PHE A 68 -14.091 58.230 56.748 1.00 41.95 C ATOM 510 CG PHE A 68 -14.330 59.125 55.563 1.00 47.18 C ATOM 511 CD1 PHE A 68 -15.471 59.921 55.498 1.00 46.72 C ATOM 512 CD2 PHE A 68 -13.463 59.110 54.475 1.00 47.10 C ATOM 513 CE1 PHE A 68 -15.742 60.686 54.351 1.00 49.12 C ATOM 514 CE2 PHE A 68 -13.729 59.869 53.329 1.00 50.15 C ATOM 515 CZ PHE A 68 -14.876 60.661 53.272 1.00 47.65 C ATOM 516 N TYR A 69 -13.111 55.563 55.646 1.00 38.70 N ATOM 517 CA TYR A 69 -12.459 54.750 54.619 1.00 37.14 C ATOM 518 C TYR A 69 -12.913 53.300 54.620 1.00 38.00 C ATOM 519 O TYR A 69 -12.098 52.384 54.643 1.00 37.73 O ATOM 520 CB TYR A 69 -10.971 54.838 54.820 1.00 36.77 C ATOM 521 CG TYR A 69 -10.507 56.248 54.624 1.00 41.90 C ATOM 522 CD1 TYR A 69 -10.656 56.882 53.377 1.00 41.41 C ATOM 523 CD2 TYR A 69 -9.965 56.977 55.685 1.00 39.66 C ATOM 524 CE1 TYR A 69 -10.270 58.214 53.197 1.00 41.84 C ATOM 525 CE2 TYR A 69 -9.581 58.294 55.520 1.00 41.68 C ATOM 526 CZ TYR A 69 -9.735 58.907 54.280 1.00 43.74 C ATOM 527 OH TYR A 69 -9.356 60.206 54.150 1.00 43.87 O ATOM 528 N LYS A 70 -14.227 53.107 54.583 1.00 38.84 N ATOM 529 CA LYS A 70 -14.841 51.795 54.600 1.00 39.68 C ATOM 530 C LYS A 70 -14.303 50.800 53.552 1.00 39.69 C ATOM 531 O LYS A 70 -13.921 49.668 53.898 1.00 38.42 O ATOM 532 CB LYS A 70 -16.353 51.958 54.433 1.00 42.51 C ATOM 533 CG LYS A 70 -17.099 50.639 54.298 1.00 49.26 C ATOM 534 CD LYS A 70 -18.598 50.856 54.378 1.00 57.32 C ATOM 535 CE LYS A 70 -19.363 49.557 54.065 1.00 64.23 C ATOM 536 NZ LYS A 70 -19.156 48.469 55.092 1.00 67.81 N ATOM 537 N SER A 71 -14.286 51.213 52.285 1.00 35.41 N ATOM 538 CA SER A 71 -13.788 50.357 51.216 1.00 34.59 C ATOM 539 C SER A 71 -12.375 49.829 51.496 1.00 32.38 C ATOM 540 O SER A 71 -12.081 48.643 51.308 1.00 34.25 O ATOM 541 CB SER A 71 -13.843 51.130 49.879 1.00 35.48 C ATOM 542 OG SER A 71 -12.968 50.532 48.941 1.00 41.16 O ATOM 543 N GLN A 72 -11.485 50.705 51.936 1.00 32.82 N ATOM 544 CA GLN A 72 -10.131 50.299 52.260 1.00 31.61 C ATOM 545 C GLN A 72 -10.027 49.406 53.483 1.00 33.39 C ATOM 546 O GLN A 72 -9.113 48.569 53.549 1.00 32.71 O ATOM 547 CB GLN A 72 -9.260 51.524 52.442 1.00 31.75 C ATOM 548 CG GLN A 72 -9.025 52.231 51.080 1.00 36.37 C ATOM 549 CD GLN A 72 -8.362 53.562 51.236 1.00 35.89 C ATOM 550 OE1 GLN A 72 -7.148 53.638 51.340 1.00 36.87 O ATOM 551 NE2 GLN A 72 -9.165 54.634 51.260 1.00 32.85 N ATOM 552 N TYR A 73 -10.930 49.578 54.461 1.00 33.08 N ATOM 553 CA TYR A 73 -10.870 48.700 55.639 1.00 35.41 C ATOM 554 C TYR A 73 -11.380 47.334 55.236 1.00 33.64 C ATOM 555 O TYR A 73 -10.875 46.328 55.690 1.00 38.21 O ATOM 556 CB TYR A 73 -11.719 49.228 56.796 1.00 33.25 C ATOM 557 CG TYR A 73 -11.006 50.182 57.719 1.00 35.76 C ATOM 558 CD1 TYR A 73 -10.721 51.484 57.323 1.00 34.87 C ATOM 559 CD2 TYR A 73 -10.632 49.790 59.006 1.00 41.04 C ATOM 560 CE1 TYR A 73 -10.098 52.364 58.156 1.00 37.85 C ATOM 561 CE2 TYR A 73 -9.982 50.694 59.866 1.00 40.76 C ATOM 562 CZ TYR A 73 -9.716 51.976 59.420 1.00 40.34 C ATOM 563 OH TYR A 73 -8.991 52.871 60.186 1.00 41.76 O ATOM 564 N GLN A 74 -12.401 47.287 54.391 1.00 39.35 N ATOM 565 CA GLN A 74 -12.918 45.992 53.932 1.00 39.49 C ATOM 566 C GLN A 74 -11.856 45.283 53.090 1.00 39.86 C ATOM 567 O GLN A 74 -11.702 44.060 53.148 1.00 37.57 O ATOM 568 CB GLN A 74 -14.199 46.169 53.105 1.00 42.01 C ATOM 569 CG GLN A 74 -15.399 46.636 53.908 1.00 50.36 C ATOM 570 CD GLN A 74 -16.678 46.739 53.066 1.00 56.89 C ATOM 571 OE1 GLN A 74 -17.793 46.748 53.618 1.00 58.88 O ATOM 572 NE2 GLN A 74 -16.526 46.808 51.724 1.00 54.46 N ATOM 573 N GLU A 75 -11.116 46.062 52.307 1.00 38.77 N ATOM 574 CA GLU A 75 -10.080 45.505 51.448 1.00 39.06 C ATOM 575 C GLU A 75 -8.912 44.931 52.264 1.00 38.63 C ATOM 576 O GLU A 75 -8.440 43.823 52.009 1.00 37.66 O ATOM 577 CB GLU A 75 -9.554 46.581 50.490 1.00 35.51 C ATOM 578 CG GLU A 75 -8.376 46.115 49.668 1.00 35.25 C ATOM 579 CD GLU A 75 -7.860 47.187 48.709 1.00 32.36 C ATOM 580 OE1 GLU A 75 -8.554 48.214 48.490 1.00 37.68 O ATOM 581 OE2 GLU A 75 -6.755 46.994 48.181 1.00 35.38 O ATOM 582 N LEU A 76 -8.453 45.697 53.239 1.00 38.89 N ATOM 583 CA LEU A 76 -7.349 45.254 54.075 1.00 39.83 C ATOM 584 C LEU A 76 -7.753 43.963 54.813 1.00 38.48 C ATOM 585 O LEU A 76 -6.975 43.006 54.840 1.00 38.16 O ATOM 586 CB LEU A 76 -6.945 46.368 55.051 1.00 36.57 C ATOM 587 CG LEU A 76 -5.650 46.150 55.828 1.00 38.95 C ATOM 588 CD1 LEU A 76 -4.500 45.832 54.849 1.00 39.84 C ATOM 589 CD2 LEU A 76 -5.348 47.367 56.667 1.00 37.07 C ATOM 590 N ALA A 77 -8.959 43.919 55.383 1.00 37.64 N ATOM 591 CA ALA A 77 -9.417 42.708 56.072 1.00 39.05 C ATOM 592 C ALA A 77 -9.387 41.506 55.121 1.00 39.80 C ATOM 593 O ALA A 77 -8.945 40.414 55.491 1.00 39.83 O ATOM 594 CB ALA A 77 -10.843 42.897 56.613 1.00 37.50 C ATOM 595 N SER A 78 -9.860 41.706 53.891 1.00 38.68 N ATOM 596 CA SER A 78 -9.883 40.636 52.908 1.00 37.62 C ATOM 597 C SER A 78 -8.487 40.159 52.534 1.00 36.53 C ATOM 598 O SER A 78 -8.253 38.969 52.344 1.00 36.83 O ATOM 599 CB SER A 78 -10.659 41.088 51.680 1.00 41.94 C ATOM 600 OG SER A 78 -10.894 39.994 50.820 1.00 50.18 O ATOM 601 N LYS A 79 -7.547 41.081 52.439 1.00 37.53 N ATOM 602 CA LYS A 79 -6.177 40.733 52.119 1.00 37.47 C ATOM 603 C LYS A 79 -5.568 39.945 53.281 1.00 41.03 C ATOM 604 O LYS A 79 -4.768 39.027 53.057 1.00 37.96 O ATOM 605 CB LYS A 79 -5.362 41.988 51.858 1.00 36.86 C ATOM 606 CG LYS A 79 -5.538 42.566 50.433 1.00 40.02 C ATOM 607 CD LYS A 79 -4.933 43.984 50.331 1.00 38.88 C ATOM 608 CE LYS A 79 -4.901 44.501 48.898 1.00 39.92 C ATOM 609 NZ LYS A 79 -4.343 45.881 48.816 1.00 39.67 N ATOM 610 N TYR A 80 -5.917 40.320 54.522 1.00 40.55 N ATOM 611 CA TYR A 80 -5.409 39.583 55.682 1.00 42.33 C ATOM 612 C TYR A 80 -5.941 38.154 55.656 1.00 43.01 C ATOM 613 O TYR A 80 -5.179 37.216 55.880 1.00 44.44 O ATOM 614 CB TYR A 80 -5.789 40.271 57.011 1.00 37.18 C ATOM 615 CG TYR A 80 -4.705 41.175 57.497 1.00 35.58 C ATOM 616 CD1 TYR A 80 -3.445 40.671 57.788 1.00 38.09 C ATOM 617 CD2 TYR A 80 -4.917 42.548 57.651 1.00 37.12 C ATOM 618 CE1 TYR A 80 -2.416 41.493 58.230 1.00 38.77 C ATOM 619 CE2 TYR A 80 -3.903 43.376 58.079 1.00 37.31 C ATOM 620 CZ TYR A 80 -2.653 42.844 58.377 1.00 40.47 C ATOM 621 OH TYR A 80 -1.665 43.649 58.883 1.00 40.28 O ATOM 622 N GLU A 81 -7.230 37.981 55.362 1.00 42.66 N ATOM 623 CA GLU A 81 -7.799 36.643 55.301 1.00 45.79 C ATOM 624 C GLU A 81 -7.039 35.768 54.309 1.00 47.44 C ATOM 625 O GLU A 81 -6.730 34.605 54.626 1.00 48.63 O ATOM 626 CB GLU A 81 -9.288 36.678 54.933 1.00 47.23 C ATOM 627 CG GLU A 81 -10.193 37.251 56.008 1.00 54.85 C ATOM 628 CD GLU A 81 -10.176 36.445 57.310 1.00 60.90 C ATOM 629 OE1 GLU A 81 -10.305 35.196 57.242 1.00 63.82 O ATOM 630 OE2 GLU A 81 -10.053 37.059 58.398 1.00 59.93 O ATOM 631 N ASP A 82 -6.724 36.311 53.126 1.00 45.40 N ATOM 632 CA ASP A 82 -5.974 35.561 52.125 1.00 47.46 C ATOM 633 C ASP A 82 -4.611 35.157 52.685 1.00 46.44 C ATOM 634 O ASP A 82 -4.176 34.019 52.526 1.00 45.94 O ATOM 635 CB ASP A 82 -5.721 36.385 50.849 1.00 48.44 C ATOM 636 CG ASP A 82 -6.975 36.621 50.040 1.00 53.42 C ATOM 637 OD1 ASP A 82 -7.945 35.848 50.203 1.00 55.29 O ATOM 638 OD2 ASP A 82 -6.981 37.574 49.222 1.00 57.39 O ATOM 639 N ALA A 83 -3.917 36.106 53.295 1.00 45.19 N ATOM 640 CA ALA A 83 -2.611 35.822 53.854 1.00 44.85 C ATOM 641 C ALA A 83 -2.688 34.860 55.049 1.00 45.08 C ATOM 642 O ALA A 83 -1.740 34.100 55.289 1.00 45.52 O ATOM 643 CB ALA A 83 -1.925 37.098 54.276 1.00 42.90 C ATOM 644 N LEU A 84 -3.792 34.882 55.793 1.00 43.85 N ATOM 645 CA LEU A 84 -3.907 33.976 56.933 1.00 45.52 C ATOM 646 C LEU A 84 -4.116 32.531 56.438 1.00 47.21 C ATOM 647 O LEU A 84 -3.793 31.564 57.150 1.00 43.96 O ATOM 648 CB LEU A 84 -5.043 34.410 57.845 1.00 42.35 C ATOM 649 CG LEU A 84 -4.735 35.718 58.603 1.00 46.98 C ATOM 650 CD1 LEU A 84 -6.012 36.272 59.221 1.00 44.46 C ATOM 651 CD2 LEU A 84 -3.685 35.462 59.693 1.00 48.90 C ATOM 652 N LYS A 85 -4.648 32.391 55.218 1.00 47.11 N ATOM 653 CA LYS A 85 -4.872 31.072 54.629 1.00 48.46 C ATOM 654 C LYS A 85 -3.538 30.467 54.262 1.00 45.13 C ATOM 655 O LYS A 85 -3.337 29.263 54.421 1.00 47.36 O ATOM 656 CB LYS A 85 -5.784 31.148 53.388 1.00 53.91 C ATOM 657 CG LYS A 85 -7.264 31.216 53.747 1.00 59.00 C ATOM 658 CD LYS A 85 -8.148 31.450 52.536 1.00 63.66 C ATOM 659 CE LYS A 85 -8.011 30.315 51.520 1.00 68.76 C ATOM 660 NZ LYS A 85 -6.751 30.418 50.717 1.00 70.50 N ATOM 661 N LYS A 86 -2.638 31.302 53.766 1.00 44.90 N ATOM 662 CA LYS A 86 -1.295 30.871 53.431 1.00 44.69 C ATOM 663 C LYS A 86 -0.524 30.558 54.745 1.00 45.18 C ATOM 664 O LYS A 86 0.207 29.564 54.838 1.00 42.48 O ATOM 665 CB LYS A 86 -0.557 31.969 52.682 1.00 47.24 C ATOM 666 CG LYS A 86 -1.064 32.280 51.265 1.00 52.12 C ATOM 667 CD LYS A 86 -0.187 33.371 50.661 1.00 54.80 C ATOM 668 CE LYS A 86 -0.784 34.010 49.402 1.00 58.54 C ATOM 669 NZ LYS A 86 -0.853 33.058 48.255 1.00 59.95 N ATOM 670 N LEU A 87 -0.693 31.396 55.761 1.00 41.72 N ATOM 671 CA LEU A 87 0.012 31.173 57.017 1.00 42.14 C ATOM 672 C LEU A 87 -0.403 29.816 57.541 1.00 41.79 C ATOM 673 O LEU A 87 0.436 29.027 57.951 1.00 39.17 O ATOM 674 CB LEU A 87 -0.318 32.266 58.034 1.00 40.23 C ATOM 675 CG LEU A 87 0.460 32.290 59.354 1.00 43.24 C ATOM 676 CD1 LEU A 87 1.965 32.163 59.095 1.00 41.41 C ATOM 677 CD2 LEU A 87 0.162 33.636 60.075 1.00 46.37 C ATOM 678 N GLU A 88 -1.703 29.546 57.493 1.00 43.34 N ATOM 679 CA GLU A 88 -2.243 28.285 57.935 1.00 47.94 C ATOM 680 C GLU A 88 -1.671 27.104 57.144 1.00 49.14 C ATOM 681 O GLU A 88 -1.414 26.051 57.724 1.00 47.42 O ATOM 682 CB GLU A 88 -3.759 28.276 57.812 1.00 52.74 C ATOM 683 CG GLU A 88 -4.372 27.018 58.377 1.00 62.00 C ATOM 684 CD GLU A 88 -5.840 27.186 58.687 1.00 68.06 C ATOM 685 OE1 GLU A 88 -6.597 27.499 57.745 1.00 71.23 O ATOM 686 OE2 GLU A 88 -6.237 27.010 59.871 1.00 72.28 O ATOM 687 N ALA A 89 -1.467 27.290 55.838 1.00 45.53 N ATOM 688 CA ALA A 89 -0.917 26.242 54.988 1.00 44.76 C ATOM 689 C ALA A 89 0.518 25.958 55.422 1.00 44.97 C ATOM 690 O ALA A 89 0.945 24.805 55.461 1.00 43.33 O ATOM 691 CB ALA A 89 -0.938 26.677 53.484 1.00 43.26 C ATOM 692 N GLU A 90 1.266 27.019 55.708 1.00 43.69 N ATOM 693 CA GLU A 90 2.641 26.894 56.137 1.00 44.00 C ATOM 694 C GLU A 90 2.721 26.176 57.501 1.00 45.67 C ATOM 695 O GLU A 90 3.620 25.349 57.725 1.00 44.76 O ATOM 696 CB GLU A 90 3.285 28.276 56.216 1.00 46.73 C ATOM 697 CG GLU A 90 4.657 28.287 56.820 1.00 52.47 C ATOM 698 CD GLU A 90 5.262 29.683 56.903 1.00 60.97 C ATOM 699 OE1 GLU A 90 5.804 30.029 57.987 1.00 63.58 O ATOM 700 OE2 GLU A 90 5.214 30.424 55.888 1.00 63.40 O ATOM 701 N MET A 91 1.770 26.455 58.390 1.00 42.32 N ATOM 702 CA MET A 91 1.777 25.820 59.701 1.00 44.60 C ATOM 703 C MET A 91 1.457 24.337 59.577 1.00 45.91 C ATOM 704 O MET A 91 2.000 23.525 60.312 1.00 44.31 O ATOM 705 CB MET A 91 0.795 26.502 60.654 1.00 39.30 C ATOM 706 CG MET A 91 1.183 27.966 60.969 1.00 44.26 C ATOM 707 SD MET A 91 0.252 28.646 62.387 1.00 48.23 S ATOM 708 CE MET A 91 -1.274 29.009 61.619 1.00 44.00 C ATOM 709 N GLU A 92 0.583 23.984 58.643 1.00 47.78 N ATOM 710 CA GLU A 92 0.245 22.589 58.428 1.00 49.22 C ATOM 711 C GLU A 92 1.492 21.817 57.985 1.00 49.18 C ATOM 712 O GLU A 92 1.726 20.696 58.438 1.00 50.13 O ATOM 713 CB GLU A 92 -0.858 22.466 57.376 1.00 51.45 C ATOM 714 CG GLU A 92 -2.223 22.818 57.942 1.00 58.42 C ATOM 715 CD GLU A 92 -2.450 22.180 59.308 1.00 64.36 C ATOM 716 OE1 GLU A 92 -2.415 20.927 59.392 1.00 66.89 O ATOM 717 OE2 GLU A 92 -2.656 22.930 60.300 1.00 68.68 O ATOM 718 N GLN A 93 2.285 22.406 57.099 1.00 44.70 N ATOM 719 CA GLN A 93 3.487 21.750 56.649 1.00 46.12 C ATOM 720 C GLN A 93 4.478 21.595 57.821 1.00 45.77 C ATOM 721 O GLN A 93 5.126 20.570 57.948 1.00 39.41 O ATOM 722 CB GLN A 93 4.122 22.545 55.506 1.00 47.17 C ATOM 723 CG GLN A 93 5.640 22.432 55.389 1.00 54.60 C ATOM 724 CD GLN A 93 6.153 21.015 55.051 1.00 60.73 C ATOM 725 OE1 GLN A 93 5.393 20.030 55.054 1.00 62.08 O ATOM 726 NE2 GLN A 93 7.464 20.913 54.772 1.00 58.98 N ATOM 727 N GLN A 94 4.603 22.622 58.662 1.00 43.31 N ATOM 728 CA GLN A 94 5.507 22.542 59.795 1.00 40.76 C ATOM 729 C GLN A 94 5.056 21.393 60.690 1.00 38.98 C ATOM 730 O GLN A 94 5.865 20.598 61.119 1.00 37.32 O ATOM 731 CB GLN A 94 5.524 23.880 60.545 1.00 41.01 C ATOM 732 CG GLN A 94 6.148 24.972 59.711 1.00 40.50 C ATOM 733 CD GLN A 94 5.915 26.358 60.290 1.00 39.82 C ATOM 734 OE1 GLN A 94 4.849 26.642 60.814 1.00 38.79 O ATOM 735 NE2 GLN A 94 6.908 27.218 60.178 1.00 40.76 N ATOM 736 N LYS A 95 3.758 21.297 60.923 1.00 36.95 N ATOM 737 CA LYS A 95 3.177 20.253 61.729 1.00 40.12 C ATOM 738 C LYS A 95 3.435 18.829 61.203 1.00 43.41 C ATOM 739 O LYS A 95 3.557 17.884 62.002 1.00 38.16 O ATOM 740 CB LYS A 95 1.672 20.449 61.839 1.00 41.91 C ATOM 741 CG LYS A 95 1.258 21.540 62.814 1.00 46.63 C ATOM 742 CD LYS A 95 -0.263 21.613 62.943 1.00 48.30 C ATOM 743 CE LYS A 95 -0.670 22.694 63.933 1.00 53.55 C ATOM 744 NZ LYS A 95 -2.158 22.847 64.061 1.00 55.22 N ATOM 745 N ALA A 96 3.481 18.678 59.874 1.00 41.69 N ATOM 746 CA ALA A 96 3.728 17.379 59.264 1.00 40.82 C ATOM 747 C ALA A 96 5.224 17.051 59.386 1.00 39.53 C ATOM 748 O ALA A 96 5.603 15.880 59.511 1.00 41.73 O ATOM 749 CB ALA A 96 3.267 17.382 57.774 1.00 40.58 C ATOM 750 N VAL A 97 6.083 18.062 59.335 1.00 35.33 N ATOM 751 CA VAL A 97 7.500 17.818 59.508 1.00 36.76 C ATOM 752 C VAL A 97 7.710 17.293 60.949 1.00 39.86 C ATOM 753 O VAL A 97 8.447 16.322 61.182 1.00 39.99 O ATOM 754 CB VAL A 97 8.302 19.108 59.317 1.00 38.52 C ATOM 755 CG1 VAL A 97 9.654 18.993 59.969 1.00 36.12 C ATOM 756 CG2 VAL A 97 8.509 19.394 57.824 1.00 39.54 C ATOM 757 N ILE A 98 7.040 17.926 61.913 1.00 37.61 N ATOM 758 CA ILE A 98 7.168 17.545 63.312 1.00 36.96 C ATOM 759 C ILE A 98 6.579 16.159 63.527 1.00 38.45 C ATOM 760 O ILE A 98 7.172 15.313 64.195 1.00 38.68 O ATOM 761 CB ILE A 98 6.445 18.574 64.218 1.00 32.72 C ATOM 762 CG1 ILE A 98 7.240 19.880 64.236 1.00 29.19 C ATOM 763 CG2 ILE A 98 6.230 18.002 65.645 1.00 30.42 C ATOM 764 CD1 ILE A 98 6.348 21.065 64.624 1.00 31.20 C ATOM 765 N SER A 99 5.416 15.927 62.943 1.00 38.36 N ATOM 766 CA SER A 99 4.735 14.644 63.074 1.00 41.79 C ATOM 767 C SER A 99 5.563 13.494 62.497 1.00 42.02 C ATOM 768 O SER A 99 5.665 12.429 63.099 1.00 43.03 O ATOM 769 CB SER A 99 3.361 14.722 62.394 1.00 42.27 C ATOM 770 OG SER A 99 2.623 13.559 62.686 1.00 51.44 O ATOM 771 N ASP A 100 6.147 13.697 61.322 1.00 42.46 N ATOM 772 CA ASP A 100 6.977 12.665 60.734 1.00 41.11 C ATOM 773 C ASP A 100 8.161 12.345 61.665 1.00 39.23 C ATOM 774 O ASP A 100 8.525 11.186 61.845 1.00 37.50 O ATOM 775 CB ASP A 100 7.537 13.120 59.386 1.00 39.52 C ATOM 776 CG ASP A 100 6.509 13.071 58.268 1.00 44.94 C ATOM 777 OD1 ASP A 100 5.376 12.599 58.504 1.00 44.45 O ATOM 778 OD2 ASP A 100 6.856 13.507 57.143 1.00 44.49 O ATOM 779 N PHE A 101 8.784 13.371 62.231 1.00 34.21 N ATOM 780 CA PHE A 101 9.927 13.125 63.104 1.00 36.19 C ATOM 781 C PHE A 101 9.506 12.357 64.359 1.00 36.21 C ATOM 782 O PHE A 101 10.193 11.419 64.754 1.00 36.36 O ATOM 783 CB PHE A 101 10.635 14.424 63.499 1.00 36.34 C ATOM 784 CG PHE A 101 11.682 14.237 64.557 1.00 38.11 C ATOM 785 CD1 PHE A 101 12.850 13.555 64.275 1.00 36.17 C ATOM 786 CD2 PHE A 101 11.436 14.642 65.875 1.00 38.47 C ATOM 787 CE1 PHE A 101 13.760 13.265 65.284 1.00 35.36 C ATOM 788 CE2 PHE A 101 12.331 14.359 66.890 1.00 37.50 C ATOM 789 CZ PHE A 101 13.500 13.663 66.599 1.00 36.86 C ATOM 790 N GLU A 102 8.367 12.710 64.949 1.00 35.71 N ATOM 791 CA GLU A 102 7.897 12.005 66.154 1.00 37.93 C ATOM 792 C GLU A 102 7.599 10.547 65.842 1.00 37.81 C ATOM 793 O GLU A 102 7.793 9.678 66.690 1.00 33.96 O ATOM 794 CB GLU A 102 6.663 12.697 66.752 1.00 36.38 C ATOM 795 CG GLU A 102 7.009 14.121 67.253 1.00 38.87 C ATOM 796 CD GLU A 102 5.850 14.828 67.977 1.00 41.94 C ATOM 797 OE1 GLU A 102 4.697 14.368 67.880 1.00 44.85 O ATOM 798 OE2 GLU A 102 6.100 15.852 68.649 1.00 41.39 O ATOM 799 N LYS A 103 7.178 10.269 64.612 1.00 38.70 N ATOM 800 CA LYS A 103 6.869 8.888 64.216 1.00 40.78 C ATOM 801 C LYS A 103 8.148 8.057 64.105 1.00 38.95 C ATOM 802 O LYS A 103 8.183 6.919 64.603 1.00 37.69 O ATOM 803 CB LYS A 103 6.125 8.834 62.875 1.00 46.56 C ATOM 804 CG LYS A 103 4.614 9.124 62.952 1.00 53.82 C ATOM 805 CD LYS A 103 3.999 9.303 61.549 1.00 57.45 C ATOM 806 CE LYS A 103 4.241 8.076 60.661 1.00 62.82 C ATOM 807 NZ LYS A 103 3.684 8.197 59.259 1.00 66.40 N ATOM 808 N ILE A 104 9.186 8.592 63.457 1.00 35.18 N ATOM 809 CA ILE A 104 10.404 7.808 63.362 1.00 37.37 C ATOM 810 C ILE A 104 11.066 7.749 64.738 1.00 35.74 C ATOM 811 O ILE A 104 11.685 6.752 65.092 1.00 32.59 O ATOM 812 CB ILE A 104 11.406 8.325 62.272 1.00 39.49 C ATOM 813 CG1 ILE A 104 12.618 7.368 62.204 1.00 42.12 C ATOM 814 CG2 ILE A 104 11.878 9.724 62.566 1.00 38.87 C ATOM 815 CD1 ILE A 104 13.562 7.568 60.996 1.00 41.42 C ATOM 816 N GLN A 105 10.967 8.827 65.501 1.00 34.99 N ATOM 817 CA GLN A 105 11.513 8.815 66.851 1.00 37.54 C ATOM 818 C GLN A 105 10.874 7.643 67.654 1.00 37.70 C ATOM 819 O GLN A 105 11.575 6.845 68.267 1.00 37.93 O ATOM 820 CB GLN A 105 11.261 10.167 67.543 1.00 39.01 C ATOM 821 CG GLN A 105 11.997 10.281 68.877 1.00 43.91 C ATOM 822 CD GLN A 105 11.515 11.445 69.731 1.00 45.51 C ATOM 823 OE1 GLN A 105 12.307 12.098 70.414 1.00 41.51 O ATOM 824 NE2 GLN A 105 10.210 11.706 69.695 1.00 47.27 N ATOM 825 N ALA A 106 9.558 7.498 67.601 1.00 38.94 N ATOM 826 CA ALA A 106 8.874 6.415 68.313 1.00 39.75 C ATOM 827 C ALA A 106 9.255 5.019 67.799 1.00 41.70 C ATOM 828 O ALA A 106 9.420 4.096 68.588 1.00 42.19 O ATOM 829 CB ALA A 106 7.356 6.595 68.241 1.00 37.07 C ATOM 830 N LEU A 107 9.359 4.851 66.485 1.00 41.02 N ATOM 831 CA LEU A 107 9.776 3.576 65.914 1.00 40.91 C ATOM 832 C LEU A 107 11.194 3.209 66.427 1.00 40.53 C ATOM 833 O LEU A 107 11.448 2.060 66.789 1.00 41.01 O ATOM 834 CB LEU A 107 9.780 3.647 64.372 1.00 40.89 C ATOM 835 CG LEU A 107 8.429 3.672 63.654 1.00 41.95 C ATOM 836 CD1 LEU A 107 8.605 3.957 62.132 1.00 39.34 C ATOM 837 CD2 LEU A 107 7.756 2.314 63.886 1.00 40.28 C ATOM 838 N ARG A 108 12.106 4.179 66.465 1.00 39.73 N ATOM 839 CA ARG A 108 13.458 3.930 66.956 1.00 41.91 C ATOM 840 C ARG A 108 13.477 3.528 68.436 1.00 46.95 C ATOM 841 O ARG A 108 14.263 2.655 68.832 1.00 45.96 O ATOM 842 CB ARG A 108 14.356 5.164 66.803 1.00 37.69 C ATOM 843 CG ARG A 108 14.809 5.465 65.395 1.00 40.17 C ATOM 844 CD ARG A 108 15.796 6.642 65.432 1.00 44.12 C ATOM 845 NE ARG A 108 16.950 6.279 64.623 1.00 49.56 N ATOM 846 CZ ARG A 108 18.206 6.438 64.977 1.00 48.91 C ATOM 847 NH1 ARG A 108 18.506 6.980 66.149 1.00 47.76 N ATOM 848 NH2 ARG A 108 19.165 6.008 64.160 1.00 54.19 N ATOM 849 N ALA A 109 12.647 4.186 69.246 1.00 49.79 N ATOM 850 CA ALA A 109 12.586 3.897 70.684 1.00 54.94 C ATOM 851 C ALA A 109 12.086 2.475 70.931 1.00 57.83 C ATOM 852 O ALA A 109 12.426 1.846 71.933 1.00 60.01 O ATOM 853 CB ALA A 109 11.686 4.907 71.392 1.00 52.51 C ATOM 854 N GLY A 110 11.290 1.963 70.007 1.00 59.42 N ATOM 855 CA GLY A 110 10.785 0.615 70.171 1.00 63.11 C ATOM 856 C GLY A 110 11.763 -0.479 69.753 1.00 65.43 C ATOM 857 O GLY A 110 11.447 -1.655 69.888 1.00 66.55 O ATOM 858 N ASN A 111 12.939 -0.109 69.246 1.00 67.47 N ATOM 859 CA ASN A 111 13.933 -1.096 68.814 1.00 69.22 C ATOM 860 C ASN A 111 14.690 -1.743 69.965 1.00 73.06 C ATOM 861 O ASN A 111 15.327 -2.787 69.782 1.00 75.43 O ATOM 862 CB ASN A 111 14.971 -0.474 67.875 1.00 65.70 C ATOM 863 CG ASN A 111 14.451 -0.278 66.469 1.00 61.72 C ATOM 864 OD1 ASN A 111 13.567 -0.994 66.016 1.00 60.83 O ATOM 865 ND2 ASN A 111 15.022 0.685 65.762 1.00 59.45 N ATOM 866 N LEU A 112 14.653 -1.123 71.139 1.00 75.52 N ATOM 867 CA LEU A 112 15.353 -1.689 72.287 1.00 79.03 C ATOM 868 C LEU A 112 14.645 -1.365 73.607 1.00 80.77 C ATOM 869 O LEU A 112 13.449 -0.982 73.557 1.00 81.39 O ATOM 870 CB LEU A 112 16.795 -1.177 72.336 1.00 79.30 C ATOM 871 CG LEU A 112 17.830 -2.250 72.691 1.00 79.08 C ATOM 872 CD1 LEU A 112 17.930 -3.238 71.523 1.00 78.16 C ATOM 873 CD2 LEU A 112 19.193 -1.609 72.972 1.00 79.75 C TER 874 LEU A 112 HETATM 875 S SCN A 130 15.291 11.174 69.719 1.00 58.41 S HETATM 876 C SCN A 130 16.568 12.407 69.722 1.00 62.91 C HETATM 877 N SCN A 130 17.404 13.186 69.737 1.00 64.66 N HETATM 878 O HOH A 131 -11.856 53.974 51.362 1.00 37.32 O HETATM 879 O HOH A 132 16.151 4.867 62.248 1.00 31.89 O HETATM 880 O HOH A 133 20.522 10.536 67.667 1.00 44.05 O HETATM 881 O HOH A 134 21.659 3.680 63.402 1.00 55.51 O HETATM 882 O HOH A 135 17.222 7.778 59.657 1.00 38.05 O HETATM 883 O HOH A 136 17.510 23.105 64.211 1.00 49.57 O HETATM 884 O HOH A 137 26.317 0.510 53.406 1.00 39.86 O HETATM 885 O HOH A 138 12.446 13.248 56.769 1.00 54.49 O HETATM 886 O HOH A 139 5.827 24.286 68.231 1.00 39.30 O HETATM 887 O HOH A 140 26.884 9.368 61.943 1.00 51.39 O HETATM 888 O HOH A 141 23.641 15.076 60.787 1.00 49.34 O HETATM 889 O HOH A 142 7.790 10.129 69.353 1.00 36.17 O HETATM 890 O HOH A 143 30.381 -9.268 59.022 1.00 43.69 O HETATM 891 O HOH A 144 -11.965 54.359 66.804 1.00 44.09 O HETATM 892 O HOH A 145 11.832 18.388 67.530 1.00 42.72 O HETATM 893 O HOH A 146 10.490 15.296 59.789 1.00 47.22 O HETATM 894 O HOH A 147 -8.248 48.886 63.568 1.00 54.30 O HETATM 895 O HOH A 148 8.612 9.446 59.744 1.00 44.19 O HETATM 896 O HOH A 149 12.577 23.409 69.105 1.00 52.36 O HETATM 897 O HOH A 150 15.772 15.244 56.751 1.00 50.59 O HETATM 898 O HOH A 151 -5.157 27.265 54.521 1.00 50.47 O HETATM 899 O HOH A 152 19.860 16.991 65.355 1.00 48.63 O HETATM 900 O HOH A 153 16.174 25.335 65.769 1.00 51.31 O HETATM 901 O HOH A 154 2.622 17.933 64.659 1.00 46.37 O HETATM 902 O HOH A 155 5.907 5.650 64.996 1.00 41.43 O HETATM 903 O HOH A 156 13.161 27.839 63.211 1.00 51.13 O HETATM 904 O HOH A 157 0.183 18.934 58.777 1.00 50.55 O HETATM 905 O HOH A 158 11.368 9.956 58.725 1.00 49.29 O HETATM 906 O HOH A 159 -10.577 49.811 48.310 1.00 49.21 O HETATM 907 O HOH A 160 -3.061 43.809 65.982 1.00 68.07 O HETATM 908 O HOH A 161 38.217 -20.889 49.788 1.00 85.54 O HETATM 909 O HOH A 162 -15.257 54.118 51.327 1.00 64.60 O HETATM 910 O HOH A 163 -0.412 22.678 53.983 1.00 56.62 O HETATM 911 O HOH A 164 18.717 22.082 66.652 1.00 81.09 O HETATM 912 O HOH A 165 -7.945 57.165 50.422 1.00 45.50 O HETATM 913 O HOH A 166 0.816 42.058 65.691 1.00 66.64 O HETATM 914 O HOH A 167 7.683 3.929 71.059 1.00 55.17 O HETATM 915 O HOH A 168 35.902 -21.306 48.720 1.00 75.82 O HETATM 916 O HOH A 169 -11.296 49.060 62.736 1.00 57.85 O HETATM 917 O HOH A 170 31.989 -7.859 63.589 1.00 62.11 O HETATM 918 O HOH A 171 28.504 -6.225 48.849 1.00 63.10 O HETATM 919 O HOH A 172 17.650 28.334 68.874 1.00 84.36 O HETATM 920 O HOH A 173 12.185 22.665 59.475 1.00 50.57 O HETATM 921 O HOH A 174 5.621 21.644 68.533 1.00 43.43 O HETATM 922 O HOH A 175 -17.101 57.214 53.425 1.00 56.07 O HETATM 923 O HOH A 176 28.736 -10.475 50.393 1.00 68.24 O HETATM 924 O HOH A 177 11.310 16.429 57.549 1.00 64.66 O HETATM 925 O HOH A 178 18.251 9.546 68.979 1.00 64.41 O HETATM 926 O HOH A 179 -12.065 39.642 58.249 1.00 57.71 O HETATM 927 O HOH A 180 28.507 2.220 63.046 1.00 60.86 O HETATM 928 O HOH A 181 -8.245 33.232 56.538 1.00 52.49 O HETATM 929 O HOH A 182 3.069 11.775 65.374 1.00 69.81 O HETATM 930 O HOH A 183 -6.440 26.455 62.805 1.00 76.72 O HETATM 931 O HOH A 184 -18.387 46.287 58.852 1.00 49.15 O HETATM 932 O HOH A 185 -10.223 35.598 60.890 1.00 65.33 O HETATM 933 O HOH A 186 -3.141 39.054 50.791 1.00 59.29 O HETATM 934 O HOH A 187 28.668 0.364 52.207 1.00 56.89 O HETATM 935 O HOH A 188 6.172 32.681 56.687 1.00 68.00 O HETATM 936 O HOH A 189 30.580 5.723 58.051 1.00 68.40 O HETATM 937 O HOH A 190 3.433 25.421 68.858 1.00 51.79 O HETATM 938 O HOH A 191 40.559 -20.327 50.973 1.00 77.63 O HETATM 939 O HOH A 192 1.806 28.958 52.539 1.00 61.19 O HETATM 940 O HOH A 193 -12.895 33.493 57.591 1.00 83.09 O HETATM 941 O HOH A 194 27.157 -15.180 50.218 1.00 59.69 O HETATM 942 O HOH A 195 11.338 25.512 60.279 1.00 60.24 O HETATM 943 O HOH A 196 25.138 13.699 62.500 1.00 64.50 O HETATM 944 O HOH A 197 18.928 19.510 59.057 1.00 62.86 O HETATM 945 O HOH A 198 23.662 10.852 67.434 1.00 53.28 O HETATM 946 O HOH A 199 -3.151 25.353 62.181 1.00 84.91 O HETATM 947 O HOH A 200 -11.108 36.888 51.611 1.00 67.77 O HETATM 948 O HOH A 201 26.910 6.807 64.439 1.00 71.17 O HETATM 949 O HOH A 202 24.924 15.069 66.247 1.00 70.48 O HETATM 950 O HOH A 203 16.595 23.849 68.701 1.00 68.99 O HETATM 951 O HOH A 204 35.459 -4.567 57.424 1.00 58.29 O HETATM 952 O HOH A 205 -9.986 39.321 69.401 1.00 78.99 O HETATM 953 O HOH A 206 33.323 4.166 60.007 1.00 70.43 O HETATM 954 O HOH A 207 9.686 -0.158 66.697 1.00 65.13 O HETATM 955 O HOH A 208 18.514 18.957 66.633 1.00 54.19 O HETATM 956 O HOH A 209 1.877 39.896 64.613 1.00 79.78 O HETATM 957 O HOH A 210 12.870 21.090 69.729 1.00 58.85 O HETATM 958 O HOH A 211 7.049 21.396 51.449 1.00 79.52 O HETATM 959 O HOH A 212 2.670 13.966 56.690 1.00 79.44 O HETATM 960 O HOH A 213 39.087 -17.902 46.012 1.00 70.60 O HETATM 961 O HOH A 214 11.323 -2.813 65.503 1.00 70.56 O HETATM 962 O HOH A 215 -5.066 21.599 61.778 1.00 75.46 O HETATM 963 O HOH A 216 -20.246 48.143 63.807 1.00 75.17 O HETATM 964 O HOH A 217 9.445 25.934 58.466 1.00 59.75 O HETATM 965 O HOH A 218 -3.389 21.328 66.040 1.00 80.77 O HETATM 966 O HOH A 219 -19.019 54.120 56.479 1.00 68.53 O HETATM 967 O HOH A 220 6.750 9.370 57.907 1.00 69.81 O HETATM 968 O HOH A 221 2.637 30.006 70.045 1.00 62.23 O HETATM 969 O HOH A 222 5.066 15.167 54.547 1.00 86.97 O HETATM 970 O HOH A 223 31.905 4.032 62.467 1.00 75.41 O HETATM 971 O HOH A 224 6.130 5.776 60.122 1.00 61.44 O HETATM 972 O HOH A 225 36.539 -18.231 46.155 1.00 73.61 O HETATM 973 O HOH A 226 7.416 17.157 54.155 1.00 82.48 O HETATM 974 O HOH A 227 36.638 -7.291 52.346 1.00 55.41 O HETATM 975 O HOH A 228 -8.910 39.177 49.087 1.00 46.41 O HETATM 976 O HOH A 229 32.182 -9.211 61.177 1.00 51.85 O HETATM 977 O HOH A 230 21.418 1.195 62.984 1.00 51.42 O HETATM 978 O HOH A 231 11.336 6.693 57.801 1.00 50.68 O HETATM 979 O HOH A 232 5.038 5.169 62.656 1.00 54.20 O HETATM 980 O HOH A 233 8.643 6.788 60.302 1.00 50.55 O HETATM 981 O HOH A 234 2.876 20.071 66.460 1.00 56.98 O HETATM 982 O HOH A 235 -13.877 56.470 50.741 1.00 68.35 O HETATM 983 O HOH A 236 10.283 24.691 70.569 1.00 57.63 O HETATM 984 O HOH A 237 3.208 24.796 71.684 1.00 75.08 O HETATM 985 O HOH A 238 8.805 23.293 58.039 1.00 52.93 O HETATM 986 O HOH A 239 22.530 12.008 55.314 1.00 66.99 O HETATM 987 O HOH A 240 17.823 22.548 59.546 1.00 63.24 O HETATM 988 O HOH A 241 5.595 33.878 58.871 1.00 65.55 O HETATM 989 O HOH A 242 -12.646 37.381 54.027 1.00 62.72 O HETATM 990 O HOH A 243 -4.414 32.959 49.992 1.00 63.88 O HETATM 991 O HOH A 244 12.810 27.513 60.080 1.00 70.56 O HETATM 992 O HOH A 245 -4.526 27.676 63.794 1.00 79.15 O HETATM 993 O HOH A 246 5.019 9.795 69.254 1.00 60.28 O HETATM 994 O HOH A 247 42.363 -18.430 48.999 1.00 78.78 O HETATM 995 O HOH A 248 -20.273 44.959 61.326 1.00 71.79 O HETATM 996 O HOH A 249 10.883 21.683 57.167 1.00 59.31 O HETATM 997 O HOH A 250 -12.155 36.250 48.569 1.00 77.74 O HETATM 998 O HOH A 251 31.854 -2.927 51.831 1.00 61.94 O HETATM 999 O HOH A 252 5.797 3.607 66.732 1.00 51.18 O HETATM 1000 O HOH A 253 8.624 27.127 56.101 1.00 73.96 O HETATM 1001 O HOH A 254 0.350 16.648 60.701 1.00 66.32 O HETATM 1002 O HOH A 255 8.084 15.530 56.435 1.00 76.06 O HETATM 1003 O HOH A 256 0.591 19.969 54.558 1.00 61.62 O HETATM 1004 O HOH A 257 -12.678 39.730 55.780 1.00 69.13 O HETATM 1005 O HOH A 258 -3.748 24.676 66.695 1.00 76.19 O HETATM 1006 O HOH A 259 33.959 -18.272 50.400 1.00 73.75 O HETATM 1007 O HOH A 260 12.561 26.611 70.735 1.00 79.87 O HETATM 1008 O HOH A 261 -7.333 30.929 57.742 1.00 58.56 O HETATM 1009 O HOH A 262 -7.966 38.155 72.634 1.00 77.29 O HETATM 1010 O HOH A 263 33.379 1.114 57.609 1.00 75.06 O HETATM 1011 O HOH A 264 8.380 30.501 59.065 1.00 64.57 O HETATM 1012 O HOH A 265 -9.033 27.812 62.934 1.00 70.38 O HETATM 1013 O HOH A 266 -14.469 39.292 58.858 1.00 75.19 O HETATM 1014 O HOH A 267 -13.550 41.586 65.836 1.00 71.15 O HETATM 1015 O HOH A 268 30.874 -4.310 63.775 1.00 60.64 O HETATM 1016 O HOH A 269 -6.456 23.577 64.510 1.00 75.39 O HETATM 1017 O HOH A 270 26.260 9.143 66.935 1.00 80.44 O HETATM 1018 O HOH A 271 31.962 3.934 65.014 1.00 77.97 O HETATM 1019 O HOH A 272 10.841 11.803 55.948 1.00 72.22 O HETATM 1020 O HOH A 273 10.853 19.304 54.798 1.00 77.07 O HETATM 1021 O HOH A 274 -19.023 58.217 55.107 1.00 61.77 O HETATM 1022 O HOH A 275 2.654 16.264 66.835 1.00 61.35 O HETATM 1023 O HOH A 276 7.557 1.469 68.450 1.00 76.57 O HETATM 1024 O HOH A 277 29.146 -13.615 47.085 1.00 82.35 O HETATM 1025 O HOH A 278 -11.534 49.752 67.211 1.00 64.52 O HETATM 1026 O HOH A 279 33.822 -4.565 64.128 1.00 84.10 O HETATM 1027 O HOH A 280 -6.917 40.921 72.208 1.00 67.45 O HETATM 1028 O HOH A 281 27.478 12.528 61.429 1.00 76.63 O HETATM 1029 O HOH A 282 -18.190 47.526 50.088 1.00 57.31 O HETATM 1030 O HOH A 283 16.197 15.433 54.318 1.00 63.79 O HETATM 1031 O HOH A 284 -16.114 44.590 50.770 1.00 67.85 O HETATM 1032 O HOH A 285 2.777 24.130 52.951 1.00 73.05 O HETATM 1033 O HOH A 286 -10.242 30.181 58.791 1.00 79.38 O HETATM 1034 O HOH A 287 7.337 6.105 72.332 1.00 69.32 O HETATM 1035 O HOH A 288 4.214 9.665 66.641 1.00 59.83 O HETATM 1036 O HOH A 289 30.094 -10.904 46.339 1.00 88.12 O HETATM 1037 O HOH A 290 -6.947 45.489 70.166 1.00 67.43 O HETATM 1038 O HOH A 291 1.753 17.134 54.429 1.00 61.01 O HETATM 1039 O HOH A 292 3.434 12.133 59.740 1.00 58.79 O CONECT 875 876 CONECT 876 875 877 CONECT 877 876 MASTER 282 0 1 2 0 0 2 6 1038 1 3 10 END If you find results from this site helpful for your research, please cite one of our papers:
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