HEADER HYDROLASE 18-SEP-98 1BVX TITLE THE 1.8 A STRUCTURE OF GEL GROWN TETRAGONAL HEN EGG WHITE TITLE 2 LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (LYSOZYME); COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELLULAR_LOCATION: EGG WHITE; SOURCE 6 OTHER_DETAILS: SIGMA KEYWDS LYSOZYME, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.DONG,T.J.BOGGON,N.E.CHAYEN,J.RAFTERY,R.C.BI,J.R.HELLIWELL REVDAT 5 24-FEB-09 1BVX 1 VERSN REVDAT 4 01-APR-00 1BVX 1 REMARK REVDAT 3 14-JAN-00 1BVX 4 HEADER COMPND REMARK JRNL REVDAT 3 2 4 ATOM SOURCE SEQRES REVDAT 2 04-NOV-98 1BVX 1 REMARK AUTHOR JRNL REVDAT 1 23-SEP-98 1BVX 0 JRNL AUTH J.DONG,T.J.BOGGON,N.E.CHAYEN,J.RAFTERY,R.C.BI, JRNL AUTH 2 J.R.HELLIWELL JRNL TITL BOUND-SOLVENT STRUCTURES FOR MICROGRAVITY-, GROUND JRNL TITL 2 CONTROL-, GEL- AND MICROBATCH-GROWN HEN EGG-WHITE JRNL TITL 3 LYSOZYME CRYSTALS AT 1.8 A RESOLUTION. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 55 745 1999 JRNL REFN ISSN 0907-4449 JRNL PMID 10089304 JRNL DOI 10.1107/S0907444998016047 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 94.8 REMARK 3 NUMBER OF REFLECTIONS : 11073 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) : 0.182 REMARK 3 FREE R VALUE : 0.217 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL 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) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 95 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.80 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 COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.62 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.19 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.21 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BVX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-AUG-99. REMARK 100 THE RCSB ID CODE IS RCSB008337. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : CARBON REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12433 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 99.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.6 REMARK 200 DATA REDUNDANCY : 5.500 REMARK 200 R MERGE (I) : 0.06800 REMARK 200 R SYM (I) : 0.07300 REMARK 200 FOR THE DATA SET : 21.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: PDB ENTRY 193L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.90 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEWL CRYSTALS WERE GROWN IN A REMARK 280 GELLED PROTEIN SOLUTION WITH AGAROSE (SIGMA, TYPE VII: OF LOW REMARK 280 GELLING TEMPERATURE), 4 % MPD IN ACETATE BUFFER (PH 4.5), THE REMARK 280 PRECIPITATING AGENT SOL MPD IN BUFFER. THE GLASS TUBE USED WAS REMARK 280 6 CM TALL WITH AN IN CRYSTALS OF TYPICAL DIMENSIONS $SIM$0.7 $ REMARK 280 TIMES$ 0.6 $TIM, GROWN IN GELLED PROTEIN SOLUTION WITH AGAROSE REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 19.02000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.60150 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.60150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.53000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.60150 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.60150 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.51000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.60150 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.60150 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.53000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.60150 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.60150 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.51000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 19.02000 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 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 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 ARG A 68 17.84 -143.81 REMARK 500 ASN A 74 62.47 -114.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 216 DISTANCE = 5.24 ANGSTROMS REMARK 525 HOH A 222 DISTANCE = 6.72 ANGSTROMS DBREF 1BVX A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *95(H2 O) HELIX 1 1 ARG A 5 ARG A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 80 LEU A 84 5 5 HELIX 5 5 THR A 89 VAL A 99 1 11 HELIX 6 6 GLY A 104 ALA A 107 5 4 HELIX 7 7 VAL A 109 ARG A 114 1 6 HELIX 8 8 VAL A 120 ILE A 124 5 5 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.01 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 79.203 79.203 38.040 90.00 90.00 90.00 P 43 21 2 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 0.012626 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012626 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026288 0.00000 ATOM 1 N LYS A 1 3.236 10.179 10.421 1.00 15.54 N ATOM 2 CA LYS A 1 2.383 10.507 9.245 1.00 15.82 C ATOM 3 C LYS A 1 2.368 12.012 9.049 1.00 17.71 C ATOM 4 O LYS A 1 2.360 12.771 10.026 1.00 18.59 O ATOM 5 CB LYS A 1 0.961 10.028 9.504 1.00 15.27 C ATOM 6 CG LYS A 1 -0.075 10.525 8.529 1.00 19.45 C ATOM 7 CD LYS A 1 -1.438 10.097 9.018 1.00 23.97 C ATOM 8 CE LYS A 1 -2.558 10.727 8.225 1.00 25.12 C ATOM 9 NZ LYS A 1 -2.527 10.331 6.797 1.00 28.78 N ATOM 10 N VAL A 2 2.444 12.442 7.796 1.00 16.80 N ATOM 11 CA VAL A 2 2.414 13.858 7.460 1.00 17.71 C ATOM 12 C VAL A 2 1.017 14.152 6.927 1.00 18.11 C ATOM 13 O VAL A 2 0.626 13.655 5.867 1.00 19.90 O ATOM 14 CB VAL A 2 3.477 14.221 6.398 1.00 17.47 C ATOM 15 CG1 VAL A 2 3.324 15.680 5.968 1.00 18.81 C ATOM 16 CG2 VAL A 2 4.873 13.976 6.955 1.00 16.88 C ATOM 17 N PHE A 3 0.255 14.908 7.699 1.00 17.60 N ATOM 18 CA PHE A 3 -1.109 15.250 7.333 1.00 17.76 C ATOM 19 C PHE A 3 -1.218 16.309 6.247 1.00 19.40 C ATOM 20 O PHE A 3 -0.312 17.119 6.038 1.00 19.42 O ATOM 21 CB PHE A 3 -1.868 15.763 8.568 1.00 15.34 C ATOM 22 CG PHE A 3 -2.387 14.679 9.455 1.00 16.68 C ATOM 23 CD1 PHE A 3 -1.566 14.077 10.402 1.00 17.53 C ATOM 24 CD2 PHE A 3 -3.708 14.251 9.341 1.00 17.95 C ATOM 25 CE1 PHE A 3 -2.056 13.067 11.231 1.00 20.34 C ATOM 26 CE2 PHE A 3 -4.215 13.241 10.166 1.00 20.69 C ATOM 27 CZ PHE A 3 -3.382 12.640 11.112 1.00 21.52 C ATOM 28 N GLY A 4 -2.326 16.261 5.522 1.00 20.62 N ATOM 29 CA GLY A 4 -2.603 17.280 4.537 1.00 19.66 C ATOM 30 C GLY A 4 -3.375 18.301 5.370 1.00 18.55 C ATOM 31 O GLY A 4 -3.939 17.945 6.417 1.00 17.68 O ATOM 32 N ARG A 5 -3.435 19.547 4.917 1.00 17.83 N ATOM 33 CA ARG A 5 -4.147 20.599 5.643 1.00 17.62 C ATOM 34 C ARG A 5 -5.609 20.269 6.026 1.00 17.18 C ATOM 35 O ARG A 5 -5.975 20.307 7.204 1.00 14.80 O ATOM 36 CB ARG A 5 -4.072 21.893 4.832 1.00 16.56 C ATOM 37 CG ARG A 5 -4.660 23.091 5.508 1.00 15.90 C ATOM 38 CD ARG A 5 -4.365 24.318 4.681 1.00 17.27 C ATOM 39 NE ARG A 5 -4.876 24.177 3.325 1.00 24.84 N ATOM 40 CZ ARG A 5 -6.143 24.393 2.970 1.00 28.39 C ATOM 41 NH1 ARG A 5 -7.046 24.774 3.871 1.00 22.11 N ATOM 42 NH2 ARG A 5 -6.517 24.213 1.709 1.00 29.23 N ATOM 43 N CYS A 6 -6.425 19.912 5.032 1.00 17.80 N ATOM 44 CA CYS A 6 -7.840 19.576 5.251 1.00 16.84 C ATOM 45 C CYS A 6 -8.039 18.257 5.974 1.00 17.57 C ATOM 46 O CYS A 6 -8.979 18.103 6.751 1.00 19.94 O ATOM 47 CB CYS A 6 -8.593 19.563 3.919 1.00 17.84 C ATOM 48 SG CYS A 6 -8.657 21.198 3.128 1.00 19.40 S ATOM 49 N GLU A 7 -7.150 17.304 5.715 1.00 16.96 N ATOM 50 CA GLU A 7 -7.204 16.003 6.369 1.00 16.99 C ATOM 51 C GLU A 7 -7.067 16.187 7.893 1.00 16.95 C ATOM 52 O GLU A 7 -7.817 15.588 8.678 1.00 16.73 O ATOM 53 CB GLU A 7 -6.070 15.126 5.850 1.00 18.90 C ATOM 54 CG GLU A 7 -5.991 13.757 6.488 1.00 21.67 C ATOM 55 CD GLU A 7 -4.829 12.931 5.962 1.00 24.99 C ATOM 56 OE1 GLU A 7 -3.844 13.515 5.456 1.00 25.36 O ATOM 57 OE2 GLU A 7 -4.904 11.682 6.060 1.00 27.56 O ATOM 58 N LEU A 8 -6.119 17.035 8.299 1.00 15.82 N ATOM 59 CA LEU A 8 -5.889 17.340 9.711 1.00 15.61 C ATOM 60 C LEU A 8 -7.060 18.150 10.299 1.00 15.26 C ATOM 61 O LEU A 8 -7.481 17.900 11.429 1.00 16.75 O ATOM 62 CB LEU A 8 -4.569 18.104 9.888 1.00 15.72 C ATOM 63 CG LEU A 8 -4.206 18.422 11.340 1.00 17.36 C ATOM 64 CD1 LEU A 8 -3.911 17.125 12.096 1.00 16.81 C ATOM 65 CD2 LEU A 8 -3.018 19.371 11.395 1.00 15.94 C ATOM 66 N ALA A 9 -7.548 19.141 9.556 1.00 14.88 N ATOM 67 CA ALA A 9 -8.687 19.942 9.998 1.00 15.75 C ATOM 68 C ALA A 9 -9.842 18.991 10.341 1.00 15.56 C ATOM 69 O ALA A 9 -10.426 19.058 11.423 1.00 16.02 O ATOM 70 CB ALA A 9 -9.116 20.906 8.889 1.00 15.33 C ATOM 71 N ALA A 10 -10.114 18.065 9.429 1.00 16.28 N ATOM 72 CA ALA A 10 -11.175 17.081 9.596 1.00 16.99 C ATOM 73 C ALA A 10 -10.966 16.204 10.833 1.00 16.38 C ATOM 74 O ALA A 10 -11.885 16.027 11.634 1.00 16.45 O ATOM 75 CB ALA A 10 -11.279 16.214 8.342 1.00 16.21 C ATOM 76 N ALA A 11 -9.762 15.665 11.003 1.00 16.76 N ATOM 77 CA ALA A 11 -9.480 14.820 12.158 1.00 15.42 C ATOM 78 C ALA A 11 -9.591 15.589 13.465 1.00 15.73 C ATOM 79 O ALA A 11 -10.075 15.048 14.459 1.00 15.52 O ATOM 80 CB ALA A 11 -8.090 14.183 12.037 1.00 15.61 C ATOM 81 N MET A 12 -9.131 16.839 13.476 1.00 16.01 N ATOM 82 CA MET A 12 -9.196 17.652 14.687 1.00 15.72 C ATOM 83 C MET A 12 -10.630 17.969 15.017 1.00 16.12 C ATOM 84 O MET A 12 -11.028 17.921 16.183 1.00 16.07 O ATOM 85 CB MET A 12 -8.411 18.952 14.536 1.00 14.13 C ATOM 86 CG MET A 12 -6.912 18.755 14.570 1.00 17.88 C ATOM 87 SD MET A 12 -6.010 20.296 14.388 1.00 17.36 S ATOM 88 CE MET A 12 -4.497 19.905 15.332 1.00 14.09 C ATOM 89 N LYS A 13 -11.411 18.277 13.988 1.00 17.07 N ATOM 90 CA LYS A 13 -12.820 18.602 14.182 1.00 19.82 C ATOM 91 C LYS A 13 -13.517 17.411 14.832 1.00 20.40 C ATOM 92 O LYS A 13 -14.221 17.565 15.840 1.00 20.28 O ATOM 93 CB LYS A 13 -13.491 18.940 12.849 1.00 17.62 C ATOM 94 CG LYS A 13 -14.985 19.238 12.951 1.00 22.06 C ATOM 95 CD LYS A 13 -15.554 19.661 11.604 1.00 23.18 C ATOM 96 CE LYS A 13 -17.055 19.779 11.650 1.00 25.53 C ATOM 97 NZ LYS A 13 -17.490 20.717 12.713 1.00 33.90 N ATOM 98 N ARG A 14 -13.243 16.215 14.310 1.00 22.50 N ATOM 99 CA ARG A 14 -13.849 15.000 14.835 1.00 23.42 C ATOM 100 C ARG A 14 -13.458 14.748 16.283 1.00 23.03 C ATOM 101 O ARG A 14 -14.219 14.146 17.039 1.00 21.50 O ATOM 102 CB ARG A 14 -13.479 13.797 13.970 1.00 28.18 C ATOM 103 CG ARG A 14 -14.162 12.501 14.392 1.00 37.28 C ATOM 104 CD ARG A 14 -13.874 11.386 13.405 1.00 45.69 C ATOM 105 NE ARG A 14 -12.442 11.217 13.185 1.00 50.79 N ATOM 106 CZ ARG A 14 -11.656 10.448 13.930 1.00 52.40 C ATOM 107 NH1 ARG A 14 -12.164 9.759 14.945 1.00 52.48 N ATOM 108 NH2 ARG A 14 -10.353 10.401 13.678 1.00 53.97 N ATOM 109 N HIS A 15 -12.278 15.222 16.677 1.00 21.65 N ATOM 110 CA HIS A 15 -11.817 15.028 18.047 1.00 19.37 C ATOM 111 C HIS A 15 -12.230 16.133 19.006 1.00 18.13 C ATOM 112 O HIS A 15 -11.678 16.239 20.090 1.00 21.21 O ATOM 113 CB HIS A 15 -10.308 14.788 18.086 1.00 19.70 C ATOM 114 CG HIS A 15 -9.909 13.396 17.700 1.00 21.87 C ATOM 115 ND1 HIS A 15 -9.540 13.060 16.411 1.00 24.67 N ATOM 116 CD2 HIS A 15 -9.842 12.260 18.424 1.00 24.58 C ATOM 117 CE1 HIS A 15 -9.255 11.770 16.362 1.00 21.77 C ATOM 118 NE2 HIS A 15 -9.426 11.254 17.565 1.00 26.12 N ATOM 119 N GLY A 16 -13.194 16.956 18.604 1.00 18.94 N ATOM 120 CA GLY A 16 -13.687 18.026 19.459 1.00 18.86 C ATOM 121 C GLY A 16 -12.827 19.269 19.636 1.00 20.78 C ATOM 122 O GLY A 16 -13.025 20.025 20.594 1.00 20.85 O ATOM 123 N LEU A 17 -11.867 19.494 18.742 1.00 19.87 N ATOM 124 CA LEU A 17 -11.034 20.681 18.865 1.00 19.15 C ATOM 125 C LEU A 17 -11.661 21.944 18.316 1.00 20.96 C ATOM 126 O LEU A 17 -11.257 23.035 18.707 1.00 22.27 O ATOM 127 CB LEU A 17 -9.667 20.484 18.225 1.00 14.16 C ATOM 128 CG LEU A 17 -8.678 19.767 19.118 1.00 13.20 C ATOM 129 CD1 LEU A 17 -7.329 19.882 18.450 1.00 17.03 C ATOM 130 CD2 LEU A 17 -8.646 20.368 20.518 1.00 12.63 C ATOM 131 N ASP A 18 -12.630 21.824 17.412 1.00 21.95 N ATOM 132 CA ASP A 18 -13.261 23.019 16.856 1.00 24.52 C ATOM 133 C ASP A 18 -14.004 23.773 17.963 1.00 24.90 C ATOM 134 O ASP A 18 -14.957 23.257 18.555 1.00 25.37 O ATOM 135 CB ASP A 18 -14.210 22.669 15.704 1.00 29.86 C ATOM 136 CG ASP A 18 -14.778 23.910 14.997 1.00 37.69 C ATOM 137 OD1 ASP A 18 -14.166 25.008 15.068 1.00 37.94 O ATOM 138 OD2 ASP A 18 -15.847 23.778 14.353 1.00 41.46 O ATOM 139 N ASN A 19 -13.519 24.982 18.248 1.00 23.57 N ATOM 140 CA ASN A 19 -14.056 25.877 19.282 1.00 24.09 C ATOM 141 C ASN A 19 -13.786 25.456 20.726 1.00 22.40 C ATOM 142 O ASN A 19 -14.404 26.000 21.649 1.00 22.10 O ATOM 143 CB ASN A 19 -15.551 26.148 19.093 1.00 29.92 C ATOM 144 CG ASN A 19 -15.815 27.273 18.132 1.00 36.04 C ATOM 145 OD1 ASN A 19 -15.457 28.423 18.394 1.00 41.66 O ATOM 146 ND2 ASN A 19 -16.448 26.957 17.009 1.00 37.50 N ATOM 147 N TYR A 20 -12.860 24.514 20.933 1.00 21.07 N ATOM 148 CA TYR A 20 -12.526 24.070 22.282 1.00 19.76 C ATOM 149 C TYR A 20 -11.902 25.271 23.005 1.00 20.86 C ATOM 150 O TYR A 20 -10.942 25.873 22.515 1.00 19.01 O ATOM 151 CB TYR A 20 -11.565 22.882 22.257 1.00 16.95 C ATOM 152 CG TYR A 20 -11.414 22.231 23.611 1.00 18.36 C ATOM 153 CD1 TYR A 20 -12.326 21.271 24.049 1.00 20.59 C ATOM 154 CD2 TYR A 20 -10.409 22.625 24.481 1.00 18.59 C ATOM 155 CE1 TYR A 20 -12.238 20.721 25.333 1.00 23.78 C ATOM 156 CE2 TYR A 20 -10.310 22.085 25.764 1.00 20.88 C ATOM 157 CZ TYR A 20 -11.229 21.142 26.188 1.00 23.46 C ATOM 158 OH TYR A 20 -11.158 20.657 27.476 1.00 26.17 O ATOM 159 N ARG A 21 -12.526 25.666 24.117 1.00 21.90 N ATOM 160 CA ARG A 21 -12.103 26.818 24.936 1.00 22.08 C ATOM 161 C ARG A 21 -12.132 28.112 24.142 1.00 19.64 C ATOM 162 O ARG A 21 -11.349 29.021 24.404 1.00 21.14 O ATOM 163 CB ARG A 21 -10.699 26.636 25.533 1.00 25.41 C ATOM 164 CG ARG A 21 -10.582 25.566 26.585 1.00 34.55 C ATOM 165 CD ARG A 21 -11.464 25.825 27.788 1.00 41.82 C ATOM 166 NE ARG A 21 -11.824 24.552 28.405 1.00 49.92 N ATOM 167 CZ ARG A 21 -11.668 24.260 29.691 1.00 53.68 C ATOM 168 NH1 ARG A 21 -11.164 25.165 30.527 1.00 53.23 N ATOM 169 NH2 ARG A 21 -11.957 23.035 30.124 1.00 55.89 N ATOM 170 N GLY A 22 -13.019 28.181 23.156 1.00 18.39 N ATOM 171 CA GLY A 22 -13.142 29.380 22.343 1.00 16.79 C ATOM 172 C GLY A 22 -12.207 29.485 21.151 1.00 16.39 C ATOM 173 O GLY A 22 -12.280 30.455 20.403 1.00 17.91 O ATOM 174 N TYR A 23 -11.347 28.491 20.941 1.00 15.82 N ATOM 175 CA TYR A 23 -10.425 28.542 19.809 1.00 14.51 C ATOM 176 C TYR A 23 -10.938 27.801 18.591 1.00 14.37 C ATOM 177 O TYR A 23 -11.031 26.570 18.596 1.00 14.54 O ATOM 178 CB TYR A 23 -9.054 27.997 20.202 1.00 13.39 C ATOM 179 CG TYR A 23 -8.362 28.825 21.248 1.00 9.82 C ATOM 180 CD1 TYR A 23 -7.542 29.890 20.888 1.00 8.84 C ATOM 181 CD2 TYR A 23 -8.546 28.551 22.607 1.00 10.18 C ATOM 182 CE1 TYR A 23 -6.908 30.663 21.850 1.00 7.30 C ATOM 183 CE2 TYR A 23 -7.923 29.321 23.582 1.00 12.70 C ATOM 184 CZ TYR A 23 -7.107 30.378 23.196 1.00 9.64 C ATOM 185 OH TYR A 23 -6.481 31.130 24.158 1.00 10.37 O ATOM 186 N SER A 24 -11.248 28.553 17.539 1.00 15.09 N ATOM 187 CA SER A 24 -11.751 27.973 16.299 1.00 16.21 C ATOM 188 C SER A 24 -10.753 26.984 15.680 1.00 16.53 C ATOM 189 O SER A 24 -9.543 27.033 15.960 1.00 16.16 O ATOM 190 CB SER A 24 -12.120 29.080 15.309 1.00 16.43 C ATOM 191 OG SER A 24 -10.992 29.859 14.948 1.00 20.30 O ATOM 192 N LEU A 25 -11.251 26.120 14.801 1.00 17.05 N ATOM 193 CA LEU A 25 -10.416 25.102 14.167 1.00 16.23 C ATOM 194 C LEU A 25 -9.191 25.669 13.462 1.00 15.00 C ATOM 195 O LEU A 25 -8.122 25.053 13.500 1.00 14.03 O ATOM 196 CB LEU A 25 -11.248 24.250 13.201 1.00 17.14 C ATOM 197 CG LEU A 25 -10.700 22.897 12.749 1.00 17.70 C ATOM 198 CD1 LEU A 25 -10.395 22.009 13.950 1.00 16.51 C ATOM 199 CD2 LEU A 25 -11.744 22.245 11.846 1.00 19.65 C ATOM 200 N GLY A 26 -9.341 26.835 12.835 1.00 13.48 N ATOM 201 CA GLY A 26 -8.223 27.452 12.142 1.00 11.27 C ATOM 202 C GLY A 26 -7.012 27.683 13.037 1.00 13.06 C ATOM 203 O GLY A 26 -5.868 27.622 12.571 1.00 14.44 O ATOM 204 N ASN A 27 -7.241 27.949 14.320 1.00 11.54 N ATOM 205 CA ASN A 27 -6.133 28.188 15.261 1.00 12.11 C ATOM 206 C ASN A 27 -5.259 26.947 15.464 1.00 12.03 C ATOM 207 O ASN A 27 -4.028 27.026 15.476 1.00 11.04 O ATOM 208 CB ASN A 27 -6.667 28.658 16.619 1.00 11.66 C ATOM 209 CG ASN A 27 -7.160 30.101 16.590 1.00 13.97 C ATOM 210 OD1 ASN A 27 -6.371 31.028 16.589 1.00 11.61 O ATOM 211 ND2 ASN A 27 -8.472 30.283 16.555 1.00 13.92 N ATOM 212 N TRP A 28 -5.918 25.803 15.629 1.00 12.03 N ATOM 213 CA TRP A 28 -5.251 24.518 15.850 1.00 12.02 C ATOM 214 C TRP A 28 -4.462 24.056 14.627 1.00 11.00 C ATOM 215 O TRP A 28 -3.349 23.555 14.760 1.00 11.51 O ATOM 216 CB TRP A 28 -6.283 23.462 16.256 1.00 11.32 C ATOM 217 CG TRP A 28 -7.003 23.804 17.525 1.00 11.34 C ATOM 218 CD1 TRP A 28 -8.261 24.340 17.637 1.00 13.31 C ATOM 219 CD2 TRP A 28 -6.504 23.658 18.863 1.00 13.12 C ATOM 220 NE1 TRP A 28 -8.567 24.543 18.966 1.00 12.51 N ATOM 221 CE2 TRP A 28 -7.510 24.133 19.738 1.00 13.36 C ATOM 222 CE3 TRP A 28 -5.301 23.171 19.407 1.00 13.07 C ATOM 223 CZ2 TRP A 28 -7.352 24.143 21.134 1.00 15.20 C ATOM 224 CZ3 TRP A 28 -5.143 23.179 20.796 1.00 15.01 C ATOM 225 CH2 TRP A 28 -6.165 23.661 21.641 1.00 15.40 C ATOM 226 N VAL A 29 -5.052 24.213 13.444 1.00 11.45 N ATOM 227 CA VAL A 29 -4.396 23.831 12.193 1.00 10.32 C ATOM 228 C VAL A 29 -3.180 24.733 11.967 1.00 9.90 C ATOM 229 O VAL A 29 -2.114 24.259 11.593 1.00 10.44 O ATOM 230 CB VAL A 29 -5.381 23.906 10.987 1.00 12.72 C ATOM 231 CG1 VAL A 29 -4.645 23.649 9.667 1.00 10.89 C ATOM 232 CG2 VAL A 29 -6.515 22.879 11.172 1.00 11.02 C ATOM 233 N CYS A 30 -3.337 26.028 12.230 1.00 9.75 N ATOM 234 CA CYS A 30 -2.236 26.968 12.090 1.00 9.90 C ATOM 235 C CYS A 30 -1.106 26.587 13.052 1.00 9.19 C ATOM 236 O CYS A 30 0.052 26.556 12.663 1.00 9.17 O ATOM 237 CB CYS A 30 -2.708 28.406 12.376 1.00 9.68 C ATOM 238 SG CYS A 30 -1.439 29.699 12.121 1.00 12.58 S ATOM 239 N ALA A 31 -1.450 26.291 14.305 1.00 11.45 N ATOM 240 CA ALA A 31 -0.457 25.912 15.316 1.00 12.38 C ATOM 241 C ALA A 31 0.284 24.646 14.892 1.00 12.43 C ATOM 242 O ALA A 31 1.508 24.600 14.960 1.00 11.85 O ATOM 243 CB ALA A 31 -1.117 25.702 16.666 1.00 12.04 C ATOM 244 N ALA A 32 -0.463 23.639 14.436 1.00 11.86 N ATOM 245 CA ALA A 32 0.131 22.384 13.979 1.00 11.61 C ATOM 246 C ALA A 32 1.090 22.646 12.815 1.00 12.49 C ATOM 247 O ALA A 32 2.188 22.097 12.775 1.00 12.54 O ATOM 248 CB ALA A 32 -0.951 21.406 13.554 1.00 10.66 C ATOM 249 N LYS A 33 0.674 23.485 11.872 1.00 11.40 N ATOM 250 CA LYS A 33 1.508 23.801 10.717 1.00 12.42 C ATOM 251 C LYS A 33 2.856 24.342 11.134 1.00 14.43 C ATOM 252 O LYS A 33 3.897 23.863 10.694 1.00 15.73 O ATOM 253 CB LYS A 33 0.831 24.848 9.839 1.00 13.43 C ATOM 254 CG LYS A 33 1.737 25.411 8.739 1.00 15.46 C ATOM 255 CD LYS A 33 2.042 24.377 7.679 1.00 18.76 C ATOM 256 CE LYS A 33 2.912 24.965 6.592 1.00 23.18 C ATOM 257 NZ LYS A 33 3.150 23.966 5.522 1.00 31.04 N ATOM 258 N PHE A 34 2.844 25.341 11.995 1.00 13.83 N ATOM 259 CA PHE A 34 4.089 25.941 12.406 1.00 15.76 C ATOM 260 C PHE A 34 4.853 25.216 13.488 1.00 15.50 C ATOM 261 O PHE A 34 6.058 25.413 13.634 1.00 16.13 O ATOM 262 CB PHE A 34 3.868 27.413 12.731 1.00 15.89 C ATOM 263 CG PHE A 34 3.419 28.205 11.538 1.00 16.70 C ATOM 264 CD1 PHE A 34 4.179 28.206 10.368 1.00 16.36 C ATOM 265 CD2 PHE A 34 2.213 28.903 11.559 1.00 17.67 C ATOM 266 CE1 PHE A 34 3.741 28.899 9.230 1.00 17.93 C ATOM 267 CE2 PHE A 34 1.765 29.597 10.431 1.00 18.79 C ATOM 268 CZ PHE A 34 2.530 29.590 9.261 1.00 17.07 C ATOM 269 N GLU A 35 4.179 24.350 14.228 1.00 11.66 N ATOM 270 CA GLU A 35 4.866 23.624 15.280 1.00 11.74 C ATOM 271 C GLU A 35 5.585 22.384 14.732 1.00 11.86 C ATOM 272 O GLU A 35 6.728 22.137 15.079 1.00 12.38 O ATOM 273 CB GLU A 35 3.883 23.196 16.382 1.00 11.34 C ATOM 274 CG GLU A 35 3.367 24.315 17.274 1.00 13.05 C ATOM 275 CD GLU A 35 4.428 24.864 18.227 1.00 17.92 C ATOM 276 OE1 GLU A 35 5.533 24.289 18.314 1.00 18.12 O ATOM 277 OE2 GLU A 35 4.153 25.881 18.895 1.00 19.30 O ATOM 278 N SER A 36 4.961 21.676 13.798 1.00 11.71 N ATOM 279 CA SER A 36 5.530 20.432 13.292 1.00 11.69 C ATOM 280 C SER A 36 5.461 20.228 11.785 1.00 13.12 C ATOM 281 O SER A 36 5.898 19.186 11.278 1.00 12.41 O ATOM 282 CB SER A 36 4.744 19.298 13.925 1.00 12.69 C ATOM 283 OG SER A 36 3.387 19.351 13.479 1.00 12.28 O ATOM 284 N ASN A 37 4.880 21.194 11.082 1.00 13.65 N ATOM 285 CA ASN A 37 4.683 21.130 9.635 1.00 15.71 C ATOM 286 C ASN A 37 3.769 19.933 9.305 1.00 14.08 C ATOM 287 O ASN A 37 3.970 19.235 8.312 1.00 14.39 O ATOM 288 CB ASN A 37 6.028 21.042 8.895 1.00 20.96 C ATOM 289 CG ASN A 37 5.909 21.421 7.426 1.00 26.11 C ATOM 290 OD1 ASN A 37 5.151 22.318 7.065 1.00 27.34 O ATOM 291 ND2 ASN A 37 6.648 20.727 6.571 1.00 30.06 N ATOM 292 N PHE A 38 2.783 19.700 10.183 1.00 12.50 N ATOM 293 CA PHE A 38 1.791 18.617 10.058 1.00 13.11 C ATOM 294 C PHE A 38 2.357 17.186 10.185 1.00 12.63 C ATOM 295 O PHE A 38 1.689 16.213 9.842 1.00 12.80 O ATOM 296 CB PHE A 38 1.032 18.741 8.726 1.00 12.42 C ATOM 297 CG PHE A 38 0.291 20.039 8.544 1.00 11.07 C ATOM 298 CD1 PHE A 38 -0.313 20.679 9.617 1.00 10.89 C ATOM 299 CD2 PHE A 38 0.161 20.597 7.275 1.00 11.34 C ATOM 300 CE1 PHE A 38 -1.036 21.852 9.423 1.00 13.32 C ATOM 301 CE2 PHE A 38 -0.561 21.772 7.079 1.00 11.23 C ATOM 302 CZ PHE A 38 -1.159 22.394 8.150 1.00 9.98 C ATOM 303 N ASN A 39 3.570 17.072 10.713 1.00 11.75 N ATOM 304 CA ASN A 39 4.248 15.783 10.867 1.00 12.18 C ATOM 305 C ASN A 39 4.092 15.242 12.287 1.00 12.22 C ATOM 306 O ASN A 39 4.571 15.853 13.243 1.00 12.69 O ATOM 307 CB ASN A 39 5.730 15.947 10.512 1.00 11.96 C ATOM 308 CG ASN A 39 6.516 14.639 10.561 1.00 13.29 C ATOM 309 OD1 ASN A 39 5.960 13.547 10.722 1.00 14.25 O ATOM 310 ND2 ASN A 39 7.821 14.751 10.397 1.00 14.31 N ATOM 311 N THR A 40 3.419 14.106 12.431 1.00 10.06 N ATOM 312 CA THR A 40 3.221 13.524 13.755 1.00 11.94 C ATOM 313 C THR A 40 4.516 13.080 14.408 1.00 11.00 C ATOM 314 O THR A 40 4.570 12.966 15.619 1.00 13.33 O ATOM 315 CB THR A 40 2.302 12.292 13.716 1.00 13.85 C ATOM 316 OG1 THR A 40 2.876 11.288 12.861 1.00 14.92 O ATOM 317 CG2 THR A 40 0.901 12.672 13.242 1.00 12.37 C ATOM 318 N GLN A 41 5.552 12.817 13.614 1.00 11.39 N ATOM 319 CA GLN A 41 6.830 12.337 14.155 1.00 11.58 C ATOM 320 C GLN A 41 7.850 13.389 14.563 1.00 12.82 C ATOM 321 O GLN A 41 8.932 13.046 15.035 1.00 14.50 O ATOM 322 CB GLN A 41 7.488 11.347 13.186 1.00 11.43 C ATOM 323 CG GLN A 41 6.685 10.071 12.962 1.00 13.00 C ATOM 324 CD GLN A 41 7.451 9.019 12.186 1.00 15.81 C ATOM 325 OE1 GLN A 41 8.239 8.268 12.754 1.00 17.77 O ATOM 326 NE2 GLN A 41 7.233 8.969 10.872 1.00 13.73 N ATOM 327 N ALA A 42 7.518 14.664 14.418 1.00 11.46 N ATOM 328 CA ALA A 42 8.455 15.725 14.779 1.00 12.95 C ATOM 329 C ALA A 42 8.856 15.753 16.264 1.00 11.97 C ATOM 330 O ALA A 42 8.020 15.570 17.157 1.00 10.00 O ATOM 331 CB ALA A 42 7.890 17.082 14.363 1.00 12.94 C ATOM 332 N THR A 43 10.151 15.925 16.515 1.00 11.30 N ATOM 333 CA THR A 43 10.670 16.046 17.879 1.00 12.37 C ATOM 334 C THR A 43 11.706 17.158 17.829 1.00 13.29 C ATOM 335 O THR A 43 12.372 17.348 16.805 1.00 15.84 O ATOM 336 CB THR A 43 11.383 14.769 18.380 1.00 11.64 C ATOM 337 OG1 THR A 43 12.429 14.425 17.468 1.00 13.80 O ATOM 338 CG2 THR A 43 10.416 13.596 18.515 1.00 13.04 C ATOM 339 N ASN A 44 11.828 17.913 18.911 1.00 14.08 N ATOM 340 CA ASN A 44 12.813 18.983 18.993 1.00 15.50 C ATOM 341 C ASN A 44 13.291 19.086 20.413 1.00 15.38 C ATOM 342 O ASN A 44 12.483 19.069 21.337 1.00 15.27 O ATOM 343 CB ASN A 44 12.239 20.311 18.513 1.00 18.81 C ATOM 344 CG ASN A 44 12.067 20.343 17.002 1.00 26.94 C ATOM 345 OD1 ASN A 44 10.964 20.146 16.489 1.00 29.71 O ATOM 346 ND2 ASN A 44 13.169 20.546 16.279 1.00 24.23 N ATOM 347 N ARG A 45 14.612 19.134 20.576 1.00 16.41 N ATOM 348 CA ARG A 45 15.247 19.198 21.889 1.00 18.45 C ATOM 349 C ARG A 45 15.349 20.649 22.314 1.00 20.40 C ATOM 350 O ARG A 45 15.665 21.514 21.492 1.00 20.53 O ATOM 351 CB ARG A 45 16.664 18.615 21.819 1.00 19.49 C ATOM 352 CG ARG A 45 17.309 18.341 23.164 1.00 21.67 C ATOM 353 CD ARG A 45 16.748 17.062 23.732 1.00 23.71 C ATOM 354 NE ARG A 45 17.144 16.822 25.117 1.00 32.48 N ATOM 355 CZ ARG A 45 18.173 16.059 25.482 1.00 31.96 C ATOM 356 NH1 ARG A 45 18.930 15.479 24.557 1.00 33.54 N ATOM 357 NH2 ARG A 45 18.383 15.797 26.768 1.00 28.28 N ATOM 358 N ASN A 46 15.080 20.912 23.590 1.00 19.61 N ATOM 359 CA ASN A 46 15.178 22.269 24.123 1.00 21.93 C ATOM 360 C ASN A 46 16.472 22.380 24.938 1.00 22.70 C ATOM 361 O ASN A 46 17.008 21.370 25.395 1.00 22.68 O ATOM 362 CB ASN A 46 13.956 22.602 24.991 1.00 21.69 C ATOM 363 CG ASN A 46 12.640 22.484 24.226 1.00 22.06 C ATOM 364 OD1 ASN A 46 11.773 21.678 24.576 1.00 28.22 O ATOM 365 ND2 ASN A 46 12.476 23.298 23.203 1.00 25.06 N ATOM 366 N THR A 47 16.971 23.603 25.112 1.00 25.37 N ATOM 367 CA THR A 47 18.211 23.851 25.851 1.00 26.91 C ATOM 368 C THR A 47 18.173 23.305 27.280 1.00 26.64 C ATOM 369 O THR A 47 19.182 22.838 27.797 1.00 29.59 O ATOM 370 CB THR A 47 18.565 25.367 25.878 1.00 30.54 C ATOM 371 OG1 THR A 47 17.443 26.119 26.367 1.00 34.34 O ATOM 372 CG2 THR A 47 18.941 25.858 24.482 1.00 31.62 C ATOM 373 N ASP A 48 16.994 23.304 27.891 1.00 25.49 N ATOM 374 CA ASP A 48 16.853 22.797 29.252 1.00 24.38 C ATOM 375 C ASP A 48 16.876 21.271 29.362 1.00 23.61 C ATOM 376 O ASP A 48 16.715 20.727 30.457 1.00 25.24 O ATOM 377 CB ASP A 48 15.582 23.351 29.914 1.00 25.47 C ATOM 378 CG ASP A 48 14.291 22.733 29.364 1.00 26.82 C ATOM 379 OD1 ASP A 48 14.289 22.154 28.261 1.00 31.14 O ATOM 380 OD2 ASP A 48 13.256 22.842 30.044 1.00 29.58 O ATOM 381 N GLY A 49 17.052 20.583 28.238 1.00 22.04 N ATOM 382 CA GLY A 49 17.087 19.132 28.267 1.00 20.25 C ATOM 383 C GLY A 49 15.738 18.479 27.986 1.00 20.34 C ATOM 384 O GLY A 49 15.679 17.260 27.799 1.00 21.30 O ATOM 385 N SER A 50 14.644 19.243 28.017 1.00 16.51 N ATOM 386 CA SER A 50 13.334 18.668 27.711 1.00 15.73 C ATOM 387 C SER A 50 13.194 18.550 26.189 1.00 13.76 C ATOM 388 O SER A 50 14.010 19.097 25.442 1.00 14.32 O ATOM 389 CB SER A 50 12.202 19.510 28.303 1.00 15.64 C ATOM 390 OG SER A 50 12.140 20.785 27.697 1.00 15.01 O ATOM 391 N THR A 51 12.172 17.837 25.734 1.00 13.28 N ATOM 392 CA THR A 51 11.945 17.633 24.304 1.00 11.63 C ATOM 393 C THR A 51 10.470 17.831 23.971 1.00 11.22 C ATOM 394 O THR A 51 9.605 17.576 24.821 1.00 11.32 O ATOM 395 CB THR A 51 12.349 16.183 23.897 1.00 12.27 C ATOM 396 OG1 THR A 51 13.732 15.967 24.210 1.00 11.68 O ATOM 397 CG2 THR A 51 12.120 15.932 22.398 1.00 11.18 C ATOM 398 N ASP A 52 10.206 18.344 22.770 1.00 9.92 N ATOM 399 CA ASP A 52 8.852 18.584 22.271 1.00 11.34 C ATOM 400 C ASP A 52 8.500 17.464 21.293 1.00 11.06 C ATOM 401 O ASP A 52 9.295 17.133 20.411 1.00 10.84 O ATOM 402 CB ASP A 52 8.775 19.933 21.566 1.00 13.05 C ATOM 403 CG ASP A 52 9.094 21.084 22.489 1.00 16.79 C ATOM 404 OD1 ASP A 52 8.901 20.951 23.711 1.00 18.63 O ATOM 405 OD2 ASP A 52 9.546 22.130 21.994 1.00 26.58 O ATOM 406 N TYR A 53 7.295 16.919 21.430 1.00 11.22 N ATOM 407 CA TYR A 53 6.865 15.798 20.618 1.00 11.84 C ATOM 408 C TYR A 53 5.566 15.953 19.854 1.00 12.50 C ATOM 409 O TYR A 53 4.572 16.474 20.371 1.00 13.30 O ATOM 410 CB TYR A 53 6.670 14.574 21.518 1.00 10.34 C ATOM 411 CG TYR A 53 7.886 14.140 22.257 1.00 11.04 C ATOM 412 CD1 TYR A 53 8.263 14.756 23.449 1.00 11.37 C ATOM 413 CD2 TYR A 53 8.679 13.115 21.761 1.00 12.66 C ATOM 414 CE1 TYR A 53 9.409 14.352 24.129 1.00 10.78 C ATOM 415 CE2 TYR A 53 9.824 12.707 22.425 1.00 10.16 C ATOM 416 CZ TYR A 53 10.180 13.326 23.605 1.00 9.52 C ATOM 417 OH TYR A 53 11.298 12.911 24.259 1.00 12.96 O ATOM 418 N GLY A 54 5.568 15.422 18.644 1.00 11.43 N ATOM 419 CA GLY A 54 4.373 15.402 17.839 1.00 11.16 C ATOM 420 C GLY A 54 3.909 16.618 17.095 1.00 10.51 C ATOM 421 O GLY A 54 4.545 17.672 17.086 1.00 11.35 O ATOM 422 N ILE A 55 2.732 16.445 16.513 1.00 12.28 N ATOM 423 CA ILE A 55 2.070 17.439 15.703 1.00 13.33 C ATOM 424 C ILE A 55 1.890 18.773 16.440 1.00 12.33 C ATOM 425 O ILE A 55 2.008 19.828 15.832 1.00 11.85 O ATOM 426 CB ILE A 55 0.731 16.853 15.146 1.00 16.48 C ATOM 427 CG1 ILE A 55 0.321 17.573 13.865 1.00 18.09 C ATOM 428 CG2 ILE A 55 -0.354 16.862 16.204 1.00 16.36 C ATOM 429 CD1 ILE A 55 -0.475 16.706 12.931 1.00 22.69 C ATOM 430 N LEU A 56 1.664 18.722 17.753 1.00 12.87 N ATOM 431 CA LEU A 56 1.504 19.944 18.533 1.00 13.56 C ATOM 432 C LEU A 56 2.707 20.265 19.437 1.00 15.46 C ATOM 433 O LEU A 56 2.627 21.139 20.310 1.00 15.42 O ATOM 434 CB LEU A 56 0.191 19.932 19.307 1.00 14.63 C ATOM 435 CG LEU A 56 -1.012 20.237 18.409 1.00 14.85 C ATOM 436 CD1 LEU A 56 -2.300 19.969 19.146 1.00 13.81 C ATOM 437 CD2 LEU A 56 -0.943 21.688 17.952 1.00 15.35 C ATOM 438 N GLN A 57 3.823 19.562 19.213 1.00 13.65 N ATOM 439 CA GLN A 57 5.060 19.776 19.961 1.00 12.35 C ATOM 440 C GLN A 57 4.908 19.917 21.482 1.00 13.03 C ATOM 441 O GLN A 57 5.403 20.877 22.095 1.00 13.64 O ATOM 442 CB GLN A 57 5.786 20.996 19.361 1.00 10.47 C ATOM 443 CG GLN A 57 6.380 20.743 17.995 1.00 10.62 C ATOM 444 CD GLN A 57 7.541 19.762 18.042 1.00 10.24 C ATOM 445 OE1 GLN A 57 8.676 20.139 18.328 1.00 11.59 O ATOM 446 NE2 GLN A 57 7.253 18.494 17.785 1.00 10.67 N ATOM 447 N ILE A 58 4.272 18.928 22.091 1.00 12.05 N ATOM 448 CA ILE A 58 4.033 18.911 23.526 1.00 13.40 C ATOM 449 C ILE A 58 5.348 18.603 24.255 1.00 14.12 C ATOM 450 O ILE A 58 6.080 17.682 23.883 1.00 12.29 O ATOM 451 CB ILE A 58 2.895 17.918 23.842 1.00 14.18 C ATOM 452 CG1 ILE A 58 1.595 18.431 23.200 1.00 12.51 C ATOM 453 CG2 ILE A 58 2.734 17.734 25.352 1.00 13.67 C ATOM 454 CD1 ILE A 58 0.417 17.495 23.358 1.00 14.50 C ATOM 455 N ASN A 59 5.607 19.377 25.308 1.00 14.37 N ATOM 456 CA ASN A 59 6.848 19.316 26.082 1.00 14.39 C ATOM 457 C ASN A 59 6.932 18.272 27.201 1.00 15.03 C ATOM 458 O ASN A 59 6.015 18.161 28.025 1.00 16.32 O ATOM 459 CB ASN A 59 7.139 20.705 26.648 1.00 15.15 C ATOM 460 CG ASN A 59 8.493 20.786 27.309 1.00 17.99 C ATOM 461 OD1 ASN A 59 8.594 20.814 28.522 1.00 21.27 O ATOM 462 ND2 ASN A 59 9.549 20.754 26.508 1.00 21.75 N ATOM 463 N SER A 60 8.080 17.593 27.290 1.00 14.89 N ATOM 464 CA SER A 60 8.329 16.549 28.295 1.00 15.37 C ATOM 465 C SER A 60 8.567 17.072 29.721 1.00 16.62 C ATOM 466 O SER A 60 8.590 16.287 30.674 1.00 17.75 O ATOM 467 CB SER A 60 9.524 15.690 27.869 1.00 15.31 C ATOM 468 OG SER A 60 10.711 16.471 27.874 1.00 14.82 O ATOM 469 N ARG A 61 8.797 18.373 29.867 1.00 17.56 N ATOM 470 CA ARG A 61 9.016 18.952 31.196 1.00 20.63 C ATOM 471 C ARG A 61 7.751 18.871 32.058 1.00 20.21 C ATOM 472 O ARG A 61 7.830 18.589 33.255 1.00 20.88 O ATOM 473 CB ARG A 61 9.454 20.416 31.071 1.00 22.45 C ATOM 474 CG ARG A 61 9.534 21.184 32.375 1.00 33.42 C ATOM 475 CD ARG A 61 10.695 20.700 33.202 1.00 41.81 C ATOM 476 NE ARG A 61 11.953 20.876 32.479 1.00 48.12 N ATOM 477 CZ ARG A 61 13.105 20.309 32.823 1.00 49.56 C ATOM 478 NH1 ARG A 61 13.173 19.524 33.893 1.00 53.49 N ATOM 479 NH2 ARG A 61 14.191 20.512 32.087 1.00 47.59 N ATOM 480 N TRP A 62 6.587 19.043 31.431 1.00 19.13 N ATOM 481 CA TRP A 62 5.321 19.028 32.166 1.00 18.57 C ATOM 482 C TRP A 62 4.255 18.038 31.760 1.00 17.36 C ATOM 483 O TRP A 62 3.484 17.571 32.602 1.00 17.48 O ATOM 484 CB TRP A 62 4.632 20.401 32.047 1.00 21.72 C ATOM 485 CG TRP A 62 5.481 21.549 32.403 1.00 27.49 C ATOM 486 CD1 TRP A 62 6.080 22.416 31.541 1.00 27.15 C ATOM 487 CD2 TRP A 62 5.883 21.932 33.717 1.00 30.97 C ATOM 488 NE1 TRP A 62 6.844 23.315 32.246 1.00 33.92 N ATOM 489 CE2 TRP A 62 6.735 23.041 33.581 1.00 33.60 C ATOM 490 CE3 TRP A 62 5.606 21.443 35.002 1.00 35.16 C ATOM 491 CZ2 TRP A 62 7.330 23.675 34.686 1.00 39.02 C ATOM 492 CZ3 TRP A 62 6.192 22.066 36.100 1.00 39.60 C ATOM 493 CH2 TRP A 62 7.041 23.172 35.933 1.00 37.86 C ATOM 494 N TRP A 63 4.196 17.724 30.470 1.00 16.14 N ATOM 495 CA TRP A 63 3.108 16.912 29.952 1.00 14.73 C ATOM 496 C TRP A 63 3.209 15.425 29.699 1.00 13.88 C ATOM 497 O TRP A 63 2.202 14.720 29.774 1.00 15.05 O ATOM 498 CB TRP A 63 2.554 17.625 28.713 1.00 13.31 C ATOM 499 CG TRP A 63 2.331 19.095 28.972 1.00 14.12 C ATOM 500 CD1 TRP A 63 3.143 20.120 28.583 1.00 17.05 C ATOM 501 CD2 TRP A 63 1.285 19.688 29.765 1.00 15.91 C ATOM 502 NE1 TRP A 63 2.683 21.314 29.095 1.00 19.31 N ATOM 503 CE2 TRP A 63 1.546 21.081 29.823 1.00 18.32 C ATOM 504 CE3 TRP A 63 0.159 19.180 30.436 1.00 14.57 C ATOM 505 CZ2 TRP A 63 0.723 21.975 30.530 1.00 15.00 C ATOM 506 CZ3 TRP A 63 -0.657 20.069 31.139 1.00 13.87 C ATOM 507 CH2 TRP A 63 -0.365 21.451 31.180 1.00 14.03 C ATOM 508 N CYS A 64 4.395 14.941 29.388 1.00 13.27 N ATOM 509 CA CYS A 64 4.571 13.533 29.103 1.00 13.81 C ATOM 510 C CYS A 64 5.910 13.062 29.664 1.00 15.30 C ATOM 511 O CYS A 64 6.792 13.867 29.968 1.00 15.32 O ATOM 512 CB CYS A 64 4.480 13.281 27.580 1.00 13.74 C ATOM 513 SG CYS A 64 5.752 14.107 26.550 1.00 14.09 S ATOM 514 N ASN A 65 6.044 11.750 29.788 1.00 16.10 N ATOM 515 CA ASN A 65 7.245 11.136 30.321 1.00 16.49 C ATOM 516 C ASN A 65 8.095 10.535 29.204 1.00 14.82 C ATOM 517 O ASN A 65 7.608 9.687 28.453 1.00 14.98 O ATOM 518 CB ASN A 65 6.849 10.040 31.324 1.00 19.48 C ATOM 519 CG ASN A 65 8.031 9.185 31.763 1.00 25.24 C ATOM 520 OD1 ASN A 65 9.114 9.693 32.045 1.00 28.54 O ATOM 521 ND2 ASN A 65 7.827 7.871 31.803 1.00 30.68 N ATOM 522 N ASP A 66 9.348 10.975 29.077 1.00 13.88 N ATOM 523 CA ASP A 66 10.227 10.409 28.055 1.00 13.73 C ATOM 524 C ASP A 66 11.430 9.713 28.678 1.00 15.76 C ATOM 525 O ASP A 66 12.344 9.300 27.975 1.00 16.00 O ATOM 526 CB ASP A 66 10.662 11.437 27.001 1.00 12.18 C ATOM 527 CG ASP A 66 11.510 12.572 27.561 1.00 10.00 C ATOM 528 OD1 ASP A 66 11.815 12.616 28.770 1.00 13.85 O ATOM 529 OD2 ASP A 66 11.877 13.457 26.766 1.00 12.52 O ATOM 530 N GLY A 67 11.432 9.615 30.004 1.00 17.58 N ATOM 531 CA GLY A 67 12.501 8.944 30.714 1.00 19.12 C ATOM 532 C GLY A 67 13.857 9.613 30.721 1.00 21.95 C ATOM 533 O GLY A 67 14.849 8.987 31.114 1.00 23.70 O ATOM 534 N ARG A 68 13.931 10.865 30.282 1.00 19.99 N ATOM 535 CA ARG A 68 15.207 11.568 30.279 1.00 19.97 C ATOM 536 C ARG A 68 15.096 13.059 30.611 1.00 21.42 C ATOM 537 O ARG A 68 16.004 13.833 30.320 1.00 22.17 O ATOM 538 CB ARG A 68 15.926 11.371 28.943 1.00 18.54 C ATOM 539 CG ARG A 68 15.255 12.023 27.754 1.00 18.83 C ATOM 540 CD ARG A 68 16.255 12.126 26.622 1.00 19.13 C ATOM 541 NE ARG A 68 15.801 13.014 25.560 1.00 22.71 N ATOM 542 CZ ARG A 68 16.265 12.989 24.312 1.00 22.53 C ATOM 543 NH1 ARG A 68 17.203 12.113 23.968 1.00 21.46 N ATOM 544 NH2 ARG A 68 15.801 13.849 23.408 1.00 18.01 N ATOM 545 N THR A 69 13.976 13.462 31.206 1.00 21.71 N ATOM 546 CA THR A 69 13.769 14.859 31.597 1.00 23.34 C ATOM 547 C THR A 69 13.600 14.825 33.129 1.00 26.85 C ATOM 548 O THR A 69 12.505 14.581 33.637 1.00 27.02 O ATOM 549 CB THR A 69 12.502 15.456 30.909 1.00 21.29 C ATOM 550 OG1 THR A 69 12.608 15.283 29.486 1.00 18.48 O ATOM 551 CG2 THR A 69 12.368 16.949 31.213 1.00 17.73 C ATOM 552 N PRO A 70 14.714 14.951 33.878 1.00 30.05 N ATOM 553 CA PRO A 70 14.695 14.927 35.350 1.00 32.37 C ATOM 554 C PRO A 70 13.721 15.909 35.989 1.00 34.08 C ATOM 555 O PRO A 70 13.602 17.056 35.552 1.00 34.87 O ATOM 556 CB PRO A 70 16.144 15.264 35.709 1.00 34.19 C ATOM 557 CG PRO A 70 16.914 14.648 34.578 1.00 35.35 C ATOM 558 CD PRO A 70 16.092 15.096 33.377 1.00 32.63 C ATOM 559 N GLY A 71 12.997 15.437 37.005 1.00 35.93 N ATOM 560 CA GLY A 71 12.051 16.294 37.715 1.00 36.80 C ATOM 561 C GLY A 71 10.901 16.846 36.891 1.00 36.10 C ATOM 562 O GLY A 71 10.347 17.906 37.196 1.00 37.56 O ATOM 563 N SER A 72 10.545 16.138 35.830 1.00 33.47 N ATOM 564 CA SER A 72 9.443 16.568 35.008 1.00 33.38 C ATOM 565 C SER A 72 8.162 15.938 35.550 1.00 32.70 C ATOM 566 O SER A 72 8.198 14.922 36.250 1.00 31.74 O ATOM 567 CB SER A 72 9.683 16.150 33.563 1.00 35.16 C ATOM 568 OG SER A 72 9.959 14.760 33.484 1.00 36.85 O ATOM 569 N ARG A 73 7.041 16.591 35.291 1.00 31.26 N ATOM 570 CA ARG A 73 5.753 16.091 35.730 1.00 31.49 C ATOM 571 C ARG A 73 5.154 15.457 34.482 1.00 30.11 C ATOM 572 O ARG A 73 5.468 15.873 33.369 1.00 32.70 O ATOM 573 CB ARG A 73 4.891 17.248 36.244 1.00 34.52 C ATOM 574 CG ARG A 73 5.569 18.082 37.336 1.00 42.88 C ATOM 575 CD ARG A 73 4.717 18.174 38.612 1.00 52.56 C ATOM 576 NE ARG A 73 3.701 19.231 38.546 1.00 60.96 N ATOM 577 CZ ARG A 73 2.490 19.158 39.102 1.00 62.43 C ATOM 578 NH1 ARG A 73 2.120 18.066 39.770 1.00 61.38 N ATOM 579 NH2 ARG A 73 1.655 20.191 39.009 1.00 61.18 N ATOM 580 N ASN A 74 4.305 14.454 34.648 1.00 26.07 N ATOM 581 CA ASN A 74 3.700 13.781 33.502 1.00 21.59 C ATOM 582 C ASN A 74 2.194 14.080 33.574 1.00 20.07 C ATOM 583 O ASN A 74 1.362 13.176 33.688 1.00 18.49 O ATOM 584 CB ASN A 74 4.008 12.281 33.602 1.00 19.65 C ATOM 585 CG ASN A 74 3.411 11.463 32.468 1.00 20.58 C ATOM 586 OD1 ASN A 74 2.946 11.994 31.463 1.00 21.69 O ATOM 587 ND2 ASN A 74 3.400 10.147 32.645 1.00 21.15 N ATOM 588 N LEU A 75 1.857 15.365 33.472 1.00 19.00 N ATOM 589 CA LEU A 75 0.472 15.820 33.574 1.00 18.57 C ATOM 590 C LEU A 75 -0.558 15.163 32.654 1.00 18.66 C ATOM 591 O LEU A 75 -1.729 15.079 33.013 1.00 18.21 O ATOM 592 CB LEU A 75 0.397 17.349 33.513 1.00 20.26 C ATOM 593 CG LEU A 75 1.171 18.095 34.611 1.00 20.28 C ATOM 594 CD1 LEU A 75 0.917 19.593 34.520 1.00 22.22 C ATOM 595 CD2 LEU A 75 0.768 17.563 35.980 1.00 25.32 C ATOM 596 N CYS A 76 -0.143 14.700 31.477 1.00 17.30 N ATOM 597 CA CYS A 76 -1.077 14.028 30.579 1.00 17.25 C ATOM 598 C CYS A 76 -1.075 12.513 30.784 1.00 19.61 C ATOM 599 O CYS A 76 -1.860 11.796 30.157 1.00 19.38 O ATOM 600 CB CYS A 76 -0.785 14.364 29.126 1.00 12.56 C ATOM 601 SG CYS A 76 -1.281 16.063 28.737 1.00 16.62 S ATOM 602 N ASN A 77 -0.187 12.038 31.658 1.00 21.64 N ATOM 603 CA ASN A 77 -0.058 10.613 31.990 1.00 24.23 C ATOM 604 C ASN A 77 0.124 9.686 30.793 1.00 23.01 C ATOM 605 O ASN A 77 -0.611 8.705 30.612 1.00 22.10 O ATOM 606 CB ASN A 77 -1.243 10.146 32.841 1.00 32.36 C ATOM 607 CG ASN A 77 -0.812 9.664 34.212 1.00 41.45 C ATOM 608 OD1 ASN A 77 -0.111 8.650 34.335 1.00 43.45 O ATOM 609 ND2 ASN A 77 -1.192 10.408 35.252 1.00 44.36 N ATOM 610 N ILE A 78 1.133 9.983 29.991 1.00 19.99 N ATOM 611 CA ILE A 78 1.412 9.193 28.805 1.00 20.21 C ATOM 612 C ILE A 78 2.891 9.260 28.466 1.00 19.38 C ATOM 613 O ILE A 78 3.594 10.205 28.857 1.00 16.86 O ATOM 614 CB ILE A 78 0.694 9.758 27.549 1.00 19.88 C ATOM 615 CG1 ILE A 78 0.853 11.285 27.502 1.00 21.87 C ATOM 616 CG2 ILE A 78 -0.739 9.263 27.461 1.00 26.20 C ATOM 617 CD1 ILE A 78 0.348 11.943 26.225 1.00 26.28 C ATOM 618 N PRO A 79 3.403 8.215 27.803 1.00 20.03 N ATOM 619 CA PRO A 79 4.813 8.211 27.407 1.00 18.33 C ATOM 620 C PRO A 79 4.822 9.215 26.246 1.00 16.23 C ATOM 621 O PRO A 79 3.850 9.275 25.481 1.00 14.88 O ATOM 622 CB PRO A 79 5.022 6.791 26.870 1.00 18.17 C ATOM 623 CG PRO A 79 3.943 5.982 27.546 1.00 24.09 C ATOM 624 CD PRO A 79 2.765 6.920 27.492 1.00 21.40 C ATOM 625 N CYS A 80 5.873 10.014 26.119 1.00 13.86 N ATOM 626 CA CYS A 80 5.935 10.993 25.036 1.00 13.31 C ATOM 627 C CYS A 80 5.820 10.342 23.650 1.00 13.63 C ATOM 628 O CYS A 80 5.334 10.964 22.704 1.00 14.30 O ATOM 629 CB CYS A 80 7.213 11.838 25.140 1.00 12.42 C ATOM 630 SG CYS A 80 7.351 12.858 26.656 1.00 13.36 S ATOM 631 N SER A 81 6.214 9.075 23.546 1.00 13.94 N ATOM 632 CA SER A 81 6.147 8.334 22.282 1.00 15.90 C ATOM 633 C SER A 81 4.723 8.206 21.735 1.00 15.90 C ATOM 634 O SER A 81 4.528 8.136 20.515 1.00 17.38 O ATOM 635 CB SER A 81 6.764 6.937 22.437 1.00 14.85 C ATOM 636 OG SER A 81 6.184 6.237 23.531 1.00 21.08 O ATOM 637 N ALA A 82 3.736 8.162 22.627 1.00 15.07 N ATOM 638 CA ALA A 82 2.334 8.057 22.215 1.00 15.88 C ATOM 639 C ALA A 82 1.917 9.281 21.404 1.00 16.32 C ATOM 640 O ALA A 82 1.007 9.212 20.583 1.00 16.85 O ATOM 641 CB ALA A 82 1.440 7.918 23.431 1.00 16.14 C ATOM 642 N LEU A 83 2.627 10.389 21.603 1.00 16.53 N ATOM 643 CA LEU A 83 2.332 11.636 20.900 1.00 17.44 C ATOM 644 C LEU A 83 2.884 11.681 19.475 1.00 17.49 C ATOM 645 O LEU A 83 2.638 12.642 18.751 1.00 18.56 O ATOM 646 CB LEU A 83 2.861 12.835 21.691 1.00 16.99 C ATOM 647 CG LEU A 83 2.324 13.017 23.111 1.00 17.75 C ATOM 648 CD1 LEU A 83 3.038 14.177 23.781 1.00 16.49 C ATOM 649 CD2 LEU A 83 0.827 13.251 23.079 1.00 14.93 C ATOM 650 N LEU A 84 3.609 10.645 19.062 1.00 16.22 N ATOM 651 CA LEU A 84 4.183 10.598 17.717 1.00 17.65 C ATOM 652 C LEU A 84 3.399 9.685 16.771 1.00 19.94 C ATOM 653 O LEU A 84 3.729 9.562 15.588 1.00 21.92 O ATOM 654 CB LEU A 84 5.648 10.146 17.788 1.00 16.35 C ATOM 655 CG LEU A 84 6.583 10.970 18.682 1.00 19.14 C ATOM 656 CD1 LEU A 84 7.979 10.401 18.629 1.00 21.36 C ATOM 657 CD2 LEU A 84 6.603 12.414 18.240 1.00 15.30 C ATOM 658 N SER A 85 2.336 9.080 17.297 1.00 20.65 N ATOM 659 CA SER A 85 1.484 8.155 16.552 1.00 20.32 C ATOM 660 C SER A 85 0.770 8.778 15.354 1.00 21.10 C ATOM 661 O SER A 85 0.600 9.996 15.276 1.00 22.03 O ATOM 662 CB SER A 85 0.436 7.578 17.508 1.00 21.19 C ATOM 663 OG SER A 85 -0.482 6.723 16.840 1.00 23.58 O ATOM 664 N SER A 86 0.343 7.927 14.423 1.00 21.76 N ATOM 665 CA SER A 86 -0.409 8.375 13.247 1.00 23.71 C ATOM 666 C SER A 86 -1.805 8.776 13.725 1.00 22.45 C ATOM 667 O SER A 86 -2.509 9.538 13.068 1.00 24.43 O ATOM 668 CB SER A 86 -0.528 7.242 12.223 1.00 26.18 C ATOM 669 OG SER A 86 0.726 6.995 11.612 1.00 37.45 O ATOM 670 N ASP A 87 -2.197 8.240 14.872 1.00 21.72 N ATOM 671 CA ASP A 87 -3.488 8.532 15.467 1.00 20.88 C ATOM 672 C ASP A 87 -3.251 9.727 16.390 1.00 20.59 C ATOM 673 O ASP A 87 -2.507 9.628 17.379 1.00 19.89 O ATOM 674 CB ASP A 87 -3.970 7.315 16.257 1.00 25.82 C ATOM 675 CG ASP A 87 -5.358 7.500 16.849 1.00 29.03 C ATOM 676 OD1 ASP A 87 -5.857 6.539 17.468 1.00 36.74 O ATOM 677 OD2 ASP A 87 -5.960 8.585 16.705 1.00 34.87 O ATOM 678 N ILE A 88 -3.910 10.843 16.085 1.00 19.96 N ATOM 679 CA ILE A 88 -3.719 12.063 16.863 1.00 18.09 C ATOM 680 C ILE A 88 -4.454 12.159 18.184 1.00 17.53 C ATOM 681 O ILE A 88 -4.293 13.141 18.909 1.00 17.96 O ATOM 682 CB ILE A 88 -4.023 13.324 16.026 1.00 16.67 C ATOM 683 CG1 ILE A 88 -5.528 13.428 15.704 1.00 17.25 C ATOM 684 CG2 ILE A 88 -3.150 13.323 14.764 1.00 18.11 C ATOM 685 CD1 ILE A 88 -5.942 14.781 15.161 1.00 15.82 C ATOM 686 N THR A 89 -5.201 11.124 18.537 1.00 17.06 N ATOM 687 CA THR A 89 -5.969 11.134 19.775 1.00 16.98 C ATOM 688 C THR A 89 -5.205 11.533 21.040 1.00 16.30 C ATOM 689 O THR A 89 -5.636 12.443 21.748 1.00 16.63 O ATOM 690 CB THR A 89 -6.717 9.801 19.966 1.00 15.31 C ATOM 691 OG1 THR A 89 -7.533 9.580 18.816 1.00 20.17 O ATOM 692 CG2 THR A 89 -7.637 9.867 21.180 1.00 17.56 C ATOM 693 N ALA A 90 -4.051 10.926 21.293 1.00 14.83 N ATOM 694 CA ALA A 90 -3.300 11.259 22.497 1.00 15.20 C ATOM 695 C ALA A 90 -2.856 12.712 22.474 1.00 14.02 C ATOM 696 O ALA A 90 -2.879 13.385 23.511 1.00 15.22 O ATOM 697 CB ALA A 90 -2.102 10.347 22.652 1.00 14.62 C ATOM 698 N SER A 91 -2.442 13.192 21.302 1.00 12.76 N ATOM 699 CA SER A 91 -1.991 14.573 21.174 1.00 14.10 C ATOM 700 C SER A 91 -3.148 15.526 21.439 1.00 13.58 C ATOM 701 O SER A 91 -3.002 16.504 22.176 1.00 15.43 O ATOM 702 CB SER A 91 -1.375 14.828 19.796 1.00 13.01 C ATOM 703 OG SER A 91 -0.044 14.348 19.748 1.00 15.43 O ATOM 704 N VAL A 92 -4.314 15.190 20.900 1.00 13.55 N ATOM 705 CA VAL A 92 -5.509 16.002 21.065 1.00 13.30 C ATOM 706 C VAL A 92 -5.961 16.072 22.528 1.00 13.82 C ATOM 707 O VAL A 92 -6.161 17.161 23.070 1.00 13.89 O ATOM 708 CB VAL A 92 -6.644 15.477 20.157 1.00 15.44 C ATOM 709 CG1 VAL A 92 -7.970 16.189 20.473 1.00 19.10 C ATOM 710 CG2 VAL A 92 -6.272 15.715 18.704 1.00 16.52 C ATOM 711 N ASN A 93 -6.072 14.924 23.185 1.00 13.40 N ATOM 712 CA ASN A 93 -6.502 14.901 24.581 1.00 15.76 C ATOM 713 C ASN A 93 -5.546 15.645 25.506 1.00 15.41 C ATOM 714 O ASN A 93 -5.977 16.295 26.462 1.00 15.12 O ATOM 715 CB ASN A 93 -6.702 13.466 25.068 1.00 18.03 C ATOM 716 CG ASN A 93 -7.914 12.801 24.427 1.00 23.09 C ATOM 717 OD1 ASN A 93 -8.724 13.451 23.761 1.00 25.37 O ATOM 718 ND2 ASN A 93 -8.032 11.495 24.609 1.00 28.28 N ATOM 719 N CYS A 94 -4.253 15.581 25.210 1.00 14.55 N ATOM 720 CA CYS A 94 -3.265 16.275 26.030 1.00 14.49 C ATOM 721 C CYS A 94 -3.332 17.785 25.763 1.00 12.98 C ATOM 722 O CYS A 94 -3.275 18.588 26.696 1.00 12.21 O ATOM 723 CB CYS A 94 -1.861 15.716 25.764 1.00 13.18 C ATOM 724 SG CYS A 94 -0.571 16.371 26.862 1.00 15.56 S ATOM 725 N ALA A 95 -3.489 18.168 24.496 1.00 13.13 N ATOM 726 CA ALA A 95 -3.590 19.580 24.127 1.00 12.65 C ATOM 727 C ALA A 95 -4.789 20.245 24.828 1.00 14.01 C ATOM 728 O ALA A 95 -4.699 21.398 25.259 1.00 13.69 O ATOM 729 CB ALA A 95 -3.705 19.726 22.612 1.00 9.33 C ATOM 730 N LYS A 96 -5.899 19.516 24.950 1.00 14.57 N ATOM 731 CA LYS A 96 -7.099 20.027 25.626 1.00 15.97 C ATOM 732 C LYS A 96 -6.789 20.350 27.083 1.00 16.88 C ATOM 733 O LYS A 96 -7.327 21.296 27.638 1.00 16.77 O ATOM 734 CB LYS A 96 -8.239 19.009 25.560 1.00 17.41 C ATOM 735 CG LYS A 96 -8.879 18.892 24.194 1.00 17.45 C ATOM 736 CD LYS A 96 -9.932 17.805 24.183 1.00 18.25 C ATOM 737 CE LYS A 96 -10.765 17.901 22.929 1.00 20.51 C ATOM 738 NZ LYS A 96 -11.668 16.728 22.858 1.00 23.70 N ATOM 739 N LYS A 97 -5.908 19.569 27.701 1.00 16.31 N ATOM 740 CA LYS A 97 -5.532 19.829 29.084 1.00 17.01 C ATOM 741 C LYS A 97 -4.609 21.070 29.142 1.00 17.10 C ATOM 742 O LYS A 97 -4.786 21.952 29.984 1.00 16.02 O ATOM 743 CB LYS A 97 -4.849 18.598 29.681 1.00 19.16 C ATOM 744 CG LYS A 97 -4.723 18.635 31.198 1.00 29.85 C ATOM 745 CD LYS A 97 -4.272 17.287 31.759 1.00 34.93 C ATOM 746 CE LYS A 97 -5.240 16.157 31.386 1.00 40.22 C ATOM 747 NZ LYS A 97 -4.947 14.909 32.160 1.00 43.83 N ATOM 748 N ILE A 98 -3.653 21.154 28.216 1.00 14.78 N ATOM 749 CA ILE A 98 -2.724 22.290 28.160 1.00 16.11 C ATOM 750 C ILE A 98 -3.477 23.615 27.951 1.00 15.00 C ATOM 751 O ILE A 98 -3.300 24.562 28.702 1.00 13.08 O ATOM 752 CB ILE A 98 -1.690 22.137 26.997 1.00 14.48 C ATOM 753 CG1 ILE A 98 -0.767 20.942 27.245 1.00 14.53 C ATOM 754 CG2 ILE A 98 -0.862 23.400 26.836 1.00 12.58 C ATOM 755 CD1 ILE A 98 0.118 20.608 26.071 1.00 13.55 C ATOM 756 N VAL A 99 -4.329 23.665 26.936 1.00 16.49 N ATOM 757 CA VAL A 99 -5.061 24.880 26.621 1.00 18.75 C ATOM 758 C VAL A 99 -6.029 25.312 27.724 1.00 22.02 C ATOM 759 O VAL A 99 -6.414 26.486 27.788 1.00 20.75 O ATOM 760 CB VAL A 99 -5.798 24.753 25.259 1.00 18.29 C ATOM 761 CG1 VAL A 99 -7.039 23.888 25.388 1.00 15.07 C ATOM 762 CG2 VAL A 99 -6.136 26.127 24.710 1.00 17.75 C ATOM 763 N SER A 100 -6.390 24.373 28.601 1.00 23.11 N ATOM 764 CA SER A 100 -7.291 24.642 29.721 1.00 25.72 C ATOM 765 C SER A 100 -6.570 25.069 31.004 1.00 27.56 C ATOM 766 O SER A 100 -7.225 25.471 31.958 1.00 27.57 O ATOM 767 CB SER A 100 -8.142 23.400 30.030 1.00 24.34 C ATOM 768 OG SER A 100 -8.941 23.020 28.923 1.00 26.43 O ATOM 769 N ASP A 101 -5.239 25.034 31.024 1.00 31.79 N ATOM 770 CA ASP A 101 -4.514 25.386 32.246 1.00 35.57 C ATOM 771 C ASP A 101 -4.271 26.876 32.554 1.00 36.97 C ATOM 772 O ASP A 101 -3.375 27.217 33.340 1.00 38.97 O ATOM 773 CB ASP A 101 -3.230 24.533 32.394 1.00 38.96 C ATOM 774 CG ASP A 101 -1.964 25.252 31.934 1.00 42.20 C ATOM 775 OD1 ASP A 101 -0.949 25.165 32.658 1.00 46.83 O ATOM 776 OD2 ASP A 101 -1.984 25.900 30.867 1.00 46.14 O ATOM 777 N GLY A 102 -5.049 27.762 31.935 1.00 35.33 N ATOM 778 CA GLY A 102 -4.893 29.176 32.221 1.00 34.15 C ATOM 779 C GLY A 102 -4.308 30.115 31.178 1.00 33.21 C ATOM 780 O GLY A 102 -4.788 31.245 31.049 1.00 34.81 O ATOM 781 N ASN A 103 -3.305 29.677 30.420 1.00 29.58 N ATOM 782 CA ASN A 103 -2.682 30.552 29.419 1.00 25.42 C ATOM 783 C ASN A 103 -3.223 30.397 28.007 1.00 20.59 C ATOM 784 O ASN A 103 -2.764 31.057 27.074 1.00 18.85 O ATOM 785 CB ASN A 103 -1.172 30.349 29.442 1.00 32.03 C ATOM 786 CG ASN A 103 -0.614 30.451 30.842 1.00 41.30 C ATOM 787 OD1 ASN A 103 -0.589 31.538 31.429 1.00 45.17 O ATOM 788 ND2 ASN A 103 -0.228 29.309 31.418 1.00 43.75 N ATOM 789 N GLY A 104 -4.214 29.537 27.857 1.00 17.10 N ATOM 790 CA GLY A 104 -4.802 29.318 26.553 1.00 15.29 C ATOM 791 C GLY A 104 -3.793 28.775 25.562 1.00 12.72 C ATOM 792 O GLY A 104 -2.882 28.030 25.941 1.00 13.20 O ATOM 793 N MET A 105 -3.934 29.174 24.303 1.00 11.61 N ATOM 794 CA MET A 105 -3.037 28.718 23.244 1.00 12.06 C ATOM 795 C MET A 105 -1.688 29.421 23.257 1.00 12.39 C ATOM 796 O MET A 105 -0.814 29.095 22.461 1.00 11.14 O ATOM 797 CB MET A 105 -3.703 28.839 21.873 1.00 10.74 C ATOM 798 CG MET A 105 -4.735 27.735 21.627 1.00 9.58 C ATOM 799 SD MET A 105 -5.180 27.521 19.909 1.00 15.08 S ATOM 800 CE MET A 105 -3.703 26.609 19.284 1.00 11.76 C ATOM 801 N ASN A 106 -1.527 30.379 24.172 1.00 12.83 N ATOM 802 CA ASN A 106 -0.264 31.092 24.310 1.00 13.87 C ATOM 803 C ASN A 106 0.822 30.113 24.750 1.00 13.01 C ATOM 804 O ASN A 106 2.005 30.415 24.650 1.00 13.30 O ATOM 805 CB ASN A 106 -0.385 32.258 25.298 1.00 13.69 C ATOM 806 CG ASN A 106 -1.225 33.395 24.751 1.00 13.74 C ATOM 807 OD1 ASN A 106 -0.904 33.991 23.716 1.00 14.02 O ATOM 808 ND2 ASN A 106 -2.314 33.692 25.430 1.00 16.33 N ATOM 809 N ALA A 107 0.406 28.934 25.214 1.00 13.60 N ATOM 810 CA ALA A 107 1.331 27.873 25.622 1.00 14.77 C ATOM 811 C ALA A 107 2.158 27.403 24.413 1.00 16.02 C ATOM 812 O ALA A 107 3.208 26.790 24.589 1.00 19.63 O ATOM 813 CB ALA A 107 0.565 26.694 26.210 1.00 14.17 C ATOM 814 N TRP A 108 1.650 27.626 23.202 1.00 12.86 N ATOM 815 CA TRP A 108 2.355 27.252 21.976 1.00 13.78 C ATOM 816 C TRP A 108 3.005 28.504 21.384 1.00 13.58 C ATOM 817 O TRP A 108 2.315 29.370 20.830 1.00 11.36 O ATOM 818 CB TRP A 108 1.388 26.622 20.961 1.00 12.63 C ATOM 819 CG TRP A 108 1.009 25.211 21.305 1.00 13.14 C ATOM 820 CD1 TRP A 108 1.727 24.082 21.022 1.00 12.39 C ATOM 821 CD2 TRP A 108 -0.159 24.778 22.014 1.00 13.49 C ATOM 822 NE1 TRP A 108 1.078 22.977 21.515 1.00 14.30 N ATOM 823 CE2 TRP A 108 -0.077 23.369 22.130 1.00 13.24 C ATOM 824 CE3 TRP A 108 -1.261 25.440 22.573 1.00 13.82 C ATOM 825 CZ2 TRP A 108 -1.054 22.610 22.776 1.00 13.16 C ATOM 826 CZ3 TRP A 108 -2.232 24.683 23.219 1.00 14.61 C ATOM 827 CH2 TRP A 108 -2.121 23.281 23.317 1.00 11.26 C ATOM 828 N VAL A 109 4.333 28.598 21.511 1.00 14.13 N ATOM 829 CA VAL A 109 5.104 29.741 21.007 1.00 15.45 C ATOM 830 C VAL A 109 4.836 30.075 19.535 1.00 14.32 C ATOM 831 O VAL A 109 4.664 31.252 19.177 1.00 14.92 O ATOM 832 CB VAL A 109 6.637 29.560 21.220 1.00 16.40 C ATOM 833 CG1 VAL A 109 7.389 30.797 20.735 1.00 18.29 C ATOM 834 CG2 VAL A 109 6.943 29.324 22.697 1.00 22.99 C ATOM 835 N ALA A 110 4.796 29.062 18.677 1.00 13.24 N ATOM 836 CA ALA A 110 4.536 29.326 17.261 1.00 14.01 C ATOM 837 C ALA A 110 3.123 29.894 17.060 1.00 14.01 C ATOM 838 O ALA A 110 2.911 30.729 16.181 1.00 14.74 O ATOM 839 CB ALA A 110 4.737 28.081 16.422 1.00 11.99 C ATOM 840 N TRP A 111 2.162 29.464 17.876 1.00 13.24 N ATOM 841 CA TRP A 111 0.804 29.983 17.739 1.00 12.75 C ATOM 842 C TRP A 111 0.804 31.471 18.101 1.00 13.59 C ATOM 843 O TRP A 111 0.251 32.309 17.379 1.00 11.17 O ATOM 844 CB TRP A 111 -0.190 29.242 18.647 1.00 10.67 C ATOM 845 CG TRP A 111 -1.560 29.853 18.558 1.00 10.82 C ATOM 846 CD1 TRP A 111 -2.474 29.649 17.563 1.00 13.86 C ATOM 847 CD2 TRP A 111 -2.128 30.849 19.424 1.00 10.84 C ATOM 848 NE1 TRP A 111 -3.565 30.459 17.754 1.00 10.41 N ATOM 849 CE2 TRP A 111 -3.384 31.206 18.885 1.00 11.91 C ATOM 850 CE3 TRP A 111 -1.697 31.474 20.608 1.00 9.85 C ATOM 851 CZ2 TRP A 111 -4.221 32.163 19.493 1.00 13.19 C ATOM 852 CZ3 TRP A 111 -2.524 32.425 21.204 1.00 12.65 C ATOM 853 CH2 TRP A 111 -3.773 32.762 20.648 1.00 8.87 C ATOM 854 N ARG A 112 1.432 31.789 19.224 1.00 12.68 N ATOM 855 CA ARG A 112 1.480 33.155 19.696 1.00 14.63 C ATOM 856 C ARG A 112 2.190 34.047 18.690 1.00 14.82 C ATOM 857 O ARG A 112 1.712 35.138 18.368 1.00 14.25 O ATOM 858 CB ARG A 112 2.209 33.214 21.033 1.00 15.56 C ATOM 859 CG ARG A 112 1.872 34.457 21.819 1.00 28.24 C ATOM 860 CD ARG A 112 2.807 34.667 22.994 1.00 32.18 C ATOM 861 NE ARG A 112 3.242 33.398 23.566 1.00 38.02 N ATOM 862 CZ ARG A 112 4.517 33.041 23.708 1.00 40.85 C ATOM 863 NH1 ARG A 112 5.493 33.859 23.319 1.00 39.08 N ATOM 864 NH2 ARG A 112 4.819 31.860 24.235 1.00 41.57 N ATOM 865 N ASN A 113 3.288 33.552 18.130 1.00 14.59 N ATOM 866 CA ASN A 113 4.062 34.357 17.197 1.00 15.30 C ATOM 867 C ASN A 113 3.666 34.336 15.738 1.00 15.46 C ATOM 868 O ASN A 113 4.036 35.247 14.995 1.00 15.99 O ATOM 869 CB ASN A 113 5.552 34.018 17.306 1.00 15.95 C ATOM 870 CG ASN A 113 6.152 34.443 18.631 1.00 17.54 C ATOM 871 OD1 ASN A 113 5.810 35.497 19.168 1.00 18.24 O ATOM 872 ND2 ASN A 113 7.067 33.639 19.154 1.00 16.45 N ATOM 873 N ARG A 114 2.924 33.323 15.312 1.00 13.85 N ATOM 874 CA ARG A 114 2.586 33.230 13.894 1.00 15.12 C ATOM 875 C ARG A 114 1.115 33.068 13.529 1.00 14.20 C ATOM 876 O ARG A 114 0.752 33.215 12.366 1.00 15.99 O ATOM 877 CB ARG A 114 3.404 32.095 13.270 1.00 13.58 C ATOM 878 CG ARG A 114 4.878 32.211 13.619 1.00 16.98 C ATOM 879 CD ARG A 114 5.698 31.112 13.048 1.00 15.90 C ATOM 880 NE ARG A 114 5.830 31.220 11.602 1.00 17.36 N ATOM 881 CZ ARG A 114 6.631 30.443 10.884 1.00 16.16 C ATOM 882 NH1 ARG A 114 7.368 29.519 11.492 1.00 17.34 N ATOM 883 NH2 ARG A 114 6.658 30.554 9.565 1.00 15.41 N ATOM 884 N CYS A 115 0.268 32.779 14.507 1.00 13.50 N ATOM 885 CA CYS A 115 -1.147 32.586 14.245 1.00 12.82 C ATOM 886 C CYS A 115 -2.011 33.606 14.932 1.00 12.96 C ATOM 887 O CYS A 115 -2.978 34.093 14.344 1.00 13.42 O ATOM 888 CB CYS A 115 -1.578 31.197 14.712 1.00 11.78 C ATOM 889 SG CYS A 115 -0.600 29.876 13.956 1.00 13.55 S ATOM 890 N LYS A 116 -1.685 33.893 16.187 1.00 12.07 N ATOM 891 CA LYS A 116 -2.428 34.844 17.000 1.00 14.24 C ATOM 892 C LYS A 116 -2.605 36.175 16.284 1.00 16.72 C ATOM 893 O LYS A 116 -1.632 36.770 15.817 1.00 15.62 O ATOM 894 CB LYS A 116 -1.695 35.065 18.323 1.00 13.44 C ATOM 895 CG LYS A 116 -2.463 35.891 19.340 1.00 13.97 C ATOM 896 CD LYS A 116 -1.680 35.982 20.638 1.00 13.52 C ATOM 897 CE LYS A 116 -2.479 36.669 21.737 1.00 15.71 C ATOM 898 NZ LYS A 116 -1.752 36.602 23.038 1.00 12.57 N ATOM 899 N GLY A 117 -3.856 36.619 16.173 1.00 19.81 N ATOM 900 CA GLY A 117 -4.145 37.888 15.523 1.00 21.17 C ATOM 901 C GLY A 117 -4.120 37.897 14.003 1.00 21.91 C ATOM 902 O GLY A 117 -4.146 38.969 13.400 1.00 23.72 O ATOM 903 N THR A 118 -4.033 36.723 13.381 1.00 20.42 N ATOM 904 CA THR A 118 -4.018 36.624 11.920 1.00 19.69 C ATOM 905 C THR A 118 -5.363 36.046 11.496 1.00 19.53 C ATOM 906 O THR A 118 -6.195 35.720 12.342 1.00 18.92 O ATOM 907 CB THR A 118 -2.851 35.716 11.384 1.00 17.83 C ATOM 908 OG1 THR A 118 -3.110 34.336 11.678 1.00 18.33 O ATOM 909 CG2 THR A 118 -1.515 36.117 12.000 1.00 15.93 C ATOM 910 N ASP A 119 -5.605 35.950 10.198 1.00 22.07 N ATOM 911 CA ASP A 119 -6.864 35.379 9.745 1.00 24.12 C ATOM 912 C ASP A 119 -6.707 33.858 9.714 1.00 24.08 C ATOM 913 O ASP A 119 -6.363 33.269 8.684 1.00 24.14 O ATOM 914 CB ASP A 119 -7.242 35.914 8.365 1.00 30.34 C ATOM 915 CG ASP A 119 -8.535 35.298 7.831 1.00 36.26 C ATOM 916 OD1 ASP A 119 -9.428 34.943 8.643 1.00 39.06 O ATOM 917 OD2 ASP A 119 -8.653 35.170 6.588 1.00 42.09 O ATOM 918 N VAL A 120 -6.953 33.228 10.857 1.00 23.30 N ATOM 919 CA VAL A 120 -6.821 31.783 10.989 1.00 22.60 C ATOM 920 C VAL A 120 -7.838 30.978 10.178 1.00 23.33 C ATOM 921 O VAL A 120 -7.602 29.806 9.879 1.00 22.04 O ATOM 922 CB VAL A 120 -6.853 31.348 12.464 1.00 20.07 C ATOM 923 CG1 VAL A 120 -5.668 31.949 13.193 1.00 20.94 C ATOM 924 CG2 VAL A 120 -8.147 31.801 13.122 1.00 17.04 C ATOM 925 N GLN A 121 -8.950 31.604 9.792 1.00 23.49 N ATOM 926 CA GLN A 121 -9.967 30.918 8.991 1.00 23.52 C ATOM 927 C GLN A 121 -9.365 30.449 7.671 1.00 21.16 C ATOM 928 O GLN A 121 -9.831 29.473 7.088 1.00 21.16 O ATOM 929 CB GLN A 121 -11.158 31.851 8.717 1.00 29.63 C ATOM 930 CG GLN A 121 -12.241 31.321 7.735 1.00 39.89 C ATOM 931 CD GLN A 121 -11.895 31.469 6.217 1.00 45.48 C ATOM 932 OE1 GLN A 121 -11.081 32.311 5.820 1.00 48.28 O ATOM 933 NE2 GLN A 121 -12.559 30.663 5.375 1.00 47.75 N ATOM 934 N ALA A 122 -8.334 31.138 7.201 1.00 19.28 N ATOM 935 CA ALA A 122 -7.695 30.759 5.950 1.00 18.42 C ATOM 936 C ALA A 122 -7.138 29.335 5.992 1.00 19.46 C ATOM 937 O ALA A 122 -7.082 28.654 4.968 1.00 16.95 O ATOM 938 CB ALA A 122 -6.597 31.737 5.603 1.00 18.53 C ATOM 939 N TRP A 123 -6.784 28.856 7.182 1.00 17.53 N ATOM 940 CA TRP A 123 -6.227 27.509 7.304 1.00 19.22 C ATOM 941 C TRP A 123 -7.227 26.376 7.023 1.00 19.00 C ATOM 942 O TRP A 123 -6.830 25.233 6.788 1.00 18.32 O ATOM 943 CB TRP A 123 -5.531 27.345 8.663 1.00 15.87 C ATOM 944 CG TRP A 123 -4.248 28.140 8.730 1.00 18.95 C ATOM 945 CD1 TRP A 123 -4.045 29.353 9.349 1.00 18.93 C ATOM 946 CD2 TRP A 123 -2.998 27.792 8.116 1.00 18.13 C ATOM 947 NE1 TRP A 123 -2.748 29.776 9.154 1.00 17.02 N ATOM 948 CE2 TRP A 123 -2.085 28.839 8.399 1.00 20.00 C ATOM 949 CE3 TRP A 123 -2.564 26.697 7.348 1.00 19.13 C ATOM 950 CZ2 TRP A 123 -0.764 28.820 7.940 1.00 17.93 C ATOM 951 CZ3 TRP A 123 -1.248 26.680 6.889 1.00 19.79 C ATOM 952 CH2 TRP A 123 -0.367 27.737 7.189 1.00 21.50 C ATOM 953 N ILE A 124 -8.522 26.685 7.049 1.00 18.56 N ATOM 954 CA ILE A 124 -9.540 25.676 6.761 1.00 20.57 C ATOM 955 C ILE A 124 -10.331 25.985 5.476 1.00 21.07 C ATOM 956 O ILE A 124 -11.241 25.248 5.109 1.00 21.47 O ATOM 957 CB ILE A 124 -10.503 25.474 7.957 1.00 19.30 C ATOM 958 CG1 ILE A 124 -11.130 26.810 8.369 1.00 18.78 C ATOM 959 CG2 ILE A 124 -9.751 24.833 9.130 1.00 18.12 C ATOM 960 CD1 ILE A 124 -12.099 26.701 9.503 1.00 25.77 C ATOM 961 N ARG A 125 -9.943 27.052 4.781 1.00 25.12 N ATOM 962 CA ARG A 125 -10.590 27.464 3.530 1.00 29.81 C ATOM 963 C ARG A 125 -10.532 26.291 2.548 1.00 29.30 C ATOM 964 O ARG A 125 -9.500 25.630 2.430 1.00 29.87 O ATOM 965 CB ARG A 125 -9.837 28.665 2.914 1.00 38.45 C ATOM 966 CG ARG A 125 -8.517 28.261 2.185 1.00 50.61 C ATOM 967 CD ARG A 125 -7.388 29.320 2.154 1.00 56.92 C ATOM 968 NE ARG A 125 -6.144 28.715 1.649 1.00 65.45 N ATOM 969 CZ ARG A 125 -4.972 28.691 2.291 1.00 69.11 C ATOM 970 NH1 ARG A 125 -4.839 29.244 3.492 1.00 72.36 N ATOM 971 NH2 ARG A 125 -3.927 28.071 1.746 1.00 69.52 N ATOM 972 N GLY A 126 -11.645 25.995 1.888 1.00 28.93 N ATOM 973 CA GLY A 126 -11.662 24.917 0.910 1.00 27.85 C ATOM 974 C GLY A 126 -11.880 23.490 1.373 1.00 28.39 C ATOM 975 O GLY A 126 -12.151 22.603 0.552 1.00 29.32 O ATOM 976 N CYS A 127 -11.778 23.249 2.675 1.00 27.38 N ATOM 977 CA CYS A 127 -11.960 21.898 3.202 1.00 26.80 C ATOM 978 C CYS A 127 -13.418 21.527 3.382 1.00 27.28 C ATOM 979 O CYS A 127 -14.218 22.324 3.870 1.00 27.75 O ATOM 980 CB CYS A 127 -11.257 21.746 4.548 1.00 22.74 C ATOM 981 SG CYS A 127 -9.544 22.322 4.545 1.00 20.94 S ATOM 982 N ARG A 128 -13.771 20.309 3.000 1.00 29.95 N ATOM 983 CA ARG A 128 -15.140 19.863 3.185 1.00 32.45 C ATOM 984 C ARG A 128 -15.205 19.369 4.619 1.00 32.59 C ATOM 985 O ARG A 128 -14.652 18.325 4.950 1.00 32.85 O ATOM 986 CB ARG A 128 -15.494 18.749 2.195 1.00 34.70 C ATOM 987 CG ARG A 128 -16.961 18.319 2.237 1.00 42.91 C ATOM 988 CD ARG A 128 -17.381 17.683 0.917 1.00 48.79 C ATOM 989 NE ARG A 128 -16.416 16.676 0.482 1.00 56.36 N ATOM 990 CZ ARG A 128 -15.942 16.567 -0.759 1.00 59.76 C ATOM 991 NH1 ARG A 128 -16.346 17.406 -1.711 1.00 62.28 N ATOM 992 NH2 ARG A 128 -15.058 15.614 -1.050 1.00 59.06 N ATOM 993 N LEU A 129 -15.779 20.192 5.485 1.00 34.48 N ATOM 994 CA LEU A 129 -15.921 19.874 6.904 1.00 37.67 C ATOM 995 C LEU A 129 -17.397 19.788 7.330 1.00 40.83 C ATOM 996 O LEU A 129 -18.273 20.284 6.571 1.00 43.32 O ATOM 997 CB LEU A 129 -15.190 20.936 7.730 1.00 34.63 C ATOM 998 CG LEU A 129 -13.746 20.705 8.196 1.00 37.18 C ATOM 999 CD1 LEU A 129 -13.090 19.541 7.492 1.00 36.68 C ATOM 1000 CD2 LEU A 129 -12.939 21.980 8.010 1.00 33.01 C ATOM 1001 OXT LEU A 129 -17.660 19.227 8.422 1.00 42.30 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -11.278 18.571 1.480 1.00 31.21 O HETATM 1004 O HOH A 131 -5.130 19.997 2.224 1.00 36.13 O HETATM 1005 O HOH A 132 -5.709 17.369 2.847 1.00 17.51 O HETATM 1006 O HOH A 133 1.033 18.775 4.298 1.00 29.62 O HETATM 1007 O HOH A 134 -0.098 23.465 3.852 1.00 34.74 O HETATM 1008 O HOH A 135 6.496 29.906 6.228 1.00 27.29 O HETATM 1009 O HOH A 136 -9.096 12.900 8.714 1.00 43.39 O HETATM 1010 O HOH A 137 8.031 28.383 8.115 1.00 19.48 O HETATM 1011 O HOH A 138 4.303 33.102 9.738 1.00 15.26 O HETATM 1012 O HOH A 139 3.616 7.188 10.400 1.00 28.99 O HETATM 1013 O HOH A 140 -9.955 33.969 11.176 1.00 47.85 O HETATM 1014 O HOH A 141 -11.163 28.985 11.937 1.00 15.81 O HETATM 1015 O HOH A 142 11.769 13.523 15.017 1.00 12.63 O HETATM 1016 O HOH A 143 0.891 36.350 15.254 1.00 23.33 O HETATM 1017 O HOH A 144 -0.489 12.288 16.543 1.00 25.94 O HETATM 1018 O HOH A 145 -14.864 20.011 16.826 1.00 23.12 O HETATM 1019 O HOH A 146 7.948 31.393 16.932 1.00 8.04 O HETATM 1020 O HOH A 147 1.275 14.009 17.014 1.00 23.15 O HETATM 1021 O HOH A 148 -1.060 11.289 19.215 1.00 18.32 O HETATM 1022 O HOH A 149 1.760 16.675 19.860 1.00 11.51 O HETATM 1023 O HOH A 150 5.673 26.189 22.539 1.00 40.05 O HETATM 1024 O HOH A 151 -2.777 12.374 26.334 1.00 36.92 O HETATM 1025 O HOH A 152 13.983 15.153 26.726 1.00 12.82 O HETATM 1026 O HOH A 153 -6.849 28.464 29.428 1.00 31.63 O HETATM 1027 O HOH A 154 10.327 6.241 31.107 1.00 22.30 O HETATM 1028 O HOH A 155 9.860 13.087 31.010 1.00 23.60 O HETATM 1029 O HOH A 156 11.737 11.803 32.788 1.00 22.31 O HETATM 1030 O HOH A 157 -9.569 15.375 3.649 1.00 42.64 O HETATM 1031 O HOH A 158 5.762 33.209 7.402 1.00 31.05 O HETATM 1032 O HOH A 159 5.628 11.063 9.477 1.00 17.00 O HETATM 1033 O HOH A 160 -2.528 32.417 9.615 1.00 29.01 O HETATM 1034 O HOH A 161 1.708 33.817 9.613 1.00 30.32 O HETATM 1035 O HOH A 162 -14.454 14.616 10.933 1.00 39.11 O HETATM 1036 O HOH A 163 8.446 18.047 10.785 1.00 23.49 O HETATM 1037 O HOH A 164 1.588 5.003 14.833 1.00 33.29 O HETATM 1038 O HOH A 165 -17.360 11.891 15.238 1.00 48.65 O HETATM 1039 O HOH A 166 7.641 28.930 14.567 1.00 24.39 O HETATM 1040 O HOH A 167 9.189 23.916 16.123 1.00 46.20 O HETATM 1041 O HOH A 168 -6.776 35.968 15.286 1.00 33.39 O HETATM 1042 O HOH A 169 16.302 18.567 18.317 1.00 25.34 O HETATM 1043 O HOH A 170 9.247 22.767 19.151 1.00 25.45 O HETATM 1044 O HOH A 171 -3.229 8.617 19.862 1.00 23.07 O HETATM 1045 O HOH A 172 2.800 23.766 24.283 1.00 49.51 O HETATM 1046 O HOH A 173 19.104 10.398 25.608 1.00 21.78 O HETATM 1047 O HOH A 174 4.175 21.748 25.404 1.00 27.48 O HETATM 1048 O HOH A 175 -2.133 27.384 28.449 1.00 24.74 O HETATM 1049 O HOH A 176 7.564 14.230 32.527 1.00 44.30 O HETATM 1050 O HOH A 177 -2.907 22.817 1.424 1.00 47.33 O HETATM 1051 O HOH A 178 -1.440 20.739 3.059 1.00 37.49 O HETATM 1052 O HOH A 179 2.798 10.280 5.710 1.00 29.83 O HETATM 1053 O HOH A 180 3.964 7.826 13.192 1.00 34.76 O HETATM 1054 O HOH A 181 -6.463 10.723 14.221 1.00 38.68 O HETATM 1055 O HOH A 182 9.201 20.869 14.196 1.00 40.40 O HETATM 1056 O HOH A 183 7.600 26.331 15.890 1.00 50.76 O HETATM 1057 O HOH A 184 8.216 25.231 19.212 1.00 36.41 O HETATM 1058 O HOH A 185 -0.710 6.734 20.631 1.00 31.27 O HETATM 1059 O HOH A 186 8.749 24.208 24.206 1.00 40.30 O HETATM 1060 O HOH A 187 -14.793 23.824 25.427 1.00 33.76 O HETATM 1061 O HOH A 188 4.264 24.044 28.171 1.00 36.65 O HETATM 1062 O HOH A 189 0.633 26.854 29.875 1.00 39.18 O HETATM 1063 O HOH A 190 -10.115 27.896 30.262 1.00 57.40 O HETATM 1064 O HOH A 191 1.340 11.764 36.186 1.00 36.73 O HETATM 1065 O HOH A 192 -14.547 25.453 4.996 1.00 53.11 O HETATM 1066 O HOH A 193 5.517 7.332 8.282 1.00 49.05 O HETATM 1067 O HOH A 194 -3.816 37.732 8.492 1.00 37.58 O HETATM 1068 O HOH A 195 -15.020 31.969 20.551 1.00 48.44 O HETATM 1069 O HOH A 196 10.403 23.468 29.099 1.00 43.09 O HETATM 1070 O HOH A 197 17.841 8.674 30.204 1.00 49.45 O HETATM 1071 O HOH A 198 4.327 19.376 5.021 1.00 48.52 O HETATM 1072 O HOH A 199 -4.113 34.449 7.802 1.00 47.18 O HETATM 1073 O HOH A 200 -13.673 28.371 11.898 1.00 52.73 O HETATM 1074 O HOH A 201 -8.568 38.056 11.502 1.00 36.90 O HETATM 1075 O HOH A 202 5.673 36.559 22.154 1.00 51.96 O HETATM 1076 O HOH A 203 14.984 25.516 23.622 1.00 48.73 O HETATM 1077 O HOH A 204 -8.638 15.489 27.894 1.00 42.76 O HETATM 1078 O HOH A 205 -0.263 16.111 39.869 1.00 47.37 O HETATM 1079 O HOH A 206 -8.562 22.460 -0.656 1.00 44.53 O HETATM 1080 O HOH A 207 5.319 24.497 3.167 1.00 47.84 O HETATM 1081 O HOH A 208 0.069 38.948 8.871 1.00 40.80 O HETATM 1082 O HOH A 209 6.693 24.336 26.334 1.00 51.92 O HETATM 1083 O HOH A 210 2.212 34.133 26.874 1.00 56.39 O HETATM 1084 O HOH A 211 1.256 32.170 28.644 1.00 53.07 O HETATM 1085 O HOH A 212 0.233 22.712 37.202 1.00 49.82 O HETATM 1086 O HOH A 213 9.144 28.765 17.767 1.00 55.61 O HETATM 1087 O HOH A 214 -13.950 20.514 28.885 1.00 43.49 O HETATM 1088 O HOH A 215 0.237 36.154 8.945 1.00 41.72 O HETATM 1089 O HOH A 216 -10.541 37.120 14.918 1.00 52.54 O HETATM 1090 O HOH A 217 -18.214 20.550 17.529 1.00 52.02 O HETATM 1091 O HOH A 218 17.313 21.899 33.323 1.00 40.86 O HETATM 1092 O HOH A 219 11.983 25.569 31.342 1.00 55.04 O HETATM 1093 O HOH A 220 14.935 7.735 33.934 1.00 38.06 O HETATM 1094 O HOH A 221 15.943 22.092 35.752 1.00 61.68 O HETATM 1095 O HOH A 222 -2.291 37.647 4.605 1.00 44.69 O HETATM 1096 O HOH A 223 -3.567 4.227 12.722 1.00 44.41 O HETATM 1097 O HOH A 224 -4.431 13.037 28.725 1.00 49.78 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 253 0 0 8 3 0 0 6 1096 1 8 10 END