HEADER HYDROLASE 24-SEP-98 1BWH TITLE THE 1.8 A STRUCTURE OF GROUND CONTROL GROWN TETRAGONAL HEN TITLE 2 EGG WHITE LYSOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (LYSOZYME); COMPND 3 CHAIN: A; COMPND 4 SYNONYM: GAL D IV, ALLERGEN GAL D 4; COMPND 5 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, 1,4-BETA-N-ACETYLMURAMIDASE C, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.DONG,T.J.BOGGON,N.E.CHAYEN,J.RAFTERY,R.C.BI REVDAT 4 24-FEB-09 1BWH 1 VERSN REVDAT 3 29-DEC-99 1BWH 4 HEADER COMPND REMARK JRNL REVDAT 3 2 4 ATOM SOURCE SEQRES REVDAT 2 04-NOV-98 1BWH 1 REMARK AUTHOR JRNL REVDAT 1 30-SEP-98 1BWH 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) (%) : 94.0 REMARK 3 NUMBER OF REFLECTIONS : 10967 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) : 0.184 REMARK 3 FREE R VALUE : 0.233 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 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 : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.20 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) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.57 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.92 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.08 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 1BWH 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 RCSB008238. 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 : 4.7 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) : 0.7107 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 : 12309 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 (%) : 88.8 REMARK 200 DATA REDUNDANCY : 5.900 REMARK 200 R MERGE (I) : 0.06900 REMARK 200 R SYM (I) : 0.07400 REMARK 200 FOR THE DATA SET : 22.0000 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 (%): 40.86 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALLISATION TOOK PLACE AS A REMARK 280 GROUND CONTROL TO HEWL CRYSTALLISATION IN THE EUROPEAN SPACE REMARK 280 AGENCY (ESA) ADVANCED PROTEIN CRYSTALLISATION FACILITY (APCF) REMARK 280 ONBOARD THE NASA SPACE SHUTTLE'S LIFE AND MICROGRAVITY REMARK 280 SPACELAB (LMS) MISSION (STS-78). A SOLUTION OF 21 MG OF HEN REMARK 280 EGG WHITE LYSOZYME (3 X CRYSTALLIZED, DIALYSED AND LYOPHILIZED REMARK 280 POWDER OF CHICKEN EGG WHITE LYSOZYME SUPPLIED BY SIGMA, L-6876 REMARK 280 BATCH NUMBER, LOT 53H7145) DISSOLVED IN 250 UL 0.04 M ACETATE REMARK 280 BUFFER (PH 4.7) WAS USED TO FILL THE PROTEIN CHAMBER (188 UL). REMARK 280 THE SALT CHAMBERS (541 UL) WERE FILLED WITH 1.35 M NACL AND REMARK 280 THE BUFFER CHAMBER (59 UL) WITH 0.04 M ACETATE BUFFER (PH 4.7) REMARK 280 . SODIUM AZIDE WAS ALSO ADDED TO THE PROTEIN AND BUFFER REMARK 280 SOLUTION AS AN ANTI-FUNGAL AGENT (1.92 MG PER 188 UL). REMARK 280 CRYSTALLISATION TOOK PLACE AT 20+/-1 C. 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 18.97800 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.63300 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.63300 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.46700 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.63300 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.63300 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.48900 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.63300 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.63300 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.46700 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.63300 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.63300 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.48900 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 18.97800 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 ASN A 74 66.15 -110.82 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 208 DISTANCE = 5.40 ANGSTROMS REMARK 525 HOH A 221 DISTANCE = 6.38 ANGSTROMS DBREF 1BWH 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 *92(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 2 THR A 43 ARG A 45 0 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.02 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 79.266 79.266 37.956 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 0.012616 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012616 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026346 0.00000 ATOM 1 N LYS A 1 3.385 10.074 10.140 1.00 17.12 N ATOM 2 CA LYS A 1 2.428 10.461 9.059 1.00 16.96 C ATOM 3 C LYS A 1 2.407 11.981 8.910 1.00 19.12 C ATOM 4 O LYS A 1 2.399 12.705 9.913 1.00 19.49 O ATOM 5 CB LYS A 1 1.026 9.966 9.420 1.00 19.15 C ATOM 6 CG LYS A 1 -0.068 10.325 8.440 1.00 19.12 C ATOM 7 CD LYS A 1 -1.412 9.929 9.029 1.00 28.09 C ATOM 8 CE LYS A 1 -2.530 10.013 8.006 1.00 30.40 C ATOM 9 NZ LYS A 1 -2.545 11.328 7.328 1.00 32.80 N ATOM 10 N VAL A 2 2.482 12.453 7.670 1.00 18.52 N ATOM 11 CA VAL A 2 2.441 13.882 7.363 1.00 19.27 C ATOM 12 C VAL A 2 1.022 14.146 6.857 1.00 19.62 C ATOM 13 O VAL A 2 0.620 13.615 5.820 1.00 23.38 O ATOM 14 CB VAL A 2 3.471 14.264 6.267 1.00 16.27 C ATOM 15 CG1 VAL A 2 3.289 15.719 5.841 1.00 20.38 C ATOM 16 CG2 VAL A 2 4.881 14.063 6.791 1.00 16.83 C ATOM 17 N PHE A 3 0.252 14.911 7.623 1.00 17.50 N ATOM 18 CA PHE A 3 -1.132 15.220 7.278 1.00 18.28 C ATOM 19 C PHE A 3 -1.281 16.291 6.204 1.00 20.28 C ATOM 20 O PHE A 3 -0.392 17.122 5.988 1.00 20.00 O ATOM 21 CB PHE A 3 -1.899 15.698 8.523 1.00 17.56 C ATOM 22 CG PHE A 3 -2.479 14.595 9.367 1.00 17.50 C ATOM 23 CD1 PHE A 3 -1.703 13.936 10.319 1.00 18.53 C ATOM 24 CD2 PHE A 3 -3.822 14.242 9.239 1.00 18.47 C ATOM 25 CE1 PHE A 3 -2.261 12.941 11.140 1.00 16.55 C ATOM 26 CE2 PHE A 3 -4.389 13.252 10.051 1.00 20.43 C ATOM 27 CZ PHE A 3 -3.605 12.602 11.007 1.00 19.95 C ATOM 28 N GLY A 4 -2.414 16.246 5.515 1.00 21.89 N ATOM 29 CA GLY A 4 -2.724 17.260 4.529 1.00 19.46 C ATOM 30 C GLY A 4 -3.472 18.286 5.363 1.00 18.25 C ATOM 31 O GLY A 4 -4.004 17.942 6.421 1.00 18.86 O ATOM 32 N ARG A 5 -3.524 19.528 4.904 1.00 19.35 N ATOM 33 CA ARG A 5 -4.208 20.600 5.632 1.00 18.95 C ATOM 34 C ARG A 5 -5.672 20.280 5.984 1.00 18.49 C ATOM 35 O ARG A 5 -6.068 20.332 7.152 1.00 15.69 O ATOM 36 CB ARG A 5 -4.116 21.886 4.807 1.00 19.35 C ATOM 37 CG ARG A 5 -4.737 23.109 5.431 1.00 18.49 C ATOM 38 CD ARG A 5 -4.475 24.337 4.562 1.00 19.78 C ATOM 39 NE ARG A 5 -4.995 24.176 3.206 1.00 25.69 N ATOM 40 CZ ARG A 5 -6.262 24.387 2.855 1.00 29.28 C ATOM 41 NH1 ARG A 5 -7.157 24.775 3.755 1.00 23.82 N ATOM 42 NH2 ARG A 5 -6.640 24.190 1.599 1.00 29.70 N ATOM 43 N CYS A 6 -6.464 19.927 4.971 1.00 19.20 N ATOM 44 CA CYS A 6 -7.875 19.600 5.176 1.00 18.52 C ATOM 45 C CYS A 6 -8.075 18.290 5.914 1.00 17.20 C ATOM 46 O CYS A 6 -9.020 18.140 6.689 1.00 20.14 O ATOM 47 CB CYS A 6 -8.621 19.579 3.843 1.00 19.24 C ATOM 48 SG CYS A 6 -8.703 21.214 3.053 1.00 20.53 S ATOM 49 N GLU A 7 -7.187 17.334 5.677 1.00 18.35 N ATOM 50 CA GLU A 7 -7.271 16.041 6.346 1.00 17.63 C ATOM 51 C GLU A 7 -7.114 16.231 7.861 1.00 16.68 C ATOM 52 O GLU A 7 -7.865 15.648 8.654 1.00 15.55 O ATOM 53 CB GLU A 7 -6.188 15.098 5.818 1.00 18.77 C ATOM 54 CG GLU A 7 -6.233 13.713 6.441 1.00 23.51 C ATOM 55 CD GLU A 7 -5.076 12.828 6.009 1.00 28.54 C ATOM 56 OE1 GLU A 7 -4.083 13.360 5.467 1.00 28.58 O ATOM 57 OE2 GLU A 7 -5.154 11.597 6.231 1.00 31.52 O ATOM 58 N LEU A 8 -6.161 17.070 8.258 1.00 14.27 N ATOM 59 CA LEU A 8 -5.930 17.342 9.672 1.00 13.83 C ATOM 60 C LEU A 8 -7.108 18.108 10.265 1.00 13.45 C ATOM 61 O LEU A 8 -7.536 17.821 11.382 1.00 14.69 O ATOM 62 CB LEU A 8 -4.641 18.145 9.868 1.00 14.16 C ATOM 63 CG LEU A 8 -4.305 18.456 11.327 1.00 14.75 C ATOM 64 CD1 LEU A 8 -4.061 17.169 12.103 1.00 15.32 C ATOM 65 CD2 LEU A 8 -3.091 19.352 11.381 1.00 16.09 C ATOM 66 N ALA A 9 -7.610 19.094 9.524 1.00 13.84 N ATOM 67 CA ALA A 9 -8.756 19.886 9.966 1.00 15.01 C ATOM 68 C ALA A 9 -9.931 18.963 10.327 1.00 16.17 C ATOM 69 O ALA A 9 -10.508 19.059 11.410 1.00 16.67 O ATOM 70 CB ALA A 9 -9.168 20.867 8.871 1.00 14.95 C ATOM 71 N ALA A 10 -10.243 18.038 9.427 1.00 15.91 N ATOM 72 CA ALA A 10 -11.333 17.095 9.640 1.00 17.70 C ATOM 73 C ALA A 10 -11.081 16.201 10.854 1.00 16.81 C ATOM 74 O ALA A 10 -11.980 15.959 11.655 1.00 16.78 O ATOM 75 CB ALA A 10 -11.541 16.251 8.391 1.00 17.80 C ATOM 76 N ALA A 11 -9.849 15.727 11.001 1.00 18.50 N ATOM 77 CA ALA A 11 -9.485 14.860 12.121 1.00 16.75 C ATOM 78 C ALA A 11 -9.607 15.606 13.451 1.00 17.59 C ATOM 79 O ALA A 11 -10.060 15.039 14.452 1.00 16.29 O ATOM 80 CB ALA A 11 -8.063 14.326 11.940 1.00 16.56 C ATOM 81 N MET A 12 -9.178 16.867 13.470 1.00 16.92 N ATOM 82 CA MET A 12 -9.249 17.664 14.687 1.00 16.08 C ATOM 83 C MET A 12 -10.695 17.980 14.999 1.00 16.72 C ATOM 84 O MET A 12 -11.106 17.942 16.162 1.00 17.82 O ATOM 85 CB MET A 12 -8.448 18.956 14.550 1.00 12.93 C ATOM 86 CG MET A 12 -6.952 18.748 14.569 1.00 17.31 C ATOM 87 SD MET A 12 -6.032 20.289 14.391 1.00 18.45 S ATOM 88 CE MET A 12 -4.588 19.925 15.350 1.00 15.18 C ATOM 89 N LYS A 13 -11.480 18.257 13.963 1.00 19.00 N ATOM 90 CA LYS A 13 -12.885 18.574 14.164 1.00 21.28 C ATOM 91 C LYS A 13 -13.567 17.385 14.822 1.00 21.27 C ATOM 92 O LYS A 13 -14.193 17.534 15.870 1.00 22.24 O ATOM 93 CB LYS A 13 -13.580 18.922 12.844 1.00 20.45 C ATOM 94 CG LYS A 13 -15.023 19.374 13.038 1.00 26.14 C ATOM 95 CD LYS A 13 -15.632 19.921 11.762 1.00 28.70 C ATOM 96 CE LYS A 13 -16.982 20.549 12.040 1.00 31.22 C ATOM 97 NZ LYS A 13 -17.387 21.465 10.940 1.00 38.53 N ATOM 98 N ARG A 14 -13.365 16.197 14.253 1.00 23.11 N ATOM 99 CA ARG A 14 -13.968 14.972 14.776 1.00 23.48 C ATOM 100 C ARG A 14 -13.567 14.712 16.225 1.00 23.31 C ATOM 101 O ARG A 14 -14.328 14.129 16.995 1.00 21.84 O ATOM 102 CB ARG A 14 -13.583 13.779 13.900 1.00 25.94 C ATOM 103 CG ARG A 14 -14.249 12.480 14.310 1.00 37.66 C ATOM 104 CD ARG A 14 -13.928 11.344 13.348 1.00 44.69 C ATOM 105 NE ARG A 14 -12.506 11.006 13.316 1.00 48.06 N ATOM 106 CZ ARG A 14 -11.932 10.098 14.101 1.00 50.26 C ATOM 107 NH1 ARG A 14 -12.655 9.425 14.990 1.00 49.82 N ATOM 108 NH2 ARG A 14 -10.634 9.844 13.980 1.00 52.60 N ATOM 109 N HIS A 15 -12.375 15.172 16.599 1.00 22.47 N ATOM 110 CA HIS A 15 -11.881 14.989 17.962 1.00 21.27 C ATOM 111 C HIS A 15 -12.276 16.099 18.938 1.00 19.78 C ATOM 112 O HIS A 15 -11.744 16.178 20.044 1.00 22.67 O ATOM 113 CB HIS A 15 -10.373 14.757 17.965 1.00 20.15 C ATOM 114 CG HIS A 15 -9.981 13.357 17.619 1.00 25.46 C ATOM 115 ND1 HIS A 15 -9.650 12.970 16.341 1.00 26.69 N ATOM 116 CD2 HIS A 15 -9.884 12.243 18.387 1.00 29.20 C ATOM 117 CE1 HIS A 15 -9.364 11.676 16.329 1.00 24.27 C ATOM 118 NE2 HIS A 15 -9.499 11.215 17.559 1.00 30.91 N ATOM 119 N GLY A 16 -13.193 16.963 18.511 1.00 20.46 N ATOM 120 CA GLY A 16 -13.692 18.028 19.362 1.00 20.76 C ATOM 121 C GLY A 16 -12.876 19.292 19.541 1.00 22.55 C ATOM 122 O GLY A 16 -13.145 20.053 20.472 1.00 23.31 O ATOM 123 N LEU A 17 -11.922 19.560 18.656 1.00 21.35 N ATOM 124 CA LEU A 17 -11.112 20.766 18.794 1.00 22.56 C ATOM 125 C LEU A 17 -11.734 22.056 18.258 1.00 24.47 C ATOM 126 O LEU A 17 -11.328 23.145 18.672 1.00 26.30 O ATOM 127 CB LEU A 17 -9.724 20.573 18.185 1.00 18.51 C ATOM 128 CG LEU A 17 -8.733 19.779 19.025 1.00 18.62 C ATOM 129 CD1 LEU A 17 -7.365 19.881 18.371 1.00 20.32 C ATOM 130 CD2 LEU A 17 -8.682 20.316 20.449 1.00 17.38 C ATOM 131 N ASP A 18 -12.703 21.959 17.348 1.00 24.01 N ATOM 132 CA ASP A 18 -13.328 23.162 16.796 1.00 25.42 C ATOM 133 C ASP A 18 -14.041 23.903 17.919 1.00 25.22 C ATOM 134 O ASP A 18 -14.955 23.371 18.542 1.00 25.19 O ATOM 135 CB ASP A 18 -14.316 22.818 15.671 1.00 29.27 C ATOM 136 CG ASP A 18 -14.852 24.057 14.937 1.00 36.93 C ATOM 137 OD1 ASP A 18 -14.261 25.160 15.043 1.00 36.58 O ATOM 138 OD2 ASP A 18 -15.875 23.920 14.226 1.00 40.77 O ATOM 139 N ASN A 19 -13.548 25.104 18.210 1.00 23.48 N ATOM 140 CA ASN A 19 -14.083 25.974 19.250 1.00 22.63 C ATOM 141 C ASN A 19 -13.870 25.500 20.685 1.00 21.71 C ATOM 142 O ASN A 19 -14.529 25.991 21.603 1.00 21.99 O ATOM 143 CB ASN A 19 -15.554 26.314 18.988 1.00 29.27 C ATOM 144 CG ASN A 19 -15.719 27.338 17.882 1.00 35.28 C ATOM 145 OD1 ASN A 19 -15.147 28.425 17.943 1.00 43.14 O ATOM 146 ND2 ASN A 19 -16.485 26.990 16.852 1.00 39.71 N ATOM 147 N TYR A 20 -12.927 24.580 20.894 1.00 21.38 N ATOM 148 CA TYR A 20 -12.636 24.105 22.244 1.00 18.41 C ATOM 149 C TYR A 20 -12.011 25.289 22.995 1.00 19.71 C ATOM 150 O TYR A 20 -11.019 25.864 22.540 1.00 17.64 O ATOM 151 CB TYR A 20 -11.685 22.907 22.216 1.00 18.21 C ATOM 152 CG TYR A 20 -11.515 22.268 23.575 1.00 19.27 C ATOM 153 CD1 TYR A 20 -12.450 21.354 24.056 1.00 20.63 C ATOM 154 CD2 TYR A 20 -10.448 22.619 24.404 1.00 18.98 C ATOM 155 CE1 TYR A 20 -12.335 20.807 25.340 1.00 25.07 C ATOM 156 CE2 TYR A 20 -10.322 22.082 25.683 1.00 20.98 C ATOM 157 CZ TYR A 20 -11.268 21.179 26.146 1.00 25.69 C ATOM 158 OH TYR A 20 -11.150 20.667 27.416 1.00 29.33 O ATOM 159 N ARG A 21 -12.631 25.666 24.114 1.00 19.97 N ATOM 160 CA ARG A 21 -12.205 26.806 24.945 1.00 20.44 C ATOM 161 C ARG A 21 -12.220 28.088 24.146 1.00 18.80 C ATOM 162 O ARG A 21 -11.467 29.020 24.430 1.00 20.32 O ATOM 163 CB ARG A 21 -10.815 26.602 25.555 1.00 19.75 C ATOM 164 CG ARG A 21 -10.755 25.554 26.629 1.00 28.75 C ATOM 165 CD ARG A 21 -11.624 25.897 27.818 1.00 35.79 C ATOM 166 NE ARG A 21 -11.912 24.682 28.573 1.00 44.64 N ATOM 167 CZ ARG A 21 -11.934 24.598 29.898 1.00 47.62 C ATOM 168 NH1 ARG A 21 -11.689 25.664 30.647 1.00 46.33 N ATOM 169 NH2 ARG A 21 -12.189 23.428 30.471 1.00 51.93 N ATOM 170 N GLY A 22 -13.077 28.126 23.133 1.00 18.37 N ATOM 171 CA GLY A 22 -13.196 29.310 22.300 1.00 18.23 C ATOM 172 C GLY A 22 -12.236 29.449 21.131 1.00 16.49 C ATOM 173 O GLY A 22 -12.253 30.475 20.454 1.00 17.76 O ATOM 174 N TYR A 23 -11.408 28.443 20.870 1.00 16.83 N ATOM 175 CA TYR A 23 -10.466 28.528 19.754 1.00 15.96 C ATOM 176 C TYR A 23 -10.992 27.793 18.532 1.00 15.74 C ATOM 177 O TYR A 23 -11.114 26.566 18.541 1.00 16.69 O ATOM 178 CB TYR A 23 -9.086 27.986 20.152 1.00 13.07 C ATOM 179 CG TYR A 23 -8.390 28.803 21.220 1.00 10.73 C ATOM 180 CD1 TYR A 23 -7.584 29.886 20.880 1.00 9.75 C ATOM 181 CD2 TYR A 23 -8.560 28.505 22.573 1.00 9.36 C ATOM 182 CE1 TYR A 23 -6.964 30.659 21.861 1.00 8.72 C ATOM 183 CE2 TYR A 23 -7.942 29.271 23.566 1.00 13.56 C ATOM 184 CZ TYR A 23 -7.146 30.350 23.200 1.00 11.11 C ATOM 185 OH TYR A 23 -6.534 31.112 24.174 1.00 13.65 O ATOM 186 N SER A 24 -11.334 28.554 17.494 1.00 16.46 N ATOM 187 CA SER A 24 -11.855 27.989 16.251 1.00 17.40 C ATOM 188 C SER A 24 -10.860 27.007 15.630 1.00 18.20 C ATOM 189 O SER A 24 -9.658 27.078 15.899 1.00 18.15 O ATOM 190 CB SER A 24 -12.180 29.110 15.260 1.00 18.38 C ATOM 191 OG SER A 24 -11.036 29.912 15.003 1.00 21.61 O ATOM 192 N LEU A 25 -11.357 26.138 14.755 1.00 16.63 N ATOM 193 CA LEU A 25 -10.527 25.130 14.101 1.00 15.03 C ATOM 194 C LEU A 25 -9.282 25.706 13.427 1.00 15.90 C ATOM 195 O LEU A 25 -8.201 25.111 13.497 1.00 15.62 O ATOM 196 CB LEU A 25 -11.366 24.348 13.087 1.00 17.75 C ATOM 197 CG LEU A 25 -10.904 22.963 12.629 1.00 17.08 C ATOM 198 CD1 LEU A 25 -10.598 22.063 13.824 1.00 15.53 C ATOM 199 CD2 LEU A 25 -12.009 22.353 11.776 1.00 20.04 C ATOM 200 N GLY A 26 -9.439 26.859 12.782 1.00 15.09 N ATOM 201 CA GLY A 26 -8.326 27.505 12.105 1.00 13.00 C ATOM 202 C GLY A 26 -7.104 27.722 12.983 1.00 14.22 C ATOM 203 O GLY A 26 -5.973 27.622 12.501 1.00 15.92 O ATOM 204 N ASN A 27 -7.316 28.002 14.267 1.00 11.97 N ATOM 205 CA ASN A 27 -6.204 28.229 15.201 1.00 13.82 C ATOM 206 C ASN A 27 -5.379 26.965 15.413 1.00 13.52 C ATOM 207 O ASN A 27 -4.147 27.009 15.418 1.00 13.99 O ATOM 208 CB ASN A 27 -6.716 28.706 16.568 1.00 14.56 C ATOM 209 CG ASN A 27 -7.197 30.146 16.550 1.00 16.68 C ATOM 210 OD1 ASN A 27 -6.401 31.074 16.544 1.00 13.00 O ATOM 211 ND2 ASN A 27 -8.509 30.334 16.534 1.00 16.17 N ATOM 212 N TRP A 28 -6.064 25.839 15.597 1.00 12.76 N ATOM 213 CA TRP A 28 -5.400 24.561 15.836 1.00 11.33 C ATOM 214 C TRP A 28 -4.630 24.074 14.624 1.00 11.69 C ATOM 215 O TRP A 28 -3.545 23.512 14.762 1.00 13.48 O ATOM 216 CB TRP A 28 -6.416 23.499 16.275 1.00 11.46 C ATOM 217 CG TRP A 28 -7.067 23.821 17.577 1.00 11.13 C ATOM 218 CD1 TRP A 28 -8.301 24.371 17.761 1.00 12.38 C ATOM 219 CD2 TRP A 28 -6.515 23.623 18.887 1.00 14.85 C ATOM 220 NE1 TRP A 28 -8.553 24.527 19.103 1.00 10.88 N ATOM 221 CE2 TRP A 28 -7.472 24.080 19.817 1.00 13.00 C ATOM 222 CE3 TRP A 28 -5.298 23.110 19.363 1.00 13.21 C ATOM 223 CZ2 TRP A 28 -7.257 24.033 21.198 1.00 15.68 C ATOM 224 CZ3 TRP A 28 -5.081 23.071 20.732 1.00 15.02 C ATOM 225 CH2 TRP A 28 -6.056 23.529 21.633 1.00 16.57 C ATOM 226 N VAL A 29 -5.188 24.278 13.434 1.00 11.73 N ATOM 227 CA VAL A 29 -4.518 23.861 12.205 1.00 11.51 C ATOM 228 C VAL A 29 -3.288 24.740 11.968 1.00 12.33 C ATOM 229 O VAL A 29 -2.242 24.249 11.552 1.00 13.35 O ATOM 230 CB VAL A 29 -5.477 23.932 10.992 1.00 13.36 C ATOM 231 CG1 VAL A 29 -4.735 23.646 9.699 1.00 10.65 C ATOM 232 CG2 VAL A 29 -6.609 22.922 11.177 1.00 12.30 C ATOM 233 N CYS A 30 -3.412 26.032 12.256 1.00 11.37 N ATOM 234 CA CYS A 30 -2.305 26.966 12.099 1.00 11.06 C ATOM 235 C CYS A 30 -1.175 26.596 13.059 1.00 12.65 C ATOM 236 O CYS A 30 -0.001 26.594 12.676 1.00 12.98 O ATOM 237 CB CYS A 30 -2.783 28.391 12.384 1.00 9.80 C ATOM 238 SG CYS A 30 -1.528 29.680 12.103 1.00 14.39 S ATOM 239 N ALA A 31 -1.536 26.272 14.301 1.00 13.64 N ATOM 240 CA ALA A 31 -0.558 25.892 15.319 1.00 15.04 C ATOM 241 C ALA A 31 0.208 24.647 14.880 1.00 15.30 C ATOM 242 O ALA A 31 1.436 24.620 14.939 1.00 16.01 O ATOM 243 CB ALA A 31 -1.245 25.653 16.659 1.00 16.73 C ATOM 244 N ALA A 32 -0.521 23.633 14.413 1.00 14.10 N ATOM 245 CA ALA A 32 0.082 22.389 13.936 1.00 12.23 C ATOM 246 C ALA A 32 1.026 22.653 12.765 1.00 13.63 C ATOM 247 O ALA A 32 2.112 22.083 12.694 1.00 13.52 O ATOM 248 CB ALA A 32 -1.003 21.404 13.518 1.00 12.87 C ATOM 249 N LYS A 33 0.609 23.514 11.842 1.00 12.20 N ATOM 250 CA LYS A 33 1.431 23.848 10.678 1.00 13.85 C ATOM 251 C LYS A 33 2.796 24.370 11.086 1.00 14.73 C ATOM 252 O LYS A 33 3.822 23.868 10.650 1.00 17.24 O ATOM 253 CB LYS A 33 0.739 24.908 9.810 1.00 15.05 C ATOM 254 CG LYS A 33 1.604 25.463 8.668 1.00 17.41 C ATOM 255 CD LYS A 33 1.923 24.405 7.623 1.00 20.59 C ATOM 256 CE LYS A 33 2.882 24.940 6.575 1.00 26.70 C ATOM 257 NZ LYS A 33 3.134 23.925 5.515 1.00 33.94 N ATOM 258 N PHE A 34 2.801 25.370 11.950 1.00 15.36 N ATOM 259 CA PHE A 34 4.046 25.971 12.374 1.00 15.30 C ATOM 260 C PHE A 34 4.789 25.246 13.478 1.00 14.77 C ATOM 261 O PHE A 34 5.978 25.475 13.670 1.00 18.25 O ATOM 262 CB PHE A 34 3.829 27.449 12.695 1.00 12.98 C ATOM 263 CG PHE A 34 3.401 28.252 11.497 1.00 15.23 C ATOM 264 CD1 PHE A 34 4.157 28.228 10.326 1.00 15.59 C ATOM 265 CD2 PHE A 34 2.228 28.996 11.522 1.00 16.13 C ATOM 266 CE1 PHE A 34 3.746 28.933 9.193 1.00 17.66 C ATOM 267 CE2 PHE A 34 1.807 29.703 10.393 1.00 16.22 C ATOM 268 CZ PHE A 34 2.568 29.671 9.229 1.00 17.17 C ATOM 269 N GLU A 35 4.110 24.377 14.210 1.00 11.92 N ATOM 270 CA GLU A 35 4.794 23.642 15.262 1.00 11.72 C ATOM 271 C GLU A 35 5.509 22.404 14.707 1.00 14.69 C ATOM 272 O GLU A 35 6.660 22.157 15.050 1.00 14.17 O ATOM 273 CB GLU A 35 3.824 23.242 16.379 1.00 11.17 C ATOM 274 CG GLU A 35 3.361 24.390 17.284 1.00 12.77 C ATOM 275 CD GLU A 35 4.438 24.906 18.240 1.00 16.45 C ATOM 276 OE1 GLU A 35 5.524 24.294 18.325 1.00 16.73 O ATOM 277 OE2 GLU A 35 4.190 25.924 18.918 1.00 18.23 O ATOM 278 N SER A 36 4.870 21.686 13.785 1.00 13.79 N ATOM 279 CA SER A 36 5.455 20.463 13.243 1.00 12.50 C ATOM 280 C SER A 36 5.386 20.268 11.733 1.00 13.44 C ATOM 281 O SER A 36 5.790 19.212 11.233 1.00 12.47 O ATOM 282 CB SER A 36 4.735 19.286 13.875 1.00 14.17 C ATOM 283 OG SER A 36 3.383 19.266 13.432 1.00 15.15 O ATOM 284 N ASN A 37 4.824 21.236 11.014 1.00 12.42 N ATOM 285 CA ASN A 37 4.653 21.148 9.564 1.00 13.56 C ATOM 286 C ASN A 37 3.762 19.939 9.235 1.00 12.66 C ATOM 287 O ASN A 37 3.968 19.245 8.244 1.00 14.06 O ATOM 288 CB ASN A 37 6.010 21.060 8.849 1.00 16.61 C ATOM 289 CG ASN A 37 5.919 21.426 7.382 1.00 20.61 C ATOM 290 OD1 ASN A 37 5.148 22.303 6.995 1.00 28.27 O ATOM 291 ND2 ASN A 37 6.712 20.763 6.556 1.00 29.13 N ATOM 292 N PHE A 38 2.785 19.696 10.112 1.00 12.25 N ATOM 293 CA PHE A 38 1.804 18.613 9.987 1.00 13.28 C ATOM 294 C PHE A 38 2.383 17.186 10.113 1.00 15.11 C ATOM 295 O PHE A 38 1.725 16.212 9.742 1.00 14.13 O ATOM 296 CB PHE A 38 1.035 18.737 8.663 1.00 13.40 C ATOM 297 CG PHE A 38 0.281 20.035 8.499 1.00 12.95 C ATOM 298 CD1 PHE A 38 -0.331 20.649 9.584 1.00 12.17 C ATOM 299 CD2 PHE A 38 0.158 20.625 7.244 1.00 13.11 C ATOM 300 CE1 PHE A 38 -1.058 21.829 9.423 1.00 13.50 C ATOM 301 CE2 PHE A 38 -0.566 21.803 7.075 1.00 15.78 C ATOM 302 CZ PHE A 38 -1.175 22.402 8.166 1.00 12.80 C ATOM 303 N ASN A 39 3.579 17.067 10.687 1.00 13.44 N ATOM 304 CA ASN A 39 4.248 15.773 10.847 1.00 13.43 C ATOM 305 C ASN A 39 4.119 15.233 12.279 1.00 13.02 C ATOM 306 O ASN A 39 4.630 15.826 13.226 1.00 13.09 O ATOM 307 CB ASN A 39 5.726 15.932 10.458 1.00 13.51 C ATOM 308 CG ASN A 39 6.495 14.625 10.457 1.00 16.22 C ATOM 309 OD1 ASN A 39 5.939 13.540 10.662 1.00 14.97 O ATOM 310 ND2 ASN A 39 7.791 14.725 10.209 1.00 15.82 N ATOM 311 N THR A 40 3.442 14.098 12.429 1.00 12.39 N ATOM 312 CA THR A 40 3.251 13.486 13.743 1.00 12.67 C ATOM 313 C THR A 40 4.545 13.012 14.408 1.00 12.83 C ATOM 314 O THR A 40 4.595 12.869 15.627 1.00 14.29 O ATOM 315 CB THR A 40 2.303 12.273 13.661 1.00 14.40 C ATOM 316 OG1 THR A 40 2.835 11.325 12.724 1.00 18.01 O ATOM 317 CG2 THR A 40 0.901 12.698 13.204 1.00 13.71 C ATOM 318 N GLN A 41 5.588 12.777 13.614 1.00 12.68 N ATOM 319 CA GLN A 41 6.856 12.276 14.146 1.00 12.48 C ATOM 320 C GLN A 41 7.884 13.327 14.537 1.00 14.21 C ATOM 321 O GLN A 41 9.008 12.992 14.914 1.00 15.25 O ATOM 322 CB GLN A 41 7.489 11.309 13.155 1.00 12.02 C ATOM 323 CG GLN A 41 6.655 10.072 12.878 1.00 15.51 C ATOM 324 CD GLN A 41 7.445 8.994 12.160 1.00 17.74 C ATOM 325 OE1 GLN A 41 8.310 8.346 12.754 1.00 18.47 O ATOM 326 NE2 GLN A 41 7.167 8.808 10.882 1.00 15.68 N ATOM 327 N ALA A 42 7.508 14.595 14.450 1.00 13.23 N ATOM 328 CA ALA A 42 8.427 15.674 14.798 1.00 15.22 C ATOM 329 C ALA A 42 8.817 15.721 16.277 1.00 11.44 C ATOM 330 O ALA A 42 7.975 15.582 17.173 1.00 10.90 O ATOM 331 CB ALA A 42 7.847 17.023 14.361 1.00 12.79 C ATOM 332 N THR A 43 10.109 15.883 16.525 1.00 11.73 N ATOM 333 CA THR A 43 10.633 16.000 17.878 1.00 12.47 C ATOM 334 C THR A 43 11.663 17.115 17.821 1.00 13.00 C ATOM 335 O THR A 43 12.297 17.320 16.786 1.00 16.33 O ATOM 336 CB THR A 43 11.333 14.701 18.362 1.00 12.47 C ATOM 337 OG1 THR A 43 12.382 14.346 17.454 1.00 15.36 O ATOM 338 CG2 THR A 43 10.341 13.548 18.480 1.00 13.10 C ATOM 339 N ASN A 44 11.789 17.873 18.901 1.00 14.61 N ATOM 340 CA ASN A 44 12.774 18.951 18.971 1.00 17.45 C ATOM 341 C ASN A 44 13.276 19.080 20.380 1.00 16.88 C ATOM 342 O ASN A 44 12.489 19.105 21.325 1.00 17.40 O ATOM 343 CB ASN A 44 12.200 20.289 18.509 1.00 22.26 C ATOM 344 CG ASN A 44 12.277 20.459 17.006 1.00 32.51 C ATOM 345 OD1 ASN A 44 11.297 20.248 16.297 1.00 37.15 O ATOM 346 ND2 ASN A 44 13.448 20.837 16.512 1.00 34.14 N ATOM 347 N ARG A 45 14.595 19.146 20.511 1.00 17.24 N ATOM 348 CA ARG A 45 15.248 19.252 21.807 1.00 18.69 C ATOM 349 C ARG A 45 15.373 20.711 22.218 1.00 21.30 C ATOM 350 O ARG A 45 15.757 21.563 21.407 1.00 23.15 O ATOM 351 CB ARG A 45 16.647 18.637 21.725 1.00 21.78 C ATOM 352 CG ARG A 45 17.265 18.308 23.061 1.00 25.64 C ATOM 353 CD ARG A 45 16.612 17.072 23.631 1.00 31.22 C ATOM 354 NE ARG A 45 17.026 16.791 25.002 1.00 39.96 N ATOM 355 CZ ARG A 45 17.995 15.943 25.339 1.00 41.39 C ATOM 356 NH1 ARG A 45 18.675 15.291 24.401 1.00 44.83 N ATOM 357 NH2 ARG A 45 18.238 15.696 26.619 1.00 36.05 N ATOM 358 N ASN A 46 15.058 20.998 23.475 1.00 19.38 N ATOM 359 CA ASN A 46 15.164 22.359 23.984 1.00 23.03 C ATOM 360 C ASN A 46 16.437 22.491 24.805 1.00 22.87 C ATOM 361 O ASN A 46 16.981 21.493 25.269 1.00 23.02 O ATOM 362 CB ASN A 46 13.948 22.710 24.839 1.00 23.93 C ATOM 363 CG ASN A 46 12.655 22.647 24.060 1.00 23.77 C ATOM 364 OD1 ASN A 46 11.755 21.885 24.397 1.00 26.63 O ATOM 365 ND2 ASN A 46 12.548 23.461 23.018 1.00 31.47 N ATOM 366 N THR A 47 16.897 23.724 24.992 1.00 25.58 N ATOM 367 CA THR A 47 18.117 23.996 25.754 1.00 26.72 C ATOM 368 C THR A 47 18.077 23.469 27.187 1.00 26.07 C ATOM 369 O THR A 47 19.105 23.081 27.737 1.00 27.71 O ATOM 370 CB THR A 47 18.435 25.509 25.781 1.00 29.89 C ATOM 371 OG1 THR A 47 17.260 26.238 26.167 1.00 35.57 O ATOM 372 CG2 THR A 47 18.902 25.980 24.405 1.00 29.30 C ATOM 373 N ASP A 48 16.891 23.430 27.786 1.00 26.66 N ATOM 374 CA ASP A 48 16.758 22.934 29.155 1.00 25.52 C ATOM 375 C ASP A 48 16.772 21.408 29.279 1.00 25.42 C ATOM 376 O ASP A 48 16.568 20.880 30.370 1.00 26.64 O ATOM 377 CB ASP A 48 15.496 23.500 29.827 1.00 25.98 C ATOM 378 CG ASP A 48 14.199 22.944 29.241 1.00 25.96 C ATOM 379 OD1 ASP A 48 14.197 22.476 28.086 1.00 30.32 O ATOM 380 OD2 ASP A 48 13.168 22.990 29.937 1.00 25.38 O ATOM 381 N GLY A 49 16.974 20.702 28.169 1.00 24.48 N ATOM 382 CA GLY A 49 17.002 19.248 28.208 1.00 22.07 C ATOM 383 C GLY A 49 15.697 18.533 27.876 1.00 24.12 C ATOM 384 O GLY A 49 15.706 17.329 27.599 1.00 24.69 O ATOM 385 N SER A 50 14.569 19.237 27.951 1.00 19.36 N ATOM 386 CA SER A 50 13.286 18.622 27.626 1.00 18.38 C ATOM 387 C SER A 50 13.115 18.538 26.108 1.00 15.99 C ATOM 388 O SER A 50 13.850 19.188 25.365 1.00 17.33 O ATOM 389 CB SER A 50 12.134 19.398 28.256 1.00 18.03 C ATOM 390 OG SER A 50 12.031 20.690 27.693 1.00 18.21 O ATOM 391 N THR A 51 12.154 17.741 25.653 1.00 13.52 N ATOM 392 CA THR A 51 11.919 17.569 24.224 1.00 10.69 C ATOM 393 C THR A 51 10.447 17.782 23.903 1.00 10.91 C ATOM 394 O THR A 51 9.584 17.505 24.745 1.00 12.33 O ATOM 395 CB THR A 51 12.356 16.151 23.793 1.00 14.36 C ATOM 396 OG1 THR A 51 13.744 15.978 24.109 1.00 13.27 O ATOM 397 CG2 THR A 51 12.142 15.926 22.294 1.00 9.43 C ATOM 398 N ASP A 52 10.175 18.352 22.729 1.00 9.95 N ATOM 399 CA ASP A 52 8.813 18.603 22.241 1.00 11.72 C ATOM 400 C ASP A 52 8.443 17.461 21.282 1.00 11.70 C ATOM 401 O ASP A 52 9.234 17.111 20.399 1.00 12.64 O ATOM 402 CB ASP A 52 8.745 19.943 21.506 1.00 12.97 C ATOM 403 CG ASP A 52 8.965 21.137 22.425 1.00 16.55 C ATOM 404 OD1 ASP A 52 8.755 21.017 23.648 1.00 18.94 O ATOM 405 OD2 ASP A 52 9.343 22.210 21.917 1.00 25.48 O ATOM 406 N TYR A 53 7.241 16.907 21.434 1.00 12.22 N ATOM 407 CA TYR A 53 6.817 15.776 20.619 1.00 11.43 C ATOM 408 C TYR A 53 5.524 15.925 19.844 1.00 13.78 C ATOM 409 O TYR A 53 4.527 16.446 20.349 1.00 13.52 O ATOM 410 CB TYR A 53 6.631 14.532 21.496 1.00 11.18 C ATOM 411 CG TYR A 53 7.870 14.065 22.196 1.00 11.13 C ATOM 412 CD1 TYR A 53 8.298 14.677 23.373 1.00 11.43 C ATOM 413 CD2 TYR A 53 8.628 13.013 21.683 1.00 12.02 C ATOM 414 CE1 TYR A 53 9.453 14.258 24.019 1.00 13.28 C ATOM 415 CE2 TYR A 53 9.782 12.586 22.321 1.00 11.63 C ATOM 416 CZ TYR A 53 10.188 13.214 23.487 1.00 12.81 C ATOM 417 OH TYR A 53 11.339 12.811 24.103 1.00 16.75 O ATOM 418 N GLY A 54 5.541 15.396 18.631 1.00 12.52 N ATOM 419 CA GLY A 54 4.361 15.369 17.797 1.00 11.32 C ATOM 420 C GLY A 54 3.863 16.596 17.080 1.00 10.04 C ATOM 421 O GLY A 54 4.478 17.660 17.078 1.00 11.51 O ATOM 422 N ILE A 55 2.697 16.400 16.486 1.00 12.89 N ATOM 423 CA ILE A 55 1.969 17.376 15.704 1.00 13.89 C ATOM 424 C ILE A 55 1.823 18.727 16.414 1.00 13.85 C ATOM 425 O ILE A 55 1.924 19.777 15.780 1.00 14.06 O ATOM 426 CB ILE A 55 0.579 16.783 15.321 1.00 16.73 C ATOM 427 CG1 ILE A 55 -0.082 17.591 14.216 1.00 23.58 C ATOM 428 CG2 ILE A 55 -0.309 16.634 16.543 1.00 19.40 C ATOM 429 CD1 ILE A 55 0.294 17.114 12.844 1.00 22.45 C ATOM 430 N LEU A 56 1.611 18.703 17.727 1.00 14.62 N ATOM 431 CA LEU A 56 1.460 19.947 18.471 1.00 14.34 C ATOM 432 C LEU A 56 2.659 20.256 19.367 1.00 15.88 C ATOM 433 O LEU A 56 2.585 21.130 20.229 1.00 15.22 O ATOM 434 CB LEU A 56 0.147 19.965 19.262 1.00 16.66 C ATOM 435 CG LEU A 56 -1.112 20.175 18.406 1.00 14.81 C ATOM 436 CD1 LEU A 56 -2.363 19.922 19.223 1.00 15.25 C ATOM 437 CD2 LEU A 56 -1.123 21.583 17.839 1.00 16.30 C ATOM 438 N GLN A 57 3.759 19.531 19.161 1.00 14.08 N ATOM 439 CA GLN A 57 4.992 19.747 19.909 1.00 12.47 C ATOM 440 C GLN A 57 4.809 19.915 21.417 1.00 14.15 C ATOM 441 O GLN A 57 5.239 20.919 22.008 1.00 15.09 O ATOM 442 CB GLN A 57 5.719 20.964 19.322 1.00 12.78 C ATOM 443 CG GLN A 57 6.289 20.723 17.945 1.00 13.73 C ATOM 444 CD GLN A 57 7.460 19.768 17.980 1.00 10.96 C ATOM 445 OE1 GLN A 57 8.591 20.171 18.232 1.00 14.11 O ATOM 446 NE2 GLN A 57 7.187 18.486 17.763 1.00 12.94 N ATOM 447 N ILE A 58 4.194 18.916 22.037 1.00 13.22 N ATOM 448 CA ILE A 58 3.938 18.918 23.469 1.00 14.61 C ATOM 449 C ILE A 58 5.245 18.635 24.222 1.00 16.18 C ATOM 450 O ILE A 58 6.016 17.750 23.843 1.00 15.07 O ATOM 451 CB ILE A 58 2.818 17.919 23.796 1.00 17.20 C ATOM 452 CG1 ILE A 58 1.503 18.424 23.176 1.00 13.48 C ATOM 453 CG2 ILE A 58 2.691 17.711 25.303 1.00 16.38 C ATOM 454 CD1 ILE A 58 0.352 17.463 23.285 1.00 15.83 C ATOM 455 N ASN A 59 5.481 19.412 25.275 1.00 16.49 N ATOM 456 CA ASN A 59 6.710 19.353 26.063 1.00 17.24 C ATOM 457 C ASN A 59 6.794 18.275 27.157 1.00 15.56 C ATOM 458 O ASN A 59 5.858 18.090 27.934 1.00 15.89 O ATOM 459 CB ASN A 59 6.975 20.748 26.656 1.00 17.95 C ATOM 460 CG ASN A 59 8.328 20.849 27.326 1.00 21.89 C ATOM 461 OD1 ASN A 59 8.436 20.704 28.537 1.00 25.81 O ATOM 462 ND2 ASN A 59 9.367 21.077 26.542 1.00 21.31 N ATOM 463 N SER A 60 7.955 17.626 27.251 1.00 15.11 N ATOM 464 CA SER A 60 8.215 16.562 28.229 1.00 16.51 C ATOM 465 C SER A 60 8.448 17.013 29.681 1.00 17.55 C ATOM 466 O SER A 60 8.405 16.193 30.604 1.00 18.73 O ATOM 467 CB SER A 60 9.402 15.714 27.764 1.00 16.82 C ATOM 468 OG SER A 60 10.594 16.485 27.751 1.00 15.29 O ATOM 469 N ARG A 61 8.739 18.295 29.883 1.00 19.27 N ATOM 470 CA ARG A 61 8.957 18.829 31.232 1.00 23.14 C ATOM 471 C ARG A 61 7.673 18.808 32.071 1.00 22.27 C ATOM 472 O ARG A 61 7.720 18.585 33.283 1.00 21.62 O ATOM 473 CB ARG A 61 9.496 20.266 31.157 1.00 26.61 C ATOM 474 CG ARG A 61 9.523 21.020 32.484 1.00 40.11 C ATOM 475 CD ARG A 61 10.669 20.570 33.376 1.00 54.52 C ATOM 476 NE ARG A 61 11.968 20.987 32.844 1.00 62.05 N ATOM 477 CZ ARG A 61 13.127 20.392 33.121 1.00 65.22 C ATOM 478 NH1 ARG A 61 13.173 19.341 33.933 1.00 68.39 N ATOM 479 NH2 ARG A 61 14.245 20.842 32.567 1.00 63.38 N ATOM 480 N TRP A 62 6.530 19.003 31.419 1.00 22.49 N ATOM 481 CA TRP A 62 5.253 19.044 32.124 1.00 20.42 C ATOM 482 C TRP A 62 4.190 18.059 31.696 1.00 19.09 C ATOM 483 O TRP A 62 3.391 17.615 32.518 1.00 20.59 O ATOM 484 CB TRP A 62 4.611 20.428 31.953 1.00 23.95 C ATOM 485 CG TRP A 62 5.426 21.567 32.423 1.00 31.22 C ATOM 486 CD1 TRP A 62 6.178 22.404 31.657 1.00 32.65 C ATOM 487 CD2 TRP A 62 5.561 22.018 33.773 1.00 36.01 C ATOM 488 NE1 TRP A 62 6.777 23.351 32.448 1.00 39.24 N ATOM 489 CE2 TRP A 62 6.419 23.135 33.752 1.00 40.52 C ATOM 490 CE3 TRP A 62 5.045 21.581 35.000 1.00 43.26 C ATOM 491 CZ2 TRP A 62 6.766 23.836 34.915 1.00 46.02 C ATOM 492 CZ3 TRP A 62 5.391 22.275 36.158 1.00 47.61 C ATOM 493 CH2 TRP A 62 6.247 23.388 36.104 1.00 49.67 C ATOM 494 N TRP A 63 4.178 17.702 30.419 1.00 17.52 N ATOM 495 CA TRP A 63 3.087 16.886 29.909 1.00 14.83 C ATOM 496 C TRP A 63 3.199 15.403 29.649 1.00 14.53 C ATOM 497 O TRP A 63 2.210 14.694 29.751 1.00 17.09 O ATOM 498 CB TRP A 63 2.502 17.597 28.689 1.00 13.98 C ATOM 499 CG TRP A 63 2.344 19.079 28.922 1.00 14.01 C ATOM 500 CD1 TRP A 63 3.188 20.065 28.502 1.00 18.23 C ATOM 501 CD2 TRP A 63 1.318 19.728 29.690 1.00 15.40 C ATOM 502 NE1 TRP A 63 2.763 21.285 28.970 1.00 19.19 N ATOM 503 CE2 TRP A 63 1.616 21.110 29.702 1.00 18.73 C ATOM 504 CE3 TRP A 63 0.177 19.278 30.375 1.00 16.95 C ATOM 505 CZ2 TRP A 63 0.816 22.053 30.372 1.00 18.47 C ATOM 506 CZ3 TRP A 63 -0.622 20.221 31.042 1.00 16.51 C ATOM 507 CH2 TRP A 63 -0.292 21.591 31.033 1.00 13.82 C ATOM 508 N CYS A 64 4.378 14.920 29.308 1.00 15.18 N ATOM 509 CA CYS A 64 4.529 13.503 29.022 1.00 15.56 C ATOM 510 C CYS A 64 5.852 13.016 29.572 1.00 15.50 C ATOM 511 O CYS A 64 6.734 13.818 29.876 1.00 17.04 O ATOM 512 CB CYS A 64 4.438 13.247 27.511 1.00 15.33 C ATOM 513 SG CYS A 64 5.715 14.085 26.507 1.00 16.09 S ATOM 514 N ASN A 65 5.979 11.706 29.728 1.00 15.21 N ATOM 515 CA ASN A 65 7.199 11.122 30.254 1.00 17.56 C ATOM 516 C ASN A 65 8.036 10.493 29.141 1.00 16.64 C ATOM 517 O ASN A 65 7.526 9.664 28.381 1.00 15.95 O ATOM 518 CB ASN A 65 6.845 10.052 31.299 1.00 21.66 C ATOM 519 CG ASN A 65 8.074 9.360 31.877 1.00 27.70 C ATOM 520 OD1 ASN A 65 9.170 9.913 31.884 1.00 34.73 O ATOM 521 ND2 ASN A 65 7.890 8.140 32.360 1.00 38.22 N ATOM 522 N ASP A 66 9.294 10.923 29.012 1.00 15.49 N ATOM 523 CA ASP A 66 10.195 10.353 28.006 1.00 15.14 C ATOM 524 C ASP A 66 11.411 9.679 28.645 1.00 16.31 C ATOM 525 O ASP A 66 12.378 9.353 27.962 1.00 18.10 O ATOM 526 CB ASP A 66 10.622 11.373 26.936 1.00 13.00 C ATOM 527 CG ASP A 66 11.466 12.515 27.483 1.00 13.23 C ATOM 528 OD1 ASP A 66 11.763 12.552 28.690 1.00 14.88 O ATOM 529 OD2 ASP A 66 11.838 13.398 26.681 1.00 14.47 O ATOM 530 N GLY A 67 11.373 9.534 29.966 1.00 18.10 N ATOM 531 CA GLY A 67 12.448 8.886 30.696 1.00 18.33 C ATOM 532 C GLY A 67 13.790 9.590 30.741 1.00 21.92 C ATOM 533 O GLY A 67 14.747 9.038 31.295 1.00 24.98 O ATOM 534 N ARG A 68 13.886 10.797 30.182 1.00 20.04 N ATOM 535 CA ARG A 68 15.153 11.519 30.198 1.00 20.73 C ATOM 536 C ARG A 68 15.058 12.996 30.576 1.00 22.88 C ATOM 537 O ARG A 68 15.978 13.764 30.303 1.00 24.61 O ATOM 538 CB ARG A 68 15.891 11.361 28.864 1.00 20.04 C ATOM 539 CG ARG A 68 15.237 12.039 27.682 1.00 19.55 C ATOM 540 CD ARG A 68 16.193 12.056 26.510 1.00 20.46 C ATOM 541 NE ARG A 68 15.753 12.961 25.452 1.00 24.53 N ATOM 542 CZ ARG A 68 16.271 12.985 24.226 1.00 27.18 C ATOM 543 NH1 ARG A 68 17.251 12.148 23.904 1.00 22.06 N ATOM 544 NH2 ARG A 68 15.825 13.856 23.324 1.00 20.69 N ATOM 545 N THR A 69 13.962 13.392 31.211 1.00 23.47 N ATOM 546 CA THR A 69 13.784 14.779 31.636 1.00 26.29 C ATOM 547 C THR A 69 13.598 14.716 33.164 1.00 29.72 C ATOM 548 O THR A 69 12.492 14.480 33.651 1.00 30.31 O ATOM 549 CB THR A 69 12.534 15.428 30.958 1.00 24.97 C ATOM 550 OG1 THR A 69 12.542 15.154 29.546 1.00 20.86 O ATOM 551 CG2 THR A 69 12.534 16.935 31.157 1.00 19.13 C ATOM 552 N PRO A 70 14.696 14.839 33.933 1.00 33.37 N ATOM 553 CA PRO A 70 14.622 14.782 35.399 1.00 35.54 C ATOM 554 C PRO A 70 13.721 15.829 36.045 1.00 36.22 C ATOM 555 O PRO A 70 13.679 16.981 35.616 1.00 34.58 O ATOM 556 CB PRO A 70 16.087 14.944 35.821 1.00 37.88 C ATOM 557 CG PRO A 70 16.691 15.728 34.698 1.00 38.70 C ATOM 558 CD PRO A 70 16.088 15.045 33.498 1.00 35.50 C ATOM 559 N GLY A 71 12.962 15.389 37.049 1.00 37.43 N ATOM 560 CA GLY A 71 12.073 16.283 37.774 1.00 39.22 C ATOM 561 C GLY A 71 10.857 16.758 37.006 1.00 38.69 C ATOM 562 O GLY A 71 10.166 17.682 37.438 1.00 41.67 O ATOM 563 N SER A 72 10.582 16.120 35.877 1.00 36.85 N ATOM 564 CA SER A 72 9.439 16.491 35.063 1.00 36.18 C ATOM 565 C SER A 72 8.140 15.874 35.578 1.00 35.82 C ATOM 566 O SER A 72 8.143 14.840 36.253 1.00 33.63 O ATOM 567 CB SER A 72 9.670 16.070 33.616 1.00 38.46 C ATOM 568 OG SER A 72 9.835 14.665 33.519 1.00 42.49 O ATOM 569 N ARG A 73 7.035 16.543 35.283 1.00 34.23 N ATOM 570 CA ARG A 73 5.721 16.075 35.681 1.00 35.34 C ATOM 571 C ARG A 73 5.115 15.454 34.426 1.00 35.30 C ATOM 572 O ARG A 73 5.394 15.898 33.313 1.00 39.76 O ATOM 573 CB ARG A 73 4.889 17.253 36.193 1.00 36.03 C ATOM 574 CG ARG A 73 5.565 17.988 37.348 1.00 46.00 C ATOM 575 CD ARG A 73 4.738 19.144 37.908 1.00 56.23 C ATOM 576 NE ARG A 73 3.421 18.721 38.392 1.00 63.27 N ATOM 577 CZ ARG A 73 3.212 17.871 39.397 1.00 64.88 C ATOM 578 NH1 ARG A 73 4.232 17.329 40.053 1.00 65.15 N ATOM 579 NH2 ARG A 73 1.969 17.542 39.730 1.00 63.15 N ATOM 580 N ASN A 74 4.337 14.396 34.593 1.00 31.58 N ATOM 581 CA ASN A 74 3.716 13.716 33.459 1.00 26.27 C ATOM 582 C ASN A 74 2.216 13.994 33.554 1.00 25.17 C ATOM 583 O ASN A 74 1.412 13.079 33.769 1.00 26.34 O ATOM 584 CB ASN A 74 4.021 12.215 33.566 1.00 21.49 C ATOM 585 CG ASN A 74 3.400 11.396 32.455 1.00 22.63 C ATOM 586 OD1 ASN A 74 2.973 11.920 31.431 1.00 21.18 O ATOM 587 ND2 ASN A 74 3.340 10.090 32.662 1.00 21.97 N ATOM 588 N LEU A 75 1.843 15.263 33.381 1.00 24.25 N ATOM 589 CA LEU A 75 0.447 15.693 33.509 1.00 22.26 C ATOM 590 C LEU A 75 -0.593 15.056 32.589 1.00 21.72 C ATOM 591 O LEU A 75 -1.768 14.989 32.953 1.00 22.70 O ATOM 592 CB LEU A 75 0.342 17.220 33.483 1.00 23.20 C ATOM 593 CG LEU A 75 1.055 17.946 34.632 1.00 23.02 C ATOM 594 CD1 LEU A 75 0.917 19.448 34.475 1.00 24.54 C ATOM 595 CD2 LEU A 75 0.497 17.502 35.970 1.00 26.06 C ATOM 596 N CYS A 76 -0.187 14.592 31.411 1.00 20.33 N ATOM 597 CA CYS A 76 -1.128 13.939 30.502 1.00 19.42 C ATOM 598 C CYS A 76 -1.143 12.427 30.703 1.00 20.62 C ATOM 599 O CYS A 76 -1.899 11.713 30.040 1.00 20.27 O ATOM 600 CB CYS A 76 -0.837 14.307 29.048 1.00 15.42 C ATOM 601 SG CYS A 76 -1.282 16.035 28.682 1.00 18.34 S ATOM 602 N ASN A 77 -0.310 11.958 31.634 1.00 23.41 N ATOM 603 CA ASN A 77 -0.206 10.541 31.980 1.00 26.04 C ATOM 604 C ASN A 77 0.037 9.620 30.791 1.00 24.71 C ATOM 605 O ASN A 77 -0.645 8.606 30.616 1.00 24.54 O ATOM 606 CB ASN A 77 -1.451 10.090 32.754 1.00 33.04 C ATOM 607 CG ASN A 77 -1.113 9.573 34.137 1.00 44.65 C ATOM 608 OD1 ASN A 77 -0.386 8.586 34.285 1.00 46.71 O ATOM 609 ND2 ASN A 77 -1.614 10.255 35.163 1.00 48.37 N ATOM 610 N ILE A 78 1.040 9.952 29.991 1.00 22.85 N ATOM 611 CA ILE A 78 1.355 9.159 28.814 1.00 23.61 C ATOM 612 C ILE A 78 2.830 9.270 28.456 1.00 23.72 C ATOM 613 O ILE A 78 3.511 10.231 28.846 1.00 22.18 O ATOM 614 CB ILE A 78 0.596 9.667 27.553 1.00 23.47 C ATOM 615 CG1 ILE A 78 0.842 11.168 27.371 1.00 24.70 C ATOM 616 CG2 ILE A 78 -0.877 9.306 27.608 1.00 30.37 C ATOM 617 CD1 ILE A 78 0.273 11.737 26.101 1.00 30.87 C ATOM 618 N PRO A 79 3.359 8.254 27.761 1.00 22.32 N ATOM 619 CA PRO A 79 4.763 8.267 27.343 1.00 20.93 C ATOM 620 C PRO A 79 4.784 9.242 26.166 1.00 17.54 C ATOM 621 O PRO A 79 3.838 9.262 25.366 1.00 15.24 O ATOM 622 CB PRO A 79 4.988 6.841 26.841 1.00 22.04 C ATOM 623 CG PRO A 79 3.937 6.037 27.562 1.00 25.48 C ATOM 624 CD PRO A 79 2.747 6.940 27.491 1.00 20.98 C ATOM 625 N CYS A 80 5.835 10.042 26.043 1.00 15.39 N ATOM 626 CA CYS A 80 5.909 11.000 24.944 1.00 12.95 C ATOM 627 C CYS A 80 5.821 10.335 23.565 1.00 13.21 C ATOM 628 O CYS A 80 5.327 10.947 22.609 1.00 14.05 O ATOM 629 CB CYS A 80 7.173 11.851 25.052 1.00 10.46 C ATOM 630 SG CYS A 80 7.299 12.816 26.593 1.00 15.07 S ATOM 631 N SER A 81 6.245 9.075 23.466 1.00 13.70 N ATOM 632 CA SER A 81 6.193 8.359 22.189 1.00 15.04 C ATOM 633 C SER A 81 4.767 8.189 21.659 1.00 15.50 C ATOM 634 O SER A 81 4.564 8.097 20.450 1.00 17.60 O ATOM 635 CB SER A 81 6.884 6.999 22.297 1.00 14.21 C ATOM 636 OG SER A 81 6.296 6.194 23.309 1.00 19.63 O ATOM 637 N ALA A 82 3.786 8.162 22.562 1.00 16.14 N ATOM 638 CA ALA A 82 2.380 8.024 22.177 1.00 17.29 C ATOM 639 C ALA A 82 1.939 9.227 21.342 1.00 19.01 C ATOM 640 O ALA A 82 1.003 9.135 20.546 1.00 18.91 O ATOM 641 CB ALA A 82 1.500 7.905 23.421 1.00 16.01 C ATOM 642 N LEU A 83 2.628 10.351 21.532 1.00 18.85 N ATOM 643 CA LEU A 83 2.330 11.588 20.816 1.00 18.72 C ATOM 644 C LEU A 83 2.885 11.632 19.395 1.00 18.29 C ATOM 645 O LEU A 83 2.631 12.588 18.667 1.00 19.55 O ATOM 646 CB LEU A 83 2.871 12.786 21.590 1.00 17.22 C ATOM 647 CG LEU A 83 2.352 13.001 23.017 1.00 22.66 C ATOM 648 CD1 LEU A 83 3.116 14.145 23.672 1.00 19.10 C ATOM 649 CD2 LEU A 83 0.853 13.286 23.002 1.00 17.44 C ATOM 650 N LEU A 84 3.648 10.621 19.000 1.00 16.08 N ATOM 651 CA LEU A 84 4.223 10.603 17.662 1.00 17.38 C ATOM 652 C LEU A 84 3.417 9.705 16.725 1.00 20.41 C ATOM 653 O LEU A 84 3.760 9.542 15.550 1.00 22.52 O ATOM 654 CB LEU A 84 5.678 10.134 17.730 1.00 15.77 C ATOM 655 CG LEU A 84 6.629 10.918 18.638 1.00 19.42 C ATOM 656 CD1 LEU A 84 7.993 10.281 18.594 1.00 20.66 C ATOM 657 CD2 LEU A 84 6.726 12.360 18.186 1.00 16.14 C ATOM 658 N SER A 85 2.331 9.145 17.250 1.00 20.98 N ATOM 659 CA SER A 85 1.453 8.236 16.515 1.00 19.47 C ATOM 660 C SER A 85 0.694 8.887 15.352 1.00 20.37 C ATOM 661 O SER A 85 0.442 10.095 15.358 1.00 20.91 O ATOM 662 CB SER A 85 0.456 7.624 17.506 1.00 20.26 C ATOM 663 OG SER A 85 -0.450 6.738 16.875 1.00 25.31 O ATOM 664 N SER A 86 0.318 8.076 14.361 1.00 20.81 N ATOM 665 CA SER A 86 -0.446 8.575 13.215 1.00 22.92 C ATOM 666 C SER A 86 -1.890 8.891 13.632 1.00 21.80 C ATOM 667 O SER A 86 -2.609 9.625 12.949 1.00 24.30 O ATOM 668 CB SER A 86 -0.419 7.569 12.058 1.00 25.51 C ATOM 669 OG SER A 86 -0.823 6.278 12.483 1.00 32.91 O ATOM 670 N ASP A 87 -2.312 8.308 14.750 1.00 20.22 N ATOM 671 CA ASP A 87 -3.632 8.543 15.323 1.00 20.72 C ATOM 672 C ASP A 87 -3.394 9.719 16.271 1.00 21.23 C ATOM 673 O ASP A 87 -2.646 9.592 17.243 1.00 20.99 O ATOM 674 CB ASP A 87 -4.072 7.308 16.121 1.00 25.68 C ATOM 675 CG ASP A 87 -5.446 7.469 16.775 1.00 28.81 C ATOM 676 OD1 ASP A 87 -6.070 8.545 16.667 1.00 34.66 O ATOM 677 OD2 ASP A 87 -5.909 6.499 17.408 1.00 32.07 O ATOM 678 N ILE A 88 -4.010 10.860 15.982 1.00 20.34 N ATOM 679 CA ILE A 88 -3.817 12.048 16.814 1.00 19.32 C ATOM 680 C ILE A 88 -4.577 12.116 18.134 1.00 18.60 C ATOM 681 O ILE A 88 -4.446 13.097 18.867 1.00 19.16 O ATOM 682 CB ILE A 88 -4.092 13.350 16.024 1.00 19.51 C ATOM 683 CG1 ILE A 88 -5.586 13.484 15.693 1.00 21.06 C ATOM 684 CG2 ILE A 88 -3.248 13.374 14.755 1.00 20.57 C ATOM 685 CD1 ILE A 88 -5.965 14.841 15.118 1.00 17.22 C ATOM 686 N THR A 89 -5.347 11.086 18.456 1.00 19.43 N ATOM 687 CA THR A 89 -6.122 11.080 19.695 1.00 18.35 C ATOM 688 C THR A 89 -5.341 11.515 20.944 1.00 18.25 C ATOM 689 O THR A 89 -5.753 12.441 21.640 1.00 17.03 O ATOM 690 CB THR A 89 -6.767 9.701 19.936 1.00 18.92 C ATOM 691 OG1 THR A 89 -7.573 9.354 18.802 1.00 22.00 O ATOM 692 CG2 THR A 89 -7.650 9.733 21.178 1.00 19.45 C ATOM 693 N ALA A 90 -4.205 10.877 21.208 1.00 17.28 N ATOM 694 CA ALA A 90 -3.405 11.213 22.384 1.00 16.66 C ATOM 695 C ALA A 90 -2.969 12.676 22.397 1.00 16.68 C ATOM 696 O ALA A 90 -3.020 13.337 23.441 1.00 15.14 O ATOM 697 CB ALA A 90 -2.194 10.304 22.475 1.00 17.13 C ATOM 698 N SER A 91 -2.512 13.173 21.251 1.00 15.13 N ATOM 699 CA SER A 91 -2.079 14.562 21.152 1.00 16.59 C ATOM 700 C SER A 91 -3.243 15.506 21.433 1.00 16.53 C ATOM 701 O SER A 91 -3.105 16.468 22.188 1.00 18.39 O ATOM 702 CB SER A 91 -1.488 14.845 19.770 1.00 16.12 C ATOM 703 OG SER A 91 -0.167 14.345 19.680 1.00 16.46 O ATOM 704 N VAL A 92 -4.396 15.200 20.853 1.00 15.82 N ATOM 705 CA VAL A 92 -5.587 16.011 21.033 1.00 14.90 C ATOM 706 C VAL A 92 -6.035 16.050 22.493 1.00 16.07 C ATOM 707 O VAL A 92 -6.247 17.133 23.045 1.00 16.90 O ATOM 708 CB VAL A 92 -6.728 15.517 20.126 1.00 15.95 C ATOM 709 CG1 VAL A 92 -8.031 16.242 20.461 1.00 21.40 C ATOM 710 CG2 VAL A 92 -6.355 15.769 18.681 1.00 13.47 C ATOM 711 N ASN A 93 -6.136 14.889 23.133 1.00 14.47 N ATOM 712 CA ASN A 93 -6.554 14.834 24.532 1.00 16.61 C ATOM 713 C ASN A 93 -5.619 15.629 25.427 1.00 16.45 C ATOM 714 O ASN A 93 -6.067 16.338 26.331 1.00 16.38 O ATOM 715 CB ASN A 93 -6.619 13.395 25.043 1.00 21.05 C ATOM 716 CG ASN A 93 -7.799 12.635 24.490 1.00 27.21 C ATOM 717 OD1 ASN A 93 -8.713 13.220 23.913 1.00 28.65 O ATOM 718 ND2 ASN A 93 -7.786 11.317 24.660 1.00 33.30 N ATOM 719 N CYS A 94 -4.320 15.518 25.170 1.00 16.20 N ATOM 720 CA CYS A 94 -3.332 16.238 25.965 1.00 14.79 C ATOM 721 C CYS A 94 -3.386 17.738 25.656 1.00 13.55 C ATOM 722 O CYS A 94 -3.285 18.562 26.565 1.00 14.81 O ATOM 723 CB CYS A 94 -1.930 15.665 25.722 1.00 14.94 C ATOM 724 SG CYS A 94 -0.614 16.341 26.789 1.00 17.11 S ATOM 725 N ALA A 95 -3.597 18.090 24.389 1.00 13.02 N ATOM 726 CA ALA A 95 -3.688 19.493 23.982 1.00 13.44 C ATOM 727 C ALA A 95 -4.841 20.180 24.716 1.00 15.26 C ATOM 728 O ALA A 95 -4.730 21.336 25.136 1.00 15.65 O ATOM 729 CB ALA A 95 -3.883 19.600 22.476 1.00 10.13 C ATOM 730 N LYS A 96 -5.950 19.462 24.865 1.00 16.79 N ATOM 731 CA LYS A 96 -7.121 19.986 25.561 1.00 15.79 C ATOM 732 C LYS A 96 -6.790 20.350 27.002 1.00 18.21 C ATOM 733 O LYS A 96 -7.251 21.363 27.519 1.00 20.10 O ATOM 734 CB LYS A 96 -8.263 18.968 25.529 1.00 19.33 C ATOM 735 CG LYS A 96 -8.895 18.795 24.165 1.00 15.94 C ATOM 736 CD LYS A 96 -9.997 17.757 24.188 1.00 18.77 C ATOM 737 CE LYS A 96 -10.705 17.718 22.845 1.00 22.58 C ATOM 738 NZ LYS A 96 -11.712 16.628 22.798 1.00 24.64 N ATOM 739 N LYS A 97 -5.962 19.537 27.647 1.00 19.10 N ATOM 740 CA LYS A 97 -5.575 19.808 29.030 1.00 20.01 C ATOM 741 C LYS A 97 -4.655 21.041 29.085 1.00 18.66 C ATOM 742 O LYS A 97 -4.809 21.902 29.948 1.00 18.86 O ATOM 743 CB LYS A 97 -4.903 18.577 29.655 1.00 20.86 C ATOM 744 CG LYS A 97 -4.763 18.648 31.174 1.00 34.68 C ATOM 745 CD LYS A 97 -4.324 17.315 31.798 1.00 42.81 C ATOM 746 CE LYS A 97 -5.462 16.288 31.893 1.00 46.34 C ATOM 747 NZ LYS A 97 -5.933 15.778 30.570 1.00 47.20 N ATOM 748 N ILE A 98 -3.742 21.146 28.124 1.00 16.86 N ATOM 749 CA ILE A 98 -2.813 22.277 28.048 1.00 17.30 C ATOM 750 C ILE A 98 -3.548 23.615 27.838 1.00 16.89 C ATOM 751 O ILE A 98 -3.304 24.583 28.554 1.00 15.29 O ATOM 752 CB ILE A 98 -1.773 22.086 26.892 1.00 17.74 C ATOM 753 CG1 ILE A 98 -0.922 20.838 27.137 1.00 15.92 C ATOM 754 CG2 ILE A 98 -0.874 23.310 26.755 1.00 12.93 C ATOM 755 CD1 ILE A 98 0.068 20.546 26.021 1.00 16.78 C ATOM 756 N VAL A 99 -4.458 23.661 26.872 1.00 17.44 N ATOM 757 CA VAL A 99 -5.181 24.890 26.576 1.00 20.04 C ATOM 758 C VAL A 99 -6.125 25.340 27.699 1.00 23.00 C ATOM 759 O VAL A 99 -6.463 26.520 27.782 1.00 23.33 O ATOM 760 CB VAL A 99 -5.913 24.797 25.205 1.00 18.08 C ATOM 761 CG1 VAL A 99 -7.114 23.878 25.292 1.00 16.27 C ATOM 762 CG2 VAL A 99 -6.305 26.176 24.715 1.00 16.91 C ATOM 763 N SER A 100 -6.512 24.412 28.576 1.00 23.92 N ATOM 764 CA SER A 100 -7.392 24.713 29.711 1.00 26.44 C ATOM 765 C SER A 100 -6.590 25.164 30.939 1.00 29.26 C ATOM 766 O SER A 100 -7.159 25.612 31.936 1.00 28.96 O ATOM 767 CB SER A 100 -8.204 23.472 30.096 1.00 23.44 C ATOM 768 OG SER A 100 -9.025 23.024 29.035 1.00 27.45 O ATOM 769 N ASP A 101 -5.269 25.043 30.849 1.00 34.60 N ATOM 770 CA ASP A 101 -4.352 25.384 31.934 1.00 38.28 C ATOM 771 C ASP A 101 -4.410 26.833 32.420 1.00 39.42 C ATOM 772 O ASP A 101 -4.020 27.123 33.555 1.00 41.30 O ATOM 773 CB ASP A 101 -2.920 25.028 31.516 1.00 41.04 C ATOM 774 CG ASP A 101 -1.987 24.851 32.699 1.00 46.81 C ATOM 775 OD1 ASP A 101 -2.278 24.003 33.574 1.00 48.53 O ATOM 776 OD2 ASP A 101 -0.950 25.549 32.739 1.00 50.86 O ATOM 777 N GLY A 102 -4.867 27.744 31.568 1.00 38.65 N ATOM 778 CA GLY A 102 -4.937 29.136 31.979 1.00 38.75 C ATOM 779 C GLY A 102 -4.370 30.129 30.980 1.00 38.68 C ATOM 780 O GLY A 102 -4.920 31.223 30.824 1.00 40.39 O ATOM 781 N ASN A 103 -3.290 29.758 30.292 1.00 35.37 N ATOM 782 CA ASN A 103 -2.663 30.635 29.302 1.00 30.14 C ATOM 783 C ASN A 103 -3.244 30.438 27.914 1.00 24.20 C ATOM 784 O ASN A 103 -2.808 31.075 26.956 1.00 22.58 O ATOM 785 CB ASN A 103 -1.154 30.416 29.269 1.00 37.25 C ATOM 786 CG ASN A 103 -0.499 30.774 30.579 1.00 48.66 C ATOM 787 OD1 ASN A 103 -0.094 31.918 30.791 1.00 56.61 O ATOM 788 ND2 ASN A 103 -0.405 29.802 31.480 1.00 53.62 N ATOM 789 N GLY A 104 -4.227 29.556 27.802 1.00 19.69 N ATOM 790 CA GLY A 104 -4.843 29.306 26.514 1.00 18.30 C ATOM 791 C GLY A 104 -3.825 28.772 25.528 1.00 15.51 C ATOM 792 O GLY A 104 -2.885 28.072 25.911 1.00 15.26 O ATOM 793 N MET A 105 -3.970 29.153 24.264 1.00 14.33 N ATOM 794 CA MET A 105 -3.058 28.679 23.229 1.00 15.22 C ATOM 795 C MET A 105 -1.700 29.377 23.229 1.00 15.70 C ATOM 796 O MET A 105 -0.824 29.037 22.433 1.00 14.39 O ATOM 797 CB MET A 105 -3.717 28.757 21.854 1.00 11.38 C ATOM 798 CG MET A 105 -4.784 27.704 21.634 1.00 10.39 C ATOM 799 SD MET A 105 -5.210 27.526 19.894 1.00 16.33 S ATOM 800 CE MET A 105 -3.724 26.642 19.302 1.00 13.67 C ATOM 801 N ASN A 106 -1.525 30.337 24.136 1.00 16.22 N ATOM 802 CA ASN A 106 -0.255 31.058 24.259 1.00 15.72 C ATOM 803 C ASN A 106 0.838 30.084 24.695 1.00 15.00 C ATOM 804 O ASN A 106 2.020 30.384 24.589 1.00 15.96 O ATOM 805 CB ASN A 106 -0.373 32.221 25.253 1.00 13.54 C ATOM 806 CG ASN A 106 -1.216 33.363 24.716 1.00 14.86 C ATOM 807 OD1 ASN A 106 -0.928 33.925 23.655 1.00 15.88 O ATOM 808 ND2 ASN A 106 -2.275 33.700 25.435 1.00 16.93 N ATOM 809 N ALA A 107 0.426 28.917 25.186 1.00 13.98 N ATOM 810 CA ALA A 107 1.351 27.871 25.603 1.00 14.51 C ATOM 811 C ALA A 107 2.185 27.407 24.395 1.00 17.04 C ATOM 812 O ALA A 107 3.283 26.866 24.559 1.00 19.73 O ATOM 813 CB ALA A 107 0.577 26.703 26.195 1.00 17.64 C ATOM 814 N TRP A 108 1.650 27.603 23.190 1.00 14.77 N ATOM 815 CA TRP A 108 2.341 27.239 21.959 1.00 16.35 C ATOM 816 C TRP A 108 2.975 28.488 21.350 1.00 16.85 C ATOM 817 O TRP A 108 2.283 29.322 20.747 1.00 15.51 O ATOM 818 CB TRP A 108 1.373 26.598 20.953 1.00 13.60 C ATOM 819 CG TRP A 108 1.010 25.197 21.302 1.00 13.23 C ATOM 820 CD1 TRP A 108 1.737 24.069 21.031 1.00 15.76 C ATOM 821 CD2 TRP A 108 -0.173 24.761 21.976 1.00 15.33 C ATOM 822 NE1 TRP A 108 1.071 22.960 21.493 1.00 16.21 N ATOM 823 CE2 TRP A 108 -0.102 23.353 22.080 1.00 12.37 C ATOM 824 CE3 TRP A 108 -1.291 25.421 22.503 1.00 15.77 C ATOM 825 CZ2 TRP A 108 -1.102 22.592 22.687 1.00 12.66 C ATOM 826 CZ3 TRP A 108 -2.288 24.664 23.112 1.00 18.98 C ATOM 827 CH2 TRP A 108 -2.182 23.261 23.199 1.00 13.26 C ATOM 828 N VAL A 109 4.296 28.591 21.491 1.00 17.38 N ATOM 829 CA VAL A 109 5.066 29.728 20.982 1.00 16.46 C ATOM 830 C VAL A 109 4.813 30.048 19.508 1.00 14.76 C ATOM 831 O VAL A 109 4.643 31.215 19.144 1.00 16.05 O ATOM 832 CB VAL A 109 6.588 29.541 21.212 1.00 18.35 C ATOM 833 CG1 VAL A 109 7.356 30.764 20.722 1.00 20.84 C ATOM 834 CG2 VAL A 109 6.877 29.317 22.689 1.00 23.62 C ATOM 835 N ALA A 110 4.789 29.027 18.657 1.00 14.16 N ATOM 836 CA ALA A 110 4.554 29.265 17.237 1.00 14.50 C ATOM 837 C ALA A 110 3.167 29.870 17.009 1.00 15.66 C ATOM 838 O ALA A 110 3.002 30.720 16.131 1.00 14.87 O ATOM 839 CB ALA A 110 4.716 27.982 16.440 1.00 14.37 C ATOM 840 N TRP A 111 2.177 29.454 17.804 1.00 13.89 N ATOM 841 CA TRP A 111 0.822 29.986 17.667 1.00 11.88 C ATOM 842 C TRP A 111 0.831 31.466 18.045 1.00 13.95 C ATOM 843 O TRP A 111 0.284 32.308 17.323 1.00 13.28 O ATOM 844 CB TRP A 111 -0.179 29.255 18.573 1.00 11.85 C ATOM 845 CG TRP A 111 -1.568 29.856 18.476 1.00 11.58 C ATOM 846 CD1 TRP A 111 -2.477 29.661 17.469 1.00 15.51 C ATOM 847 CD2 TRP A 111 -2.153 30.829 19.354 1.00 11.95 C ATOM 848 NE1 TRP A 111 -3.577 30.461 17.659 1.00 10.87 N ATOM 849 CE2 TRP A 111 -3.409 31.184 18.809 1.00 10.73 C ATOM 850 CE3 TRP A 111 -1.737 31.439 20.547 1.00 10.19 C ATOM 851 CZ2 TRP A 111 -4.253 32.127 19.417 1.00 13.09 C ATOM 852 CZ3 TRP A 111 -2.580 32.377 21.154 1.00 14.46 C ATOM 853 CH2 TRP A 111 -3.824 32.710 20.585 1.00 11.02 C ATOM 854 N ARG A 112 1.434 31.771 19.187 1.00 13.29 N ATOM 855 CA ARG A 112 1.513 33.139 19.675 1.00 16.15 C ATOM 856 C ARG A 112 2.190 34.076 18.665 1.00 16.46 C ATOM 857 O ARG A 112 1.683 35.157 18.370 1.00 16.21 O ATOM 858 CB ARG A 112 2.291 33.163 20.987 1.00 17.89 C ATOM 859 CG ARG A 112 2.053 34.403 21.817 1.00 31.12 C ATOM 860 CD ARG A 112 3.118 34.573 22.889 1.00 37.18 C ATOM 861 NE ARG A 112 3.424 33.318 23.570 1.00 46.55 N ATOM 862 CZ ARG A 112 4.641 32.788 23.652 1.00 49.15 C ATOM 863 NH1 ARG A 112 5.678 33.402 23.091 1.00 51.99 N ATOM 864 NH2 ARG A 112 4.824 31.642 24.292 1.00 50.07 N ATOM 865 N ASN A 113 3.309 33.632 18.105 1.00 15.40 N ATOM 866 CA ASN A 113 4.066 34.450 17.166 1.00 14.24 C ATOM 867 C ASN A 113 3.644 34.432 15.713 1.00 15.53 C ATOM 868 O ASN A 113 3.936 35.378 14.985 1.00 16.45 O ATOM 869 CB ASN A 113 5.557 34.099 17.228 1.00 16.15 C ATOM 870 CG ASN A 113 6.186 34.456 18.556 1.00 17.77 C ATOM 871 OD1 ASN A 113 5.860 35.479 19.156 1.00 21.24 O ATOM 872 ND2 ASN A 113 7.098 33.618 19.021 1.00 17.91 N ATOM 873 N ARG A 114 2.949 33.388 15.277 1.00 14.95 N ATOM 874 CA ARG A 114 2.601 33.290 13.862 1.00 15.89 C ATOM 875 C ARG A 114 1.138 33.095 13.489 1.00 15.35 C ATOM 876 O ARG A 114 0.781 33.208 12.317 1.00 16.19 O ATOM 877 CB ARG A 114 3.453 32.189 13.235 1.00 13.69 C ATOM 878 CG ARG A 114 4.921 32.315 13.606 1.00 16.62 C ATOM 879 CD ARG A 114 5.749 31.195 13.071 1.00 17.53 C ATOM 880 NE ARG A 114 5.861 31.237 11.618 1.00 20.18 N ATOM 881 CZ ARG A 114 6.628 30.413 10.911 1.00 18.12 C ATOM 882 NH1 ARG A 114 7.352 29.490 11.529 1.00 17.86 N ATOM 883 NH2 ARG A 114 6.646 30.489 9.587 1.00 17.69 N ATOM 884 N CYS A 115 0.294 32.797 14.472 1.00 13.67 N ATOM 885 CA CYS A 115 -1.125 32.579 14.210 1.00 13.47 C ATOM 886 C CYS A 115 -2.007 33.617 14.882 1.00 14.19 C ATOM 887 O CYS A 115 -2.982 34.093 14.295 1.00 14.83 O ATOM 888 CB CYS A 115 -1.541 31.194 14.695 1.00 12.90 C ATOM 889 SG CYS A 115 -0.618 29.847 13.906 1.00 14.41 S ATOM 890 N LYS A 116 -1.679 33.923 16.133 1.00 14.38 N ATOM 891 CA LYS A 116 -2.425 34.882 16.931 1.00 14.66 C ATOM 892 C LYS A 116 -2.638 36.204 16.203 1.00 16.67 C ATOM 893 O LYS A 116 -1.681 36.827 15.735 1.00 15.29 O ATOM 894 CB LYS A 116 -1.699 35.127 18.256 1.00 11.10 C ATOM 895 CG LYS A 116 -2.479 35.949 19.259 1.00 11.62 C ATOM 896 CD LYS A 116 -1.721 36.043 20.572 1.00 15.60 C ATOM 897 CE LYS A 116 -2.533 36.738 21.645 1.00 17.54 C ATOM 898 NZ LYS A 116 -1.873 36.626 22.979 1.00 15.15 N ATOM 899 N GLY A 117 -3.902 36.615 16.101 1.00 19.83 N ATOM 900 CA GLY A 117 -4.237 37.872 15.450 1.00 21.14 C ATOM 901 C GLY A 117 -4.195 37.883 13.933 1.00 22.72 C ATOM 902 O GLY A 117 -4.247 38.950 13.323 1.00 25.31 O ATOM 903 N THR A 118 -4.051 36.717 13.318 1.00 21.65 N ATOM 904 CA THR A 118 -4.024 36.628 11.864 1.00 20.16 C ATOM 905 C THR A 118 -5.361 36.054 11.420 1.00 20.13 C ATOM 906 O THR A 118 -6.177 35.644 12.253 1.00 18.68 O ATOM 907 CB THR A 118 -2.871 35.708 11.364 1.00 18.24 C ATOM 908 OG1 THR A 118 -3.142 34.349 11.720 1.00 19.84 O ATOM 909 CG2 THR A 118 -1.540 36.130 11.972 1.00 18.63 C ATOM 910 N ASP A 119 -5.613 36.041 10.121 1.00 22.26 N ATOM 911 CA ASP A 119 -6.865 35.483 9.647 1.00 24.79 C ATOM 912 C ASP A 119 -6.737 33.958 9.641 1.00 25.47 C ATOM 913 O ASP A 119 -6.460 33.347 8.608 1.00 25.54 O ATOM 914 CB ASP A 119 -7.196 35.996 8.250 1.00 30.14 C ATOM 915 CG ASP A 119 -8.527 35.477 7.744 1.00 35.38 C ATOM 916 OD1 ASP A 119 -9.408 35.155 8.574 1.00 42.40 O ATOM 917 OD2 ASP A 119 -8.691 35.379 6.508 1.00 43.89 O ATOM 918 N VAL A 120 -6.935 33.351 10.805 1.00 24.67 N ATOM 919 CA VAL A 120 -6.828 31.899 10.947 1.00 23.63 C ATOM 920 C VAL A 120 -7.861 31.097 10.161 1.00 25.18 C ATOM 921 O VAL A 120 -7.686 29.896 9.931 1.00 23.13 O ATOM 922 CB VAL A 120 -6.877 31.480 12.420 1.00 19.25 C ATOM 923 CG1 VAL A 120 -5.634 31.966 13.133 1.00 23.48 C ATOM 924 CG2 VAL A 120 -8.117 32.045 13.084 1.00 20.39 C ATOM 925 N GLN A 121 -8.938 31.754 9.741 1.00 24.45 N ATOM 926 CA GLN A 121 -9.983 31.081 8.978 1.00 25.67 C ATOM 927 C GLN A 121 -9.421 30.558 7.647 1.00 22.92 C ATOM 928 O GLN A 121 -9.926 29.584 7.086 1.00 22.16 O ATOM 929 CB GLN A 121 -11.168 32.041 8.765 1.00 32.35 C ATOM 930 CG GLN A 121 -12.275 31.551 7.822 1.00 46.40 C ATOM 931 CD GLN A 121 -12.003 31.883 6.350 1.00 54.28 C ATOM 932 OE1 GLN A 121 -11.199 32.767 6.036 1.00 58.04 O ATOM 933 NE2 GLN A 121 -12.669 31.171 5.447 1.00 56.43 N ATOM 934 N ALA A 122 -8.346 31.176 7.170 1.00 21.59 N ATOM 935 CA ALA A 122 -7.721 30.764 5.918 1.00 21.10 C ATOM 936 C ALA A 122 -7.178 29.338 5.969 1.00 21.98 C ATOM 937 O ALA A 122 -7.089 28.671 4.943 1.00 20.56 O ATOM 938 CB ALA A 122 -6.613 31.734 5.534 1.00 21.98 C ATOM 939 N TRP A 123 -6.837 28.857 7.158 1.00 20.27 N ATOM 940 CA TRP A 123 -6.299 27.506 7.290 1.00 21.09 C ATOM 941 C TRP A 123 -7.296 26.377 7.005 1.00 20.85 C ATOM 942 O TRP A 123 -6.895 25.237 6.790 1.00 21.40 O ATOM 943 CB TRP A 123 -5.614 27.327 8.651 1.00 17.93 C ATOM 944 CG TRP A 123 -4.330 28.128 8.744 1.00 21.62 C ATOM 945 CD1 TRP A 123 -4.138 29.312 9.413 1.00 21.14 C ATOM 946 CD2 TRP A 123 -3.084 27.836 8.084 1.00 18.35 C ATOM 947 NE1 TRP A 123 -2.860 29.776 9.200 1.00 17.51 N ATOM 948 CE2 TRP A 123 -2.193 28.897 8.389 1.00 20.49 C ATOM 949 CE3 TRP A 123 -2.642 26.794 7.254 1.00 21.15 C ATOM 950 CZ2 TRP A 123 -0.879 28.936 7.896 1.00 20.14 C ATOM 951 CZ3 TRP A 123 -1.332 26.837 6.761 1.00 21.98 C ATOM 952 CH2 TRP A 123 -0.470 27.904 7.086 1.00 21.45 C ATOM 953 N ILE A 124 -8.588 26.695 6.985 1.00 21.48 N ATOM 954 CA ILE A 124 -9.605 25.680 6.700 1.00 23.26 C ATOM 955 C ILE A 124 -10.397 25.967 5.417 1.00 24.14 C ATOM 956 O ILE A 124 -11.382 25.287 5.120 1.00 24.77 O ATOM 957 CB ILE A 124 -10.585 25.474 7.894 1.00 23.06 C ATOM 958 CG1 ILE A 124 -11.371 26.754 8.183 1.00 20.87 C ATOM 959 CG2 ILE A 124 -9.817 25.026 9.138 1.00 22.69 C ATOM 960 CD1 ILE A 124 -12.435 26.586 9.248 1.00 26.08 C ATOM 961 N ARG A 125 -9.958 26.968 4.658 1.00 26.25 N ATOM 962 CA ARG A 125 -10.613 27.349 3.403 1.00 30.13 C ATOM 963 C ARG A 125 -10.582 26.159 2.442 1.00 28.92 C ATOM 964 O ARG A 125 -9.605 25.415 2.400 1.00 28.94 O ATOM 965 CB ARG A 125 -9.861 28.520 2.747 1.00 39.08 C ATOM 966 CG ARG A 125 -8.496 28.090 2.174 1.00 50.81 C ATOM 967 CD ARG A 125 -7.615 29.220 1.657 1.00 56.20 C ATOM 968 NE ARG A 125 -6.371 28.675 1.106 1.00 64.00 N ATOM 969 CZ ARG A 125 -5.263 28.439 1.809 1.00 65.87 C ATOM 970 NH1 ARG A 125 -5.215 28.711 3.106 1.00 68.22 N ATOM 971 NH2 ARG A 125 -4.203 27.896 1.220 1.00 67.87 N ATOM 972 N GLY A 126 -11.659 25.967 1.691 1.00 28.94 N ATOM 973 CA GLY A 126 -11.699 24.878 0.732 1.00 27.68 C ATOM 974 C GLY A 126 -11.884 23.470 1.264 1.00 28.31 C ATOM 975 O GLY A 126 -12.069 22.535 0.480 1.00 30.87 O ATOM 976 N CYS A 127 -11.846 23.298 2.580 1.00 26.99 N ATOM 977 CA CYS A 127 -12.011 21.969 3.163 1.00 26.09 C ATOM 978 C CYS A 127 -13.468 21.588 3.366 1.00 27.72 C ATOM 979 O CYS A 127 -14.287 22.406 3.792 1.00 27.62 O ATOM 980 CB CYS A 127 -11.295 21.866 4.509 1.00 20.59 C ATOM 981 SG CYS A 127 -9.552 22.366 4.483 1.00 21.77 S ATOM 982 N ARG A 128 -13.771 20.320 3.123 1.00 30.26 N ATOM 983 CA ARG A 128 -15.120 19.814 3.297 1.00 33.41 C ATOM 984 C ARG A 128 -15.199 19.329 4.742 1.00 34.69 C ATOM 985 O ARG A 128 -14.706 18.249 5.057 1.00 36.38 O ATOM 986 CB ARG A 128 -15.367 18.663 2.314 1.00 32.20 C ATOM 987 CG ARG A 128 -16.798 18.137 2.263 1.00 39.14 C ATOM 988 CD ARG A 128 -17.092 17.518 0.902 1.00 43.93 C ATOM 989 NE ARG A 128 -16.056 16.573 0.479 1.00 54.50 N ATOM 990 CZ ARG A 128 -15.645 16.408 -0.781 1.00 59.11 C ATOM 991 NH1 ARG A 128 -16.179 17.125 -1.767 1.00 60.62 N ATOM 992 NH2 ARG A 128 -14.700 15.515 -1.060 1.00 56.31 N ATOM 993 N LEU A 129 -15.711 20.178 5.629 1.00 37.61 N ATOM 994 CA LEU A 129 -15.834 19.825 7.041 1.00 40.97 C ATOM 995 C LEU A 129 -17.256 19.366 7.382 1.00 44.52 C ATOM 996 O LEU A 129 -17.767 18.500 6.641 1.00 48.50 O ATOM 997 CB LEU A 129 -15.414 20.995 7.940 1.00 37.92 C ATOM 998 CG LEU A 129 -13.927 21.252 8.213 1.00 38.82 C ATOM 999 CD1 LEU A 129 -13.114 19.989 7.989 1.00 36.49 C ATOM 1000 CD2 LEU A 129 -13.422 22.376 7.343 1.00 37.66 C ATOM 1001 OXT LEU A 129 -17.846 19.865 8.365 1.00 47.21 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -11.539 18.569 1.802 1.00 28.92 O HETATM 1004 O HOH A 131 -5.543 19.783 2.005 1.00 29.44 O HETATM 1005 O HOH A 132 1.391 18.520 4.404 1.00 43.50 O HETATM 1006 O HOH A 133 -0.473 23.497 3.814 1.00 37.43 O HETATM 1007 O HOH A 134 2.684 10.494 5.452 1.00 30.34 O HETATM 1008 O HOH A 135 4.029 19.893 4.819 1.00 43.72 O HETATM 1009 O HOH A 136 7.965 28.228 8.088 1.00 23.94 O HETATM 1010 O HOH A 137 5.761 11.246 9.543 1.00 20.09 O HETATM 1011 O HOH A 138 -2.484 32.587 9.685 1.00 28.86 O HETATM 1012 O HOH A 139 1.491 33.856 9.661 1.00 27.72 O HETATM 1013 O HOH A 140 4.315 33.164 9.797 1.00 18.10 O HETATM 1014 O HOH A 141 3.408 7.349 10.634 1.00 29.62 O HETATM 1015 O HOH A 142 8.597 17.925 10.652 1.00 31.79 O HETATM 1016 O HOH A 143 -11.296 28.921 11.964 1.00 16.21 O HETATM 1017 O HOH A 144 7.722 28.863 14.496 1.00 21.61 O HETATM 1018 O HOH A 145 11.703 13.457 14.955 1.00 15.43 O HETATM 1019 O HOH A 146 -6.935 35.761 14.871 1.00 35.51 O HETATM 1020 O HOH A 147 0.864 36.299 15.192 1.00 22.02 O HETATM 1021 O HOH A 148 -9.785 33.342 15.800 1.00 24.79 O HETATM 1022 O HOH A 149 -0.445 12.090 16.833 1.00 28.99 O HETATM 1023 O HOH A 150 1.359 13.887 16.746 1.00 30.91 O HETATM 1024 O HOH A 151 -14.861 20.082 16.731 1.00 28.50 O HETATM 1025 O HOH A 152 7.955 31.380 16.989 1.00 10.68 O HETATM 1026 O HOH A 153 -6.144 34.171 16.844 1.00 33.54 O HETATM 1027 O HOH A 154 16.569 18.746 18.384 1.00 30.16 O HETATM 1028 O HOH A 155 -1.099 11.312 19.237 1.00 19.43 O HETATM 1029 O HOH A 156 9.202 22.873 19.105 1.00 29.11 O HETATM 1030 O HOH A 157 -3.360 8.464 19.694 1.00 24.22 O HETATM 1031 O HOH A 158 1.731 16.629 19.816 1.00 13.80 O HETATM 1032 O HOH A 159 -14.662 32.101 20.355 1.00 36.15 O HETATM 1033 O HOH A 160 -0.867 6.953 20.553 1.00 27.25 O HETATM 1034 O HOH A 161 5.616 26.211 22.437 1.00 30.99 O HETATM 1035 O HOH A 162 15.061 25.731 23.356 1.00 34.15 O HETATM 1036 O HOH A 163 7.841 3.971 24.611 1.00 28.61 O HETATM 1037 O HOH A 164 19.057 10.261 25.522 1.00 24.65 O HETATM 1038 O HOH A 165 -3.548 12.043 26.082 1.00 31.86 O HETATM 1039 O HOH A 166 3.981 21.731 25.375 1.00 21.59 O HETATM 1040 O HOH A 167 13.994 15.202 26.614 1.00 16.00 O HETATM 1041 O HOH A 168 -8.555 15.393 27.481 1.00 33.19 O HETATM 1042 O HOH A 169 -2.193 27.167 28.913 1.00 32.83 O HETATM 1043 O HOH A 170 -7.098 28.829 29.280 1.00 30.56 O HETATM 1044 O HOH A 171 10.162 5.962 31.054 1.00 21.25 O HETATM 1045 O HOH A 172 9.812 13.166 30.890 1.00 25.56 O HETATM 1046 O HOH A 173 7.479 14.224 32.318 1.00 35.23 O HETATM 1047 O HOH A 174 11.731 11.746 32.666 1.00 24.06 O HETATM 1048 O HOH A 175 -14.135 27.223 3.223 1.00 43.46 O HETATM 1049 O HOH A 176 7.421 26.063 19.666 1.00 48.87 O HETATM 1050 O HOH A 177 -14.894 24.009 25.764 1.00 45.24 O HETATM 1051 O HOH A 178 -6.351 10.528 13.946 1.00 36.11 O HETATM 1052 O HOH A 179 14.679 7.306 33.689 1.00 37.11 O HETATM 1053 O HOH A 180 -5.786 17.313 2.936 1.00 21.59 O HETATM 1054 O HOH A 181 4.197 6.070 18.453 1.00 35.33 O HETATM 1055 O HOH A 182 -10.257 27.944 30.284 1.00 44.65 O HETATM 1056 O HOH A 183 -4.044 33.809 7.554 1.00 33.30 O HETATM 1057 O HOH A 184 -14.186 27.434 12.123 1.00 49.85 O HETATM 1058 O HOH A 185 9.043 23.987 15.723 1.00 44.78 O HETATM 1059 O HOH A 186 7.813 26.558 16.040 1.00 61.33 O HETATM 1060 O HOH A 187 5.351 23.537 23.095 1.00 50.04 O HETATM 1061 O HOH A 188 2.861 23.896 24.156 1.00 44.05 O HETATM 1062 O HOH A 189 1.350 11.507 36.225 1.00 35.31 O HETATM 1063 O HOH A 190 7.224 22.118 3.839 1.00 47.34 O HETATM 1064 O HOH A 191 -3.420 37.484 8.586 1.00 51.03 O HETATM 1065 O HOH A 192 0.340 26.881 30.294 1.00 44.88 O HETATM 1066 O HOH A 193 3.626 24.430 28.368 1.00 40.98 O HETATM 1067 O HOH A 194 -4.927 11.302 31.378 1.00 39.79 O HETATM 1068 O HOH A 195 -8.110 21.631 -0.499 1.00 53.49 O HETATM 1069 O HOH A 196 -9.716 15.739 3.285 1.00 52.02 O HETATM 1070 O HOH A 197 8.493 24.489 4.792 1.00 54.76 O HETATM 1071 O HOH A 198 9.637 20.479 4.657 1.00 52.67 O HETATM 1072 O HOH A 199 -14.214 25.050 4.961 1.00 40.71 O HETATM 1073 O HOH A 200 -0.442 32.944 7.268 1.00 46.70 O HETATM 1074 O HOH A 201 -12.777 8.798 10.235 1.00 63.77 O HETATM 1075 O HOH A 202 -8.151 38.056 11.659 1.00 46.99 O HETATM 1076 O HOH A 203 -9.233 38.123 14.589 1.00 51.38 O HETATM 1077 O HOH A 204 0.715 38.211 22.124 1.00 52.20 O HETATM 1078 O HOH A 205 8.259 24.170 23.884 1.00 42.45 O HETATM 1079 O HOH A 206 17.577 8.353 30.137 1.00 42.53 O HETATM 1080 O HOH A 207 10.880 5.849 33.805 1.00 44.40 O HETATM 1081 O HOH A 208 18.320 16.251 38.274 1.00 64.72 O HETATM 1082 O HOH A 209 -14.099 25.777 -1.551 1.00 46.95 O HETATM 1083 O HOH A 210 -9.889 19.218 -0.347 1.00 51.18 O HETATM 1084 O HOH A 211 -3.324 22.910 0.950 1.00 47.10 O HETATM 1085 O HOH A 212 -1.658 20.780 2.878 1.00 44.12 O HETATM 1086 O HOH A 213 -11.465 36.241 14.734 1.00 50.85 O HETATM 1087 O HOH A 214 6.702 24.433 26.345 1.00 55.45 O HETATM 1088 O HOH A 215 0.103 35.926 8.808 1.00 35.54 O HETATM 1089 O HOH A 216 19.859 10.836 30.828 1.00 62.33 O HETATM 1090 O HOH A 217 0.099 38.775 9.248 1.00 53.35 O HETATM 1091 O HOH A 218 -17.495 11.869 14.614 1.00 42.57 O HETATM 1092 O HOH A 219 -12.098 17.683 28.050 1.00 48.24 O HETATM 1093 O HOH A 220 1.588 32.482 27.984 1.00 61.91 O HETATM 1094 O HOH A 221 19.806 13.867 37.622 1.00 60.32 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 260 0 0 8 2 0 0 6 1093 1 8 10 END