HEADER HYDROLASE 16-JAN-98 1XEJ TITLE THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF TITLE 2 HYDRATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HEN (GALLUS GALLUS) EGG-WHITE LYSOZYME, COMPND 5 MUCOPEPTIDE, N-ACETYLMURAMYL HYDROLASE; COMPND 6 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 CELL: EGG; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM (WHITE) KEYWDS HYDROLASE, O-GLYCOSYL, ENZYME MONOCLINIC 38% R.H. FORM II EXPDTA X-RAY DIFFRACTION AUTHOR H.G.NAGENDRA,N.SUKUMAR,M.VIJAYAN REVDAT 2 24-FEB-09 1XEJ 1 VERSN REVDAT 1 29-APR-98 1XEJ 0 JRNL AUTH H.G.NAGENDRA,N.SUKUMAR,M.VIJAYAN JRNL TITL ROLE OF WATER IN PLASTICITY, STABILITY, AND ACTION JRNL TITL 2 OF PROTEINS: THE CRYSTAL STRUCTURES OF LYSOZYME AT JRNL TITL 3 VERY LOW LEVELS OF HYDRATION. JRNL REF PROTEINS V. 32 229 1998 JRNL REFN ISSN 0887-3585 JRNL PMID 9714162 JRNL DOI 10.1002/(SICI)1097-0134(19980801)32:2<229::AID-PROT JRNL DOI 2 9>3.0.CO;2-F REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.G.NAGENDRA,C.SUDARSANAKUMAR,M.VIJAYAN REMARK 1 TITL CHARACTERIZATION OF LYSOZYME CRYSTALS WITH REMARK 1 TITL 2 UNUSUALLY LOW SOLVENT CONTENT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 51 390 1995 REMARK 1 REFN ISSN 0907-4449 REMARK 1 REFERENCE 2 REMARK 1 AUTH MADHUSUDAN,R.KODANDAPANI,M.VIJAYAN REMARK 1 TITL PROTEIN HYDRATION AND WATER STRUCTURE: X-RAY REMARK 1 TITL 2 ANALYSIS OF A CLOSELY PACKED PROTEIN CRYSTAL WITH REMARK 1 TITL 3 VERY LOW SOLVENT CONTENT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 49 234 1993 REMARK 1 REFN ISSN 0907-4449 REMARK 1 REFERENCE 3 REMARK 1 AUTH A.C.M.YOUNG,J.C.DEWAN,C.NAVE,R.F.TILTON REMARK 1 TITL COMPARISON OF RADIATION INDUCED DECAY AND REMARK 1 TITL 2 STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED REMARK 1 TITL 3 FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT REMARK 1 TITL 4 TEMPERATURES REMARK 1 REF J.APPL.CRYSTALLOGR. V. 26 309 1993 REMARK 1 REFN ISSN 0021-8898 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.KODANDAPANI,C.G.SURESH,M.VIJAYAN REMARK 1 TITL CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL REMARK 1 TITL 2 LYSOZYME AT 2.1-A RESOLUTION. VARIABILITY IN REMARK 1 TITL 3 HYDRATION SHELL AND ITS STRUCTURAL CONSEQUENCES REMARK 1 REF J.BIOL.CHEM. V. 265 16126 1990 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ, X-PLOR REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 79.1 REMARK 3 NUMBER OF REFLECTIONS : 4237 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : A POSTERIORI REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.194 REMARK 3 FREE R VALUE : 0.283 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 997 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 78 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.40 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) : 0.15 REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.012 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.044 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.049 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.010 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.121 ; 0.120 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.229 ; 0.500 REMARK 3 MULTIPLE TORSION (A) : 0.365 ; 0.500 REMARK 3 H-BOND (X...Y) (A) : 0.335 ; 0.500 REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.100 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 24.200; 20.000 REMARK 3 TRANSVERSE (DEGREES) : 21.000; 20.000 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.700 ; 1.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.900 ; 1.500 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.900 ; 1.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.800 ; 1.500 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1XEJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-OCT-92 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : SIEMENS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XENGEN REMARK 200 DATA SCALING SOFTWARE : XENGEN REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 4847 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.5 REMARK 200 DATA REDUNDANCY : 2.760 REMARK 200 R MERGE (I) : 0.06290 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 14.0800 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.06 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.14 REMARK 200 COMPLETENESS FOR SHELL (%) : 48.5 REMARK 200 DATA REDUNDANCY IN SHELL : 1.65 REMARK 200 R MERGE FOR SHELL (I) : 0.30700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.550 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: THE 38% RELATIVE HUMIDITY FORM I STRUCTURE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 17.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.6 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 27.94250 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: 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 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 SER A 72 OG REMARK 480 ILE A 124 CG1 CG2 CD1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES REMARK 500 SER A 72 C - N - CA ANGL. DEV. = 17.1 DEGREES REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 112 NE - CZ - NH2 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 128 NE - CZ - NH2 ANGL. DEV. = 3.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 5 -61.30 -14.42 REMARK 500 ASP A 18 97.87 -67.20 REMARK 500 ASN A 19 -27.23 96.63 REMARK 500 TYR A 20 122.01 -30.30 REMARK 500 LEU A 25 -60.64 -26.68 REMARK 500 ALA A 32 -70.04 -60.00 REMARK 500 SER A 36 36.31 -157.20 REMARK 500 ASN A 37 6.27 49.98 REMARK 500 PHE A 38 41.08 90.54 REMARK 500 ASN A 46 -159.09 -78.20 REMARK 500 ILE A 55 -31.40 -18.92 REMARK 500 ARG A 68 -33.14 166.95 REMARK 500 PRO A 70 -21.14 -36.17 REMARK 500 SER A 72 92.11 14.78 REMARK 500 SER A 86 -11.37 -45.02 REMARK 500 ASN A 103 3.92 -29.68 REMARK 500 TRP A 108 67.88 -112.99 REMARK 500 VAL A 109 -30.29 -23.51 REMARK 500 ASN A 113 -19.10 155.65 REMARK 500 GLN A 121 35.41 -61.48 REMARK 500 ARG A 128 79.66 68.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ACTIVE SITE DBREF 1XEJ 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 *78(H2 O) HELIX 1 1 ARG A 5 HIS A 15 1 11 HELIX 2 2 LEU A 25 SER A 36 1 12 HELIX 3 3 CYS A 80 LEU A 84 5 5 HELIX 4 4 ILE A 88 ASP A 101 1 14 HELIX 5 5 VAL A 109 CYS A 115 1 7 HELIX 6 6 VAL A 120 ILE A 124 5 5 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 PHE A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 50 GLY A 54 -1 O SER A 50 N ASN A 46 SHEET 3 B 3 GLN A 57 SER A 60 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.03 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.04 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.00 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 SITE 1 CAT 16 PHE A 34 GLU A 35 ASN A 37 ASN A 44 SITE 2 CAT 16 ASN A 46 ASP A 52 GLN A 57 ASN A 59 SITE 3 CAT 16 TRP A 62 TRP A 63 ASP A 101 ASN A 103 SITE 4 CAT 16 ALA A 107 TRP A 108 VAL A 109 ARG A 114 CRYST1 26.345 55.885 31.550 90.00 109.98 90.00 P 1 21 1 2 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 0.037958 0.000000 0.013801 0.00000 SCALE2 0.000000 0.017894 0.000000 0.00000 SCALE3 0.000000 0.000000 0.033726 0.00000 ATOM 1 N LYS A 1 9.388 46.924 28.809 1.00 32.80 N ATOM 2 CA LYS A 1 8.708 47.991 28.058 1.00 36.55 C ATOM 3 C LYS A 1 7.949 47.423 26.857 1.00 37.77 C ATOM 4 O LYS A 1 7.857 46.195 26.672 1.00 38.80 O ATOM 5 CB LYS A 1 9.679 49.057 27.582 1.00 33.21 C ATOM 6 CG LYS A 1 10.285 48.926 26.193 1.00 36.12 C ATOM 7 CD LYS A 1 11.389 49.927 25.912 1.00 32.81 C ATOM 8 CE LYS A 1 11.063 51.397 25.951 1.00 28.07 C ATOM 9 NZ LYS A 1 9.631 51.717 25.720 1.00 18.78 N ATOM 10 N VAL A 2 7.390 48.336 26.089 1.00 38.92 N ATOM 11 CA VAL A 2 6.659 48.066 24.832 1.00 38.17 C ATOM 12 C VAL A 2 7.583 48.816 23.834 1.00 41.79 C ATOM 13 O VAL A 2 8.067 49.910 24.198 1.00 40.61 O ATOM 14 CB VAL A 2 5.196 48.475 24.756 1.00 34.49 C ATOM 15 CG1 VAL A 2 4.605 48.341 23.351 1.00 34.51 C ATOM 16 CG2 VAL A 2 4.290 47.647 25.669 1.00 26.77 C ATOM 17 N PHE A 3 7.796 48.186 22.701 1.00 40.04 N ATOM 18 CA PHE A 3 8.679 48.755 21.660 1.00 38.01 C ATOM 19 C PHE A 3 7.900 49.479 20.563 1.00 37.49 C ATOM 20 O PHE A 3 6.665 49.485 20.562 1.00 33.32 O ATOM 21 CB PHE A 3 9.580 47.609 21.187 1.00 35.91 C ATOM 22 CG PHE A 3 10.820 47.353 21.999 1.00 36.52 C ATOM 23 CD1 PHE A 3 11.722 48.383 22.292 1.00 28.49 C ATOM 24 CD2 PHE A 3 11.090 46.065 22.459 1.00 34.91 C ATOM 25 CE1 PHE A 3 12.869 48.125 23.031 1.00 32.99 C ATOM 26 CE2 PHE A 3 12.233 45.800 23.214 1.00 39.89 C ATOM 27 CZ PHE A 3 13.133 46.824 23.498 1.00 30.16 C ATOM 28 N GLY A 4 8.613 50.096 19.644 1.00 38.92 N ATOM 29 CA GLY A 4 8.098 50.839 18.477 1.00 36.58 C ATOM 30 C GLY A 4 8.815 50.247 17.256 1.00 38.52 C ATOM 31 O GLY A 4 10.058 50.322 17.173 1.00 41.42 O ATOM 32 N ARG A 5 8.066 49.671 16.339 1.00 36.83 N ATOM 33 CA ARG A 5 8.570 48.988 15.146 1.00 33.50 C ATOM 34 C ARG A 5 10.037 49.309 14.885 1.00 33.58 C ATOM 35 O ARG A 5 10.887 48.403 14.864 1.00 32.32 O ATOM 36 CB ARG A 5 7.750 49.246 13.880 1.00 32.24 C ATOM 37 CG ARG A 5 7.442 47.984 13.080 1.00 31.98 C ATOM 38 CD ARG A 5 7.888 48.123 11.659 1.00 27.31 C ATOM 39 NE ARG A 5 7.665 49.485 11.209 1.00 34.50 N ATOM 40 CZ ARG A 5 7.874 50.018 10.017 1.00 33.17 C ATOM 41 NH1 ARG A 5 8.309 49.317 8.991 1.00 30.53 N ATOM 42 NH2 ARG A 5 7.654 51.322 9.836 1.00 32.66 N ATOM 43 N CYS A 6 10.301 50.573 14.666 1.00 36.09 N ATOM 44 CA CYS A 6 11.626 51.129 14.390 1.00 40.86 C ATOM 45 C CYS A 6 12.624 50.953 15.522 1.00 42.10 C ATOM 46 O CYS A 6 13.726 50.425 15.287 1.00 41.04 O ATOM 47 CB CYS A 6 11.462 52.631 14.078 1.00 41.41 C ATOM 48 SG CYS A 6 10.440 52.695 12.568 1.00 43.19 S ATOM 49 N GLU A 7 12.198 51.403 16.688 1.00 41.51 N ATOM 50 CA GLU A 7 13.007 51.332 17.918 1.00 44.18 C ATOM 51 C GLU A 7 13.615 49.973 18.246 1.00 42.61 C ATOM 52 O GLU A 7 14.713 49.870 18.822 1.00 42.28 O ATOM 53 CB GLU A 7 12.165 51.770 19.120 1.00 46.57 C ATOM 54 CG GLU A 7 12.624 51.480 20.559 1.00 49.81 C ATOM 55 CD GLU A 7 11.529 51.579 21.596 1.00 50.53 C ATOM 56 OE1 GLU A 7 10.358 51.760 21.259 1.00 52.78 O ATOM 57 OE2 GLU A 7 11.915 51.447 22.780 1.00 46.72 O ATOM 58 N LEU A 8 12.918 48.923 17.894 1.00 41.00 N ATOM 59 CA LEU A 8 13.227 47.502 18.083 1.00 35.28 C ATOM 60 C LEU A 8 14.022 46.965 16.907 1.00 35.40 C ATOM 61 O LEU A 8 14.762 45.969 16.973 1.00 37.53 O ATOM 62 CB LEU A 8 11.850 46.867 18.298 1.00 31.25 C ATOM 63 CG LEU A 8 11.664 45.371 18.291 1.00 28.88 C ATOM 64 CD1 LEU A 8 12.593 44.675 19.262 1.00 16.66 C ATOM 65 CD2 LEU A 8 10.213 45.102 18.667 1.00 26.70 C ATOM 66 N ALA A 9 13.873 47.649 15.789 1.00 32.60 N ATOM 67 CA ALA A 9 14.569 47.286 14.564 1.00 30.31 C ATOM 68 C ALA A 9 16.075 47.339 14.800 1.00 28.46 C ATOM 69 O ALA A 9 16.790 46.339 14.714 1.00 25.30 O ATOM 70 CB ALA A 9 14.241 48.256 13.439 1.00 31.13 C ATOM 71 N ALA A 10 16.476 48.575 15.059 1.00 27.30 N ATOM 72 CA ALA A 10 17.896 48.891 15.252 1.00 25.89 C ATOM 73 C ALA A 10 18.518 48.184 16.441 1.00 26.50 C ATOM 74 O ALA A 10 19.753 48.039 16.455 1.00 29.55 O ATOM 75 CB ALA A 10 18.063 50.396 15.286 1.00 30.71 C ATOM 76 N ALA A 11 17.742 47.749 17.393 1.00 23.29 N ATOM 77 CA ALA A 11 18.191 47.025 18.583 1.00 22.44 C ATOM 78 C ALA A 11 18.497 45.608 18.131 1.00 21.57 C ATOM 79 O ALA A 11 19.589 45.081 18.375 1.00 25.64 O ATOM 80 CB ALA A 11 17.107 47.079 19.645 1.00 21.37 C ATOM 81 N MET A 12 17.558 44.984 17.438 1.00 20.62 N ATOM 82 CA MET A 12 17.809 43.622 16.909 1.00 20.31 C ATOM 83 C MET A 12 19.061 43.653 16.037 1.00 21.61 C ATOM 84 O MET A 12 19.924 42.774 16.104 1.00 22.22 O ATOM 85 CB MET A 12 16.609 43.179 16.093 1.00 20.39 C ATOM 86 CG MET A 12 15.579 42.504 16.943 1.00 20.77 C ATOM 87 SD MET A 12 14.169 42.098 15.845 1.00 29.76 S ATOM 88 CE MET A 12 13.666 40.563 16.610 1.00 22.07 C ATOM 89 N LYS A 13 19.192 44.660 15.198 1.00 22.32 N ATOM 90 CA LYS A 13 20.287 44.935 14.272 1.00 22.23 C ATOM 91 C LYS A 13 21.658 45.088 14.924 1.00 25.87 C ATOM 92 O LYS A 13 22.660 44.712 14.287 1.00 27.93 O ATOM 93 CB LYS A 13 20.091 46.245 13.532 1.00 23.46 C ATOM 94 CG LYS A 13 21.008 46.508 12.335 1.00 21.40 C ATOM 95 CD LYS A 13 20.461 47.766 11.649 1.00 28.18 C ATOM 96 CE LYS A 13 21.372 48.327 10.588 1.00 30.27 C ATOM 97 NZ LYS A 13 21.374 49.815 10.752 1.00 32.80 N ATOM 98 N ARG A 14 21.671 45.647 16.125 1.00 25.81 N ATOM 99 CA ARG A 14 22.913 45.789 16.889 1.00 24.34 C ATOM 100 C ARG A 14 23.218 44.439 17.537 1.00 27.61 C ATOM 101 O ARG A 14 24.375 44.159 17.906 1.00 30.61 O ATOM 102 CB ARG A 14 22.808 46.857 17.944 1.00 24.05 C ATOM 103 CG ARG A 14 23.184 48.260 17.490 1.00 26.89 C ATOM 104 CD ARG A 14 22.931 49.234 18.606 1.00 25.31 C ATOM 105 NE ARG A 14 22.308 50.445 18.103 1.00 22.58 N ATOM 106 CZ ARG A 14 21.122 50.908 18.465 1.00 26.78 C ATOM 107 NH1 ARG A 14 20.365 50.266 19.347 1.00 25.43 N ATOM 108 NH2 ARG A 14 20.739 52.070 17.933 1.00 25.08 N ATOM 109 N HIS A 15 22.214 43.582 17.651 1.00 27.19 N ATOM 110 CA HIS A 15 22.407 42.250 18.264 1.00 28.26 C ATOM 111 C HIS A 15 22.577 41.085 17.296 1.00 28.02 C ATOM 112 O HIS A 15 22.425 39.882 17.607 1.00 22.32 O ATOM 113 CB HIS A 15 21.250 41.995 19.266 1.00 29.77 C ATOM 114 CG HIS A 15 21.386 42.836 20.503 1.00 28.24 C ATOM 115 ND1 HIS A 15 20.974 44.129 20.614 1.00 28.80 N ATOM 116 CD2 HIS A 15 21.903 42.515 21.704 1.00 27.97 C ATOM 117 CE1 HIS A 15 21.228 44.607 21.806 1.00 25.22 C ATOM 118 NE2 HIS A 15 21.785 43.635 22.474 1.00 31.55 N ATOM 119 N GLY A 16 22.926 41.437 16.068 1.00 30.18 N ATOM 120 CA GLY A 16 23.181 40.530 14.960 1.00 32.82 C ATOM 121 C GLY A 16 22.006 39.795 14.362 1.00 35.52 C ATOM 122 O GLY A 16 22.151 38.671 13.829 1.00 36.11 O ATOM 123 N LEU A 17 20.830 40.405 14.378 1.00 36.29 N ATOM 124 CA LEU A 17 19.648 39.738 13.791 1.00 34.96 C ATOM 125 C LEU A 17 19.527 40.024 12.301 1.00 36.57 C ATOM 126 O LEU A 17 18.823 39.233 11.601 1.00 38.69 O ATOM 127 CB LEU A 17 18.463 40.023 14.738 1.00 32.51 C ATOM 128 CG LEU A 17 18.457 39.086 15.943 1.00 30.07 C ATOM 129 CD1 LEU A 17 17.284 39.337 16.891 1.00 34.93 C ATOM 130 CD2 LEU A 17 18.369 37.612 15.544 1.00 30.69 C ATOM 131 N ASP A 18 20.182 41.033 11.744 1.00 31.95 N ATOM 132 CA ASP A 18 20.093 41.323 10.306 1.00 31.11 C ATOM 133 C ASP A 18 20.733 40.236 9.444 1.00 30.29 C ATOM 134 O ASP A 18 21.955 40.257 9.241 1.00 35.66 O ATOM 135 CB ASP A 18 20.685 42.674 9.914 1.00 33.75 C ATOM 136 CG ASP A 18 20.233 43.228 8.584 1.00 36.21 C ATOM 137 OD1 ASP A 18 19.879 42.490 7.652 1.00 37.21 O ATOM 138 OD2 ASP A 18 20.223 44.475 8.444 1.00 35.81 O ATOM 139 N ASN A 19 19.946 39.324 8.915 1.00 27.87 N ATOM 140 CA ASN A 19 20.445 38.284 8.009 1.00 26.38 C ATOM 141 C ASN A 19 20.764 36.928 8.620 1.00 28.81 C ATOM 142 O ASN A 19 20.658 35.951 7.830 1.00 31.63 O ATOM 143 CB ASN A 19 21.617 38.860 7.207 1.00 25.94 C ATOM 144 CG ASN A 19 21.311 39.887 6.146 1.00 25.39 C ATOM 145 OD1 ASN A 19 22.191 40.314 5.378 1.00 28.55 O ATOM 146 ND2 ASN A 19 20.101 40.406 6.018 1.00 25.68 N ATOM 147 N TYR A 20 21.111 36.830 9.874 1.00 25.07 N ATOM 148 CA TYR A 20 21.438 35.603 10.585 1.00 18.75 C ATOM 149 C TYR A 20 20.676 34.425 10.019 1.00 16.32 C ATOM 150 O TYR A 20 19.459 34.485 10.070 1.00 18.87 O ATOM 151 CB TYR A 20 21.076 35.704 12.101 1.00 22.58 C ATOM 152 CG TYR A 20 21.619 34.538 12.910 1.00 24.00 C ATOM 153 CD1 TYR A 20 22.977 34.513 13.266 1.00 24.33 C ATOM 154 CD2 TYR A 20 20.838 33.456 13.325 1.00 20.32 C ATOM 155 CE1 TYR A 20 23.510 33.460 13.997 1.00 23.75 C ATOM 156 CE2 TYR A 20 21.361 32.388 14.040 1.00 16.77 C ATOM 157 CZ TYR A 20 22.709 32.388 14.386 1.00 25.04 C ATOM 158 OH TYR A 20 23.264 31.350 15.117 1.00 20.68 O ATOM 159 N ARG A 21 21.307 33.392 9.560 1.00 18.64 N ATOM 160 CA ARG A 21 20.748 32.184 8.975 1.00 17.17 C ATOM 161 C ARG A 21 19.793 32.561 7.842 1.00 19.83 C ATOM 162 O ARG A 21 18.711 32.000 7.675 1.00 19.68 O ATOM 163 CB ARG A 21 20.074 31.285 9.985 1.00 21.05 C ATOM 164 CG ARG A 21 20.936 30.679 11.064 1.00 19.67 C ATOM 165 CD ARG A 21 21.360 29.263 10.850 1.00 25.11 C ATOM 166 NE ARG A 21 22.288 28.876 11.909 1.00 32.13 N ATOM 167 CZ ARG A 21 22.829 27.693 12.138 1.00 32.34 C ATOM 168 NH1 ARG A 21 22.547 26.662 11.355 1.00 33.65 N ATOM 169 NH2 ARG A 21 23.668 27.525 13.162 1.00 32.85 N ATOM 170 N GLY A 22 20.217 33.510 7.036 1.00 21.68 N ATOM 171 CA GLY A 22 19.482 34.020 5.903 1.00 22.93 C ATOM 172 C GLY A 22 18.054 34.407 6.199 1.00 23.19 C ATOM 173 O GLY A 22 17.124 34.011 5.474 1.00 28.19 O ATOM 174 N TYR A 23 17.887 35.196 7.219 1.00 22.47 N ATOM 175 CA TYR A 23 16.595 35.748 7.665 1.00 22.69 C ATOM 176 C TYR A 23 16.841 37.249 7.748 1.00 24.76 C ATOM 177 O TYR A 23 17.680 37.552 8.612 1.00 28.04 O ATOM 178 CB TYR A 23 16.179 35.118 8.980 1.00 22.82 C ATOM 179 CG TYR A 23 15.548 33.762 8.721 1.00 22.08 C ATOM 180 CD1 TYR A 23 14.286 33.615 8.163 1.00 20.24 C ATOM 181 CD2 TYR A 23 16.276 32.620 9.068 1.00 25.65 C ATOM 182 CE1 TYR A 23 13.750 32.344 7.949 1.00 21.65 C ATOM 183 CE2 TYR A 23 15.762 31.346 8.849 1.00 26.31 C ATOM 184 CZ TYR A 23 14.495 31.226 8.297 1.00 23.56 C ATOM 185 OH TYR A 23 14.031 29.953 8.145 1.00 31.24 O ATOM 186 N SER A 24 16.257 38.111 6.928 1.00 18.13 N ATOM 187 CA SER A 24 16.729 39.501 7.114 1.00 20.50 C ATOM 188 C SER A 24 15.964 40.145 8.240 1.00 20.26 C ATOM 189 O SER A 24 14.854 39.756 8.610 1.00 24.66 O ATOM 190 CB SER A 24 16.763 40.225 5.797 1.00 13.66 C ATOM 191 OG SER A 24 15.456 40.331 5.315 1.00 22.27 O ATOM 192 N LEU A 25 16.614 41.159 8.756 1.00 21.09 N ATOM 193 CA LEU A 25 16.152 41.978 9.891 1.00 18.53 C ATOM 194 C LEU A 25 14.638 41.930 9.929 1.00 19.29 C ATOM 195 O LEU A 25 14.035 41.469 10.895 1.00 21.50 O ATOM 196 CB LEU A 25 16.757 43.350 9.742 1.00 22.99 C ATOM 197 CG LEU A 25 16.860 44.386 10.827 1.00 18.47 C ATOM 198 CD1 LEU A 25 17.366 43.783 12.119 1.00 18.25 C ATOM 199 CD2 LEU A 25 17.862 45.443 10.323 1.00 17.85 C ATOM 200 N GLY A 26 14.094 42.401 8.850 1.00 20.68 N ATOM 201 CA GLY A 26 12.692 42.509 8.470 1.00 20.10 C ATOM 202 C GLY A 26 11.892 41.348 9.027 1.00 19.27 C ATOM 203 O GLY A 26 10.890 41.582 9.710 1.00 23.51 O ATOM 204 N ASN A 27 12.349 40.143 8.784 1.00 23.50 N ATOM 205 CA ASN A 27 11.712 38.911 9.255 1.00 22.17 C ATOM 206 C ASN A 27 11.500 39.010 10.772 1.00 20.84 C ATOM 207 O ASN A 27 10.403 38.759 11.286 1.00 20.04 O ATOM 208 CB ASN A 27 12.561 37.690 8.947 1.00 27.78 C ATOM 209 CG ASN A 27 12.510 37.088 7.564 1.00 28.90 C ATOM 210 OD1 ASN A 27 11.519 37.279 6.845 1.00 31.75 O ATOM 211 ND2 ASN A 27 13.588 36.364 7.231 1.00 27.47 N ATOM 212 N TRP A 28 12.604 39.346 11.396 1.00 18.67 N ATOM 213 CA TRP A 28 12.662 39.475 12.861 1.00 19.48 C ATOM 214 C TRP A 28 11.614 40.425 13.401 1.00 17.20 C ATOM 215 O TRP A 28 10.763 39.932 14.142 1.00 18.99 O ATOM 216 CB TRP A 28 14.123 39.779 13.248 1.00 18.63 C ATOM 217 CG TRP A 28 15.081 38.719 12.828 1.00 14.92 C ATOM 218 CD1 TRP A 28 15.992 38.769 11.808 1.00 19.75 C ATOM 219 CD2 TRP A 28 15.234 37.418 13.407 1.00 15.58 C ATOM 220 NE1 TRP A 28 16.716 37.597 11.738 1.00 13.89 N ATOM 221 CE2 TRP A 28 16.260 36.759 12.706 1.00 12.53 C ATOM 222 CE3 TRP A 28 14.621 36.769 14.474 1.00 18.98 C ATOM 223 CZ2 TRP A 28 16.674 35.475 13.030 1.00 19.46 C ATOM 224 CZ3 TRP A 28 15.026 35.492 14.790 1.00 16.43 C ATOM 225 CH2 TRP A 28 16.021 34.845 14.065 1.00 18.78 C ATOM 226 N VAL A 29 11.587 41.710 13.091 1.00 19.03 N ATOM 227 CA VAL A 29 10.588 42.666 13.541 1.00 14.92 C ATOM 228 C VAL A 29 9.156 42.195 13.371 1.00 20.88 C ATOM 229 O VAL A 29 8.269 42.444 14.207 1.00 23.92 O ATOM 230 CB VAL A 29 10.673 44.002 12.792 1.00 10.79 C ATOM 231 CG1 VAL A 29 9.899 45.071 13.557 1.00 8.50 C ATOM 232 CG2 VAL A 29 12.083 44.431 12.511 1.00 12.80 C ATOM 233 N CYS A 30 8.909 41.553 12.225 1.00 23.71 N ATOM 234 CA CYS A 30 7.560 41.031 11.925 1.00 18.35 C ATOM 235 C CYS A 30 7.181 39.899 12.862 1.00 17.24 C ATOM 236 O CYS A 30 6.035 39.881 13.352 1.00 18.98 O ATOM 237 CB CYS A 30 7.493 40.612 10.471 1.00 23.68 C ATOM 238 SG CYS A 30 5.880 40.107 9.875 1.00 33.58 S ATOM 239 N ALA A 31 8.027 38.929 13.193 1.00 16.20 N ATOM 240 CA ALA A 31 7.569 37.846 14.098 1.00 17.87 C ATOM 241 C ALA A 31 7.223 38.456 15.456 1.00 22.47 C ATOM 242 O ALA A 31 6.394 37.947 16.219 1.00 23.48 O ATOM 243 CB ALA A 31 8.567 36.736 14.214 1.00 17.15 C ATOM 244 N ALA A 32 7.903 39.565 15.687 1.00 22.00 N ATOM 245 CA ALA A 32 7.750 40.320 16.934 1.00 24.84 C ATOM 246 C ALA A 32 6.311 40.762 17.072 1.00 25.76 C ATOM 247 O ALA A 32 5.679 40.178 17.961 1.00 30.19 O ATOM 248 CB ALA A 32 8.735 41.460 17.053 1.00 24.88 C ATOM 249 N LYS A 33 5.837 41.676 16.283 1.00 26.84 N ATOM 250 CA LYS A 33 4.448 42.131 16.369 1.00 30.73 C ATOM 251 C LYS A 33 3.398 41.040 16.463 1.00 30.22 C ATOM 252 O LYS A 33 2.476 41.263 17.275 1.00 35.06 O ATOM 253 CB LYS A 33 4.068 43.018 15.173 1.00 36.05 C ATOM 254 CG LYS A 33 2.647 42.842 14.633 1.00 34.04 C ATOM 255 CD LYS A 33 2.185 44.133 13.975 1.00 35.52 C ATOM 256 CE LYS A 33 1.542 45.056 14.990 1.00 39.88 C ATOM 257 NZ LYS A 33 0.503 45.868 14.286 1.00 43.28 N ATOM 258 N PHE A 34 3.429 39.957 15.714 1.00 28.24 N ATOM 259 CA PHE A 34 2.381 38.927 15.816 1.00 24.99 C ATOM 260 C PHE A 34 2.618 37.863 16.868 1.00 29.69 C ATOM 261 O PHE A 34 1.953 36.804 16.806 1.00 32.14 O ATOM 262 CB PHE A 34 2.152 38.233 14.477 1.00 22.85 C ATOM 263 CG PHE A 34 1.817 39.271 13.451 1.00 27.09 C ATOM 264 CD1 PHE A 34 0.548 39.844 13.487 1.00 26.47 C ATOM 265 CD2 PHE A 34 2.767 39.658 12.508 1.00 23.72 C ATOM 266 CE1 PHE A 34 0.220 40.828 12.559 1.00 29.80 C ATOM 267 CE2 PHE A 34 2.430 40.632 11.554 1.00 28.22 C ATOM 268 CZ PHE A 34 1.153 41.210 11.587 1.00 30.09 C ATOM 269 N GLU A 35 3.545 38.139 17.771 1.00 30.38 N ATOM 270 CA GLU A 35 3.846 37.210 18.885 1.00 26.83 C ATOM 271 C GLU A 35 3.343 37.966 20.106 1.00 23.94 C ATOM 272 O GLU A 35 2.551 37.405 20.867 1.00 24.37 O ATOM 273 CB GLU A 35 5.280 36.756 18.909 1.00 23.45 C ATOM 274 CG GLU A 35 5.564 35.576 17.958 1.00 24.51 C ATOM 275 CD GLU A 35 5.177 34.189 18.508 1.00 24.87 C ATOM 276 OE1 GLU A 35 4.148 34.048 19.272 1.00 33.68 O ATOM 277 OE2 GLU A 35 5.882 33.154 18.201 1.00 22.96 O ATOM 278 N SER A 36 3.665 39.247 20.191 1.00 22.50 N ATOM 279 CA SER A 36 3.235 40.090 21.302 1.00 21.70 C ATOM 280 C SER A 36 3.199 41.569 21.032 1.00 22.97 C ATOM 281 O SER A 36 3.562 42.315 21.952 1.00 20.03 O ATOM 282 CB SER A 36 4.240 39.928 22.447 1.00 27.60 C ATOM 283 OG SER A 36 5.561 40.054 21.939 1.00 24.48 O ATOM 284 N ASN A 37 2.839 42.015 19.865 1.00 24.44 N ATOM 285 CA ASN A 37 2.786 43.445 19.541 1.00 30.18 C ATOM 286 C ASN A 37 4.054 44.202 19.909 1.00 32.89 C ATOM 287 O ASN A 37 4.052 45.447 19.733 1.00 36.54 O ATOM 288 CB ASN A 37 1.538 44.089 20.169 1.00 33.89 C ATOM 289 CG ASN A 37 1.393 45.556 19.807 1.00 34.51 C ATOM 290 OD1 ASN A 37 1.369 46.464 20.656 1.00 38.59 O ATOM 291 ND2 ASN A 37 1.299 45.848 18.516 1.00 36.77 N ATOM 292 N PHE A 38 5.113 43.570 20.348 1.00 32.23 N ATOM 293 CA PHE A 38 6.364 44.259 20.685 1.00 31.32 C ATOM 294 C PHE A 38 6.328 44.650 22.161 1.00 30.74 C ATOM 295 O PHE A 38 6.761 45.754 22.521 1.00 33.02 O ATOM 296 CB PHE A 38 6.604 45.496 19.847 1.00 36.30 C ATOM 297 CG PHE A 38 6.570 45.523 18.318 1.00 37.39 C ATOM 298 CD1 PHE A 38 7.209 44.558 17.537 1.00 36.14 C ATOM 299 CD2 PHE A 38 5.925 46.601 17.698 1.00 34.42 C ATOM 300 CE1 PHE A 38 7.192 44.666 16.143 1.00 39.95 C ATOM 301 CE2 PHE A 38 5.904 46.710 16.310 1.00 35.77 C ATOM 302 CZ PHE A 38 6.537 45.742 15.529 1.00 37.05 C ATOM 303 N ASN A 39 5.833 43.758 22.970 1.00 31.43 N ATOM 304 CA ASN A 39 5.634 43.861 24.428 1.00 29.10 C ATOM 305 C ASN A 39 6.574 42.940 25.179 1.00 26.86 C ATOM 306 O ASN A 39 6.331 41.720 25.109 1.00 22.31 O ATOM 307 CB ASN A 39 4.194 43.422 24.614 1.00 34.49 C ATOM 308 CG ASN A 39 3.406 43.933 25.788 1.00 36.97 C ATOM 309 OD1 ASN A 39 4.029 44.369 26.777 1.00 34.44 O ATOM 310 ND2 ASN A 39 2.093 43.805 25.537 1.00 32.16 N ATOM 311 N THR A 40 7.563 43.449 25.869 1.00 28.02 N ATOM 312 CA THR A 40 8.553 42.614 26.575 1.00 27.50 C ATOM 313 C THR A 40 8.134 41.773 27.748 1.00 26.53 C ATOM 314 O THR A 40 8.525 40.596 27.826 1.00 30.08 O ATOM 315 CB THR A 40 9.742 43.585 26.940 1.00 30.86 C ATOM 316 OG1 THR A 40 9.557 44.742 26.074 1.00 32.79 O ATOM 317 CG2 THR A 40 11.113 42.929 26.765 1.00 35.89 C ATOM 318 N GLN A 41 7.348 42.280 28.650 1.00 30.10 N ATOM 319 CA GLN A 41 6.878 41.591 29.853 1.00 29.01 C ATOM 320 C GLN A 41 5.850 40.529 29.533 1.00 30.03 C ATOM 321 O GLN A 41 5.522 39.687 30.370 1.00 30.62 O ATOM 322 CB GLN A 41 6.354 42.636 30.843 1.00 32.02 C ATOM 323 CG GLN A 41 7.397 43.527 31.470 1.00 41.13 C ATOM 324 CD GLN A 41 7.806 43.313 32.905 1.00 44.57 C ATOM 325 OE1 GLN A 41 7.530 44.037 33.872 1.00 42.60 O ATOM 326 NE2 GLN A 41 8.558 42.228 33.130 1.00 46.02 N ATOM 327 N ALA A 42 5.338 40.514 28.329 1.00 33.01 N ATOM 328 CA ALA A 42 4.307 39.621 27.819 1.00 28.40 C ATOM 329 C ALA A 42 4.634 38.138 27.858 1.00 30.73 C ATOM 330 O ALA A 42 5.533 37.631 27.197 1.00 32.07 O ATOM 331 CB ALA A 42 3.969 39.924 26.373 1.00 27.40 C ATOM 332 N THR A 43 3.806 37.466 28.624 1.00 33.36 N ATOM 333 CA THR A 43 3.872 36.024 28.846 1.00 34.88 C ATOM 334 C THR A 43 2.524 35.479 28.407 1.00 32.47 C ATOM 335 O THR A 43 1.574 36.260 28.355 1.00 35.45 O ATOM 336 CB THR A 43 4.156 35.608 30.339 1.00 33.29 C ATOM 337 OG1 THR A 43 2.811 35.494 30.902 1.00 38.24 O ATOM 338 CG2 THR A 43 5.002 36.567 31.173 1.00 33.09 C ATOM 339 N ASN A 44 2.466 34.198 28.133 1.00 34.18 N ATOM 340 CA ASN A 44 1.152 33.667 27.712 1.00 33.00 C ATOM 341 C ASN A 44 1.093 32.202 28.111 1.00 33.88 C ATOM 342 O ASN A 44 1.993 31.431 27.776 1.00 34.16 O ATOM 343 CB ASN A 44 0.926 33.904 26.227 1.00 33.01 C ATOM 344 CG ASN A 44 0.045 32.742 25.789 1.00 32.28 C ATOM 345 OD1 ASN A 44 -1.174 32.924 25.800 1.00 41.96 O ATOM 346 ND2 ASN A 44 0.638 31.602 25.489 1.00 24.75 N ATOM 347 N ARG A 45 0.029 31.880 28.804 1.00 35.97 N ATOM 348 CA ARG A 45 -0.129 30.492 29.274 1.00 41.92 C ATOM 349 C ARG A 45 -0.990 29.635 28.353 1.00 43.54 C ATOM 350 O ARG A 45 -2.189 29.842 28.128 1.00 40.18 O ATOM 351 CB ARG A 45 -0.601 30.528 30.730 1.00 42.86 C ATOM 352 CG ARG A 45 0.489 30.944 31.725 1.00 39.06 C ATOM 353 CD ARG A 45 0.696 32.429 31.729 1.00 39.32 C ATOM 354 NE ARG A 45 -0.466 33.154 32.215 1.00 39.62 N ATOM 355 CZ ARG A 45 -0.474 34.428 32.599 1.00 37.83 C ATOM 356 NH1 ARG A 45 0.617 35.182 32.538 1.00 34.17 N ATOM 357 NH2 ARG A 45 -1.610 34.927 33.067 1.00 32.98 N ATOM 358 N ASN A 46 -0.269 28.639 27.848 1.00 44.43 N ATOM 359 CA ASN A 46 -0.784 27.593 26.947 1.00 45.80 C ATOM 360 C ASN A 46 -1.539 26.598 27.841 1.00 46.98 C ATOM 361 O ASN A 46 -1.896 27.013 28.963 1.00 49.76 O ATOM 362 CB ASN A 46 0.313 26.961 26.128 1.00 44.54 C ATOM 363 CG ASN A 46 0.859 27.766 24.971 1.00 43.39 C ATOM 364 OD1 ASN A 46 0.725 29.002 24.924 1.00 40.86 O ATOM 365 ND2 ASN A 46 1.487 27.032 24.049 1.00 40.67 N ATOM 366 N THR A 47 -1.751 25.377 27.413 1.00 42.90 N ATOM 367 CA THR A 47 -2.517 24.430 28.244 1.00 43.12 C ATOM 368 C THR A 47 -1.841 23.620 29.327 1.00 43.61 C ATOM 369 O THR A 47 -2.392 23.548 30.458 1.00 44.07 O ATOM 370 CB THR A 47 -3.343 23.552 27.201 1.00 38.82 C ATOM 371 OG1 THR A 47 -4.306 24.532 26.702 1.00 39.66 O ATOM 372 CG2 THR A 47 -4.045 22.314 27.731 1.00 40.53 C ATOM 373 N ASP A 48 -0.709 22.994 29.099 1.00 44.00 N ATOM 374 CA ASP A 48 -0.019 22.156 30.086 1.00 43.53 C ATOM 375 C ASP A 48 1.116 22.839 30.826 1.00 44.93 C ATOM 376 O ASP A 48 2.294 22.522 30.585 1.00 46.33 O ATOM 377 CB ASP A 48 0.452 20.874 29.389 1.00 42.20 C ATOM 378 CG ASP A 48 1.031 19.872 30.364 1.00 41.61 C ATOM 379 OD1 ASP A 48 1.820 20.270 31.225 1.00 40.65 O ATOM 380 OD2 ASP A 48 0.653 18.691 30.215 1.00 43.38 O ATOM 381 N GLY A 49 0.743 23.727 31.733 1.00 45.90 N ATOM 382 CA GLY A 49 1.707 24.474 32.563 1.00 44.65 C ATOM 383 C GLY A 49 2.925 24.805 31.686 1.00 44.84 C ATOM 384 O GLY A 49 4.090 24.549 32.044 1.00 47.56 O ATOM 385 N SER A 50 2.579 25.379 30.552 1.00 38.59 N ATOM 386 CA SER A 50 3.509 25.809 29.505 1.00 31.50 C ATOM 387 C SER A 50 3.391 27.320 29.405 1.00 25.18 C ATOM 388 O SER A 50 2.278 27.823 29.615 1.00 30.69 O ATOM 389 CB SER A 50 3.166 25.166 28.174 1.00 30.42 C ATOM 390 OG SER A 50 4.325 25.061 27.372 1.00 26.24 O ATOM 391 N THR A 51 4.467 28.004 29.142 1.00 22.21 N ATOM 392 CA THR A 51 4.424 29.467 29.056 1.00 21.56 C ATOM 393 C THR A 51 5.478 29.960 28.084 1.00 23.16 C ATOM 394 O THR A 51 6.560 29.404 27.929 1.00 21.77 O ATOM 395 CB THR A 51 4.536 30.131 30.471 1.00 25.84 C ATOM 396 OG1 THR A 51 3.732 29.289 31.359 1.00 28.01 O ATOM 397 CG2 THR A 51 4.040 31.575 30.525 1.00 24.41 C ATOM 398 N ASP A 52 5.098 31.005 27.386 1.00 25.48 N ATOM 399 CA ASP A 52 5.857 31.698 26.351 1.00 26.57 C ATOM 400 C ASP A 52 6.108 33.094 26.913 1.00 28.25 C ATOM 401 O ASP A 52 5.046 33.654 27.245 1.00 31.52 O ATOM 402 CB ASP A 52 5.039 31.794 25.063 1.00 22.63 C ATOM 403 CG ASP A 52 4.840 30.472 24.361 1.00 26.20 C ATOM 404 OD1 ASP A 52 5.256 29.401 24.827 1.00 21.77 O ATOM 405 OD2 ASP A 52 4.225 30.548 23.274 1.00 34.71 O ATOM 406 N TYR A 53 7.342 33.538 26.964 1.00 25.50 N ATOM 407 CA TYR A 53 7.648 34.868 27.511 1.00 25.26 C ATOM 408 C TYR A 53 8.281 35.823 26.523 1.00 24.72 C ATOM 409 O TYR A 53 8.979 35.530 25.535 1.00 26.92 O ATOM 410 CB TYR A 53 8.601 34.685 28.720 1.00 24.14 C ATOM 411 CG TYR A 53 8.121 33.696 29.751 1.00 29.07 C ATOM 412 CD1 TYR A 53 8.424 32.332 29.673 1.00 23.23 C ATOM 413 CD2 TYR A 53 7.359 34.133 30.849 1.00 36.39 C ATOM 414 CE1 TYR A 53 7.958 31.443 30.629 1.00 21.71 C ATOM 415 CE2 TYR A 53 6.892 33.262 31.834 1.00 24.15 C ATOM 416 CZ TYR A 53 7.207 31.917 31.710 1.00 28.04 C ATOM 417 OH TYR A 53 6.759 31.049 32.678 1.00 23.78 O ATOM 418 N GLY A 54 8.058 37.083 26.790 1.00 24.35 N ATOM 419 CA GLY A 54 8.552 38.224 26.050 1.00 26.82 C ATOM 420 C GLY A 54 8.506 38.269 24.539 1.00 24.07 C ATOM 421 O GLY A 54 8.023 37.453 23.770 1.00 28.04 O ATOM 422 N ILE A 55 9.111 39.320 24.059 1.00 23.84 N ATOM 423 CA ILE A 55 9.326 39.863 22.757 1.00 26.21 C ATOM 424 C ILE A 55 9.136 38.868 21.621 1.00 26.67 C ATOM 425 O ILE A 55 8.728 39.316 20.533 1.00 31.16 O ATOM 426 CB ILE A 55 10.754 40.536 22.694 1.00 20.14 C ATOM 427 CG1 ILE A 55 10.837 41.384 21.419 1.00 20.10 C ATOM 428 CG2 ILE A 55 11.914 39.529 22.757 1.00 18.36 C ATOM 429 CD1 ILE A 55 10.234 42.786 21.567 1.00 16.43 C ATOM 430 N LEU A 56 9.426 37.620 21.866 1.00 23.57 N ATOM 431 CA LEU A 56 9.332 36.589 20.842 1.00 24.25 C ATOM 432 C LEU A 56 8.687 35.319 21.355 1.00 20.70 C ATOM 433 O LEU A 56 8.667 34.314 20.631 1.00 19.80 O ATOM 434 CB LEU A 56 10.759 36.303 20.361 1.00 27.07 C ATOM 435 CG LEU A 56 11.444 37.262 19.402 1.00 22.75 C ATOM 436 CD1 LEU A 56 12.883 36.793 19.228 1.00 19.21 C ATOM 437 CD2 LEU A 56 10.691 37.228 18.084 1.00 17.81 C ATOM 438 N GLN A 57 8.236 35.358 22.586 1.00 14.96 N ATOM 439 CA GLN A 57 7.585 34.156 23.130 1.00 15.02 C ATOM 440 C GLN A 57 8.305 32.841 23.060 1.00 14.64 C ATOM 441 O GLN A 57 7.726 31.864 22.563 1.00 20.08 O ATOM 442 CB GLN A 57 6.215 33.925 22.440 1.00 20.65 C ATOM 443 CG GLN A 57 5.300 35.111 22.725 1.00 22.97 C ATOM 444 CD GLN A 57 4.370 34.933 23.890 1.00 21.70 C ATOM 445 OE1 GLN A 57 3.700 33.926 23.961 1.00 21.97 O ATOM 446 NE2 GLN A 57 4.340 35.923 24.781 1.00 20.52 N ATOM 447 N ILE A 58 9.487 32.769 23.600 1.00 19.14 N ATOM 448 CA ILE A 58 10.311 31.573 23.734 1.00 19.67 C ATOM 449 C ILE A 58 9.601 30.755 24.806 1.00 24.45 C ATOM 450 O ILE A 58 9.503 31.263 25.940 1.00 25.00 O ATOM 451 CB ILE A 58 11.731 32.008 24.202 1.00 11.50 C ATOM 452 CG1 ILE A 58 12.564 32.496 23.012 1.00 12.88 C ATOM 453 CG2 ILE A 58 12.441 30.863 24.975 1.00 12.68 C ATOM 454 CD1 ILE A 58 12.705 34.034 22.871 1.00 8.75 C ATOM 455 N ASN A 59 9.104 29.593 24.481 1.00 25.36 N ATOM 456 CA ASN A 59 8.373 28.731 25.403 1.00 27.06 C ATOM 457 C ASN A 59 9.261 27.844 26.283 1.00 24.12 C ATOM 458 O ASN A 59 10.143 27.153 25.816 1.00 23.51 O ATOM 459 CB ASN A 59 7.372 27.894 24.606 1.00 26.78 C ATOM 460 CG ASN A 59 7.305 26.467 25.137 1.00 29.23 C ATOM 461 OD1 ASN A 59 8.273 25.719 25.001 1.00 33.13 O ATOM 462 ND2 ASN A 59 6.213 26.045 25.744 1.00 23.56 N ATOM 463 N SER A 60 8.925 27.828 27.538 1.00 25.31 N ATOM 464 CA SER A 60 9.504 27.177 28.697 1.00 22.82 C ATOM 465 C SER A 60 9.684 25.681 28.699 1.00 21.99 C ATOM 466 O SER A 60 10.645 25.226 29.372 1.00 19.77 O ATOM 467 CB SER A 60 8.681 27.560 29.934 1.00 16.83 C ATOM 468 OG SER A 60 7.421 26.958 29.933 1.00 19.85 O ATOM 469 N ARG A 61 8.879 24.906 28.026 1.00 20.92 N ATOM 470 CA ARG A 61 9.076 23.448 28.036 1.00 18.42 C ATOM 471 C ARG A 61 10.319 23.078 27.248 1.00 24.19 C ATOM 472 O ARG A 61 10.870 21.961 27.448 1.00 27.14 O ATOM 473 CB ARG A 61 7.849 22.754 27.474 1.00 18.05 C ATOM 474 CG ARG A 61 7.649 21.327 27.928 1.00 26.47 C ATOM 475 CD ARG A 61 6.203 20.979 28.005 1.00 31.05 C ATOM 476 NE ARG A 61 5.948 19.574 28.315 1.00 32.24 N ATOM 477 CZ ARG A 61 4.935 19.226 29.118 1.00 31.42 C ATOM 478 NH1 ARG A 61 4.180 20.154 29.699 1.00 32.92 N ATOM 479 NH2 ARG A 61 4.699 17.940 29.341 1.00 31.72 N ATOM 480 N TRP A 62 10.773 24.001 26.391 1.00 22.21 N ATOM 481 CA TRP A 62 11.949 23.672 25.571 1.00 18.20 C ATOM 482 C TRP A 62 13.225 24.468 25.675 1.00 13.66 C ATOM 483 O TRP A 62 14.283 23.846 25.576 1.00 17.03 O ATOM 484 CB TRP A 62 11.464 23.781 24.097 1.00 27.55 C ATOM 485 CG TRP A 62 10.640 22.603 23.599 1.00 27.60 C ATOM 486 CD1 TRP A 62 9.362 22.331 23.888 1.00 27.96 C ATOM 487 CD2 TRP A 62 11.121 21.604 22.720 1.00 32.37 C ATOM 488 NE1 TRP A 62 9.023 21.132 23.184 1.00 35.83 N ATOM 489 CE2 TRP A 62 10.071 20.721 22.507 1.00 36.18 C ATOM 490 CE3 TRP A 62 12.351 21.371 22.097 1.00 34.40 C ATOM 491 CZ2 TRP A 62 10.182 19.589 21.691 1.00 35.94 C ATOM 492 CZ3 TRP A 62 12.454 20.229 21.278 1.00 39.32 C ATOM 493 CH2 TRP A 62 11.419 19.381 21.085 1.00 36.68 C ATOM 494 N TRP A 63 13.183 25.747 25.784 1.00 8.51 N ATOM 495 CA TRP A 63 14.298 26.662 25.777 1.00 17.61 C ATOM 496 C TRP A 63 14.745 27.193 27.117 1.00 20.13 C ATOM 497 O TRP A 63 15.979 27.294 27.235 1.00 23.19 O ATOM 498 CB TRP A 63 13.932 27.819 24.767 1.00 20.08 C ATOM 499 CG TRP A 63 13.384 27.183 23.522 1.00 20.87 C ATOM 500 CD1 TRP A 63 12.077 27.144 23.090 1.00 21.52 C ATOM 501 CD2 TRP A 63 14.147 26.457 22.552 1.00 14.27 C ATOM 502 NE1 TRP A 63 11.981 26.417 21.937 1.00 18.44 N ATOM 503 CE2 TRP A 63 13.232 25.971 21.598 1.00 16.48 C ATOM 504 CE3 TRP A 63 15.483 26.121 22.426 1.00 12.13 C ATOM 505 CZ2 TRP A 63 13.630 25.183 20.533 1.00 15.37 C ATOM 506 CZ3 TRP A 63 15.893 25.343 21.368 1.00 12.92 C ATOM 507 CH2 TRP A 63 14.979 24.875 20.435 1.00 15.67 C ATOM 508 N CYS A 64 13.874 27.521 28.039 1.00 22.71 N ATOM 509 CA CYS A 64 14.255 28.053 29.367 1.00 26.32 C ATOM 510 C CYS A 64 13.548 27.302 30.491 1.00 24.73 C ATOM 511 O CYS A 64 12.761 26.395 30.195 1.00 24.86 O ATOM 512 CB CYS A 64 13.980 29.542 29.415 1.00 25.40 C ATOM 513 SG CYS A 64 12.264 30.009 29.365 1.00 22.39 S ATOM 514 N ASN A 65 13.838 27.598 31.741 1.00 25.53 N ATOM 515 CA ASN A 65 13.249 26.949 32.928 1.00 25.45 C ATOM 516 C ASN A 65 12.551 27.951 33.825 1.00 21.60 C ATOM 517 O ASN A 65 13.126 29.014 34.022 1.00 22.53 O ATOM 518 CB ASN A 65 14.275 26.199 33.806 1.00 30.98 C ATOM 519 CG ASN A 65 13.582 25.243 34.778 1.00 35.08 C ATOM 520 OD1 ASN A 65 12.543 25.598 35.358 1.00 29.00 O ATOM 521 ND2 ASN A 65 14.114 24.035 34.966 1.00 35.10 N ATOM 522 N ASP A 66 11.392 27.624 34.335 1.00 26.74 N ATOM 523 CA ASP A 66 10.624 28.541 35.215 1.00 25.30 C ATOM 524 C ASP A 66 10.163 27.724 36.433 1.00 25.74 C ATOM 525 O ASP A 66 9.130 27.978 37.053 1.00 23.66 O ATOM 526 CB ASP A 66 9.454 29.175 34.490 1.00 24.57 C ATOM 527 CG ASP A 66 8.431 28.226 33.895 1.00 24.27 C ATOM 528 OD1 ASP A 66 8.577 26.995 33.897 1.00 24.46 O ATOM 529 OD2 ASP A 66 7.418 28.781 33.402 1.00 25.00 O ATOM 530 N GLY A 67 11.008 26.742 36.644 1.00 28.34 N ATOM 531 CA GLY A 67 10.851 25.768 37.717 1.00 27.70 C ATOM 532 C GLY A 67 9.392 25.344 37.800 1.00 26.18 C ATOM 533 O GLY A 67 8.585 26.057 38.395 1.00 27.74 O ATOM 534 N ARG A 68 9.128 24.197 37.215 1.00 28.43 N ATOM 535 CA ARG A 68 7.744 23.711 37.286 1.00 31.90 C ATOM 536 C ARG A 68 7.424 22.572 36.357 1.00 35.79 C ATOM 537 O ARG A 68 6.610 21.708 36.754 1.00 37.75 O ATOM 538 CB ARG A 68 6.879 24.952 37.063 1.00 37.91 C ATOM 539 CG ARG A 68 5.655 24.874 36.181 1.00 41.91 C ATOM 540 CD ARG A 68 4.556 25.769 36.585 1.00 43.36 C ATOM 541 NE ARG A 68 4.559 27.146 36.170 1.00 43.67 N ATOM 542 CZ ARG A 68 5.332 28.159 36.552 1.00 44.49 C ATOM 543 NH1 ARG A 68 6.428 28.063 37.296 1.00 41.46 N ATOM 544 NH2 ARG A 68 4.963 29.402 36.214 1.00 45.24 N ATOM 545 N THR A 69 8.038 22.525 35.186 1.00 37.87 N ATOM 546 CA THR A 69 7.664 21.494 34.207 1.00 41.62 C ATOM 547 C THR A 69 8.268 20.126 34.055 1.00 39.92 C ATOM 548 O THR A 69 9.428 19.985 33.666 1.00 41.18 O ATOM 549 CB THR A 69 7.731 22.242 32.784 1.00 43.04 C ATOM 550 OG1 THR A 69 8.279 23.542 32.945 1.00 46.95 O ATOM 551 CG2 THR A 69 6.358 22.402 32.128 1.00 45.73 C ATOM 552 N PRO A 70 7.439 19.095 34.246 1.00 41.61 N ATOM 553 CA PRO A 70 7.779 17.682 34.097 1.00 41.83 C ATOM 554 C PRO A 70 8.742 17.283 32.997 1.00 43.32 C ATOM 555 O PRO A 70 9.347 16.194 33.041 1.00 42.80 O ATOM 556 CB PRO A 70 6.411 17.028 33.787 1.00 39.17 C ATOM 557 CG PRO A 70 5.492 17.800 34.691 1.00 36.28 C ATOM 558 CD PRO A 70 6.027 19.228 34.674 1.00 37.53 C ATOM 559 N GLY A 71 8.853 18.153 32.013 1.00 43.52 N ATOM 560 CA GLY A 71 9.705 17.991 30.836 1.00 43.90 C ATOM 561 C GLY A 71 11.043 18.696 31.004 1.00 41.33 C ATOM 562 O GLY A 71 12.074 18.027 31.059 1.00 36.29 O ATOM 563 N SER A 72 10.999 19.988 31.078 1.00 43.17 N ATOM 564 CA SER A 72 11.907 21.097 31.238 1.00 42.48 C ATOM 565 C SER A 72 13.412 20.938 31.049 1.00 42.88 C ATOM 566 O SER A 72 14.166 20.682 32.003 1.00 42.13 O ATOM 567 CB SER A 72 11.687 21.683 32.645 1.00 44.97 C ATOM 568 OG SER A 72 12.914 22.031 33.260 0.00 42.44 O ATOM 569 N ARG A 73 13.855 21.186 29.828 1.00 43.27 N ATOM 570 CA ARG A 73 15.224 21.054 29.359 1.00 40.09 C ATOM 571 C ARG A 73 16.202 22.202 29.378 1.00 39.19 C ATOM 572 O ARG A 73 17.441 21.967 29.395 1.00 42.46 O ATOM 573 CB ARG A 73 15.133 20.601 27.875 1.00 41.00 C ATOM 574 CG ARG A 73 14.225 19.386 27.716 1.00 43.33 C ATOM 575 CD ARG A 73 13.630 19.277 26.322 1.00 48.00 C ATOM 576 NE ARG A 73 14.650 19.057 25.296 1.00 44.38 N ATOM 577 CZ ARG A 73 15.203 17.870 25.040 1.00 42.35 C ATOM 578 NH1 ARG A 73 14.847 16.780 25.736 1.00 39.56 N ATOM 579 NH2 ARG A 73 16.128 17.671 24.093 1.00 41.86 N ATOM 580 N ASN A 74 15.712 23.421 29.325 1.00 34.95 N ATOM 581 CA ASN A 74 16.665 24.559 29.330 1.00 32.60 C ATOM 582 C ASN A 74 17.700 24.371 28.222 1.00 30.71 C ATOM 583 O ASN A 74 18.907 24.254 28.495 1.00 32.43 O ATOM 584 CB ASN A 74 17.287 24.592 30.707 1.00 28.69 C ATOM 585 CG ASN A 74 17.208 25.943 31.371 1.00 34.80 C ATOM 586 OD1 ASN A 74 17.027 26.992 30.728 1.00 38.26 O ATOM 587 ND2 ASN A 74 17.322 25.942 32.697 1.00 38.24 N ATOM 588 N LEU A 75 17.261 24.328 26.977 1.00 26.11 N ATOM 589 CA LEU A 75 18.237 24.168 25.890 1.00 26.79 C ATOM 590 C LEU A 75 19.003 25.483 25.750 1.00 23.29 C ATOM 591 O LEU A 75 20.197 25.421 25.419 1.00 23.73 O ATOM 592 CB LEU A 75 17.612 23.717 24.577 1.00 25.76 C ATOM 593 CG LEU A 75 17.364 22.236 24.378 1.00 21.19 C ATOM 594 CD1 LEU A 75 18.570 21.388 24.747 1.00 20.89 C ATOM 595 CD2 LEU A 75 16.165 21.869 25.255 1.00 26.12 C ATOM 596 N CYS A 76 18.297 26.569 25.982 1.00 21.13 N ATOM 597 CA CYS A 76 18.916 27.905 25.862 1.00 22.23 C ATOM 598 C CYS A 76 19.755 28.157 27.119 1.00 21.39 C ATOM 599 O CYS A 76 20.495 29.135 27.274 1.00 17.76 O ATOM 600 CB CYS A 76 17.862 28.979 25.646 1.00 24.76 C ATOM 601 SG CYS A 76 17.537 29.495 23.937 1.00 23.79 S ATOM 602 N ASN A 77 19.570 27.229 28.025 1.00 20.16 N ATOM 603 CA ASN A 77 20.165 27.132 29.341 1.00 25.48 C ATOM 604 C ASN A 77 20.116 28.420 30.159 1.00 26.36 C ATOM 605 O ASN A 77 21.196 28.840 30.596 1.00 30.01 O ATOM 606 CB ASN A 77 21.630 26.681 29.250 1.00 28.61 C ATOM 607 CG ASN A 77 22.153 26.626 30.677 1.00 33.49 C ATOM 608 OD1 ASN A 77 21.633 25.848 31.475 1.00 33.76 O ATOM 609 ND2 ASN A 77 23.115 27.490 30.966 1.00 34.74 N ATOM 610 N ILE A 78 18.931 28.953 30.341 1.00 24.88 N ATOM 611 CA ILE A 78 18.646 30.142 31.101 1.00 20.50 C ATOM 612 C ILE A 78 17.294 30.045 31.808 1.00 19.40 C ATOM 613 O ILE A 78 16.472 29.189 31.469 1.00 19.94 O ATOM 614 CB ILE A 78 18.598 31.481 30.274 1.00 20.10 C ATOM 615 CG1 ILE A 78 17.734 31.334 28.989 1.00 19.35 C ATOM 616 CG2 ILE A 78 20.024 32.034 30.004 1.00 19.65 C ATOM 617 CD1 ILE A 78 17.357 32.709 28.374 1.00 12.78 C ATOM 618 N PRO A 79 17.112 31.007 32.676 1.00 22.59 N ATOM 619 CA PRO A 79 15.936 31.242 33.502 1.00 23.23 C ATOM 620 C PRO A 79 14.907 32.111 32.791 1.00 24.70 C ATOM 621 O PRO A 79 15.158 33.265 32.391 1.00 23.17 O ATOM 622 CB PRO A 79 16.469 31.993 34.710 1.00 22.62 C ATOM 623 CG PRO A 79 17.955 32.010 34.540 1.00 21.74 C ATOM 624 CD PRO A 79 18.131 32.030 33.031 1.00 25.39 C ATOM 625 N CYS A 80 13.710 31.549 32.683 1.00 22.00 N ATOM 626 CA CYS A 80 12.662 32.288 31.961 1.00 22.07 C ATOM 627 C CYS A 80 12.615 33.742 32.370 1.00 22.62 C ATOM 628 O CYS A 80 12.404 34.539 31.417 1.00 24.72 O ATOM 629 CB CYS A 80 11.369 31.516 31.988 1.00 24.72 C ATOM 630 SG CYS A 80 11.417 29.918 31.177 1.00 21.58 S ATOM 631 N SER A 81 12.806 34.158 33.588 1.00 19.89 N ATOM 632 CA SER A 81 12.737 35.590 33.930 1.00 19.20 C ATOM 633 C SER A 81 13.819 36.359 33.190 1.00 19.14 C ATOM 634 O SER A 81 13.747 37.594 33.077 1.00 24.57 O ATOM 635 CB SER A 81 12.878 35.928 35.408 1.00 14.39 C ATOM 636 OG SER A 81 13.940 35.167 35.897 1.00 16.89 O ATOM 637 N ALA A 82 14.784 35.654 32.649 1.00 19.78 N ATOM 638 CA ALA A 82 15.808 36.446 31.909 1.00 21.64 C ATOM 639 C ALA A 82 15.063 37.142 30.777 1.00 23.93 C ATOM 640 O ALA A 82 15.375 38.221 30.277 1.00 21.50 O ATOM 641 CB ALA A 82 16.921 35.474 31.560 1.00 16.14 C ATOM 642 N LEU A 83 14.023 36.477 30.328 1.00 28.04 N ATOM 643 CA LEU A 83 13.134 36.790 29.215 1.00 29.15 C ATOM 644 C LEU A 83 12.108 37.886 29.402 1.00 28.53 C ATOM 645 O LEU A 83 11.524 38.366 28.419 1.00 28.56 O ATOM 646 CB LEU A 83 12.495 35.422 28.877 1.00 22.36 C ATOM 647 CG LEU A 83 12.972 34.660 27.677 1.00 13.71 C ATOM 648 CD1 LEU A 83 14.359 35.035 27.219 1.00 11.82 C ATOM 649 CD2 LEU A 83 12.971 33.159 27.958 1.00 12.63 C ATOM 650 N LEU A 84 11.854 38.323 30.614 1.00 29.55 N ATOM 651 CA LEU A 84 10.879 39.369 30.902 1.00 27.48 C ATOM 652 C LEU A 84 11.485 40.704 31.282 1.00 29.57 C ATOM 653 O LEU A 84 10.723 41.535 31.816 1.00 34.98 O ATOM 654 CB LEU A 84 9.912 38.801 31.941 1.00 23.63 C ATOM 655 CG LEU A 84 9.079 37.633 31.474 1.00 19.20 C ATOM 656 CD1 LEU A 84 8.721 36.674 32.600 1.00 26.10 C ATOM 657 CD2 LEU A 84 7.791 38.238 30.936 1.00 24.74 C ATOM 658 N SER A 85 12.747 40.950 31.030 1.00 32.94 N ATOM 659 CA SER A 85 13.313 42.276 31.356 1.00 38.38 C ATOM 660 C SER A 85 13.604 42.955 30.006 1.00 41.74 C ATOM 661 O SER A 85 14.139 42.347 29.061 1.00 43.35 O ATOM 662 CB SER A 85 14.527 42.283 32.254 1.00 39.33 C ATOM 663 OG SER A 85 14.530 41.395 33.337 1.00 41.30 O ATOM 664 N SER A 86 13.266 44.226 29.950 1.00 40.76 N ATOM 665 CA SER A 86 13.445 45.124 28.816 1.00 34.69 C ATOM 666 C SER A 86 14.833 44.974 28.204 1.00 36.36 C ATOM 667 O SER A 86 15.046 45.518 27.101 1.00 35.40 O ATOM 668 CB SER A 86 13.173 46.545 29.250 1.00 36.06 C ATOM 669 OG SER A 86 11.850 46.682 29.746 1.00 35.59 O ATOM 670 N ASP A 87 15.709 44.273 28.892 1.00 36.79 N ATOM 671 CA ASP A 87 17.079 43.998 28.376 1.00 40.22 C ATOM 672 C ASP A 87 16.781 42.746 27.522 1.00 40.11 C ATOM 673 O ASP A 87 16.542 41.625 27.982 1.00 40.71 O ATOM 674 CB ASP A 87 18.153 43.979 29.426 1.00 41.74 C ATOM 675 CG ASP A 87 17.945 43.198 30.719 1.00 45.44 C ATOM 676 OD1 ASP A 87 17.716 41.932 30.683 1.00 42.70 O ATOM 677 OD2 ASP A 87 18.016 43.811 31.852 1.00 42.87 O ATOM 678 N ILE A 88 16.718 43.001 26.227 1.00 38.16 N ATOM 679 CA ILE A 88 16.390 42.081 25.140 1.00 31.65 C ATOM 680 C ILE A 88 17.440 41.044 24.815 1.00 29.71 C ATOM 681 O ILE A 88 17.155 40.066 24.106 1.00 25.79 O ATOM 682 CB ILE A 88 15.993 42.892 23.842 1.00 29.64 C ATOM 683 CG1 ILE A 88 16.814 42.388 22.634 1.00 23.10 C ATOM 684 CG2 ILE A 88 16.124 44.438 23.987 1.00 30.04 C ATOM 685 CD1 ILE A 88 16.786 43.408 21.450 1.00 17.88 C ATOM 686 N THR A 89 18.618 41.256 25.354 1.00 31.23 N ATOM 687 CA THR A 89 19.788 40.402 25.151 1.00 27.41 C ATOM 688 C THR A 89 19.661 38.956 25.586 1.00 27.07 C ATOM 689 O THR A 89 20.623 38.227 25.272 1.00 31.19 O ATOM 690 CB THR A 89 21.126 41.027 25.701 1.00 26.70 C ATOM 691 OG1 THR A 89 21.382 42.264 24.938 1.00 22.08 O ATOM 692 CG2 THR A 89 22.240 39.976 25.618 1.00 25.46 C ATOM 693 N ALA A 90 18.580 38.536 26.187 1.00 24.27 N ATOM 694 CA ALA A 90 18.455 37.110 26.530 1.00 22.93 C ATOM 695 C ALA A 90 17.493 36.480 25.522 1.00 22.18 C ATOM 696 O ALA A 90 17.538 35.271 25.318 1.00 21.67 O ATOM 697 CB ALA A 90 18.029 36.884 27.957 1.00 22.12 C ATOM 698 N SER A 91 16.655 37.294 24.914 1.00 23.81 N ATOM 699 CA SER A 91 15.679 36.848 23.908 1.00 25.15 C ATOM 700 C SER A 91 16.352 36.662 22.547 1.00 23.19 C ATOM 701 O SER A 91 16.149 35.621 21.895 1.00 22.44 O ATOM 702 CB SER A 91 14.514 37.827 23.889 1.00 23.40 C ATOM 703 OG SER A 91 13.924 37.838 25.182 1.00 15.73 O ATOM 704 N VAL A 92 17.136 37.631 22.139 1.00 20.07 N ATOM 705 CA VAL A 92 17.858 37.578 20.867 1.00 27.12 C ATOM 706 C VAL A 92 18.876 36.427 20.921 1.00 26.83 C ATOM 707 O VAL A 92 18.948 35.643 19.963 1.00 27.40 O ATOM 708 CB VAL A 92 18.524 38.898 20.455 1.00 25.40 C ATOM 709 CG1 VAL A 92 19.134 38.778 19.055 1.00 28.01 C ATOM 710 CG2 VAL A 92 17.591 40.082 20.489 1.00 27.40 C ATOM 711 N ASN A 93 19.598 36.370 22.018 1.00 27.49 N ATOM 712 CA ASN A 93 20.621 35.358 22.297 1.00 25.05 C ATOM 713 C ASN A 93 20.136 33.924 22.200 1.00 21.68 C ATOM 714 O ASN A 93 20.821 33.009 21.752 1.00 23.84 O ATOM 715 CB ASN A 93 21.216 35.609 23.696 1.00 30.08 C ATOM 716 CG ASN A 93 22.635 36.143 23.516 1.00 32.16 C ATOM 717 OD1 ASN A 93 23.492 35.345 23.143 1.00 27.76 O ATOM 718 ND2 ASN A 93 22.838 37.439 23.718 1.00 36.99 N ATOM 719 N CYS A 94 18.939 33.696 22.636 1.00 22.98 N ATOM 720 CA CYS A 94 18.190 32.453 22.653 1.00 23.55 C ATOM 721 C CYS A 94 17.553 32.179 21.295 1.00 24.93 C ATOM 722 O CYS A 94 17.576 31.034 20.797 1.00 28.01 O ATOM 723 CB CYS A 94 17.165 32.570 23.774 1.00 17.17 C ATOM 724 SG CYS A 94 16.269 31.068 24.039 1.00 22.49 S ATOM 725 N ALA A 95 16.989 33.174 20.643 1.00 26.18 N ATOM 726 CA ALA A 95 16.348 33.100 19.317 1.00 20.32 C ATOM 727 C ALA A 95 17.223 32.388 18.298 1.00 21.15 C ATOM 728 O ALA A 95 16.791 31.477 17.570 1.00 22.21 O ATOM 729 CB ALA A 95 16.110 34.520 18.828 1.00 20.01 C ATOM 730 N LYS A 96 18.472 32.823 18.303 1.00 19.48 N ATOM 731 CA LYS A 96 19.522 32.303 17.422 1.00 19.63 C ATOM 732 C LYS A 96 19.830 30.846 17.701 1.00 21.70 C ATOM 733 O LYS A 96 20.442 30.200 16.819 1.00 22.57 O ATOM 734 CB LYS A 96 20.793 33.143 17.473 1.00 18.44 C ATOM 735 CG LYS A 96 20.671 34.651 17.232 1.00 15.31 C ATOM 736 CD LYS A 96 21.974 35.346 17.585 1.00 15.38 C ATOM 737 CE LYS A 96 21.908 36.854 17.463 1.00 19.87 C ATOM 738 NZ LYS A 96 23.132 37.460 18.058 1.00 25.35 N ATOM 739 N LYS A 97 19.479 30.298 18.856 1.00 22.22 N ATOM 740 CA LYS A 97 19.755 28.857 19.103 1.00 21.94 C ATOM 741 C LYS A 97 18.518 28.052 18.656 1.00 21.99 C ATOM 742 O LYS A 97 18.464 26.846 18.375 1.00 19.19 O ATOM 743 CB LYS A 97 20.089 28.540 20.548 1.00 24.12 C ATOM 744 CG LYS A 97 20.044 27.026 20.771 1.00 26.96 C ATOM 745 CD LYS A 97 20.372 26.622 22.191 1.00 27.98 C ATOM 746 CE LYS A 97 20.311 25.129 22.436 1.00 28.38 C ATOM 747 NZ LYS A 97 21.659 24.541 22.642 1.00 30.87 N ATOM 748 N ILE A 98 17.437 28.813 18.613 1.00 19.65 N ATOM 749 CA ILE A 98 16.118 28.338 18.220 1.00 21.04 C ATOM 750 C ILE A 98 16.251 28.223 16.712 1.00 20.18 C ATOM 751 O ILE A 98 16.248 27.091 16.205 1.00 16.85 O ATOM 752 CB ILE A 98 14.990 29.266 18.743 1.00 16.61 C ATOM 753 CG1 ILE A 98 14.994 29.246 20.286 1.00 15.34 C ATOM 754 CG2 ILE A 98 13.594 28.841 18.249 1.00 27.22 C ATOM 755 CD1 ILE A 98 14.297 30.470 20.917 1.00 14.33 C ATOM 756 N VAL A 99 16.438 29.381 16.100 1.00 20.32 N ATOM 757 CA VAL A 99 16.592 29.424 14.633 1.00 24.87 C ATOM 758 C VAL A 99 17.520 28.326 14.112 1.00 28.72 C ATOM 759 O VAL A 99 17.186 27.683 13.102 1.00 35.58 O ATOM 760 CB VAL A 99 17.084 30.753 14.041 1.00 11.69 C ATOM 761 CG1 VAL A 99 17.859 30.460 12.780 1.00 20.62 C ATOM 762 CG2 VAL A 99 15.939 31.701 13.739 1.00 11.22 C ATOM 763 N SER A 100 18.643 28.141 14.765 1.00 32.91 N ATOM 764 CA SER A 100 19.653 27.143 14.432 1.00 34.16 C ATOM 765 C SER A 100 19.274 25.669 14.448 1.00 36.12 C ATOM 766 O SER A 100 20.223 24.914 14.116 1.00 37.15 O ATOM 767 CB SER A 100 20.833 27.268 15.388 1.00 29.60 C ATOM 768 OG SER A 100 21.636 28.380 15.096 1.00 37.47 O ATOM 769 N ASP A 101 18.079 25.228 14.789 1.00 39.43 N ATOM 770 CA ASP A 101 17.793 23.770 14.793 1.00 40.42 C ATOM 771 C ASP A 101 16.548 23.493 13.949 1.00 41.53 C ATOM 772 O ASP A 101 15.458 23.892 14.389 1.00 45.17 O ATOM 773 CB ASP A 101 17.682 23.232 16.215 1.00 40.39 C ATOM 774 CG ASP A 101 17.483 21.730 16.285 1.00 42.54 C ATOM 775 OD1 ASP A 101 18.171 20.936 15.630 1.00 33.36 O ATOM 776 OD2 ASP A 101 16.571 21.296 17.026 1.00 45.97 O ATOM 777 N GLY A 102 16.734 22.848 12.814 1.00 40.21 N ATOM 778 CA GLY A 102 15.673 22.482 11.888 1.00 34.34 C ATOM 779 C GLY A 102 14.916 23.683 11.366 1.00 35.37 C ATOM 780 O GLY A 102 15.440 24.624 10.762 1.00 38.69 O ATOM 781 N ASN A 103 13.633 23.653 11.575 1.00 34.75 N ATOM 782 CA ASN A 103 12.589 24.582 11.204 1.00 33.77 C ATOM 783 C ASN A 103 12.935 26.056 11.081 1.00 30.44 C ATOM 784 O ASN A 103 11.961 26.795 10.811 1.00 30.62 O ATOM 785 CB ASN A 103 11.393 24.376 12.166 1.00 36.21 C ATOM 786 CG ASN A 103 11.701 23.770 13.516 1.00 38.96 C ATOM 787 OD1 ASN A 103 11.593 22.534 13.672 1.00 37.05 O ATOM 788 ND2 ASN A 103 12.062 24.603 14.503 1.00 32.71 N ATOM 789 N GLY A 104 14.132 26.553 11.215 1.00 28.10 N ATOM 790 CA GLY A 104 14.376 28.010 11.092 1.00 24.30 C ATOM 791 C GLY A 104 13.298 28.763 11.863 1.00 22.15 C ATOM 792 O GLY A 104 12.849 28.332 12.931 1.00 17.33 O ATOM 793 N MET A 105 12.859 29.893 11.355 1.00 25.22 N ATOM 794 CA MET A 105 11.836 30.775 11.918 1.00 23.47 C ATOM 795 C MET A 105 10.408 30.259 11.826 1.00 25.10 C ATOM 796 O MET A 105 9.510 30.945 12.326 1.00 22.85 O ATOM 797 CB MET A 105 11.896 32.177 11.315 1.00 25.01 C ATOM 798 CG MET A 105 12.393 33.125 12.377 1.00 25.24 C ATOM 799 SD MET A 105 12.697 34.716 11.584 1.00 27.08 S ATOM 800 CE MET A 105 12.170 35.859 12.852 1.00 24.85 C ATOM 801 N ASN A 106 10.199 29.106 11.238 1.00 27.89 N ATOM 802 CA ASN A 106 8.960 28.360 11.029 1.00 32.34 C ATOM 803 C ASN A 106 8.515 27.681 12.346 1.00 33.32 C ATOM 804 O ASN A 106 7.542 26.930 12.425 1.00 32.64 O ATOM 805 CB ASN A 106 9.087 27.281 9.945 1.00 31.81 C ATOM 806 CG ASN A 106 9.847 27.615 8.659 1.00 34.53 C ATOM 807 OD1 ASN A 106 10.255 26.702 7.939 1.00 33.91 O ATOM 808 ND2 ASN A 106 10.064 28.868 8.314 1.00 23.28 N ATOM 809 N ALA A 107 9.278 27.954 13.368 1.00 35.68 N ATOM 810 CA ALA A 107 9.293 27.586 14.756 1.00 35.27 C ATOM 811 C ALA A 107 8.662 28.634 15.681 1.00 33.23 C ATOM 812 O ALA A 107 8.500 28.410 16.883 1.00 33.28 O ATOM 813 CB ALA A 107 10.746 27.364 15.195 1.00 36.75 C ATOM 814 N TRP A 108 8.323 29.754 15.111 1.00 31.95 N ATOM 815 CA TRP A 108 7.639 30.927 15.593 1.00 32.04 C ATOM 816 C TRP A 108 6.306 30.938 14.834 1.00 35.54 C ATOM 817 O TRP A 108 6.061 31.779 13.949 1.00 38.28 O ATOM 818 CB TRP A 108 8.384 32.244 15.351 1.00 33.69 C ATOM 819 CG TRP A 108 9.425 32.434 16.400 1.00 38.82 C ATOM 820 CD1 TRP A 108 9.232 32.812 17.701 1.00 38.77 C ATOM 821 CD2 TRP A 108 10.831 32.202 16.256 1.00 36.67 C ATOM 822 NE1 TRP A 108 10.436 32.816 18.367 1.00 39.68 N ATOM 823 CE2 TRP A 108 11.429 32.457 17.504 1.00 37.71 C ATOM 824 CE3 TRP A 108 11.618 31.807 15.193 1.00 36.32 C ATOM 825 CZ2 TRP A 108 12.788 32.328 17.702 1.00 35.62 C ATOM 826 CZ3 TRP A 108 12.975 31.684 15.397 1.00 39.53 C ATOM 827 CH2 TRP A 108 13.556 31.938 16.624 1.00 35.71 C ATOM 828 N VAL A 109 5.446 29.980 15.119 1.00 35.90 N ATOM 829 CA VAL A 109 4.135 29.810 14.473 1.00 32.44 C ATOM 830 C VAL A 109 3.562 31.077 13.859 1.00 27.60 C ATOM 831 O VAL A 109 2.808 30.829 12.906 1.00 31.08 O ATOM 832 CB VAL A 109 3.086 29.199 15.440 1.00 31.89 C ATOM 833 CG1 VAL A 109 3.143 29.823 16.830 1.00 31.35 C ATOM 834 CG2 VAL A 109 1.673 29.315 14.896 1.00 34.94 C ATOM 835 N ALA A 110 3.807 32.273 14.332 1.00 22.39 N ATOM 836 CA ALA A 110 3.241 33.494 13.759 1.00 21.31 C ATOM 837 C ALA A 110 4.131 34.086 12.662 1.00 25.41 C ATOM 838 O ALA A 110 3.703 35.074 12.028 1.00 24.01 O ATOM 839 CB ALA A 110 2.959 34.609 14.754 1.00 20.83 C ATOM 840 N TRP A 111 5.300 33.507 12.458 1.00 26.23 N ATOM 841 CA TRP A 111 6.182 34.028 11.401 1.00 27.34 C ATOM 842 C TRP A 111 5.785 33.209 10.171 1.00 29.55 C ATOM 843 O TRP A 111 5.739 33.776 9.070 1.00 30.48 O ATOM 844 CB TRP A 111 7.657 34.020 11.707 1.00 27.67 C ATOM 845 CG TRP A 111 8.484 34.185 10.471 1.00 31.57 C ATOM 846 CD1 TRP A 111 9.073 35.309 9.968 1.00 29.23 C ATOM 847 CD2 TRP A 111 8.804 33.118 9.562 1.00 30.38 C ATOM 848 NE1 TRP A 111 9.728 35.012 8.799 1.00 30.20 N ATOM 849 CE2 TRP A 111 9.567 33.674 8.527 1.00 30.03 C ATOM 850 CE3 TRP A 111 8.483 31.769 9.543 1.00 35.89 C ATOM 851 CZ2 TRP A 111 10.040 32.906 7.482 1.00 34.03 C ATOM 852 CZ3 TRP A 111 8.954 31.008 8.495 1.00 37.76 C ATOM 853 CH2 TRP A 111 9.721 31.563 7.480 1.00 34.45 C ATOM 854 N ARG A 112 5.475 31.956 10.406 1.00 30.02 N ATOM 855 CA ARG A 112 5.000 31.070 9.307 1.00 31.13 C ATOM 856 C ARG A 112 3.482 31.138 9.438 1.00 30.36 C ATOM 857 O ARG A 112 2.928 30.248 10.102 1.00 35.11 O ATOM 858 CB ARG A 112 5.488 29.671 9.509 1.00 35.87 C ATOM 859 CG ARG A 112 5.999 28.833 8.362 1.00 35.80 C ATOM 860 CD ARG A 112 6.162 27.404 8.908 1.00 41.24 C ATOM 861 NE ARG A 112 6.985 26.496 8.123 1.00 47.52 N ATOM 862 CZ ARG A 112 6.532 25.830 7.067 1.00 48.81 C ATOM 863 NH1 ARG A 112 5.274 25.996 6.635 1.00 51.91 N ATOM 864 NH2 ARG A 112 7.261 24.940 6.383 1.00 42.17 N ATOM 865 N ASN A 113 2.824 32.130 8.914 1.00 26.18 N ATOM 866 CA ASN A 113 1.376 32.315 9.041 1.00 31.49 C ATOM 867 C ASN A 113 1.037 33.807 8.862 1.00 32.85 C ATOM 868 O ASN A 113 -0.132 34.146 8.621 1.00 32.55 O ATOM 869 CB ASN A 113 0.823 31.822 10.370 1.00 32.91 C ATOM 870 CG ASN A 113 0.347 30.400 10.517 1.00 36.73 C ATOM 871 OD1 ASN A 113 -0.227 30.016 11.554 1.00 35.12 O ATOM 872 ND2 ASN A 113 0.575 29.568 9.501 1.00 36.87 N ATOM 873 N ARG A 114 2.073 34.629 9.038 1.00 34.37 N ATOM 874 CA ARG A 114 1.928 36.086 8.919 1.00 31.98 C ATOM 875 C ARG A 114 3.036 36.836 8.214 1.00 30.86 C ATOM 876 O ARG A 114 2.745 37.996 7.850 1.00 32.22 O ATOM 877 CB ARG A 114 1.653 36.681 10.315 1.00 30.80 C ATOM 878 CG ARG A 114 0.378 36.113 10.946 1.00 35.71 C ATOM 879 CD ARG A 114 -0.301 37.125 11.808 1.00 38.06 C ATOM 880 NE ARG A 114 -0.202 38.424 11.151 1.00 41.89 N ATOM 881 CZ ARG A 114 -1.141 38.827 10.284 1.00 45.93 C ATOM 882 NH1 ARG A 114 -2.208 38.071 10.037 1.00 45.65 N ATOM 883 NH2 ARG A 114 -1.016 40.001 9.658 1.00 46.58 N ATOM 884 N CYS A 115 4.243 36.337 8.020 1.00 31.18 N ATOM 885 CA CYS A 115 5.296 37.097 7.335 1.00 26.62 C ATOM 886 C CYS A 115 6.020 36.224 6.317 1.00 25.26 C ATOM 887 O CYS A 115 6.757 36.843 5.536 1.00 29.52 O ATOM 888 CB CYS A 115 6.400 37.658 8.200 1.00 28.32 C ATOM 889 SG CYS A 115 5.896 38.069 9.869 1.00 23.09 S ATOM 890 N LYS A 116 5.875 34.924 6.423 1.00 24.52 N ATOM 891 CA LYS A 116 6.515 34.030 5.441 1.00 23.85 C ATOM 892 C LYS A 116 5.723 34.311 4.165 1.00 29.55 C ATOM 893 O LYS A 116 4.486 34.352 4.255 1.00 31.59 O ATOM 894 CB LYS A 116 6.368 32.557 5.690 1.00 19.54 C ATOM 895 CG LYS A 116 6.709 31.682 4.493 1.00 27.67 C ATOM 896 CD LYS A 116 6.884 30.214 4.829 1.00 25.95 C ATOM 897 CE LYS A 116 7.346 29.425 3.620 1.00 28.14 C ATOM 898 NZ LYS A 116 6.572 28.158 3.556 1.00 33.00 N ATOM 899 N GLY A 117 6.388 34.516 3.060 1.00 34.88 N ATOM 900 CA GLY A 117 5.655 34.813 1.818 1.00 39.66 C ATOM 901 C GLY A 117 5.390 36.303 1.650 1.00 42.52 C ATOM 902 O GLY A 117 5.078 36.672 0.491 1.00 45.27 O ATOM 903 N THR A 118 5.492 37.143 2.661 1.00 38.06 N ATOM 904 CA THR A 118 5.241 38.570 2.424 1.00 41.29 C ATOM 905 C THR A 118 6.583 39.283 2.213 1.00 41.56 C ATOM 906 O THR A 118 7.680 38.704 2.207 1.00 45.53 O ATOM 907 CB THR A 118 4.364 39.313 3.495 1.00 45.19 C ATOM 908 OG1 THR A 118 5.130 39.333 4.748 1.00 53.36 O ATOM 909 CG2 THR A 118 2.968 38.727 3.719 1.00 43.28 C ATOM 910 N ASP A 119 6.439 40.579 2.045 1.00 41.50 N ATOM 911 CA ASP A 119 7.478 41.571 1.803 1.00 38.77 C ATOM 912 C ASP A 119 7.960 42.107 3.141 1.00 37.31 C ATOM 913 O ASP A 119 7.702 43.265 3.461 1.00 34.05 O ATOM 914 CB ASP A 119 6.926 42.694 0.909 1.00 41.63 C ATOM 915 CG ASP A 119 6.200 42.062 -0.272 1.00 35.16 C ATOM 916 OD1 ASP A 119 5.042 41.636 -0.115 1.00 34.73 O ATOM 917 OD2 ASP A 119 6.839 41.985 -1.315 1.00 38.66 O ATOM 918 N VAL A 120 8.618 41.202 3.818 1.00 37.94 N ATOM 919 CA VAL A 120 9.213 41.359 5.133 1.00 36.28 C ATOM 920 C VAL A 120 10.082 42.590 5.312 1.00 39.22 C ATOM 921 O VAL A 120 9.917 43.421 6.227 1.00 40.19 O ATOM 922 CB VAL A 120 10.045 40.056 5.306 1.00 31.58 C ATOM 923 CG1 VAL A 120 9.169 38.903 5.758 1.00 29.84 C ATOM 924 CG2 VAL A 120 10.784 39.796 4.011 1.00 27.62 C ATOM 925 N GLN A 121 11.036 42.708 4.405 1.00 41.22 N ATOM 926 CA GLN A 121 12.032 43.793 4.409 1.00 40.28 C ATOM 927 C GLN A 121 11.427 45.174 4.268 1.00 37.01 C ATOM 928 O GLN A 121 12.038 46.039 3.625 1.00 39.27 O ATOM 929 CB GLN A 121 13.093 43.530 3.319 1.00 41.17 C ATOM 930 CG GLN A 121 14.343 44.347 3.585 1.00 41.78 C ATOM 931 CD GLN A 121 15.069 43.953 4.847 1.00 38.48 C ATOM 932 OE1 GLN A 121 15.573 44.749 5.631 1.00 39.17 O ATOM 933 NE2 GLN A 121 15.128 42.642 5.022 1.00 28.37 N ATOM 934 N ALA A 122 10.275 45.385 4.837 1.00 35.70 N ATOM 935 CA ALA A 122 9.532 46.643 4.781 1.00 35.80 C ATOM 936 C ALA A 122 9.269 47.089 6.218 1.00 36.68 C ATOM 937 O ALA A 122 9.083 48.254 6.537 1.00 36.13 O ATOM 938 CB ALA A 122 8.196 46.424 4.098 1.00 39.67 C ATOM 939 N TRP A 123 9.258 46.032 7.005 1.00 35.09 N ATOM 940 CA TRP A 123 9.058 46.076 8.449 1.00 33.61 C ATOM 941 C TRP A 123 10.157 46.956 9.051 1.00 35.71 C ATOM 942 O TRP A 123 9.904 47.702 9.999 1.00 34.60 O ATOM 943 CB TRP A 123 9.082 44.651 8.970 1.00 30.35 C ATOM 944 CG TRP A 123 7.783 43.951 8.908 1.00 29.99 C ATOM 945 CD1 TRP A 123 7.441 42.973 8.027 1.00 32.33 C ATOM 946 CD2 TRP A 123 6.631 44.173 9.735 1.00 34.09 C ATOM 947 NE1 TRP A 123 6.144 42.563 8.244 1.00 35.47 N ATOM 948 CE2 TRP A 123 5.628 43.280 9.285 1.00 36.09 C ATOM 949 CE3 TRP A 123 6.356 45.030 10.797 1.00 31.03 C ATOM 950 CZ2 TRP A 123 4.360 43.216 9.857 1.00 34.73 C ATOM 951 CZ3 TRP A 123 5.095 44.968 11.356 1.00 34.42 C ATOM 952 CH2 TRP A 123 4.116 44.088 10.900 1.00 29.40 C ATOM 953 N ILE A 124 11.320 46.871 8.458 1.00 35.18 N ATOM 954 CA ILE A 124 12.559 47.543 8.742 1.00 37.16 C ATOM 955 C ILE A 124 12.814 48.941 8.211 1.00 38.96 C ATOM 956 O ILE A 124 13.671 49.676 8.725 1.00 42.06 O ATOM 957 CB ILE A 124 13.685 46.627 8.072 1.00 39.23 C ATOM 958 CG1 ILE A 124 14.167 45.482 8.927 0.00 37.20 C ATOM 959 CG2 ILE A 124 14.927 47.425 7.668 0.00 37.23 C ATOM 960 CD1 ILE A 124 15.365 44.780 8.302 0.00 37.25 C ATOM 961 N ARG A 125 12.148 49.319 7.151 1.00 39.02 N ATOM 962 CA ARG A 125 12.201 50.546 6.382 1.00 36.05 C ATOM 963 C ARG A 125 11.536 51.786 6.943 1.00 34.75 C ATOM 964 O ARG A 125 10.325 51.760 7.189 1.00 36.31 O ATOM 965 CB ARG A 125 11.519 50.299 5.002 1.00 33.19 C ATOM 966 CG ARG A 125 12.210 49.209 4.199 1.00 30.28 C ATOM 967 CD ARG A 125 13.493 49.677 3.603 1.00 32.63 C ATOM 968 NE ARG A 125 14.069 48.602 2.807 1.00 35.65 N ATOM 969 CZ ARG A 125 15.181 47.963 3.177 1.00 35.84 C ATOM 970 NH1 ARG A 125 15.864 48.353 4.245 1.00 36.44 N ATOM 971 NH2 ARG A 125 15.618 46.926 2.473 1.00 33.01 N ATOM 972 N GLY A 126 12.303 52.852 7.090 1.00 35.38 N ATOM 973 CA GLY A 126 11.791 54.135 7.589 1.00 34.30 C ATOM 974 C GLY A 126 12.257 54.436 9.003 1.00 34.57 C ATOM 975 O GLY A 126 12.186 55.570 9.493 1.00 33.41 O ATOM 976 N CYS A 127 12.759 53.403 9.638 1.00 33.92 N ATOM 977 CA CYS A 127 13.271 53.381 11.000 1.00 33.62 C ATOM 978 C CYS A 127 14.688 53.912 11.115 1.00 35.38 C ATOM 979 O CYS A 127 15.364 53.672 12.129 1.00 33.13 O ATOM 980 CB CYS A 127 13.196 51.938 11.501 1.00 31.31 C ATOM 981 SG CYS A 127 11.486 51.374 11.429 1.00 33.17 S ATOM 982 N ARG A 128 15.056 54.631 10.084 1.00 37.05 N ATOM 983 CA ARG A 128 16.351 55.272 9.839 1.00 35.31 C ATOM 984 C ARG A 128 17.311 54.099 9.600 1.00 38.53 C ATOM 985 O ARG A 128 18.097 53.553 10.378 1.00 38.92 O ATOM 986 CB ARG A 128 16.772 56.314 10.849 1.00 38.43 C ATOM 987 CG ARG A 128 16.226 57.698 10.536 1.00 40.16 C ATOM 988 CD ARG A 128 16.096 57.941 9.038 1.00 44.16 C ATOM 989 NE ARG A 128 16.180 59.357 8.687 1.00 45.53 N ATOM 990 CZ ARG A 128 15.183 60.041 8.124 1.00 48.22 C ATOM 991 NH1 ARG A 128 14.015 59.447 7.838 1.00 49.06 N ATOM 992 NH2 ARG A 128 15.258 61.340 7.809 1.00 48.31 N ATOM 993 N LEU A 129 17.144 53.690 8.363 1.00 38.06 N ATOM 994 CA LEU A 129 17.727 52.608 7.604 1.00 37.13 C ATOM 995 C LEU A 129 16.707 52.388 6.475 1.00 36.74 C ATOM 996 O LEU A 129 16.485 51.182 6.293 1.00 38.47 O ATOM 997 CB LEU A 129 17.856 51.334 8.427 1.00 38.30 C ATOM 998 CG LEU A 129 18.032 49.991 7.754 1.00 38.00 C ATOM 999 CD1 LEU A 129 19.095 50.050 6.667 1.00 41.57 C ATOM 1000 CD2 LEU A 129 18.491 48.976 8.796 1.00 42.67 C ATOM 1001 OXT LEU A 129 16.209 53.396 5.969 1.00 36.72 O TER 1002 LEU A 129 HETATM 1003 O HOH A 450 15.705 61.176 12.140 1.00 18.68 O HETATM 1004 O HOH A 451 12.156 28.070 7.121 1.00 47.89 O HETATM 1005 O HOH A 452 24.526 36.328 14.758 1.00 24.92 O HETATM 1006 O HOH A 453 -0.299 41.385 18.971 1.00 30.30 O HETATM 1007 O HOH A 454 22.657 39.897 22.285 1.00 24.14 O HETATM 1008 O HOH A 455 7.301 35.129 -1.504 1.00 29.37 O HETATM 1009 O HOH A 456 0.073 39.995 24.096 1.00 40.85 O HETATM 1010 O HOH A 457 1.716 29.084 34.677 1.00 40.38 O HETATM 1011 O HOH A 458 11.038 42.816 17.842 1.00 48.50 O HETATM 1012 O HOH A 459 9.560 28.598 20.740 1.00 23.95 O HETATM 1013 O HOH A 460 21.133 24.946 17.346 1.00 21.45 O HETATM 1014 O HOH A 461 -2.141 43.495 8.942 1.00 25.39 O HETATM 1015 O HOH A 462 2.231 41.184 6.487 1.00 28.03 O HETATM 1016 O HOH A 463 16.320 51.884 19.216 1.00 41.51 O HETATM 1017 O HOH A 464 10.606 19.061 27.414 1.00 27.80 O HETATM 1018 O HOH A 465 16.301 49.837 10.267 1.00 24.21 O HETATM 1019 O HOH A 466 3.133 39.864 32.176 1.00 29.41 O HETATM 1020 O HOH A 467 13.848 19.132 34.633 1.00 31.88 O HETATM 1021 O HOH A 468 3.140 28.015 5.284 1.00 26.51 O HETATM 1022 O HOH A 469 25.725 26.302 14.578 1.00 26.04 O HETATM 1023 O HOH A 470 14.837 19.929 19.159 1.00 17.96 O HETATM 1024 O HOH A 471 9.413 24.352 5.295 1.00 26.30 O HETATM 1025 O HOH A 472 1.395 28.420 6.789 1.00 31.45 O HETATM 1026 O HOH A 473 15.119 22.195 35.924 1.00 24.45 O HETATM 1027 O HOH A 474 13.220 34.289 16.440 1.00 26.54 O HETATM 1028 O HOH A 475 13.709 37.900 17.219 1.00 53.30 O HETATM 1029 O HOH A 476 3.061 31.004 35.524 1.00 61.20 O HETATM 1030 O HOH A 477 19.738 21.245 28.605 1.00 34.06 O HETATM 1031 O HOH A 478 11.339 24.978 17.745 1.00 47.63 O HETATM 1032 O HOH A 479 9.309 37.156 1.610 1.00 28.76 O HETATM 1033 O HOH A 480 19.883 50.205 13.623 1.00 36.86 O HETATM 1034 O HOH A 481 0.340 47.723 16.627 1.00 22.85 O HETATM 1035 O HOH A 482 7.112 26.076 4.377 1.00 43.60 O HETATM 1036 O HOH A 483 8.315 26.016 17.319 1.00 45.55 O HETATM 1037 O HOH A 484 20.450 33.175 25.986 1.00 22.81 O HETATM 1038 O HOH A 485 21.361 31.167 26.429 1.00 31.46 O HETATM 1039 O HOH A 486 6.921 17.065 28.545 1.00 45.84 O HETATM 1040 O HOH A 487 5.084 19.576 31.778 1.00 37.50 O HETATM 1041 O HOH A 488 15.375 38.097 35.444 1.00 35.55 O HETATM 1042 O HOH A 489 -3.356 30.849 30.011 1.00 42.70 O HETATM 1043 O HOH A 490 -0.754 31.385 13.537 1.00 46.54 O HETATM 1044 O HOH A 491 1.416 26.679 13.326 1.00 40.37 O HETATM 1045 O HOH A 492 26.008 33.606 12.767 1.00 36.89 O HETATM 1046 O HOH A 493 22.382 51.914 10.505 1.00 28.18 O HETATM 1047 O HOH A 494 18.876 16.975 24.270 1.00 44.42 O HETATM 1048 O HOH A 495 18.721 50.461 20.982 1.00 22.65 O HETATM 1049 O HOH A 496 25.647 40.589 26.312 1.00 35.69 O HETATM 1050 O HOH A 497 12.369 17.857 24.334 1.00 30.30 O HETATM 1051 O HOH A 498 12.477 21.487 36.074 1.00 24.37 O HETATM 1052 O HOH A 499 -0.408 44.408 12.667 1.00 36.29 O HETATM 1053 O HOH A 500 -0.152 36.188 25.952 1.00 30.11 O HETATM 1054 O HOH A 501 0.046 42.290 23.532 1.00 32.10 O HETATM 1055 O HOH A 502 19.982 47.920 21.488 1.00 36.92 O HETATM 1056 O HOH A 503 6.082 30.476 21.561 1.00 21.09 O HETATM 1057 O HOH A 504 10.788 36.695 23.605 1.00 30.84 O HETATM 1058 O HOH A 505 13.318 43.352 24.895 1.00 25.77 O HETATM 1059 O HOH A 506 0.671 36.099 21.673 1.00 42.37 O HETATM 1060 O HOH A 507 0.482 26.938 8.571 1.00 32.50 O HETATM 1061 O HOH A 508 15.831 40.506 30.817 1.00 25.43 O HETATM 1062 O HOH A 509 14.433 33.679 4.277 1.00 50.24 O HETATM 1063 O HOH A 510 12.622 31.271 36.268 1.00 16.90 O HETATM 1064 O HOH A 511 5.271 26.488 12.031 1.00 42.26 O HETATM 1065 O HOH A 512 12.596 24.131 30.709 1.00 25.91 O HETATM 1066 O HOH A 513 17.674 26.336 11.182 1.00 36.04 O HETATM 1067 O HOH A 514 15.511 51.360 14.083 1.00 39.68 O HETATM 1068 O HOH A 515 15.647 40.397 35.216 1.00 45.66 O HETATM 1069 O HOH A 516 17.564 46.941 7.272 1.00 28.55 O HETATM 1070 O HOH A 517 11.489 40.088 26.761 1.00 53.64 O HETATM 1071 O HOH A 518 12.721 21.568 10.425 1.00 35.49 O HETATM 1072 O HOH A 519 11.884 39.336 17.549 1.00 42.36 O HETATM 1073 O HOH A 520 9.248 30.402 19.298 1.00 30.09 O HETATM 1074 O HOH A 521 12.595 54.831 18.143 1.00 49.59 O HETATM 1075 O HOH A 522 14.586 47.610 21.579 1.00 60.64 O HETATM 1076 O HOH A 523 6.230 23.055 29.728 1.00 48.99 O HETATM 1077 O HOH A 524 5.739 41.595 5.423 1.00 55.14 O HETATM 1078 O HOH A 525 0.493 38.487 20.564 1.00 53.84 O HETATM 1079 O HOH A 526 15.955 23.564 8.780 1.00 49.66 O HETATM 1080 O HOH A 527 13.659 47.352 26.872 1.00 48.80 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 289 0 0 6 5 0 4 6 1079 1 8 10 END