HEADER HYDROLASE 05-SEP-01 1JWR TITLE CRYSTAL STRUCTURE OF HUMAN LYSOZYME AT 100 K COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDRATION STRUCTURE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.HIGO,M.NAKASAKO REVDAT 4 24-FEB-09 1JWR 1 VERSN REVDAT 3 01-APR-03 1JWR 1 JRNL REVDAT 2 18-DEC-02 1JWR 1 REMARK REVDAT 1 19-SEP-01 1JWR 0 JRNL AUTH J.HIGO,M.NAKASAKO JRNL TITL HYDRATION STRUCTURE OF HUMAN LYSOZYME INVESTIGATED JRNL TITL 2 BY MOLECULAR DYNAMICS SIMULATION AND CRYOGENIC JRNL TITL 3 X-RAY CRYSTAL STRUCTURE ANALYSES: ON THE JRNL TITL 4 CORRELATION BETWEEN CRYSTAL WATER SITES, SOLVENT JRNL TITL 5 DENSITY, AND SOLVENT DIPOLE JRNL REF J.COMPUT.CHEM. V. 23 1323 2002 JRNL REFN ISSN 0192-8651 JRNL PMID 12214315 JRNL DOI 10.1002/JCC.10100 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 20297 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) : 0.178 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 11.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2236 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 : 1029 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 307 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL 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) : 0.02 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) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 2.24 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC 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 1JWR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-SEP-01. REMARK 100 THE RCSB ID CODE IS RCSB014274. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JAN-98 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU ULTRAX 18H REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NI FILTER REMARK 200 OPTICS : DOUBLE-FOCUSING PT-COATED REMARK 200 MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22814 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.4 REMARK 200 DATA REDUNDANCY : 8.070 REMARK 200 R MERGE (I) : 0.04800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 44.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.42 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.9 REMARK 200 DATA REDUNDANCY IN SHELL : 7.95 REMARK 200 R MERGE FOR SHELL (I) : 0.11500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 11.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1REX REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.24 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NACL, SODIUM ACETATE, PH 4.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 28.08500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.58500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.49000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.58500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.08500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.49000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 21 47.96 38.60 REMARK 500 HIS A 78 60.22 38.49 REMARK 500 CYS A 116 -43.86 -131.72 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 263 DISTANCE = 7.37 ANGSTROMS REMARK 525 HOH A 310 DISTANCE = 7.42 ANGSTROMS REMARK 525 HOH A 317 DISTANCE = 5.14 ANGSTROMS REMARK 525 HOH A 373 DISTANCE = 6.32 ANGSTROMS REMARK 525 HOH A 426 DISTANCE = 6.48 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1REX RELATED DB: PDB REMARK 900 1REX CONTAINS SAME PROTEIN DBREF 1JWR A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 2 HOH *307(H2 O) HELIX 1 1 GLU A 4 LEU A 15 1 12 HELIX 2 2 GLY A 19 ILE A 23 5 5 HELIX 3 3 SER A 24 GLY A 37 1 14 HELIX 4 4 SER A 80 GLN A 86 5 7 HELIX 5 5 ILE A 89 ARG A 101 1 13 HELIX 6 6 GLN A 104 ALA A 108 5 5 HELIX 7 7 TRP A 109 CYS A 116 1 8 HELIX 8 8 VAL A 121 GLN A 126 5 6 SHEET 1 A 3 THR A 43 TYR A 45 0 SHEET 2 A 3 THR A 52 TYR A 54 -1 O ASP A 53 N ASN A 44 SHEET 3 A 3 ILE A 59 ASN A 60 -1 O ILE A 59 N TYR A 54 SSBOND 1 CYS A 6 CYS A 128 1555 1555 2.04 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.04 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.04 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.03 CRYST1 56.170 60.980 33.170 90.00 90.00 90.00 P 21 21 21 4 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 0.017803 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016399 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030148 0.00000 ATOM 1 N LYS A 1 0.880 19.654 22.640 1.00 7.48 N ATOM 2 CA LYS A 1 1.349 20.417 21.434 1.00 7.71 C ATOM 3 C LYS A 1 2.640 19.830 20.877 1.00 7.14 C ATOM 4 O LYS A 1 3.392 19.186 21.611 1.00 7.05 O ATOM 5 CB LYS A 1 1.570 21.894 21.779 1.00 8.75 C ATOM 6 CG LYS A 1 2.717 22.184 22.734 1.00 9.00 C ATOM 7 CD LYS A 1 3.090 23.662 22.678 1.00 8.51 C ATOM 8 CE LYS A 1 3.836 23.977 21.402 1.00 9.16 C ATOM 9 NZ LYS A 1 3.946 25.426 21.117 1.00 10.55 N ATOM 10 N VAL A 2 2.816 19.938 19.562 1.00 7.33 N ATOM 11 CA VAL A 2 4.056 19.561 18.900 1.00 6.19 C ATOM 12 C VAL A 2 4.841 20.838 18.603 1.00 6.24 C ATOM 13 O VAL A 2 4.331 21.733 17.938 1.00 5.88 O ATOM 14 CB VAL A 2 3.775 18.813 17.564 1.00 6.65 C ATOM 15 CG1 VAL A 2 5.081 18.460 16.882 1.00 6.17 C ATOM 16 CG2 VAL A 2 2.974 17.537 17.837 1.00 6.87 C ATOM 17 N PHE A 3 5.970 21.016 19.293 1.00 5.81 N ATOM 18 CA PHE A 3 6.818 22.205 19.097 1.00 5.35 C ATOM 19 C PHE A 3 7.509 22.171 17.741 1.00 5.16 C ATOM 20 O PHE A 3 7.945 21.111 17.298 1.00 5.93 O ATOM 21 CB PHE A 3 7.910 22.294 20.172 1.00 5.35 C ATOM 22 CG PHE A 3 7.448 22.875 21.476 1.00 5.14 C ATOM 23 CD1 PHE A 3 6.822 22.074 22.417 1.00 5.10 C ATOM 24 CD2 PHE A 3 7.709 24.203 21.791 1.00 5.63 C ATOM 25 CE1 PHE A 3 6.455 22.587 23.645 1.00 5.78 C ATOM 26 CE2 PHE A 3 7.348 24.728 23.027 1.00 5.51 C ATOM 27 CZ PHE A 3 6.714 23.916 23.957 1.00 5.69 C ATOM 28 N GLU A 4 7.634 23.331 17.098 1.00 5.55 N ATOM 29 CA GLU A 4 8.648 23.531 16.054 1.00 5.80 C ATOM 30 C GLU A 4 10.046 23.529 16.698 1.00 6.75 C ATOM 31 O GLU A 4 10.215 23.966 17.841 1.00 6.73 O ATOM 32 CB GLU A 4 8.421 24.865 15.332 1.00 5.84 C ATOM 33 CG GLU A 4 9.325 25.088 14.113 1.00 5.31 C ATOM 34 CD GLU A 4 10.486 26.047 14.371 1.00 4.44 C ATOM 35 OE1 GLU A 4 10.298 27.003 15.173 1.00 2.00 O ATOM 36 OE2 GLU A 4 11.565 25.849 13.732 1.00 3.79 O ATOM 37 N ARG A 5 11.042 23.076 15.941 1.00 6.49 N ATOM 38 CA ARG A 5 12.402 22.916 16.441 1.00 6.00 C ATOM 39 C ARG A 5 12.958 24.160 17.130 1.00 5.59 C ATOM 40 O ARG A 5 13.235 24.143 18.324 1.00 5.63 O ATOM 41 CB ARG A 5 13.306 22.517 15.279 1.00 6.01 C ATOM 42 CG ARG A 5 14.764 22.367 15.641 1.00 6.55 C ATOM 43 CD ARG A 5 15.588 21.881 14.462 1.00 7.30 C ATOM 44 NE ARG A 5 15.666 22.867 13.385 1.00 8.53 N ATOM 45 CZ ARG A 5 16.569 23.843 13.316 1.00 8.81 C ATOM 46 NH1 ARG A 5 16.549 24.673 12.283 1.00 9.01 N ATOM 47 NH2 ARG A 5 17.497 23.982 14.261 1.00 8.87 N ATOM 48 N CYS A 6 13.036 25.270 16.404 1.00 5.38 N ATOM 49 CA CYS A 6 13.623 26.471 16.993 1.00 5.62 C ATOM 50 C CYS A 6 12.791 27.115 18.102 1.00 5.33 C ATOM 51 O CYS A 6 13.353 27.694 19.040 1.00 5.62 O ATOM 52 CB CYS A 6 13.939 27.510 15.914 1.00 5.98 C ATOM 53 SG CYS A 6 15.395 27.015 14.936 1.00 5.87 S ATOM 54 N GLU A 7 11.463 27.019 17.996 1.00 5.41 N ATOM 55 CA GLU A 7 10.574 27.470 19.059 1.00 5.46 C ATOM 56 C GLU A 7 10.873 26.737 20.377 1.00 5.27 C ATOM 57 O GLU A 7 11.069 27.360 21.421 1.00 5.96 O ATOM 58 CB GLU A 7 9.101 27.229 18.656 1.00 4.83 C ATOM 59 CG GLU A 7 8.150 26.996 19.838 1.00 5.50 C ATOM 60 CD GLU A 7 6.710 26.688 19.452 1.00 5.48 C ATOM 61 OE1 GLU A 7 6.443 25.805 18.607 1.00 2.03 O ATOM 62 OE2 GLU A 7 5.822 27.263 20.103 1.00 8.71 O ATOM 63 N LEU A 8 11.079 25.428 20.291 1.00 4.35 N ATOM 64 CA LEU A 8 11.422 24.663 21.474 1.00 4.41 C ATOM 65 C LEU A 8 12.774 25.075 22.041 1.00 4.78 C ATOM 66 O LEU A 8 12.932 25.185 23.267 1.00 4.66 O ATOM 67 CB LEU A 8 11.423 23.179 21.156 1.00 4.51 C ATOM 68 CG LEU A 8 11.802 22.283 22.330 1.00 4.34 C ATOM 69 CD1 LEU A 8 10.819 22.502 23.486 1.00 3.68 C ATOM 70 CD2 LEU A 8 11.793 20.838 21.880 1.00 4.38 C ATOM 71 N ALA A 9 13.754 25.270 21.159 1.00 4.68 N ATOM 72 CA ALA A 9 15.105 25.625 21.593 1.00 4.62 C ATOM 73 C ALA A 9 15.102 26.908 22.408 1.00 5.15 C ATOM 74 O ALA A 9 15.687 26.959 23.494 1.00 5.18 O ATOM 75 CB ALA A 9 16.069 25.763 20.383 1.00 5.04 C ATOM 76 N ARG A 10 14.363 27.905 21.938 1.00 4.45 N ATOM 77 CA ARG A 10 14.225 29.142 22.686 1.00 5.40 C ATOM 78 C ARG A 10 13.436 28.970 23.988 1.00 4.96 C ATOM 79 O ARG A 10 13.762 29.584 25.002 1.00 5.90 O ATOM 80 CB ARG A 10 13.581 30.223 21.816 1.00 5.78 C ATOM 81 CG ARG A 10 14.488 30.691 20.710 1.00 7.03 C ATOM 82 CD ARG A 10 13.885 31.858 19.944 1.00 8.09 C ATOM 83 NE ARG A 10 12.675 31.478 19.238 1.00 7.71 N ATOM 84 CZ ARG A 10 12.645 31.084 17.966 1.00 7.84 C ATOM 85 NH1 ARG A 10 11.495 30.785 17.384 1.00 8.60 N ATOM 86 NH2 ARG A 10 13.775 30.944 17.294 1.00 9.55 N ATOM 87 N THR A 11 12.413 28.119 23.959 1.00 5.11 N ATOM 88 CA THR A 11 11.608 27.821 25.152 1.00 5.15 C ATOM 89 C THR A 11 12.456 27.175 26.261 1.00 5.56 C ATOM 90 O THR A 11 12.422 27.605 27.418 1.00 4.85 O ATOM 91 CB THR A 11 10.430 26.882 24.805 1.00 5.79 C ATOM 92 OG1 THR A 11 9.603 27.496 23.811 1.00 6.36 O ATOM 93 CG2 THR A 11 9.577 26.597 26.039 1.00 7.06 C ATOM 94 N LEU A 12 13.258 26.182 25.888 1.00 5.71 N ATOM 95 CA LEU A 12 14.179 25.548 26.816 1.00 5.73 C ATOM 96 C LEU A 12 15.256 26.509 27.317 1.00 5.69 C ATOM 97 O LEU A 12 15.638 26.448 28.482 1.00 6.17 O ATOM 98 CB LEU A 12 14.857 24.352 26.148 1.00 6.24 C ATOM 99 CG LEU A 12 13.999 23.138 25.802 1.00 6.96 C ATOM 100 CD1 LEU A 12 14.874 22.152 25.016 1.00 8.06 C ATOM 101 CD2 LEU A 12 13.476 22.503 27.066 1.00 6.88 C ATOM 102 N LYS A 13 15.754 27.390 26.449 1.00 5.47 N ATOM 103 CA LYS A 13 16.756 28.358 26.887 1.00 6.06 C ATOM 104 C LYS A 13 16.180 29.297 27.944 1.00 5.86 C ATOM 105 O LYS A 13 16.813 29.534 28.975 1.00 6.25 O ATOM 106 CB LYS A 13 17.288 29.189 25.717 1.00 7.07 C ATOM 107 CG LYS A 13 18.498 30.010 26.120 1.00 9.56 C ATOM 108 CD LYS A 13 19.220 30.569 24.944 1.00 10.75 C ATOM 109 CE LYS A 13 20.607 31.035 25.385 1.00 13.66 C ATOM 110 NZ LYS A 13 21.166 32.039 24.451 1.00 16.65 N ATOM 111 N ARG A 14 14.957 29.777 27.733 1.00 5.85 N ATOM 112 CA ARG A 14 14.320 30.658 28.718 1.00 7.13 C ATOM 113 C ARG A 14 14.146 29.965 30.061 1.00 6.92 C ATOM 114 O ARG A 14 14.192 30.615 31.108 1.00 7.70 O ATOM 115 CB ARG A 14 12.963 31.128 28.211 1.00 8.06 C ATOM 116 CG ARG A 14 13.033 32.215 27.159 1.00 10.59 C ATOM 117 CD ARG A 14 11.640 32.728 26.826 1.00 12.74 C ATOM 118 NE ARG A 14 11.338 32.624 25.401 1.00 14.54 N ATOM 119 CZ ARG A 14 10.461 31.767 24.876 1.00 15.89 C ATOM 120 NH1 ARG A 14 10.269 31.753 23.564 1.00 15.45 N ATOM 121 NH2 ARG A 14 9.782 30.921 25.651 1.00 15.90 N ATOM 122 N LEU A 15 14.010 28.638 30.024 1.00 6.55 N ATOM 123 CA LEU A 15 13.735 27.844 31.226 1.00 6.22 C ATOM 124 C LEU A 15 15.010 27.371 31.924 1.00 6.28 C ATOM 125 O LEU A 15 14.949 26.553 32.845 1.00 6.23 O ATOM 126 CB LEU A 15 12.870 26.629 30.869 1.00 6.31 C ATOM 127 CG LEU A 15 11.389 26.928 30.665 1.00 6.37 C ATOM 128 CD1 LEU A 15 10.671 25.784 29.948 1.00 5.62 C ATOM 129 CD2 LEU A 15 10.778 27.183 32.021 1.00 7.74 C ATOM 130 N GLY A 16 16.158 27.817 31.413 1.00 5.67 N ATOM 131 CA GLY A 16 17.430 27.578 32.084 1.00 6.99 C ATOM 132 C GLY A 16 18.109 26.253 31.793 1.00 6.25 C ATOM 133 O GLY A 16 18.905 25.767 32.600 1.00 7.18 O ATOM 134 N MET A 17 17.788 25.654 30.657 1.00 6.16 N ATOM 135 CA MET A 17 18.317 24.334 30.325 1.00 6.17 C ATOM 136 C MET A 17 19.702 24.355 29.677 1.00 7.25 C ATOM 137 O MET A 17 20.371 23.318 29.590 1.00 6.92 O ATOM 138 CB MET A 17 17.333 23.599 29.417 1.00 6.51 C ATOM 139 CG MET A 17 16.074 23.175 30.144 1.00 5.88 C ATOM 140 SD MET A 17 16.434 21.831 31.281 1.00 7.93 S ATOM 141 CE MET A 17 15.797 20.459 30.322 1.00 7.60 C ATOM 142 N ASP A 18 20.120 25.512 29.174 1.00 8.06 N ATOM 143 CA ASP A 18 21.389 25.578 28.474 1.00 9.77 C ATOM 144 C ASP A 18 22.579 25.427 29.408 1.00 9.13 C ATOM 145 O ASP A 18 22.880 26.308 30.221 1.00 9.42 O ATOM 146 CB ASP A 18 21.517 26.878 27.700 1.00 11.93 C ATOM 147 CG ASP A 18 22.693 26.872 26.755 1.00 15.11 C ATOM 148 OD1 ASP A 18 23.170 25.774 26.368 1.00 15.84 O ATOM 149 OD2 ASP A 18 23.096 27.984 26.344 1.00 18.82 O ATOM 150 N GLY A 19 23.172 24.247 29.379 1.00 8.02 N ATOM 151 CA GLY A 19 24.321 23.990 30.217 1.00 7.18 C ATOM 152 C GLY A 19 23.952 23.513 31.604 1.00 7.76 C ATOM 153 O GLY A 19 24.822 23.440 32.469 1.00 7.14 O ATOM 154 N TYR A 20 22.664 23.253 31.852 1.00 6.99 N ATOM 155 CA TYR A 20 22.261 22.734 33.152 1.00 6.70 C ATOM 156 C TYR A 20 23.002 21.432 33.456 1.00 7.10 C ATOM 157 O TYR A 20 22.944 20.469 32.670 1.00 6.67 O ATOM 158 CB TYR A 20 20.738 22.511 33.218 1.00 7.28 C ATOM 159 CG TYR A 20 20.263 22.137 34.614 1.00 6.64 C ATOM 160 CD1 TYR A 20 20.186 23.095 35.619 1.00 6.54 C ATOM 161 CD2 TYR A 20 20.049 20.803 34.965 1.00 6.79 C ATOM 162 CE1 TYR A 20 19.920 22.738 36.930 1.00 8.35 C ATOM 163 CE2 TYR A 20 19.789 20.436 36.281 1.00 8.54 C ATOM 164 CZ TYR A 20 19.726 21.411 37.255 1.00 7.49 C ATOM 165 OH TYR A 20 19.479 21.070 38.564 1.00 10.31 O ATOM 166 N ARG A 21 23.700 21.412 34.594 1.00 7.41 N ATOM 167 CA ARG A 21 24.620 20.335 34.969 1.00 7.74 C ATOM 168 C ARG A 21 25.436 19.780 33.805 1.00 7.33 C ATOM 169 O ARG A 21 25.580 18.570 33.626 1.00 6.84 O ATOM 170 CB ARG A 21 23.875 19.232 35.737 1.00 8.94 C ATOM 171 CG ARG A 21 23.547 19.703 37.162 1.00 12.50 C ATOM 172 CD ARG A 21 22.996 18.630 38.072 1.00 13.82 C ATOM 173 NE ARG A 21 23.920 17.528 38.326 1.00 14.43 N ATOM 174 CZ ARG A 21 24.941 17.567 39.184 1.00 15.50 C ATOM 175 NH1 ARG A 21 25.608 16.453 39.444 1.00 15.39 N ATOM 176 NH2 ARG A 21 25.348 18.717 39.720 1.00 13.53 N ATOM 177 N GLY A 22 26.008 20.712 33.047 1.00 6.46 N ATOM 178 CA GLY A 22 26.953 20.375 32.002 1.00 6.27 C ATOM 179 C GLY A 22 26.340 20.032 30.656 1.00 6.61 C ATOM 180 O GLY A 22 27.062 19.723 29.710 1.00 7.15 O ATOM 181 N ILE A 23 25.008 20.082 30.568 1.00 6.58 N ATOM 182 CA ILE A 23 24.294 19.611 29.380 1.00 5.76 C ATOM 183 C ILE A 23 23.871 20.756 28.458 1.00 5.49 C ATOM 184 O ILE A 23 22.999 21.557 28.800 1.00 5.14 O ATOM 185 CB ILE A 23 23.033 18.820 29.768 1.00 5.97 C ATOM 186 CG1 ILE A 23 23.402 17.681 30.728 1.00 5.49 C ATOM 187 CG2 ILE A 23 22.338 18.285 28.503 1.00 5.77 C ATOM 188 CD1 ILE A 23 22.217 17.139 31.498 1.00 5.30 C ATOM 189 N SER A 24 24.448 20.787 27.261 1.00 5.27 N ATOM 190 CA SER A 24 24.138 21.818 26.273 1.00 5.66 C ATOM 191 C SER A 24 22.680 21.758 25.789 1.00 6.24 C ATOM 192 O SER A 24 22.068 20.683 25.737 1.00 6.14 O ATOM 193 CB SER A 24 25.053 21.670 25.058 1.00 5.96 C ATOM 194 OG SER A 24 24.750 20.474 24.341 1.00 6.27 O ATOM 195 N LEU A 25 22.178 22.896 25.314 1.00 6.11 N ATOM 196 CA LEU A 25 20.833 22.958 24.750 1.00 5.65 C ATOM 197 C LEU A 25 20.650 21.980 23.599 1.00 6.52 C ATOM 198 O LEU A 25 19.617 21.330 23.515 1.00 7.21 O ATOM 199 CB LEU A 25 20.550 24.392 24.274 1.00 6.58 C ATOM 200 CG LEU A 25 19.129 24.719 23.812 1.00 6.40 C ATOM 201 CD1 LEU A 25 18.158 24.468 24.953 1.00 6.20 C ATOM 202 CD2 LEU A 25 19.052 26.163 23.375 1.00 5.99 C ATOM 203 N ALA A 26 21.675 21.800 22.767 1.00 4.42 N ATOM 204 CA ALA A 26 21.568 20.881 21.644 1.00 5.24 C ATOM 205 C ALA A 26 21.404 19.423 22.088 1.00 4.95 C ATOM 206 O ALA A 26 20.663 18.668 21.462 1.00 5.87 O ATOM 207 CB ALA A 26 22.785 21.023 20.726 1.00 4.46 C ATOM 208 N ASN A 27 21.987 19.062 23.229 1.00 4.79 N ATOM 209 CA ASN A 27 21.751 17.730 23.776 1.00 4.95 C ATOM 210 C ASN A 27 20.309 17.548 24.267 1.00 4.41 C ATOM 211 O ASN A 27 19.712 16.488 24.056 1.00 5.41 O ATOM 212 CB ASN A 27 22.724 17.435 24.923 1.00 4.82 C ATOM 213 CG ASN A 27 24.033 16.863 24.432 1.00 4.58 C ATOM 214 OD1 ASN A 27 24.077 15.751 23.902 1.00 5.33 O ATOM 215 ND2 ASN A 27 25.096 17.641 24.539 1.00 4.95 N ATOM 216 N TRP A 28 19.748 18.577 24.903 1.00 4.46 N ATOM 217 CA TRP A 28 18.350 18.519 25.344 1.00 4.19 C ATOM 218 C TRP A 28 17.409 18.428 24.145 1.00 4.42 C ATOM 219 O TRP A 28 16.398 17.711 24.174 1.00 4.39 O ATOM 220 CB TRP A 28 17.978 19.751 26.190 1.00 5.07 C ATOM 221 CG TRP A 28 18.612 19.784 27.550 1.00 6.03 C ATOM 222 CD1 TRP A 28 19.540 20.687 27.997 1.00 6.19 C ATOM 223 CD2 TRP A 28 18.333 18.919 28.664 1.00 5.49 C ATOM 224 NE1 TRP A 28 19.848 20.442 29.313 1.00 6.27 N ATOM 225 CE2 TRP A 28 19.119 19.363 29.748 1.00 6.00 C ATOM 226 CE3 TRP A 28 17.484 17.821 28.855 1.00 5.81 C ATOM 227 CZ2 TRP A 28 19.082 18.752 30.999 1.00 5.63 C ATOM 228 CZ3 TRP A 28 17.462 17.209 30.094 1.00 5.44 C ATOM 229 CH2 TRP A 28 18.251 17.673 31.145 1.00 5.93 C ATOM 230 N MET A 29 17.731 19.193 23.105 1.00 4.13 N ATOM 231 CA MET A 29 16.963 19.159 21.865 1.00 4.75 C ATOM 232 C MET A 29 16.971 17.773 21.215 1.00 4.80 C ATOM 233 O MET A 29 15.926 17.245 20.839 1.00 4.66 O ATOM 234 CB MET A 29 17.507 20.206 20.878 1.00 3.72 C ATOM 235 CG MET A 29 17.178 21.632 21.277 1.00 4.50 C ATOM 236 SD MET A 29 15.413 22.023 21.119 1.00 5.49 S ATOM 237 CE MET A 29 15.148 21.730 19.414 1.00 6.85 C ATOM 238 N CYS A 30 18.158 17.194 21.091 1.00 4.87 N ATOM 239 CA CYS A 30 18.313 15.850 20.545 1.00 4.50 C ATOM 240 C CYS A 30 17.526 14.829 21.365 1.00 5.20 C ATOM 241 O CYS A 30 16.831 13.982 20.803 1.00 5.19 O ATOM 242 CB CYS A 30 19.795 15.473 20.542 1.00 6.23 C ATOM 243 SG CYS A 30 20.177 13.900 19.735 1.00 6.02 S ATOM 244 N LEU A 31 17.567 14.965 22.693 1.00 4.73 N ATOM 245 CA LEU A 31 16.735 14.125 23.567 1.00 5.73 C ATOM 246 C LEU A 31 15.230 14.260 23.272 1.00 5.56 C ATOM 247 O LEU A 31 14.537 13.256 23.065 1.00 6.00 O ATOM 248 CB LEU A 31 17.007 14.464 25.041 1.00 5.76 C ATOM 249 CG LEU A 31 16.146 13.687 26.045 1.00 5.75 C ATOM 250 CD1 LEU A 31 16.558 12.219 26.041 1.00 5.94 C ATOM 251 CD2 LEU A 31 16.278 14.309 27.433 1.00 6.54 C ATOM 252 N ALA A 32 14.727 15.492 23.227 1.00 4.98 N ATOM 253 CA ALA A 32 13.296 15.699 22.970 1.00 5.18 C ATOM 254 C ALA A 32 12.891 15.192 21.585 1.00 6.04 C ATOM 255 O ALA A 32 11.783 14.655 21.390 1.00 5.46 O ATOM 256 CB ALA A 32 12.956 17.178 23.098 1.00 5.65 C ATOM 257 N LYS A 33 13.783 15.384 20.612 1.00 6.23 N ATOM 258 CA LYS A 33 13.500 14.971 19.239 1.00 6.59 C ATOM 259 C LYS A 33 13.253 13.457 19.162 1.00 7.27 C ATOM 260 O LYS A 33 12.227 13.001 18.646 1.00 5.60 O ATOM 261 CB LYS A 33 14.664 15.369 18.320 1.00 8.71 C ATOM 262 CG LYS A 33 14.361 15.228 16.842 1.00 11.77 C ATOM 263 CD LYS A 33 14.687 13.836 16.351 1.00 14.05 C ATOM 264 CE LYS A 33 14.180 13.634 14.938 1.00 15.98 C ATOM 265 NZ LYS A 33 14.568 12.291 14.448 1.00 17.53 N ATOM 266 N TRP A 34 14.188 12.690 19.711 1.00 7.47 N ATOM 267 CA TRP A 34 14.131 11.238 19.610 1.00 7.83 C ATOM 268 C TRP A 34 13.176 10.584 20.598 1.00 7.75 C ATOM 269 O TRP A 34 12.643 9.505 20.332 1.00 8.92 O ATOM 270 CB TRP A 34 15.533 10.651 19.748 1.00 9.07 C ATOM 271 CG TRP A 34 16.386 10.952 18.550 1.00 8.89 C ATOM 272 CD1 TRP A 34 17.366 11.907 18.452 1.00 8.77 C ATOM 273 CD2 TRP A 34 16.254 10.381 17.245 1.00 10.18 C ATOM 274 NE1 TRP A 34 17.840 11.970 17.168 1.00 9.83 N ATOM 275 CE2 TRP A 34 17.171 11.040 16.405 1.00 10.07 C ATOM 276 CE3 TRP A 34 15.442 9.379 16.704 1.00 10.47 C ATOM 277 CZ2 TRP A 34 17.302 10.726 15.048 1.00 11.91 C ATOM 278 CZ3 TRP A 34 15.569 9.076 15.357 1.00 11.11 C ATOM 279 CH2 TRP A 34 16.493 9.742 14.546 1.00 11.64 C ATOM 280 N GLU A 35 12.944 11.229 21.729 1.00 7.26 N ATOM 281 CA GLU A 35 11.992 10.687 22.678 1.00 6.96 C ATOM 282 C GLU A 35 10.555 10.835 22.187 1.00 6.94 C ATOM 283 O GLU A 35 9.753 9.897 22.295 1.00 6.45 O ATOM 284 CB GLU A 35 12.128 11.374 24.038 1.00 7.42 C ATOM 285 CG GLU A 35 13.398 11.013 24.822 1.00 7.87 C ATOM 286 CD GLU A 35 13.471 9.555 25.295 1.00 8.25 C ATOM 287 OE1 GLU A 35 12.480 8.819 25.178 1.00 9.18 O ATOM 288 OE2 GLU A 35 14.544 9.129 25.749 1.00 7.79 O ATOM 289 N SER A 36 10.216 12.011 21.664 1.00 6.02 N ATOM 290 CA SER A 36 8.800 12.329 21.428 1.00 6.09 C ATOM 291 C SER A 36 8.494 13.030 20.112 1.00 6.19 C ATOM 292 O SER A 36 7.355 13.432 19.879 1.00 6.57 O ATOM 293 CB SER A 36 8.257 13.211 22.555 1.00 5.90 C ATOM 294 OG SER A 36 8.801 14.519 22.466 1.00 6.28 O ATOM 295 N GLY A 37 9.527 13.392 19.368 1.00 5.82 N ATOM 296 CA GLY A 37 9.304 14.262 18.231 1.00 5.87 C ATOM 297 C GLY A 37 8.819 15.633 18.660 1.00 5.80 C ATOM 298 O GLY A 37 8.003 16.224 17.972 1.00 7.25 O ATOM 299 N TYR A 38 9.302 16.117 19.806 1.00 5.33 N ATOM 300 CA TYR A 38 8.918 17.423 20.351 1.00 5.49 C ATOM 301 C TYR A 38 7.428 17.496 20.732 1.00 6.35 C ATOM 302 O TYR A 38 6.817 18.574 20.708 1.00 6.64 O ATOM 303 CB TYR A 38 9.231 18.545 19.344 1.00 6.28 C ATOM 304 CG TYR A 38 10.650 18.559 18.786 1.00 6.34 C ATOM 305 CD1 TYR A 38 11.752 18.362 19.610 1.00 5.09 C ATOM 306 CD2 TYR A 38 10.876 18.815 17.436 1.00 5.54 C ATOM 307 CE1 TYR A 38 13.044 18.427 19.106 1.00 5.80 C ATOM 308 CE2 TYR A 38 12.158 18.885 16.919 1.00 5.73 C ATOM 309 CZ TYR A 38 13.242 18.697 17.758 1.00 6.23 C ATOM 310 OH TYR A 38 14.528 18.805 17.251 1.00 6.52 O ATOM 311 N ASN A 39 6.862 16.367 21.142 1.00 6.55 N ATOM 312 CA ASN A 39 5.421 16.267 21.405 1.00 6.67 C ATOM 313 C ASN A 39 5.139 16.162 22.911 1.00 6.66 C ATOM 314 O ASN A 39 5.447 15.148 23.550 1.00 6.84 O ATOM 315 CB ASN A 39 4.884 15.042 20.654 1.00 6.17 C ATOM 316 CG ASN A 39 3.391 14.823 20.831 1.00 5.72 C ATOM 317 OD1 ASN A 39 2.671 15.641 21.408 1.00 5.86 O ATOM 318 ND2 ASN A 39 2.922 13.694 20.346 1.00 5.56 N ATOM 319 N THR A 40 4.456 17.158 23.461 1.00 5.66 N ATOM 320 CA THR A 40 4.184 17.161 24.903 1.00 5.06 C ATOM 321 C THR A 40 3.105 16.166 25.363 1.00 5.61 C ATOM 322 O THR A 40 3.023 15.856 26.558 1.00 7.36 O ATOM 323 CB THR A 40 3.755 18.566 25.413 1.00 5.11 C ATOM 324 OG1 THR A 40 2.540 18.950 24.759 1.00 5.47 O ATOM 325 CG2 THR A 40 4.819 19.616 25.098 1.00 5.05 C ATOM 326 N ARG A 41 2.233 15.737 24.454 1.00 3.96 N ATOM 327 CA ARG A 41 1.069 14.955 24.863 1.00 4.15 C ATOM 328 C ARG A 41 1.289 13.443 24.760 1.00 4.14 C ATOM 329 O ARG A 41 0.470 12.664 25.231 1.00 6.16 O ATOM 330 CB ARG A 41 -0.175 15.382 24.058 1.00 4.56 C ATOM 331 CG ARG A 41 -0.521 14.494 22.869 1.00 4.61 C ATOM 332 CD ARG A 41 -1.826 14.911 22.190 1.00 5.13 C ATOM 333 NE ARG A 41 -2.977 14.853 23.092 1.00 5.12 N ATOM 334 CZ ARG A 41 -3.637 13.743 23.414 1.00 5.47 C ATOM 335 NH1 ARG A 41 -4.683 13.812 24.227 1.00 5.80 N ATOM 336 NH2 ARG A 41 -3.287 12.573 22.895 1.00 4.92 N ATOM 337 N ALA A 42 2.448 13.041 24.247 1.00 4.69 N ATOM 338 CA ALA A 42 2.752 11.623 24.043 1.00 4.77 C ATOM 339 C ALA A 42 2.862 10.827 25.355 1.00 5.17 C ATOM 340 O ALA A 42 3.540 11.245 26.281 1.00 3.01 O ATOM 341 CB ALA A 42 4.045 11.477 23.231 1.00 5.81 C ATOM 342 N THR A 43 2.173 9.688 25.429 1.00 6.64 N ATOM 343 CA THR A 43 2.456 8.673 26.452 1.00 7.68 C ATOM 344 C THR A 43 2.786 7.332 25.794 1.00 8.60 C ATOM 345 O THR A 43 2.264 7.006 24.735 1.00 7.98 O ATOM 346 CB THR A 43 1.258 8.430 27.382 1.00 8.40 C ATOM 347 OG1 THR A 43 0.169 7.887 26.623 1.00 9.52 O ATOM 348 CG2 THR A 43 0.818 9.719 28.038 1.00 7.69 C ATOM 349 N ASN A 44 3.692 6.581 26.404 1.00 9.63 N ATOM 350 CA ASN A 44 4.040 5.253 25.900 1.00 10.85 C ATOM 351 C ASN A 44 4.080 4.237 27.036 1.00 10.84 C ATOM 352 O ASN A 44 4.809 4.411 28.020 1.00 10.46 O ATOM 353 CB ASN A 44 5.412 5.324 25.196 1.00 12.31 C ATOM 354 CG ASN A 44 6.031 3.951 24.923 1.00 13.26 C ATOM 355 OD1 ASN A 44 5.565 3.205 24.059 1.00 14.57 O ATOM 356 ND2 ASN A 44 7.153 3.666 25.574 1.00 14.44 N ATOM 357 N TYR A 45 3.214 3.237 26.933 1.00 11.01 N ATOM 358 CA TYR A 45 3.103 2.212 27.963 1.00 11.45 C ATOM 359 C TYR A 45 4.167 1.145 27.763 1.00 11.71 C ATOM 360 O TYR A 45 4.373 0.669 26.645 1.00 11.81 O ATOM 361 CB TYR A 45 1.719 1.569 27.922 1.00 11.76 C ATOM 362 CG TYR A 45 1.520 0.513 28.977 1.00 12.00 C ATOM 363 CD1 TYR A 45 1.589 0.840 30.317 1.00 12.09 C ATOM 364 CD2 TYR A 45 1.316 -0.814 28.631 1.00 13.21 C ATOM 365 CE1 TYR A 45 1.458 -0.116 31.296 1.00 12.89 C ATOM 366 CE2 TYR A 45 1.193 -1.790 29.610 1.00 12.93 C ATOM 367 CZ TYR A 45 1.262 -1.430 30.938 1.00 13.58 C ATOM 368 OH TYR A 45 1.110 -2.386 31.919 1.00 14.03 O ATOM 369 N ASN A 46 4.880 0.811 28.838 1.00 11.88 N ATOM 370 CA ASN A 46 5.855 -0.281 28.813 1.00 12.22 C ATOM 371 C ASN A 46 5.260 -1.536 29.442 1.00 11.83 C ATOM 372 O ASN A 46 5.262 -1.700 30.678 1.00 10.30 O ATOM 373 CB ASN A 46 7.122 0.108 29.567 1.00 14.23 C ATOM 374 CG ASN A 46 7.721 1.385 29.052 1.00 16.70 C ATOM 375 OD1 ASN A 46 8.039 1.489 27.870 1.00 19.17 O ATOM 376 ND2 ASN A 46 7.745 2.407 29.888 1.00 17.64 N ATOM 377 N ALA A 47 4.701 -2.383 28.584 1.00 10.46 N ATOM 378 CA ALA A 47 4.088 -3.643 29.009 1.00 11.26 C ATOM 379 C ALA A 47 5.048 -4.487 29.833 1.00 11.33 C ATOM 380 O ALA A 47 4.635 -5.161 30.763 1.00 11.20 O ATOM 381 CB ALA A 47 3.634 -4.441 27.789 1.00 11.05 C ATOM 382 N GLY A 48 6.336 -4.372 29.527 1.00 11.22 N ATOM 383 CA GLY A 48 7.338 -5.155 30.226 1.00 12.03 C ATOM 384 C GLY A 48 7.350 -4.966 31.732 1.00 11.27 C ATOM 385 O GLY A 48 7.397 -5.944 32.469 1.00 11.41 O ATOM 386 N ASP A 49 7.272 -3.724 32.196 1.00 11.31 N ATOM 387 CA ASP A 49 7.387 -3.485 33.638 1.00 11.31 C ATOM 388 C ASP A 49 6.224 -2.686 34.211 1.00 10.17 C ATOM 389 O ASP A 49 6.264 -2.256 35.354 1.00 10.68 O ATOM 390 CB ASP A 49 8.736 -2.818 33.960 1.00 11.47 C ATOM 391 CG ASP A 49 8.739 -1.324 33.697 1.00 12.63 C ATOM 392 OD1 ASP A 49 7.942 -0.849 32.869 1.00 13.22 O ATOM 393 OD2 ASP A 49 9.521 -0.616 34.364 1.00 14.43 O ATOM 394 N ARG A 50 5.202 -2.486 33.385 1.00 9.83 N ATOM 395 CA ARG A 50 3.975 -1.791 33.786 1.00 9.80 C ATOM 396 C ARG A 50 4.147 -0.306 34.099 1.00 10.52 C ATOM 397 O ARG A 50 3.258 0.319 34.672 1.00 10.64 O ATOM 398 CB ARG A 50 3.330 -2.486 34.981 1.00 8.76 C ATOM 399 CG ARG A 50 2.985 -3.934 34.740 1.00 8.54 C ATOM 400 CD ARG A 50 1.987 -4.403 35.777 1.00 8.34 C ATOM 401 NE ARG A 50 1.722 -5.832 35.666 1.00 8.59 N ATOM 402 CZ ARG A 50 0.886 -6.376 34.784 1.00 8.71 C ATOM 403 NH1 ARG A 50 0.717 -7.693 34.769 1.00 7.40 N ATOM 404 NH2 ARG A 50 0.162 -5.606 33.975 1.00 9.36 N ATOM 405 N SER A 51 5.227 0.289 33.612 1.00 9.33 N ATOM 406 CA SER A 51 5.413 1.720 33.775 1.00 8.85 C ATOM 407 C SER A 51 4.975 2.407 32.487 1.00 8.49 C ATOM 408 O SER A 51 4.784 1.750 31.465 1.00 9.22 O ATOM 409 CB SER A 51 6.877 2.031 34.070 1.00 9.58 C ATOM 410 OG SER A 51 7.666 1.813 32.921 1.00 9.67 O ATOM 411 N THR A 52 4.905 3.735 32.522 1.00 7.90 N ATOM 412 CA THR A 52 4.554 4.536 31.348 1.00 7.51 C ATOM 413 C THR A 52 5.531 5.723 31.238 1.00 6.12 C ATOM 414 O THR A 52 5.980 6.264 32.242 1.00 6.18 O ATOM 415 CB THR A 52 3.097 5.076 31.466 1.00 7.18 C ATOM 416 OG1 THR A 52 2.195 3.970 31.577 1.00 7.53 O ATOM 417 CG2 THR A 52 2.696 5.913 30.240 1.00 6.38 C ATOM 418 N ASP A 53 5.900 6.059 30.010 1.00 6.59 N ATOM 419 CA ASP A 53 6.680 7.256 29.722 1.00 6.50 C ATOM 420 C ASP A 53 5.771 8.423 29.319 1.00 6.53 C ATOM 421 O ASP A 53 4.847 8.246 28.516 1.00 7.26 O ATOM 422 CB ASP A 53 7.656 6.944 28.597 1.00 8.72 C ATOM 423 CG ASP A 53 8.583 5.808 28.943 1.00 10.33 C ATOM 424 OD1 ASP A 53 9.114 5.796 30.074 1.00 11.43 O ATOM 425 OD2 ASP A 53 8.822 4.962 28.060 1.00 14.32 O ATOM 426 N TYR A 54 6.074 9.620 29.817 1.00 5.08 N ATOM 427 CA TYR A 54 5.179 10.775 29.660 1.00 5.16 C ATOM 428 C TYR A 54 5.829 11.980 28.984 1.00 4.76 C ATOM 429 O TYR A 54 6.888 12.436 29.415 1.00 5.19 O ATOM 430 CB TYR A 54 4.664 11.208 31.032 1.00 4.85 C ATOM 431 CG TYR A 54 3.705 10.213 31.656 1.00 4.37 C ATOM 432 CD1 TYR A 54 4.169 9.159 32.449 1.00 4.97 C ATOM 433 CD2 TYR A 54 2.333 10.318 31.429 1.00 5.56 C ATOM 434 CE1 TYR A 54 3.273 8.225 33.004 1.00 5.90 C ATOM 435 CE2 TYR A 54 1.444 9.399 31.962 1.00 5.92 C ATOM 436 CZ TYR A 54 1.920 8.354 32.745 1.00 5.66 C ATOM 437 OH TYR A 54 1.025 7.439 33.229 1.00 7.25 O ATOM 438 N GLY A 55 5.149 12.544 27.998 1.00 4.44 N ATOM 439 CA GLY A 55 5.485 13.885 27.536 1.00 4.68 C ATOM 440 C GLY A 55 6.712 14.052 26.656 1.00 5.21 C ATOM 441 O GLY A 55 7.218 13.097 26.069 1.00 5.61 O ATOM 442 N ILE A 56 7.209 15.275 26.592 1.00 4.39 N ATOM 443 CA ILE A 56 8.175 15.635 25.564 1.00 4.92 C ATOM 444 C ILE A 56 9.546 14.951 25.790 1.00 5.22 C ATOM 445 O ILE A 56 10.252 14.620 24.840 1.00 5.55 O ATOM 446 CB ILE A 56 8.305 17.181 25.496 1.00 5.58 C ATOM 447 CG1 ILE A 56 8.986 17.600 24.199 1.00 6.09 C ATOM 448 CG2 ILE A 56 9.008 17.718 26.740 1.00 4.50 C ATOM 449 CD1 ILE A 56 8.718 19.055 23.857 1.00 7.99 C ATOM 450 N PHE A 57 9.856 14.628 27.039 1.00 5.76 N ATOM 451 CA PHE A 57 11.100 13.928 27.362 1.00 6.14 C ATOM 452 C PHE A 57 10.854 12.461 27.684 1.00 6.89 C ATOM 453 O PHE A 57 11.773 11.756 28.108 1.00 6.98 O ATOM 454 CB PHE A 57 11.779 14.588 28.568 1.00 6.17 C ATOM 455 CG PHE A 57 12.225 16.004 28.322 1.00 6.72 C ATOM 456 CD1 PHE A 57 13.107 16.298 27.292 1.00 7.31 C ATOM 457 CD2 PHE A 57 11.765 17.042 29.128 1.00 8.44 C ATOM 458 CE1 PHE A 57 13.528 17.599 27.079 1.00 8.65 C ATOM 459 CE2 PHE A 57 12.179 18.344 28.915 1.00 8.63 C ATOM 460 CZ PHE A 57 13.059 18.622 27.894 1.00 7.91 C ATOM 461 N GLN A 58 9.597 12.032 27.592 1.00 6.75 N ATOM 462 CA GLN A 58 9.213 10.661 27.895 1.00 6.59 C ATOM 463 C GLN A 58 9.778 10.210 29.236 1.00 6.81 C ATOM 464 O GLN A 58 10.478 9.198 29.340 1.00 8.13 O ATOM 465 CB GLN A 58 9.658 9.730 26.770 1.00 6.86 C ATOM 466 CG GLN A 58 8.853 9.904 25.506 1.00 7.67 C ATOM 467 CD GLN A 58 7.447 9.349 25.628 1.00 8.72 C ATOM 468 OE1 GLN A 58 7.240 8.145 25.501 1.00 10.21 O ATOM 469 NE2 GLN A 58 6.483 10.214 25.933 1.00 9.47 N ATOM 470 N ILE A 59 9.379 10.926 30.275 1.00 6.95 N ATOM 471 CA ILE A 59 9.829 10.661 31.632 1.00 8.11 C ATOM 472 C ILE A 59 9.024 9.538 32.294 1.00 7.97 C ATOM 473 O ILE A 59 7.805 9.445 32.125 1.00 6.81 O ATOM 474 CB ILE A 59 9.771 11.959 32.452 1.00 7.43 C ATOM 475 CG1 ILE A 59 10.867 12.899 31.948 1.00 7.91 C ATOM 476 CG2 ILE A 59 9.901 11.678 33.953 1.00 8.30 C ATOM 477 CD1 ILE A 59 10.904 14.261 32.634 1.00 9.73 C ATOM 478 N ASN A 60 9.738 8.614 32.932 1.00 7.97 N ATOM 479 CA ASN A 60 9.143 7.338 33.318 1.00 8.42 C ATOM 480 C ASN A 60 8.480 7.381 34.697 1.00 7.74 C ATOM 481 O ASN A 60 9.011 7.952 35.653 1.00 8.03 O ATOM 482 CB ASN A 60 10.207 6.229 33.270 1.00 9.70 C ATOM 483 CG ASN A 60 9.621 4.835 33.493 1.00 10.81 C ATOM 484 OD1 ASN A 60 9.665 4.307 34.605 1.00 11.19 O ATOM 485 ND2 ASN A 60 9.140 4.213 32.433 1.00 12.03 N ATOM 486 N SER A 61 7.335 6.717 34.793 1.00 8.32 N ATOM 487 CA SER A 61 6.537 6.727 36.016 1.00 8.98 C ATOM 488 C SER A 61 7.121 5.893 37.152 1.00 10.47 C ATOM 489 O SER A 61 6.628 5.963 38.276 1.00 9.78 O ATOM 490 CB SER A 61 5.126 6.211 35.739 1.00 8.33 C ATOM 491 OG SER A 61 5.207 4.878 35.259 1.00 8.01 O ATOM 492 N ARG A 62 8.045 4.991 36.848 1.00 11.13 N ATOM 493 CA ARG A 62 8.579 4.145 37.908 1.00 13.43 C ATOM 494 C ARG A 62 9.364 4.952 38.935 1.00 13.48 C ATOM 495 O ARG A 62 9.339 4.633 40.125 1.00 13.55 O ATOM 496 CB ARG A 62 9.473 3.042 37.345 1.00 13.58 C ATOM 497 CG ARG A 62 10.163 2.206 38.424 1.00 15.29 C ATOM 498 CD ARG A 62 10.506 0.808 37.924 1.00 16.80 C ATOM 499 NE ARG A 62 9.297 0.088 37.538 1.00 18.34 N ATOM 500 CZ ARG A 62 8.341 -0.276 38.391 1.00 17.96 C ATOM 501 NH1 ARG A 62 7.195 -0.753 37.932 1.00 18.26 N ATOM 502 NH2 ARG A 62 8.580 -0.284 39.694 1.00 19.11 N ATOM 503 N TYR A 63 10.074 5.972 38.466 1.00 12.80 N ATOM 504 CA TYR A 63 11.013 6.718 39.301 1.00 12.29 C ATOM 505 C TYR A 63 10.645 8.193 39.488 1.00 11.53 C ATOM 506 O TYR A 63 10.898 8.780 40.543 1.00 11.57 O ATOM 507 CB TYR A 63 12.424 6.620 38.701 1.00 13.51 C ATOM 508 CG TYR A 63 12.993 5.221 38.714 1.00 15.05 C ATOM 509 CD1 TYR A 63 13.407 4.636 39.906 1.00 15.62 C ATOM 510 CD2 TYR A 63 13.034 4.448 37.558 1.00 15.44 C ATOM 511 CE1 TYR A 63 13.835 3.320 39.950 1.00 16.23 C ATOM 512 CE2 TYR A 63 13.463 3.129 37.597 1.00 16.06 C ATOM 513 CZ TYR A 63 13.859 2.569 38.797 1.00 16.06 C ATOM 514 OH TYR A 63 14.238 1.243 38.865 1.00 16.88 O ATOM 515 N TRP A 64 10.024 8.788 38.473 1.00 9.98 N ATOM 516 CA TRP A 64 10.010 10.245 38.380 1.00 9.40 C ATOM 517 C TRP A 64 8.702 10.996 38.637 1.00 8.69 C ATOM 518 O TRP A 64 8.713 12.112 39.145 1.00 8.68 O ATOM 519 CB TRP A 64 10.618 10.658 37.039 1.00 8.40 C ATOM 520 CG TRP A 64 11.986 10.071 36.828 1.00 9.05 C ATOM 521 CD1 TRP A 64 12.328 9.068 35.954 1.00 9.10 C ATOM 522 CD2 TRP A 64 13.183 10.381 37.570 1.00 9.21 C ATOM 523 NE1 TRP A 64 13.660 8.745 36.107 1.00 8.71 N ATOM 524 CE2 TRP A 64 14.210 9.540 37.083 1.00 8.54 C ATOM 525 CE3 TRP A 64 13.485 11.298 38.584 1.00 9.13 C ATOM 526 CZ2 TRP A 64 15.518 9.589 37.573 1.00 10.44 C ATOM 527 CZ3 TRP A 64 14.794 11.346 39.075 1.00 9.78 C ATOM 528 CH2 TRP A 64 15.788 10.500 38.571 1.00 10.14 C ATOM 529 N CYS A 65 7.576 10.398 38.283 1.00 8.52 N ATOM 530 CA CYS A 65 6.295 11.049 38.516 1.00 8.20 C ATOM 531 C CYS A 65 5.296 10.003 38.982 1.00 8.48 C ATOM 532 O CYS A 65 5.497 8.818 38.724 1.00 8.88 O ATOM 533 CB CYS A 65 5.797 11.725 37.227 1.00 7.39 C ATOM 534 SG CYS A 65 5.463 10.619 35.812 1.00 7.42 S ATOM 535 N ASN A 66 4.228 10.434 39.657 1.00 7.41 N ATOM 536 CA ASN A 66 3.189 9.494 40.101 1.00 7.64 C ATOM 537 C ASN A 66 1.991 9.403 39.156 1.00 7.35 C ATOM 538 O ASN A 66 1.306 10.414 38.920 1.00 6.34 O ATOM 539 CB ASN A 66 2.667 9.867 41.496 1.00 7.78 C ATOM 540 CG ASN A 66 1.705 8.820 42.054 1.00 7.97 C ATOM 541 OD1 ASN A 66 1.972 7.627 41.973 1.00 9.87 O ATOM 542 ND2 ASN A 66 0.544 9.254 42.541 1.00 9.25 N ATOM 543 N ASP A 67 1.703 8.191 38.683 1.00 6.38 N ATOM 544 CA ASP A 67 0.452 7.936 37.978 1.00 6.58 C ATOM 545 C ASP A 67 -0.462 6.930 38.688 1.00 7.29 C ATOM 546 O ASP A 67 -1.522 6.566 38.176 1.00 6.55 O ATOM 547 CB ASP A 67 0.708 7.521 36.506 1.00 7.32 C ATOM 548 CG ASP A 67 1.386 6.159 36.352 1.00 7.61 C ATOM 549 OD1 ASP A 67 1.658 5.452 37.347 1.00 7.53 O ATOM 550 OD2 ASP A 67 1.613 5.780 35.190 1.00 9.37 O ATOM 551 N GLY A 68 -0.084 6.552 39.904 1.00 8.24 N ATOM 552 CA GLY A 68 -0.926 5.669 40.704 1.00 10.34 C ATOM 553 C GLY A 68 -0.966 4.200 40.299 1.00 11.17 C ATOM 554 O GLY A 68 -1.362 3.350 41.097 1.00 12.80 O ATOM 555 N LYS A 69 -0.557 3.884 39.077 1.00 10.71 N ATOM 556 CA LYS A 69 -0.804 2.554 38.524 1.00 10.75 C ATOM 557 C LYS A 69 0.482 1.802 38.192 1.00 11.17 C ATOM 558 O LYS A 69 0.446 0.751 37.560 1.00 11.78 O ATOM 559 CB LYS A 69 -1.684 2.657 37.272 1.00 10.60 C ATOM 560 CG LYS A 69 -1.067 3.476 36.143 1.00 12.07 C ATOM 561 CD LYS A 69 -1.922 3.436 34.888 1.00 11.12 C ATOM 562 CE LYS A 69 -1.333 4.269 33.767 1.00 14.09 C ATOM 563 NZ LYS A 69 -2.267 4.484 32.597 1.00 13.31 N ATOM 564 N THR A 70 1.618 2.330 38.627 1.00 10.80 N ATOM 565 CA THR A 70 2.904 1.664 38.412 1.00 11.37 C ATOM 566 C THR A 70 3.406 1.021 39.704 1.00 12.42 C ATOM 567 O THR A 70 3.651 1.715 40.684 1.00 13.23 O ATOM 568 CB THR A 70 3.962 2.670 37.923 1.00 10.46 C ATOM 569 OG1 THR A 70 3.451 3.357 36.773 1.00 8.77 O ATOM 570 CG2 THR A 70 5.267 1.954 37.567 1.00 8.81 C ATOM 571 N PRO A 71 3.513 -0.318 39.737 1.00 13.46 N ATOM 572 CA PRO A 71 3.783 -0.995 41.014 1.00 14.95 C ATOM 573 C PRO A 71 5.142 -0.643 41.607 1.00 15.15 C ATOM 574 O PRO A 71 6.121 -0.501 40.890 1.00 17.18 O ATOM 575 CB PRO A 71 3.691 -2.484 40.661 1.00 15.18 C ATOM 576 CG PRO A 71 3.820 -2.556 39.184 1.00 15.39 C ATOM 577 CD PRO A 71 3.258 -1.269 38.646 1.00 14.63 C ATOM 578 N GLY A 72 5.154 -0.318 42.898 1.00 16.34 N ATOM 579 CA GLY A 72 6.413 -0.091 43.594 1.00 16.31 C ATOM 580 C GLY A 72 7.081 1.226 43.246 1.00 16.54 C ATOM 581 O GLY A 72 8.185 1.524 43.697 1.00 16.92 O ATOM 582 N ALA A 73 6.349 2.074 42.535 1.00 15.87 N ATOM 583 CA ALA A 73 6.935 3.281 41.976 1.00 14.04 C ATOM 584 C ALA A 73 7.211 4.364 43.010 1.00 14.01 C ATOM 585 O ALA A 73 6.588 4.430 44.085 1.00 13.77 O ATOM 586 CB ALA A 73 6.030 3.826 40.873 1.00 14.41 C ATOM 587 N VAL A 74 8.153 5.228 42.683 1.00 14.09 N ATOM 588 CA VAL A 74 8.303 6.453 43.442 1.00 14.50 C ATOM 589 C VAL A 74 8.154 7.663 42.514 1.00 14.27 C ATOM 590 O VAL A 74 7.951 7.519 41.303 1.00 14.88 O ATOM 591 CB VAL A 74 9.672 6.495 44.185 1.00 15.82 C ATOM 592 CG1 VAL A 74 9.743 5.369 45.217 1.00 16.84 C ATOM 593 CG2 VAL A 74 10.820 6.393 43.204 1.00 14.94 C ATOM 594 N ASN A 75 8.185 8.843 43.113 1.00 12.93 N ATOM 595 CA ASN A 75 7.823 10.089 42.446 1.00 12.01 C ATOM 596 C ASN A 75 8.847 11.184 42.818 1.00 12.02 C ATOM 597 O ASN A 75 8.550 12.127 43.565 1.00 11.91 O ATOM 598 CB ASN A 75 6.398 10.454 42.900 1.00 10.87 C ATOM 599 CG ASN A 75 5.935 11.788 42.390 1.00 10.74 C ATOM 600 OD1 ASN A 75 6.518 12.364 41.485 1.00 9.23 O ATOM 601 ND2 ASN A 75 4.842 12.274 42.948 1.00 11.02 N ATOM 602 N ALA A 76 10.065 11.032 42.311 1.00 11.72 N ATOM 603 CA ALA A 76 11.157 11.921 42.691 1.00 11.69 C ATOM 604 C ALA A 76 10.985 13.370 42.238 1.00 11.69 C ATOM 605 O ALA A 76 11.456 14.282 42.913 1.00 12.41 O ATOM 606 CB ALA A 76 12.485 11.372 42.192 1.00 10.71 C ATOM 607 N CYS A 77 10.259 13.596 41.146 1.00 11.21 N ATOM 608 CA CYS A 77 9.903 14.958 40.742 1.00 10.56 C ATOM 609 C CYS A 77 8.742 15.563 41.535 1.00 10.84 C ATOM 610 O CYS A 77 8.436 16.743 41.381 1.00 10.80 O ATOM 611 CB CYS A 77 9.558 14.986 39.256 1.00 9.24 C ATOM 612 SG CYS A 77 11.004 14.591 38.236 1.00 9.06 S ATOM 613 N HIS A 78 8.182 14.783 42.459 1.00 11.06 N ATOM 614 CA HIS A 78 6.947 15.131 43.176 1.00 11.16 C ATOM 615 C HIS A 78 5.904 15.824 42.295 1.00 10.33 C ATOM 616 O HIS A 78 5.512 16.946 42.553 1.00 11.25 O ATOM 617 CB HIS A 78 7.230 15.946 44.470 1.00 12.64 C ATOM 618 CG HIS A 78 8.212 17.080 44.312 1.00 15.16 C ATOM 619 ND1 HIS A 78 9.511 17.002 44.767 1.00 15.48 N ATOM 620 CD2 HIS A 78 8.056 18.336 43.825 1.00 15.82 C ATOM 621 CE1 HIS A 78 10.116 18.166 44.565 1.00 15.91 C ATOM 622 NE2 HIS A 78 9.261 18.988 43.997 1.00 16.86 N ATOM 623 N LEU A 79 5.465 15.138 41.246 1.00 9.10 N ATOM 624 CA LEU A 79 4.437 15.637 40.337 1.00 8.93 C ATOM 625 C LEU A 79 3.530 14.469 39.958 1.00 8.40 C ATOM 626 O LEU A 79 3.980 13.318 39.880 1.00 8.23 O ATOM 627 CB LEU A 79 5.049 16.175 39.035 1.00 10.15 C ATOM 628 CG LEU A 79 5.900 17.443 38.960 1.00 10.81 C ATOM 629 CD1 LEU A 79 6.577 17.487 37.597 1.00 10.29 C ATOM 630 CD2 LEU A 79 5.030 18.688 39.164 1.00 10.56 C ATOM 631 N SER A 80 2.251 14.758 39.737 1.00 7.80 N ATOM 632 CA SER A 80 1.428 13.847 38.936 1.00 7.90 C ATOM 633 C SER A 80 2.031 13.735 37.536 1.00 7.54 C ATOM 634 O SER A 80 2.428 14.749 36.955 1.00 7.90 O ATOM 635 CB SER A 80 0.004 14.382 38.813 1.00 7.65 C ATOM 636 OG SER A 80 -0.761 13.622 37.888 1.00 7.32 O ATOM 637 N CYS A 81 2.065 12.529 36.979 1.00 7.31 N ATOM 638 CA CYS A 81 2.490 12.372 35.593 1.00 6.85 C ATOM 639 C CYS A 81 1.620 13.184 34.614 1.00 6.94 C ATOM 640 O CYS A 81 2.094 13.560 33.544 1.00 6.28 O ATOM 641 CB CYS A 81 2.500 10.894 35.191 1.00 7.22 C ATOM 642 SG CYS A 81 3.614 9.846 36.197 1.00 7.34 S ATOM 643 N SER A 82 0.413 13.578 35.054 1.00 6.63 N ATOM 644 CA SER A 82 -0.423 14.529 34.304 1.00 6.74 C ATOM 645 C SER A 82 0.310 15.841 34.016 1.00 6.68 C ATOM 646 O SER A 82 0.179 16.412 32.938 1.00 6.11 O ATOM 647 CB SER A 82 -1.717 14.841 35.070 1.00 6.73 C ATOM 648 OG SER A 82 -2.532 15.761 34.350 1.00 9.40 O ATOM 649 N ALA A 83 1.144 16.280 34.955 1.00 5.75 N ATOM 650 CA ALA A 83 1.865 17.544 34.789 1.00 6.12 C ATOM 651 C ALA A 83 2.843 17.496 33.610 1.00 6.51 C ATOM 652 O ALA A 83 3.164 18.519 33.001 1.00 7.08 O ATOM 653 CB ALA A 83 2.602 17.884 36.074 1.00 6.86 C ATOM 654 N LEU A 84 3.203 16.282 33.216 1.00 6.31 N ATOM 655 CA LEU A 84 4.176 16.085 32.154 1.00 6.01 C ATOM 656 C LEU A 84 3.506 15.941 30.799 1.00 6.29 C ATOM 657 O LEU A 84 4.170 15.624 29.816 1.00 6.42 O ATOM 658 CB LEU A 84 5.037 14.859 32.459 1.00 7.11 C ATOM 659 CG LEU A 84 5.803 14.927 33.779 1.00 6.69 C ATOM 660 CD1 LEU A 84 6.567 13.644 34.003 1.00 8.79 C ATOM 661 CD2 LEU A 84 6.752 16.120 33.749 1.00 7.65 C ATOM 662 N LEU A 85 2.200 16.210 30.741 1.00 6.00 N ATOM 663 CA LEU A 85 1.457 16.176 29.478 1.00 5.95 C ATOM 664 C LEU A 85 0.862 17.550 29.116 1.00 6.55 C ATOM 665 O LEU A 85 0.013 17.654 28.229 1.00 6.23 O ATOM 666 CB LEU A 85 0.332 15.134 29.541 1.00 6.51 C ATOM 667 CG LEU A 85 0.754 13.702 29.878 1.00 6.45 C ATOM 668 CD1 LEU A 85 -0.486 12.828 30.013 1.00 6.70 C ATOM 669 CD2 LEU A 85 1.702 13.157 28.803 1.00 5.76 C ATOM 670 N GLN A 86 1.283 18.593 29.830 1.00 6.96 N ATOM 671 CA GLN A 86 0.860 19.962 29.523 1.00 7.50 C ATOM 672 C GLN A 86 1.534 20.519 28.264 1.00 7.44 C ATOM 673 O GLN A 86 2.667 20.144 27.930 1.00 7.57 O ATOM 674 CB GLN A 86 1.169 20.896 30.695 1.00 7.92 C ATOM 675 CG GLN A 86 0.487 20.526 31.999 1.00 8.43 C ATOM 676 CD GLN A 86 0.920 21.421 33.152 1.00 9.11 C ATOM 677 OE1 GLN A 86 0.396 22.521 33.314 1.00 9.38 O ATOM 678 NE2 GLN A 86 1.926 20.994 33.895 1.00 7.61 N ATOM 679 N ASP A 87 0.871 21.474 27.607 1.00 6.64 N ATOM 680 CA ASP A 87 1.531 22.247 26.552 1.00 6.49 C ATOM 681 C ASP A 87 2.678 23.098 27.099 1.00 6.29 C ATOM 682 O ASP A 87 3.677 23.302 26.429 1.00 5.31 O ATOM 683 CB ASP A 87 0.538 23.170 25.870 1.00 7.02 C ATOM 684 CG ASP A 87 -0.278 22.466 24.777 1.00 7.77 C ATOM 685 OD1 ASP A 87 -0.203 21.234 24.606 1.00 6.13 O ATOM 686 OD2 ASP A 87 -1.018 23.184 24.082 1.00 8.57 O ATOM 687 N ASN A 88 2.469 23.666 28.281 1.00 6.01 N ATOM 688 CA ASN A 88 3.526 24.402 28.965 1.00 6.61 C ATOM 689 C ASN A 88 4.498 23.405 29.581 1.00 6.28 C ATOM 690 O ASN A 88 4.104 22.607 30.427 1.00 5.51 O ATOM 691 CB ASN A 88 2.935 25.275 30.072 1.00 7.95 C ATOM 692 CG ASN A 88 3.980 26.118 30.739 1.00 8.71 C ATOM 693 OD1 ASN A 88 4.825 25.599 31.445 1.00 10.32 O ATOM 694 ND2 ASN A 88 4.057 27.377 30.348 1.00 11.67 N ATOM 695 N ILE A 89 5.772 23.507 29.225 1.00 5.54 N ATOM 696 CA ILE A 89 6.713 22.486 29.647 1.00 6.20 C ATOM 697 C ILE A 89 7.551 22.846 30.880 1.00 5.86 C ATOM 698 O ILE A 89 8.525 22.166 31.167 1.00 5.67 O ATOM 699 CB ILE A 89 7.669 22.082 28.489 1.00 6.00 C ATOM 700 CG1 ILE A 89 8.553 23.264 28.097 1.00 7.33 C ATOM 701 CG2 ILE A 89 6.845 21.586 27.279 1.00 6.45 C ATOM 702 CD1 ILE A 89 9.645 22.902 27.093 1.00 6.26 C ATOM 703 N ALA A 90 7.120 23.843 31.651 1.00 5.45 N ATOM 704 CA ALA A 90 7.862 24.246 32.846 1.00 5.77 C ATOM 705 C ALA A 90 8.054 23.088 33.819 1.00 6.05 C ATOM 706 O ALA A 90 9.182 22.788 34.216 1.00 6.07 O ATOM 707 CB ALA A 90 7.162 25.425 33.553 1.00 5.36 C ATOM 708 N ASP A 91 6.978 22.375 34.124 1.00 6.34 N ATOM 709 CA ASP A 91 7.065 21.232 35.043 1.00 5.95 C ATOM 710 C ASP A 91 7.904 20.065 34.481 1.00 5.88 C ATOM 711 O ASP A 91 8.734 19.479 35.208 1.00 6.71 O ATOM 712 CB ASP A 91 5.655 20.745 35.412 1.00 7.73 C ATOM 713 CG ASP A 91 4.887 21.755 36.269 1.00 9.55 C ATOM 714 OD1 ASP A 91 5.527 22.505 37.040 1.00 11.36 O ATOM 715 OD2 ASP A 91 3.642 21.757 36.213 1.00 10.30 O ATOM 716 N ALA A 92 7.784 19.820 33.173 1.00 5.63 N ATOM 717 CA ALA A 92 8.587 18.806 32.487 1.00 5.91 C ATOM 718 C ALA A 92 10.065 19.162 32.522 1.00 6.17 C ATOM 719 O ALA A 92 10.892 18.305 32.791 1.00 5.78 O ATOM 720 CB ALA A 92 8.117 18.616 31.025 1.00 6.97 C ATOM 721 N VAL A 93 10.385 20.447 32.374 1.00 5.74 N ATOM 722 CA VAL A 93 11.764 20.904 32.489 1.00 5.73 C ATOM 723 C VAL A 93 12.292 20.811 33.932 1.00 6.31 C ATOM 724 O VAL A 93 13.388 20.295 34.174 1.00 5.40 O ATOM 725 CB VAL A 93 11.905 22.344 31.941 1.00 6.11 C ATOM 726 CG1 VAL A 93 13.154 23.008 32.487 1.00 8.28 C ATOM 727 CG2 VAL A 93 11.949 22.306 30.414 1.00 6.89 C ATOM 728 N ALA A 94 11.468 21.175 34.903 1.00 6.00 N ATOM 729 CA ALA A 94 11.853 20.989 36.305 1.00 6.69 C ATOM 730 C ALA A 94 12.144 19.514 36.630 1.00 6.28 C ATOM 731 O ALA A 94 13.113 19.185 37.324 1.00 6.44 O ATOM 732 CB ALA A 94 10.755 21.519 37.239 1.00 7.58 C ATOM 733 N CYS A 95 11.350 18.625 36.058 1.00 5.63 N ATOM 734 CA CYS A 95 11.529 17.205 36.293 1.00 5.82 C ATOM 735 C CYS A 95 12.748 16.653 35.550 1.00 5.83 C ATOM 736 O CYS A 95 13.557 15.945 36.148 1.00 5.84 O ATOM 737 CB CYS A 95 10.258 16.451 35.901 1.00 6.56 C ATOM 738 SG CYS A 95 10.276 14.683 36.339 1.00 7.63 S ATOM 739 N ALA A 96 12.965 17.105 34.311 1.00 5.37 N ATOM 740 CA ALA A 96 14.201 16.776 33.590 1.00 5.52 C ATOM 741 C ALA A 96 15.461 17.247 34.326 1.00 5.45 C ATOM 742 O ALA A 96 16.458 16.527 34.379 1.00 6.37 O ATOM 743 CB ALA A 96 14.175 17.350 32.178 1.00 5.92 C ATOM 744 N LYS A 97 15.400 18.418 34.956 1.00 5.16 N ATOM 745 CA LYS A 97 16.520 18.863 35.783 1.00 6.24 C ATOM 746 C LYS A 97 16.731 17.959 37.005 1.00 6.72 C ATOM 747 O LYS A 97 17.865 17.528 37.286 1.00 7.68 O ATOM 748 CB LYS A 97 16.307 20.308 36.217 1.00 5.67 C ATOM 749 CG LYS A 97 16.399 21.292 35.066 1.00 5.43 C ATOM 750 CD LYS A 97 16.086 22.682 35.556 1.00 7.49 C ATOM 751 CE LYS A 97 16.224 23.720 34.462 1.00 6.64 C ATOM 752 NZ LYS A 97 15.731 25.029 34.974 1.00 6.80 N ATOM 753 N ARG A 98 15.631 17.497 37.597 1.00 6.68 N ATOM 754 CA ARG A 98 15.710 16.519 38.688 1.00 6.98 C ATOM 755 C ARG A 98 16.352 15.184 38.274 1.00 7.40 C ATOM 756 O ARG A 98 17.262 14.671 38.960 1.00 7.83 O ATOM 757 CB ARG A 98 14.311 16.297 39.299 1.00 8.40 C ATOM 758 CG ARG A 98 14.229 15.262 40.444 1.00 10.16 C ATOM 759 CD ARG A 98 15.246 15.508 41.552 1.00 10.91 C ATOM 760 NE ARG A 98 15.273 14.409 42.528 1.00 10.41 N ATOM 761 CZ ARG A 98 16.113 13.377 42.468 1.00 12.39 C ATOM 762 NH1 ARG A 98 16.077 12.442 43.403 1.00 11.54 N ATOM 763 NH2 ARG A 98 17.016 13.296 41.490 1.00 11.34 N ATOM 764 N VAL A 99 15.952 14.658 37.119 1.00 6.21 N ATOM 765 CA VAL A 99 16.579 13.436 36.604 1.00 6.35 C ATOM 766 C VAL A 99 18.108 13.570 36.515 1.00 6.39 C ATOM 767 O VAL A 99 18.844 12.703 36.995 1.00 7.22 O ATOM 768 CB VAL A 99 16.038 13.077 35.200 1.00 6.51 C ATOM 769 CG1 VAL A 99 16.829 11.908 34.605 1.00 6.22 C ATOM 770 CG2 VAL A 99 14.542 12.750 35.279 1.00 5.82 C ATOM 771 N VAL A 100 18.586 14.650 35.904 1.00 7.26 N ATOM 772 CA VAL A 100 20.017 14.789 35.653 1.00 7.23 C ATOM 773 C VAL A 100 20.817 15.319 36.861 1.00 8.91 C ATOM 774 O VAL A 100 22.042 15.432 36.792 1.00 9.69 O ATOM 775 CB VAL A 100 20.298 15.649 34.380 1.00 7.41 C ATOM 776 CG1 VAL A 100 19.509 15.085 33.182 1.00 5.90 C ATOM 777 CG2 VAL A 100 19.961 17.120 34.618 1.00 6.13 C ATOM 778 N ARG A 101 20.157 15.510 38.003 1.00 9.79 N ATOM 779 CA ARG A 101 20.891 15.702 39.263 1.00 10.85 C ATOM 780 C ARG A 101 21.369 14.387 39.865 1.00 11.69 C ATOM 781 O ARG A 101 22.128 14.376 40.841 1.00 12.03 O ATOM 782 CB ARG A 101 20.046 16.454 40.291 1.00 11.37 C ATOM 783 CG ARG A 101 19.942 17.942 39.998 1.00 11.87 C ATOM 784 CD ARG A 101 19.405 18.717 41.198 1.00 12.49 C ATOM 785 NE ARG A 101 17.992 18.454 41.473 1.00 11.85 N ATOM 786 CZ ARG A 101 16.971 19.131 40.947 1.00 12.48 C ATOM 787 NH1 ARG A 101 15.744 18.961 41.430 1.00 12.05 N ATOM 788 NH2 ARG A 101 17.153 19.964 39.930 1.00 12.93 N ATOM 789 N ASP A 102 20.865 13.283 39.333 1.00 11.49 N ATOM 790 CA ASP A 102 21.353 11.973 39.716 1.00 11.05 C ATOM 791 C ASP A 102 22.604 11.599 38.919 1.00 11.01 C ATOM 792 O ASP A 102 22.918 12.216 37.894 1.00 11.11 O ATOM 793 CB ASP A 102 20.241 10.939 39.515 1.00 11.63 C ATOM 794 CG ASP A 102 19.310 10.849 40.713 1.00 12.36 C ATOM 795 OD1 ASP A 102 19.335 11.755 41.585 1.00 13.78 O ATOM 796 OD2 ASP A 102 18.569 9.853 40.795 1.00 14.77 O ATOM 797 N PRO A 103 23.380 10.628 39.414 1.00 11.15 N ATOM 798 CA PRO A 103 24.721 10.370 38.878 1.00 11.57 C ATOM 799 C PRO A 103 24.819 10.196 37.358 1.00 10.83 C ATOM 800 O PRO A 103 25.760 10.679 36.750 1.00 10.18 O ATOM 801 CB PRO A 103 25.171 9.117 39.636 1.00 12.33 C ATOM 802 CG PRO A 103 24.473 9.260 40.971 1.00 12.54 C ATOM 803 CD PRO A 103 23.105 9.798 40.608 1.00 11.68 C ATOM 804 N GLN A 104 23.876 9.480 36.743 1.00 10.87 N ATOM 805 CA GLN A 104 23.941 9.233 35.293 1.00 10.60 C ATOM 806 C GLN A 104 23.812 10.502 34.457 1.00 10.43 C ATOM 807 O GLN A 104 24.203 10.520 33.298 1.00 9.61 O ATOM 808 CB GLN A 104 22.838 8.272 34.849 1.00 12.50 C ATOM 809 CG GLN A 104 23.107 6.827 35.133 1.00 15.33 C ATOM 810 CD GLN A 104 21.958 5.962 34.657 1.00 17.11 C ATOM 811 OE1 GLN A 104 20.922 5.868 35.326 1.00 20.96 O ATOM 812 NE2 GLN A 104 22.066 5.454 33.448 1.00 17.21 N ATOM 813 N GLY A 105 23.200 11.540 35.026 1.00 9.97 N ATOM 814 CA GLY A 105 22.861 12.714 34.243 1.00 9.65 C ATOM 815 C GLY A 105 21.978 12.366 33.054 1.00 9.07 C ATOM 816 O GLY A 105 21.049 11.560 33.170 1.00 9.36 O ATOM 817 N ILE A 106 22.320 12.902 31.890 1.00 8.92 N ATOM 818 CA ILE A 106 21.491 12.704 30.709 1.00 10.05 C ATOM 819 C ILE A 106 21.530 11.270 30.152 1.00 9.56 C ATOM 820 O ILE A 106 20.617 10.849 29.423 1.00 9.59 O ATOM 821 CB ILE A 106 21.855 13.714 29.621 1.00 11.19 C ATOM 822 CG1 ILE A 106 20.789 13.681 28.519 1.00 12.92 C ATOM 823 CG2 ILE A 106 23.259 13.450 29.109 1.00 11.83 C ATOM 824 CD1 ILE A 106 20.579 14.996 27.834 1.00 14.51 C ATOM 825 N ARG A 107 22.502 10.478 30.605 1.00 8.85 N ATOM 826 CA ARG A 107 22.545 9.054 30.258 1.00 9.81 C ATOM 827 C ARG A 107 21.356 8.274 30.819 1.00 9.97 C ATOM 828 O ARG A 107 21.160 7.106 30.481 1.00 10.45 O ATOM 829 CB ARG A 107 23.854 8.417 30.750 1.00 9.18 C ATOM 830 CG ARG A 107 25.048 8.735 29.871 1.00 10.27 C ATOM 831 CD ARG A 107 26.342 8.680 30.658 1.00 11.80 C ATOM 832 NE ARG A 107 27.526 8.831 29.810 1.00 12.84 N ATOM 833 CZ ARG A 107 27.936 9.980 29.272 1.00 13.54 C ATOM 834 NH1 ARG A 107 29.032 10.002 28.521 1.00 12.93 N ATOM 835 NH2 ARG A 107 27.262 11.102 29.485 1.00 11.58 N ATOM 836 N ALA A 108 20.572 8.904 31.690 1.00 9.87 N ATOM 837 CA ALA A 108 19.373 8.252 32.220 1.00 9.93 C ATOM 838 C ALA A 108 18.436 7.777 31.107 1.00 9.96 C ATOM 839 O ALA A 108 17.784 6.749 31.229 1.00 11.62 O ATOM 840 CB ALA A 108 18.638 9.195 33.166 1.00 10.29 C ATOM 841 N TRP A 109 18.371 8.534 30.016 1.00 9.15 N ATOM 842 CA TRP A 109 17.538 8.168 28.867 1.00 7.84 C ATOM 843 C TRP A 109 18.341 7.350 27.848 1.00 8.49 C ATOM 844 O TRP A 109 19.329 7.845 27.274 1.00 8.56 O ATOM 845 CB TRP A 109 17.013 9.436 28.192 1.00 7.58 C ATOM 846 CG TRP A 109 16.011 10.202 29.008 1.00 6.88 C ATOM 847 CD1 TRP A 109 14.651 10.047 28.990 1.00 7.32 C ATOM 848 CD2 TRP A 109 16.268 11.351 29.845 1.00 6.60 C ATOM 849 NE1 TRP A 109 14.055 11.042 29.723 1.00 7.50 N ATOM 850 CE2 TRP A 109 15.020 11.855 30.255 1.00 6.27 C ATOM 851 CE3 TRP A 109 17.430 12.020 30.245 1.00 6.46 C ATOM 852 CZ2 TRP A 109 14.901 13.001 31.048 1.00 7.07 C ATOM 853 CZ3 TRP A 109 17.307 13.166 31.035 1.00 6.60 C ATOM 854 CH2 TRP A 109 16.056 13.642 31.422 1.00 6.48 C ATOM 855 N VAL A 110 17.923 6.114 27.584 1.00 8.88 N ATOM 856 CA VAL A 110 18.665 5.270 26.635 1.00 9.43 C ATOM 857 C VAL A 110 18.682 5.833 25.210 1.00 8.74 C ATOM 858 O VAL A 110 19.689 5.719 24.500 1.00 9.33 O ATOM 859 CB VAL A 110 18.117 3.817 26.596 1.00 10.92 C ATOM 860 CG1 VAL A 110 19.007 2.939 25.726 1.00 11.46 C ATOM 861 CG2 VAL A 110 18.036 3.261 28.003 1.00 13.69 C ATOM 862 N ALA A 111 17.602 6.496 24.804 1.00 8.96 N ATOM 863 CA ALA A 111 17.554 7.096 23.469 1.00 8.68 C ATOM 864 C ALA A 111 18.630 8.153 23.295 1.00 8.78 C ATOM 865 O ALA A 111 19.149 8.329 22.193 1.00 8.80 O ATOM 866 CB ALA A 111 16.176 7.709 23.183 1.00 9.32 C ATOM 867 N TRP A 112 18.995 8.848 24.373 1.00 7.95 N ATOM 868 CA TRP A 112 20.104 9.790 24.269 1.00 7.38 C ATOM 869 C TRP A 112 21.437 9.084 23.998 1.00 7.43 C ATOM 870 O TRP A 112 22.196 9.510 23.124 1.00 7.50 O ATOM 871 CB TRP A 112 20.213 10.655 25.519 1.00 7.67 C ATOM 872 CG TRP A 112 21.299 11.679 25.430 1.00 6.77 C ATOM 873 CD1 TRP A 112 21.213 12.928 24.875 1.00 7.83 C ATOM 874 CD2 TRP A 112 22.663 11.518 25.845 1.00 7.47 C ATOM 875 NE1 TRP A 112 22.446 13.539 24.899 1.00 6.94 N ATOM 876 CE2 TRP A 112 23.348 12.703 25.506 1.00 7.07 C ATOM 877 CE3 TRP A 112 23.369 10.487 26.477 1.00 6.95 C ATOM 878 CZ2 TRP A 112 24.705 12.893 25.799 1.00 8.73 C ATOM 879 CZ3 TRP A 112 24.723 10.675 26.750 1.00 8.21 C ATOM 880 CH2 TRP A 112 25.369 11.865 26.423 1.00 8.21 C ATOM 881 N ARG A 113 21.670 7.948 24.648 1.00 8.36 N ATOM 882 CA ARG A 113 22.889 7.188 24.371 1.00 8.53 C ATOM 883 C ARG A 113 22.905 6.711 22.910 1.00 8.25 C ATOM 884 O ARG A 113 23.955 6.670 22.273 1.00 8.33 O ATOM 885 CB ARG A 113 22.992 5.978 25.296 1.00 9.34 C ATOM 886 CG ARG A 113 23.017 6.308 26.775 1.00 11.77 C ATOM 887 CD ARG A 113 23.122 5.021 27.556 1.00 14.65 C ATOM 888 NE ARG A 113 22.645 5.150 28.929 1.00 20.29 N ATOM 889 CZ ARG A 113 21.656 4.423 29.453 1.00 22.83 C ATOM 890 NH1 ARG A 113 21.375 4.509 30.747 1.00 23.26 N ATOM 891 NH2 ARG A 113 20.942 3.608 28.684 1.00 25.73 N ATOM 892 N ASN A 114 21.761 6.219 22.450 1.00 8.20 N ATOM 893 CA ASN A 114 21.599 5.686 21.095 1.00 9.09 C ATOM 894 C ASN A 114 21.715 6.748 20.005 1.00 8.90 C ATOM 895 O ASN A 114 22.296 6.498 18.954 1.00 9.45 O ATOM 896 CB ASN A 114 20.222 5.014 20.936 1.00 10.15 C ATOM 897 CG ASN A 114 20.015 3.869 21.895 1.00 12.16 C ATOM 898 OD1 ASN A 114 20.961 3.354 22.484 1.00 11.64 O ATOM 899 ND2 ASN A 114 18.756 3.487 22.087 1.00 13.38 N ATOM 900 N ARG A 115 21.076 7.898 20.232 1.00 8.57 N ATOM 901 CA ARG A 115 20.814 8.868 19.173 1.00 8.82 C ATOM 902 C ARG A 115 21.585 10.175 19.264 1.00 7.98 C ATOM 903 O ARG A 115 21.551 10.961 18.321 1.00 9.03 O ATOM 904 CB ARG A 115 19.316 9.215 19.122 1.00 7.62 C ATOM 905 CG ARG A 115 18.363 8.030 18.983 1.00 7.62 C ATOM 906 CD ARG A 115 18.386 7.457 17.595 1.00 7.12 C ATOM 907 NE ARG A 115 17.424 6.370 17.452 1.00 6.93 N ATOM 908 CZ ARG A 115 17.053 5.844 16.287 1.00 7.41 C ATOM 909 NH1 ARG A 115 16.173 4.854 16.254 1.00 7.52 N ATOM 910 NH2 ARG A 115 17.589 6.280 15.160 1.00 7.42 N ATOM 911 N CYS A 116 22.243 10.423 20.395 1.00 7.09 N ATOM 912 CA CYS A 116 22.836 11.735 20.666 1.00 6.98 C ATOM 913 C CYS A 116 24.288 11.672 21.154 1.00 6.41 C ATOM 914 O CYS A 116 25.116 12.513 20.805 1.00 7.10 O ATOM 915 CB CYS A 116 21.992 12.479 21.704 1.00 6.14 C ATOM 916 SG CYS A 116 20.222 12.584 21.291 1.00 6.65 S ATOM 917 N GLN A 117 24.556 10.751 22.066 1.00 6.66 N ATOM 918 CA GLN A 117 25.874 10.624 22.679 1.00 7.07 C ATOM 919 C GLN A 117 26.977 10.439 21.628 1.00 7.52 C ATOM 920 O GLN A 117 26.827 9.660 20.688 1.00 7.46 O ATOM 921 CB GLN A 117 25.866 9.436 23.635 1.00 8.39 C ATOM 922 CG GLN A 117 27.181 9.208 24.386 1.00 9.55 C ATOM 923 CD GLN A 117 27.113 8.039 25.356 1.00 11.27 C ATOM 924 OE1 GLN A 117 26.067 7.413 25.530 1.00 11.91 O ATOM 925 NE2 GLN A 117 28.219 7.767 26.022 1.00 13.36 N ATOM 926 N ASN A 118 28.073 11.168 21.790 1.00 7.00 N ATOM 927 CA ASN A 118 29.220 11.052 20.885 1.00 9.01 C ATOM 928 C ASN A 118 28.896 11.416 19.433 1.00 9.32 C ATOM 929 O ASN A 118 29.649 11.049 18.527 1.00 11.69 O ATOM 930 CB ASN A 118 29.797 9.623 20.905 1.00 10.50 C ATOM 931 CG ASN A 118 30.325 9.227 22.252 1.00 10.83 C ATOM 932 OD1 ASN A 118 30.757 10.064 23.025 1.00 10.73 O ATOM 933 ND2 ASN A 118 30.217 7.955 22.573 1.00 11.85 N ATOM 934 N ARG A 119 27.794 12.124 19.195 1.00 8.06 N ATOM 935 CA ARG A 119 27.460 12.559 17.848 1.00 7.45 C ATOM 936 C ARG A 119 27.597 14.071 17.711 1.00 7.55 C ATOM 937 O ARG A 119 27.716 14.791 18.713 1.00 8.00 O ATOM 938 CB ARG A 119 26.030 12.142 17.498 1.00 5.62 C ATOM 939 CG ARG A 119 25.816 10.647 17.495 1.00 3.45 C ATOM 940 CD ARG A 119 24.444 10.312 17.010 1.00 4.02 C ATOM 941 NE ARG A 119 24.138 8.897 17.154 1.00 2.00 N ATOM 942 CZ ARG A 119 23.933 8.068 16.136 1.00 2.84 C ATOM 943 NH1 ARG A 119 23.506 6.843 16.380 1.00 2.00 N ATOM 944 NH2 ARG A 119 24.206 8.441 14.885 1.00 2.52 N ATOM 945 N ASP A 120 27.590 14.545 16.469 1.00 7.73 N ATOM 946 CA ASP A 120 27.557 15.976 16.200 1.00 7.72 C ATOM 947 C ASP A 120 26.088 16.412 16.253 1.00 7.86 C ATOM 948 O ASP A 120 25.299 16.019 15.393 1.00 9.10 O ATOM 949 CB ASP A 120 28.156 16.251 14.813 1.00 8.52 C ATOM 950 CG ASP A 120 28.063 17.712 14.398 1.00 9.13 C ATOM 951 OD1 ASP A 120 27.555 18.553 15.172 1.00 9.82 O ATOM 952 OD2 ASP A 120 28.554 18.035 13.298 1.00 9.10 O ATOM 953 N VAL A 121 25.705 17.121 17.318 1.00 7.38 N ATOM 954 CA VAL A 121 24.297 17.467 17.542 1.00 8.13 C ATOM 955 C VAL A 121 24.011 18.949 17.253 1.00 8.27 C ATOM 956 O VAL A 121 22.962 19.471 17.626 1.00 8.18 O ATOM 957 CB VAL A 121 23.838 17.139 19.008 1.00 7.54 C ATOM 958 CG1 VAL A 121 23.813 15.628 19.239 1.00 9.41 C ATOM 959 CG2 VAL A 121 24.758 17.824 20.033 1.00 9.00 C ATOM 960 N ARG A 122 24.954 19.623 16.599 1.00 8.14 N ATOM 961 CA ARG A 122 24.839 21.064 16.327 1.00 9.27 C ATOM 962 C ARG A 122 23.621 21.429 15.498 1.00 9.16 C ATOM 963 O ARG A 122 23.015 22.492 15.704 1.00 9.13 O ATOM 964 CB ARG A 122 26.110 21.586 15.634 1.00 10.43 C ATOM 965 CG ARG A 122 27.333 21.603 16.546 1.00 12.57 C ATOM 966 CD ARG A 122 28.591 22.026 15.815 1.00 13.39 C ATOM 967 NE ARG A 122 29.067 20.985 14.912 1.00 13.55 N ATOM 968 CZ ARG A 122 30.001 21.165 13.981 1.00 15.83 C ATOM 969 NH1 ARG A 122 30.337 20.170 13.166 1.00 13.99 N ATOM 970 NH2 ARG A 122 30.621 22.335 13.887 1.00 16.64 N ATOM 971 N GLN A 123 23.214 20.534 14.600 1.00 9.10 N ATOM 972 CA GLN A 123 22.049 20.802 13.758 1.00 9.86 C ATOM 973 C GLN A 123 20.751 21.099 14.524 1.00 9.99 C ATOM 974 O GLN A 123 19.934 21.905 14.064 1.00 9.95 O ATOM 975 CB GLN A 123 21.807 19.645 12.805 1.00 11.68 C ATOM 976 CG GLN A 123 21.238 18.403 13.474 1.00 13.91 C ATOM 977 CD GLN A 123 21.171 17.256 12.521 1.00 16.29 C ATOM 978 OE1 GLN A 123 22.157 16.535 12.344 1.00 17.53 O ATOM 979 NE2 GLN A 123 20.043 17.113 11.840 1.00 16.89 N ATOM 980 N TYR A 124 20.580 20.520 15.713 1.00 9.10 N ATOM 981 CA TYR A 124 19.324 20.720 16.435 1.00 9.03 C ATOM 982 C TYR A 124 19.074 22.185 16.819 1.00 8.75 C ATOM 983 O TYR A 124 17.922 22.590 16.961 1.00 8.01 O ATOM 984 CB TYR A 124 19.245 19.821 17.684 1.00 9.02 C ATOM 985 CG TYR A 124 19.224 18.345 17.355 1.00 8.85 C ATOM 986 CD1 TYR A 124 18.055 17.727 16.913 1.00 10.41 C ATOM 987 CD2 TYR A 124 20.391 17.595 17.368 1.00 8.98 C ATOM 988 CE1 TYR A 124 18.058 16.417 16.477 1.00 9.82 C ATOM 989 CE2 TYR A 124 20.404 16.284 16.922 1.00 10.18 C ATOM 990 CZ TYR A 124 19.236 15.706 16.469 1.00 10.34 C ATOM 991 OH TYR A 124 19.265 14.422 15.965 1.00 10.19 O ATOM 992 N VAL A 125 20.139 22.978 16.968 1.00 8.78 N ATOM 993 CA VAL A 125 19.977 24.380 17.364 1.00 9.43 C ATOM 994 C VAL A 125 20.360 25.390 16.279 1.00 9.55 C ATOM 995 O VAL A 125 20.293 26.589 16.498 1.00 9.57 O ATOM 996 CB VAL A 125 20.760 24.716 18.678 1.00 9.03 C ATOM 997 CG1 VAL A 125 20.209 23.876 19.851 1.00 9.66 C ATOM 998 CG2 VAL A 125 22.268 24.491 18.499 1.00 8.59 C ATOM 999 N GLN A 126 20.713 24.894 15.103 1.00 10.05 N ATOM 1000 CA GLN A 126 21.155 25.764 14.008 1.00 11.16 C ATOM 1001 C GLN A 126 20.092 26.781 13.613 1.00 9.64 C ATOM 1002 O GLN A 126 18.955 26.421 13.327 1.00 8.75 O ATOM 1003 CB GLN A 126 21.516 24.936 12.776 1.00 14.07 C ATOM 1004 CG GLN A 126 22.474 25.642 11.810 1.00 19.13 C ATOM 1005 CD GLN A 126 23.909 25.633 12.310 1.00 22.60 C ATOM 1006 OE1 GLN A 126 24.375 26.594 12.924 1.00 25.08 O ATOM 1007 NE2 GLN A 126 24.595 24.521 12.115 1.00 24.44 N ATOM 1008 N GLY A 127 20.470 28.057 13.641 1.00 8.95 N ATOM 1009 CA GLY A 127 19.568 29.111 13.202 1.00 8.35 C ATOM 1010 C GLY A 127 18.518 29.566 14.214 1.00 7.58 C ATOM 1011 O GLY A 127 17.710 30.444 13.910 1.00 7.15 O ATOM 1012 N CYS A 128 18.487 28.965 15.406 1.00 8.30 N ATOM 1013 CA CYS A 128 17.396 29.243 16.344 1.00 8.87 C ATOM 1014 C CYS A 128 17.606 30.475 17.208 1.00 10.30 C ATOM 1015 O CYS A 128 16.745 30.818 18.022 1.00 9.94 O ATOM 1016 CB CYS A 128 17.136 28.034 17.246 1.00 8.11 C ATOM 1017 SG CYS A 128 16.793 26.495 16.324 1.00 6.50 S ATOM 1018 N GLY A 129 18.778 31.084 17.089 1.00 10.76 N ATOM 1019 CA GLY A 129 19.095 32.255 17.896 1.00 13.09 C ATOM 1020 C GLY A 129 19.369 31.949 19.362 1.00 13.57 C ATOM 1021 O GLY A 129 19.059 32.757 20.237 1.00 14.92 O ATOM 1022 N VAL A 130 19.894 30.760 19.640 1.00 13.08 N ATOM 1023 CA VAL A 130 20.158 30.354 21.016 1.00 14.00 C ATOM 1024 C VAL A 130 21.651 30.238 21.262 1.00 14.61 C ATOM 1025 O VAL A 130 22.411 30.332 20.274 1.00 16.36 O ATOM 1026 CB VAL A 130 19.481 29.010 21.350 1.00 13.87 C ATOM 1027 CG1 VAL A 130 17.962 29.155 21.282 1.00 13.33 C ATOM 1028 CG2 VAL A 130 19.943 27.935 20.382 1.00 13.89 C ATOM 1029 OXT VAL A 130 22.044 30.057 22.429 1.00 15.56 O TER 1030 VAL A 130 HETATM 1031 O HOH A 200 27.950 18.295 18.752 1.00 10.93 O HETATM 1032 O HOH A 201 16.641 4.853 20.211 1.00 7.54 O HETATM 1033 O HOH A 202 15.030 6.512 26.225 1.00 9.15 O HETATM 1034 O HOH A 203 0.034 18.808 25.726 1.00 5.89 O HETATM 1035 O HOH A 204 6.311 25.943 27.611 1.00 7.21 O HETATM 1036 O HOH A 205 8.396 15.039 29.544 1.00 4.04 O HETATM 1037 O HOH A 206 4.850 19.204 29.248 1.00 9.30 O HETATM 1038 O HOH A 208 25.550 4.083 30.791 1.00 34.75 O HETATM 1039 O HOH A 209 6.826 29.283 31.748 1.00 6.59 O HETATM 1040 O HOH A 210 5.015 20.292 31.905 1.00 7.46 O HETATM 1041 O HOH A 211 5.868 6.947 40.168 1.00 6.23 O HETATM 1042 O HOH A 212 -1.160 11.476 39.599 1.00 7.65 O HETATM 1043 O HOH A 213 14.086 20.622 39.353 1.00 14.82 O HETATM 1044 O HOH A 214 4.582 7.119 42.275 1.00 13.71 O HETATM 1045 O HOH A 215 12.142 21.778 42.454 1.00 47.58 O HETATM 1046 O HOH A 216 15.415 5.368 28.876 1.00 23.28 O HETATM 1047 O HOH A 217 20.302 10.582 35.857 1.00 11.70 O HETATM 1048 O HOH A 218 2.498 4.202 40.908 1.00 10.60 O HETATM 1049 O HOH A 219 25.962 11.951 31.694 1.00 14.28 O HETATM 1050 O HOH A 220 23.899 23.659 36.623 1.00 16.46 O HETATM 1051 O HOH A 221 9.817 18.335 39.582 1.00 15.02 O HETATM 1052 O HOH A 222 19.848 14.127 43.229 1.00 18.59 O HETATM 1053 O HOH A 223 13.977 21.407 11.338 1.00 29.65 O HETATM 1054 O HOH A 224 10.209 21.178 13.738 1.00 8.08 O HETATM 1055 O HOH A 225 24.030 23.925 22.172 1.00 2.77 O HETATM 1056 O HOH A 226 -0.048 25.465 22.446 1.00 27.05 O HETATM 1057 O HOH A 227 15.504 32.119 24.004 1.00 25.79 O HETATM 1058 O HOH A 228 25.271 2.585 27.204 1.00 30.58 O HETATM 1059 O HOH A 229 19.227 28.254 29.539 1.00 11.63 O HETATM 1060 O HOH A 230 2.071 -5.044 31.519 1.00 17.12 O HETATM 1061 O HOH A 231 10.916 1.828 34.304 1.00 16.04 O HETATM 1062 O HOH A 232 24.099 27.505 16.612 1.00 21.56 O HETATM 1063 O HOH A 233 6.116 0.291 24.050 1.00 51.60 O HETATM 1064 O HOH A 234 16.139 33.625 21.547 1.00 34.73 O HETATM 1065 O HOH A 235 8.935 6.063 25.089 1.00 14.34 O HETATM 1066 O HOH A 237 12.644 8.617 32.646 1.00 17.71 O HETATM 1067 O HOH A 238 3.360 10.031 45.141 1.00 6.53 O HETATM 1068 O HOH A 239 3.771 21.415 15.186 1.00 14.36 O HETATM 1069 O HOH A 240 9.943 12.984 14.772 1.00 24.95 O HETATM 1070 O HOH A 241 26.080 14.544 22.514 1.00 9.09 O HETATM 1071 O HOH A 242 6.229 16.955 28.707 1.00 5.43 O HETATM 1072 O HOH A 243 0.583 0.181 34.871 1.00 19.81 O HETATM 1073 O HOH A 244 6.085 22.084 11.447 1.00 23.30 O HETATM 1074 O HOH A 245 8.153 -3.005 27.823 1.00 27.03 O HETATM 1075 O HOH A 246 8.084 17.068 15.252 1.00 10.26 O HETATM 1076 O HOH A 247 -0.033 5.532 28.082 1.00 50.88 O HETATM 1077 O HOH A 248 -0.144 3.939 30.411 1.00 18.14 O HETATM 1078 O HOH A 249 17.462 10.027 43.617 1.00 21.50 O HETATM 1079 O HOH A 250 8.097 19.854 14.842 1.00 6.99 O HETATM 1080 O HOH A 251 10.904 29.718 14.848 1.00 11.02 O HETATM 1081 O HOH A 253 7.886 31.504 17.548 1.00 25.00 O HETATM 1082 O HOH A 254 9.097 35.843 26.936 1.00 23.52 O HETATM 1083 O HOH A 255 8.899 38.510 28.104 1.00 30.15 O HETATM 1084 O HOH A 256 5.309 31.708 31.283 1.00 18.88 O HETATM 1085 O HOH A 257 0.154 26.679 31.321 1.00 41.56 O HETATM 1086 O HOH A 258 25.510 29.883 24.887 1.00 37.55 O HETATM 1087 O HOH A 259 5.883 14.454 16.908 1.00 13.39 O HETATM 1088 O HOH A 260 4.857 -1.906 25.824 1.00 22.69 O HETATM 1089 O HOH A 261 4.986 -7.782 28.783 1.00 15.31 O HETATM 1090 O HOH A 262 5.910 -10.138 27.908 1.00 30.34 O HETATM 1091 O HOH A 263 7.154 -13.081 30.663 1.00 52.02 O HETATM 1092 O HOH A 264 11.225 3.044 41.699 1.00 22.41 O HETATM 1093 O HOH A 265 4.237 25.881 25.776 1.00 9.99 O HETATM 1094 O HOH A 266 13.281 24.646 36.430 1.00 11.24 O HETATM 1095 O HOH A 267 12.100 19.126 41.284 1.00 21.42 O HETATM 1096 O HOH A 268 17.952 16.293 43.446 1.00 12.35 O HETATM 1097 O HOH A 269 17.649 18.993 46.152 1.00 17.23 O HETATM 1098 O HOH A 270 22.058 7.742 38.240 1.00 21.60 O HETATM 1099 O HOH A 271 28.105 13.148 23.805 1.00 11.50 O HETATM 1100 O HOH A 272 30.763 16.333 23.370 1.00 13.67 O HETATM 1101 O HOH A 273 14.752 18.466 14.374 1.00 9.95 O HETATM 1102 O HOH A 274 20.046 8.404 14.694 1.00 18.84 O HETATM 1103 O HOH A 275 23.599 13.884 14.632 1.00 29.72 O HETATM 1104 O HOH A 276 28.624 9.257 15.209 1.00 4.26 O HETATM 1105 O HOH A 277 20.958 10.626 15.673 1.00 25.59 O HETATM 1106 O HOH A 278 21.050 28.973 17.694 1.00 15.32 O HETATM 1107 O HOH A 279 24.758 7.954 19.962 1.00 9.67 O HETATM 1108 O HOH A 280 -3.240 18.802 19.521 1.00 18.81 O HETATM 1109 O HOH A 281 28.006 16.505 21.347 1.00 13.43 O HETATM 1110 O HOH A 282 -2.131 22.185 21.909 1.00 12.49 O HETATM 1111 O HOH A 283 19.239 33.706 23.350 1.00 29.45 O HETATM 1112 O HOH A 284 30.461 10.160 25.764 1.00 16.35 O HETATM 1113 O HOH A 285 7.589 28.211 28.514 1.00 8.88 O HETATM 1114 O HOH A 286 10.127 29.242 28.051 1.00 7.17 O HETATM 1115 O HOH A 287 -3.624 14.401 32.235 1.00 9.27 O HETATM 1116 O HOH A 288 -4.946 3.952 33.301 1.00 14.04 O HETATM 1117 O HOH A 289 24.788 14.778 36.712 1.00 17.32 O HETATM 1118 O HOH A 290 26.478 22.896 37.486 1.00 31.99 O HETATM 1119 O HOH A 291 17.695 26.066 37.012 1.00 10.66 O HETATM 1120 O HOH A 292 3.606 6.078 39.426 1.00 7.86 O HETATM 1121 O HOH A 293 13.667 23.549 38.899 1.00 15.20 O HETATM 1122 O HOH A 294 5.238 7.470 44.890 1.00 16.81 O HETATM 1123 O HOH A 295 5.668 20.614 13.692 1.00 9.83 O HETATM 1124 O HOH A 296 24.499 18.083 13.779 1.00 12.31 O HETATM 1125 O HOH A 297 17.444 13.914 13.609 1.00 27.15 O HETATM 1126 O HOH A 298 33.080 18.669 13.545 1.00 14.52 O HETATM 1127 O HOH A 299 22.721 32.363 17.771 1.00 34.39 O HETATM 1128 O HOH A 300 13.763 1.584 35.109 1.00 48.97 O HETATM 1129 O HOH A 301 14.253 6.387 19.765 1.00 34.92 O HETATM 1130 O HOH A 302 10.448 32.258 20.923 1.00 23.34 O HETATM 1131 O HOH A 303 7.099 28.471 23.955 1.00 21.72 O HETATM 1132 O HOH A 304 -2.279 17.157 27.245 1.00 28.07 O HETATM 1133 O HOH A 305 -1.606 23.792 31.899 1.00 18.96 O HETATM 1134 O HOH A 306 16.827 20.854 11.148 1.00 45.06 O HETATM 1135 O HOH A 307 8.410 28.334 12.312 1.00 23.94 O HETATM 1136 O HOH A 308 6.900 12.061 16.254 1.00 30.48 O HETATM 1137 O HOH A 309 -2.026 19.534 21.963 1.00 15.51 O HETATM 1138 O HOH A 310 8.959 -12.285 28.948 1.00 26.66 O HETATM 1139 O HOH A 311 -1.972 17.564 31.253 1.00 9.86 O HETATM 1140 O HOH A 312 18.969 8.104 36.521 1.00 16.56 O HETATM 1141 O HOH A 313 7.679 23.545 38.435 1.00 38.59 O HETATM 1142 O HOH A 314 -2.531 1.778 30.859 1.00 37.03 O HETATM 1143 O HOH A 315 -1.070 0.675 32.811 1.00 22.20 O HETATM 1144 O HOH A 316 0.522 17.326 21.068 1.00 7.02 O HETATM 1145 O HOH A 317 23.832 12.046 10.486 1.00 40.94 O HETATM 1146 O HOH A 318 13.844 25.233 10.245 1.00 32.03 O HETATM 1147 O HOH A 319 11.058 28.094 11.849 1.00 20.05 O HETATM 1148 O HOH A 320 14.908 17.909 11.086 1.00 30.80 O HETATM 1149 O HOH A 321 27.516 12.283 14.431 1.00 11.60 O HETATM 1150 O HOH A 322 5.851 16.076 14.226 1.00 17.43 O HETATM 1151 O HOH A 323 5.038 31.917 13.736 1.00 22.55 O HETATM 1152 O HOH A 324 10.501 15.614 15.070 1.00 19.25 O HETATM 1153 O HOH A 325 30.065 19.167 16.971 1.00 27.61 O HETATM 1154 O HOH A 326 7.869 34.082 18.209 1.00 27.24 O HETATM 1155 O HOH A 327 17.195 36.101 18.274 1.00 13.49 O HETATM 1156 O HOH A 328 30.408 13.768 22.616 1.00 20.56 O HETATM 1157 O HOH A 329 27.003 23.286 22.378 1.00 17.48 O HETATM 1158 O HOH A 330 11.263 6.723 24.340 1.00 24.45 O HETATM 1159 O HOH A 331 1.677 27.055 26.552 1.00 11.11 O HETATM 1160 O HOH A 332 30.043 7.213 28.676 1.00 32.59 O HETATM 1161 O HOH A 333 10.975 3.611 29.945 1.00 36.02 O HETATM 1162 O HOH A 334 14.556 6.648 31.138 1.00 53.96 O HETATM 1163 O HOH A 335 -1.144 6.941 31.508 1.00 13.14 O HETATM 1164 O HOH A 336 2.021 3.182 34.192 1.00 9.96 O HETATM 1165 O HOH A 337 4.304 23.239 33.316 1.00 7.48 O HETATM 1166 O HOH A 338 18.629 7.737 39.078 1.00 21.37 O HETATM 1167 O HOH A 339 22.739 23.526 38.984 1.00 52.73 O HETATM 1168 O HOH A 340 1.532 5.293 43.488 1.00 24.53 O HETATM 1169 O HOH A 341 5.956 20.095 42.525 1.00 23.47 O HETATM 1170 O HOH A 342 3.938 3.240 43.979 1.00 32.33 O HETATM 1171 O HOH A 343 7.686 38.238 23.847 1.00 23.65 O HETATM 1172 O HOH A 344 12.326 19.507 12.802 1.00 10.54 O HETATM 1173 O HOH A 345 -3.689 -0.931 36.598 1.00 53.60 O HETATM 1174 O HOH A 346 1.877 24.515 34.691 1.00 20.07 O HETATM 1175 O HOH A 347 24.425 30.438 27.244 1.00 51.30 O HETATM 1176 O HOH A 348 11.966 9.541 13.025 1.00 43.47 O HETATM 1177 O HOH A 349 9.414 -2.326 30.696 1.00 55.50 O HETATM 1178 O HOH A 350 24.280 28.453 19.411 1.00 40.34 O HETATM 1179 O HOH A 351 15.634 1.091 24.001 1.00 36.96 O HETATM 1180 O HOH A 352 -2.797 25.040 25.450 1.00 19.02 O HETATM 1181 O HOH A 353 3.320 28.964 27.760 1.00 36.76 O HETATM 1182 O HOH A 354 -0.545 -2.566 34.338 1.00 24.70 O HETATM 1183 O HOH A 355 7.867 31.184 14.988 1.00 28.69 O HETATM 1184 O HOH A 356 15.230 8.934 32.188 1.00 20.89 O HETATM 1185 O HOH A 357 32.577 12.164 20.293 1.00 40.24 O HETATM 1186 O HOH A 358 13.700 5.051 24.373 1.00 20.78 O HETATM 1187 O HOH A 359 7.660 20.906 39.248 1.00 29.82 O HETATM 1188 O HOH A 360 10.395 0.409 41.668 1.00 37.69 O HETATM 1189 O HOH A 361 12.466 17.321 43.212 1.00 26.79 O HETATM 1190 O HOH A 362 18.970 35.603 20.449 1.00 22.08 O HETATM 1191 O HOH A 363 8.645 9.470 45.792 1.00 25.60 O HETATM 1192 O HOH A 364 27.187 20.815 20.027 1.00 19.60 O HETATM 1193 O HOH A 365 25.285 23.084 19.499 1.00 20.29 O HETATM 1194 O HOH A 366 5.016 8.849 21.004 1.00 16.88 O HETATM 1195 O HOH A 367 9.024 22.150 11.219 1.00 23.52 O HETATM 1196 O HOH A 368 -3.334 17.049 24.890 1.00 18.65 O HETATM 1197 O HOH A 369 27.600 5.727 29.339 1.00 22.07 O HETATM 1198 O HOH A 370 3.922 22.118 39.399 1.00 22.23 O HETATM 1199 O HOH A 371 21.038 21.620 42.832 1.00 33.63 O HETATM 1200 O HOH A 372 7.705 12.681 13.136 1.00 32.64 O HETATM 1201 O HOH A 373 33.529 16.643 20.351 1.00 35.49 O HETATM 1202 O HOH A 374 22.629 -0.304 30.266 1.00 35.93 O HETATM 1203 O HOH A 375 14.004 11.097 45.240 1.00 35.37 O HETATM 1204 O HOH A 376 -1.131 9.214 24.524 1.00 42.31 O HETATM 1205 O HOH A 377 14.871 5.868 34.681 1.00 29.94 O HETATM 1206 O HOH A 378 2.636 12.839 12.209 1.00 27.72 O HETATM 1207 O HOH A 379 32.127 11.948 22.984 1.00 11.58 O HETATM 1208 O HOH A 380 26.402 4.914 26.718 1.00 30.59 O HETATM 1209 O HOH A 381 16.629 7.811 35.087 1.00 48.23 O HETATM 1210 O HOH A 382 8.707 10.610 18.184 1.00 35.02 O HETATM 1211 O HOH A 383 -3.040 -6.380 35.613 1.00 20.59 O HETATM 1212 O HOH A 384 20.527 28.042 10.393 1.00 37.53 O HETATM 1213 O HOH A 385 7.745 8.251 20.146 1.00 44.30 O HETATM 1214 O HOH A 386 26.625 19.190 11.807 1.00 18.76 O HETATM 1215 O HOH A 387 27.295 7.186 13.349 1.00 23.93 O HETATM 1216 O HOH A 389 21.728 13.334 16.752 1.00 20.26 O HETATM 1217 O HOH A 390 29.366 22.415 20.577 1.00 18.23 O HETATM 1218 O HOH A 391 4.576 27.182 23.287 1.00 15.60 O HETATM 1219 O HOH A 392 -5.440 10.729 24.424 1.00 9.28 O HETATM 1220 O HOH A 393 0.861 3.588 25.125 1.00 33.94 O HETATM 1221 O HOH A 394 2.606 -2.599 24.403 1.00 33.11 O HETATM 1222 O HOH A 395 16.428 16.208 12.667 1.00 24.54 O HETATM 1223 O HOH A 396 24.768 26.279 23.736 1.00 35.76 O HETATM 1224 O HOH A 397 23.626 33.083 25.857 1.00 28.94 O HETATM 1225 O HOH A 398 11.122 27.195 9.370 1.00 29.78 O HETATM 1226 O HOH A 399 15.960 5.848 12.273 1.00 33.75 O HETATM 1227 O HOH A 400 32.740 6.215 21.046 1.00 26.85 O HETATM 1228 O HOH A 402 16.154 5.285 37.132 1.00 26.39 O HETATM 1229 O HOH A 403 15.575 22.667 8.753 1.00 36.73 O HETATM 1230 O HOH A 404 11.530 23.685 12.240 1.00 33.91 O HETATM 1231 O HOH A 405 12.567 7.600 18.052 1.00 38.18 O HETATM 1232 O HOH A 406 15.998 1.768 18.901 1.00 31.01 O HETATM 1233 O HOH A 407 25.407 25.839 20.219 1.00 39.53 O HETATM 1234 O HOH A 408 12.943 6.786 21.973 1.00 39.90 O HETATM 1235 O HOH A 409 3.041 1.622 24.337 1.00 40.72 O HETATM 1236 O HOH A 410 30.756 6.785 24.970 1.00 42.06 O HETATM 1237 O HOH A 411 12.141 6.457 26.987 1.00 35.59 O HETATM 1238 O HOH A 412 17.548 5.309 33.621 1.00 31.41 O HETATM 1239 O HOH A 413 6.458 -7.096 26.715 1.00 34.78 O HETATM 1240 O HOH A 414 8.022 -0.994 25.991 1.00 46.26 O HETATM 1241 O HOH A 416 26.634 24.955 17.932 1.00 25.21 O HETATM 1242 O HOH A 417 -0.281 -2.799 25.367 1.00 35.16 O HETATM 1243 O HOH A 418 22.793 26.287 21.804 1.00 33.73 O HETATM 1244 O HOH A 419 1.518 22.292 15.758 1.00 41.25 O HETATM 1245 O HOH A 420 11.549 10.970 16.406 1.00 36.33 O HETATM 1246 O HOH A 421 1.086 25.728 19.862 1.00 22.05 O HETATM 1247 O HOH A 422 -0.363 26.181 28.376 1.00 40.16 O HETATM 1248 O HOH A 423 14.468 26.584 7.644 1.00 37.50 O HETATM 1249 O HOH A 424 23.131 22.998 10.491 1.00 40.25 O HETATM 1250 O HOH A 425 3.664 26.556 15.627 1.00 49.14 O HETATM 1251 O HOH A 426 33.399 19.467 19.490 1.00 41.32 O HETATM 1252 O HOH A 427 -3.013 24.723 28.228 1.00 35.60 O HETATM 1253 O HOH A 428 24.469 25.010 15.653 1.00 14.38 O HETATM 1254 O HOH A 429 6.022 29.627 26.584 1.00 33.85 O HETATM 1255 O HOH A 430 -1.785 -3.018 27.555 1.00 34.87 O HETATM 1256 O HOH A 431 -2.137 -0.604 29.257 1.00 33.79 O HETATM 1257 O HOH A 432 -0.137 1.034 24.148 1.00 41.93 O HETATM 1258 O HOH A 434 10.856 0.843 31.628 1.00 36.25 O HETATM 1259 O HOH A 435 6.397 25.457 40.304 1.00 47.92 O HETATM 1260 O HOH A 436 16.362 24.765 39.472 1.00 44.05 O HETATM 1261 O HOH A 437 22.591 14.316 43.981 1.00 40.42 O HETATM 1262 O HOH A 438 24.655 5.188 33.078 1.00 35.38 O HETATM 1263 O HOH A 439 14.839 3.584 22.231 1.00 38.62 O HETATM 1264 O HOH A 440 27.375 22.850 12.742 1.00 52.67 O HETATM 1265 O HOH A 441 28.814 21.071 10.654 1.00 34.45 O HETATM 1266 O HOH A 442 23.568 24.969 8.401 1.00 41.72 O HETATM 1267 O HOH A 444 26.592 25.130 13.806 1.00 37.81 O HETATM 1268 O HOH A 445 7.762 33.944 21.295 1.00 38.79 O HETATM 1269 O HOH A 446 4.871 31.633 24.160 1.00 45.46 O HETATM 1270 O HOH A 448 18.994 8.392 45.357 1.00 25.93 O HETATM 1271 O HOH A 449 5.341 30.832 18.947 1.00 43.34 O HETATM 1272 O HOH A 450 9.023 35.767 23.141 1.00 41.38 O HETATM 1273 O HOH A 451 28.235 30.977 25.459 1.00 26.46 O HETATM 1274 O HOH A 452 26.329 19.949 22.367 1.00 15.40 O HETATM 1275 O HOH A 453 25.315 -0.705 27.680 1.00 30.16 O HETATM 1276 O HOH A 454 23.466 1.912 29.108 1.00 37.05 O HETATM 1277 O HOH A 455 12.667 16.500 13.572 1.00 20.40 O HETATM 1278 O HOH A 456 10.026 7.273 21.986 1.00 34.77 O HETATM 1279 O HOH A 457 -3.643 8.803 26.150 1.00 36.69 O HETATM 1280 O HOH A 458 11.945 6.848 29.830 1.00 30.95 O HETATM 1281 O HOH A 460 4.813 24.438 17.276 1.00 38.42 O HETATM 1282 O HOH A 461 13.161 3.624 18.729 1.00 43.73 O HETATM 1283 O HOH A 462 5.063 28.213 17.491 1.00 38.64 O HETATM 1284 O HOH A 463 5.063 35.145 18.960 1.00 48.61 O HETATM 1285 O HOH A 465 27.384 26.653 22.204 1.00 35.01 O HETATM 1286 O HOH A 466 6.876 31.256 22.420 1.00 41.62 O HETATM 1287 O HOH A 467 16.846 35.863 23.019 1.00 42.46 O HETATM 1288 O HOH A 468 32.640 5.176 29.461 1.00 32.11 O HETATM 1289 O HOH A 469 12.978 4.789 33.106 1.00 39.90 O HETATM 1290 O HOH A 470 12.918 3.272 43.817 1.00 29.16 O HETATM 1291 O HOH A 471 19.002 6.130 43.737 1.00 32.59 O HETATM 1292 O HOH A 472 6.682 3.081 46.816 1.00 37.71 O HETATM 1293 O HOH A 473 20.600 27.781 7.566 1.00 45.35 O HETATM 1294 O HOH A 474 9.716 6.371 18.463 1.00 46.48 O HETATM 1295 O HOH A 475 5.472 -5.589 24.534 1.00 33.67 O HETATM 1296 O HOH A 476 21.429 35.068 26.312 1.00 42.49 O HETATM 1297 O HOH A 477 34.908 3.813 29.285 1.00 42.72 O HETATM 1298 O HOH A 478 29.789 4.181 24.570 1.00 47.15 O HETATM 1299 O HOH A 479 30.465 4.282 27.289 1.00 41.45 O HETATM 1300 O HOH A 480 28.182 2.089 26.312 1.00 44.76 O HETATM 1301 O HOH A 482 4.302 9.895 16.286 1.00 44.84 O HETATM 1302 O HOH A 483 25.025 21.352 12.093 1.00 44.58 O HETATM 1303 O HOH A 484 29.326 24.489 18.385 1.00 46.04 O HETATM 1304 O HOH A 485 31.022 24.881 16.245 1.00 37.46 O HETATM 1305 O HOH A 487 11.362 3.123 24.965 1.00 42.65 O HETATM 1306 O HOH A 488 24.847 2.923 34.807 1.00 37.12 O HETATM 1307 O HOH A 489 1.959 26.982 33.090 1.00 47.09 O HETATM 1308 O HOH A 490 2.858 29.621 15.666 1.00 48.05 O HETATM 1309 O HOH A 491 4.957 31.597 16.327 1.00 45.03 O HETATM 1310 O HOH A 492 4.432 31.817 28.137 1.00 42.11 O HETATM 1311 O HOH A 493 1.177 34.589 26.928 1.00 49.24 O HETATM 1312 O HOH A 494 26.406 28.090 14.263 1.00 39.37 O HETATM 1313 O HOH A 495 15.365 3.350 32.581 1.00 43.20 O HETATM 1314 O HOH A 497 16.440 22.242 38.928 1.00 57.04 O HETATM 1315 O HOH A 498 16.502 25.093 42.248 1.00 44.50 O HETATM 1316 O HOH A 499 22.540 4.006 38.054 1.00 43.03 O HETATM 1317 O HOH A 500 22.211 1.849 36.020 1.00 45.04 O HETATM 1318 O HOH A 501 30.972 23.094 11.200 1.00 46.72 O HETATM 1319 O HOH A 502 30.015 26.404 10.886 1.00 40.98 O HETATM 1320 O HOH A 503 0.853 36.483 24.700 1.00 41.00 O HETATM 1321 O HOH A 504 3.026 34.250 20.572 1.00 53.00 O HETATM 1322 O HOH A 505 1.557 33.815 23.616 1.00 50.65 O HETATM 1323 O HOH A 506 2.268 30.642 23.050 1.00 48.17 O HETATM 1324 O HOH A 507 5.800 5.740 46.950 1.00 42.81 O HETATM 1325 O HOH A 508 27.933 29.189 23.530 1.00 42.50 O HETATM 1326 O HOH A 509 24.629 31.950 21.124 1.00 51.24 O HETATM 1327 O HOH A 510 2.235 23.930 18.018 1.00 24.91 O HETATM 1328 O HOH A 511 7.183 29.004 16.221 1.00 49.14 O HETATM 1329 O HOH A 512 2.920 14.138 16.155 1.00 25.70 O HETATM 1330 O HOH A 513 2.254 15.289 13.574 1.00 35.84 O HETATM 1331 O HOH A 514 13.594 14.139 11.848 1.00 31.27 O HETATM 1332 O HOH A 516 -0.775 -6.023 37.447 1.00 23.10 O HETATM 1333 O HOH A 517 1.595 -5.667 39.042 1.00 23.66 O HETATM 1334 O HOH A 518 -2.115 -2.214 31.493 1.00 34.67 O HETATM 1335 O HOH A 519 -2.752 -3.261 37.823 1.00 44.15 O HETATM 1336 O HOH A 522 14.091 8.920 42.329 1.00 31.75 O HETATM 1337 O HOH A 523 16.432 6.454 39.506 1.00 35.74 O CONECT 53 1017 CONECT 243 916 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 916 243 CONECT 1017 53 MASTER 242 0 0 8 3 0 0 6 1336 1 8 10 END