HEADER HYDROLASE 02-JUL-07 2QHE TITLE CRYSTAL STRUCTURE OF SER49-PLA2 (ECARPHOLIN S) FROM ECHIS TITLE 2 CARINATUS SOCHUREKI SNAKE VENOM COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOLIPASE A2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ECARPHOLIN S, PHOSPHATIDYLCHOLINE 2-ACYLHYDROLASE; COMPND 5 EC: 3.1.1.4 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; SOURCE 3 ORGANISM_COMMON: SAW-SCALED VIPER; SOURCE 4 ORGANISM_TAXID: 40353; SOURCE 5 OTHER_DETAILS: SNAKE VENOM GLAND KEYWDS BETA SHEET, THREE HELICES, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR X.ZHOU,S.VALIYAVEETTIL,M.L.GO,R.M.KINI,J.SIVARAMAN REVDAT 3 24-FEB-09 2QHE 1 VERSN REVDAT 2 30-SEP-08 2QHE 1 JRNL REVDAT 1 16-OCT-07 2QHE 0 JRNL AUTH X.ZHOU,T.C.TAN,S.VALIYAVEETTIL,M.L.GO,R.M.KINI, JRNL AUTH 2 A.VELAZQUEZ-CAMPOY,J.SIVARAMAN JRNL TITL STRUCTURAL CHARACTERIZATION OF MYOTOXIC ECARPHOLIN JRNL TITL 2 S FROM ECHIS CARINATUS VENOM JRNL REF BIOPHYS.J. V. 95 3366 2008 JRNL REFN ISSN 0006-3495 JRNL PMID 18586854 JRNL DOI 10.1529/BIOPHYSJ.107.117747 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 110.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 94.3 REMARK 3 NUMBER OF REFLECTIONS : 6322 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.192 REMARK 3 FREE R VALUE : 0.255 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.100 REMARK 3 FREE R VALUE TEST SET COUNT : 611 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 : 12 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.06 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 441 REMARK 3 BIN R VALUE (WORKING SET) : 0.1960 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 : 959 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 96 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.55 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.03800 REMARK 3 B22 (A**2) : -0.10800 REMARK 3 B33 (A**2) : 0.06900 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.26 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.199 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.715 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.944 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.724 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 92.95 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2QHE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-JUL-07. REMARK 100 THE RCSB ID CODE IS RCSB043601. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-MAR-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 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 RUH3R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6463 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.7 REMARK 200 DATA REDUNDANCY : 5.000 REMARK 200 R MERGE (I) : 0.05100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 30.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.4 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 REMARK 200 R MERGE FOR SHELL (I) : 0.14000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1JIA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 26.90 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG3350, 20% ISO-PROPANOL, 0.1M REMARK 280 SODIUM CITRATE PH5.6, EVAPORATION, 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 17.11550 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.47100 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 19.74350 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.47100 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 17.11550 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 19.74350 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 SER A 24 17.32 -142.02 REMARK 500 ASP A 39 -170.00 -164.20 REMARK 500 SER A 90 -79.80 -35.67 REMARK 500 LYS A 132 -53.43 71.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2QHD RELATED DB: PDB REMARK 900 RELATED ID: 2QHG RELATED DB: PDB DBREF 2QHE A 1 133 UNP P48650 PA2N_ECHCA 1 122 SEQRES 1 A 122 SER VAL VAL GLU LEU GLY LYS MET ILE ILE GLN GLU THR SEQRES 2 A 122 GLY LYS SER PRO PHE PRO SER TYR THR SER TYR GLY CYS SEQRES 3 A 122 PHE CYS GLY GLY GLY GLU ARG GLY PRO PRO LEU ASP ALA SEQRES 4 A 122 THR ASP ARG CYS CYS LEU ALA HIS SER CYS CYS TYR ASP SEQRES 5 A 122 THR LEU PRO ASP CYS SER PRO LYS THR ASP ARG TYR LYS SEQRES 6 A 122 TYR LYS ARG GLU ASN GLY GLU ILE ILE CYS GLU ASN SER SEQRES 7 A 122 THR SER CYS LYS LYS ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 122 VAL ALA VAL CYS LEU ARG LYS ASN LEU ASN THR TYR ASN SEQRES 9 A 122 LYS LYS TYR THR TYR TYR PRO ASN PHE TRP CYS LYS GLY SEQRES 10 A 122 ASP ILE GLU LYS CYS FORMUL 2 HOH *96(H2 O) HELIX 1 1 SER A 1 GLY A 14 1 14 HELIX 2 2 SER A 17 TYR A 22 1 6 HELIX 3 3 ASP A 39 ASP A 53 1 15 HELIX 4 4 THR A 89 ASN A 109 1 21 HELIX 5 5 LEU A 110 TYR A 113 5 4 HELIX 6 6 ASN A 114 THR A 118 5 5 HELIX 7 7 PRO A 121 CYS A 126 5 5 SHEET 1 A 2 TYR A 75 GLU A 78 0 SHEET 2 A 2 GLU A 81 CYS A 84 -1 O ILE A 83 N LYS A 76 SSBOND 1 CYS A 27 CYS A 126 1555 1555 2.03 SSBOND 2 CYS A 29 CYS A 45 1555 1555 2.03 SSBOND 3 CYS A 44 CYS A 105 1555 1555 2.03 SSBOND 4 CYS A 50 CYS A 133 1555 1555 2.04 SSBOND 5 CYS A 51 CYS A 98 1555 1555 2.03 SSBOND 6 CYS A 61 CYS A 91 1555 1555 2.03 SSBOND 7 CYS A 84 CYS A 96 1555 1555 2.03 CISPEP 1 PHE A 19 PRO A 20 0 1.23 CISPEP 2 GLY A 35 PRO A 36 0 -0.80 CRYST1 34.231 39.487 68.942 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 0.029213 0.000000 0.000000 0.00000 SCALE2 0.000000 0.025325 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014505 0.00000 ATOM 1 N SER A 1 19.555 9.676 15.478 1.00 20.91 N ATOM 2 CA SER A 1 18.639 10.528 14.668 1.00 23.98 C ATOM 3 C SER A 1 18.993 10.405 13.187 1.00 24.95 C ATOM 4 O SER A 1 19.926 9.683 12.828 1.00 22.85 O ATOM 5 CB SER A 1 18.755 11.990 15.102 1.00 25.95 C ATOM 6 OG SER A 1 19.981 12.550 14.674 1.00 25.01 O ATOM 7 N VAL A 2 18.251 11.113 12.337 1.00 24.51 N ATOM 8 CA VAL A 2 18.487 11.082 10.898 1.00 27.52 C ATOM 9 C VAL A 2 19.942 11.331 10.522 1.00 26.51 C ATOM 10 O VAL A 2 20.425 10.790 9.528 1.00 26.46 O ATOM 11 CB VAL A 2 17.607 12.119 10.145 1.00 28.64 C ATOM 12 CG1 VAL A 2 16.152 11.730 10.240 1.00 30.69 C ATOM 13 CG2 VAL A 2 17.822 13.507 10.719 1.00 31.57 C ATOM 14 N VAL A 3 20.635 12.156 11.306 1.00 27.22 N ATOM 15 CA VAL A 3 22.042 12.456 11.043 1.00 27.40 C ATOM 16 C VAL A 3 22.917 11.208 11.098 1.00 27.09 C ATOM 17 O VAL A 3 23.635 10.895 10.148 1.00 25.45 O ATOM 18 CB VAL A 3 22.635 13.436 12.080 1.00 28.48 C ATOM 19 CG1 VAL A 3 24.108 13.670 11.781 1.00 31.13 C ATOM 20 CG2 VAL A 3 21.897 14.733 12.057 1.00 29.87 C ATOM 21 N GLU A 4 22.872 10.518 12.233 1.00 25.72 N ATOM 22 CA GLU A 4 23.681 9.320 12.431 1.00 24.58 C ATOM 23 C GLU A 4 23.266 8.179 11.508 1.00 24.91 C ATOM 24 O GLU A 4 24.111 7.430 11.018 1.00 25.50 O ATOM 25 CB GLU A 4 23.600 8.863 13.890 1.00 23.94 C ATOM 26 CG GLU A 4 24.073 9.899 14.904 1.00 23.78 C ATOM 27 CD GLU A 4 22.996 10.908 15.255 1.00 26.77 C ATOM 28 OE1 GLU A 4 21.858 10.763 14.762 1.00 24.49 O ATOM 29 OE2 GLU A 4 23.289 11.841 16.030 1.00 26.32 O ATOM 30 N LEU A 5 21.966 8.042 11.281 1.00 25.12 N ATOM 31 CA LEU A 5 21.466 6.997 10.397 1.00 25.62 C ATOM 32 C LEU A 5 22.045 7.189 9.000 1.00 25.59 C ATOM 33 O LEU A 5 22.531 6.244 8.381 1.00 25.68 O ATOM 34 CB LEU A 5 19.941 7.048 10.328 1.00 25.14 C ATOM 35 CG LEU A 5 19.295 6.173 9.251 1.00 25.96 C ATOM 36 CD1 LEU A 5 19.747 4.728 9.409 1.00 25.39 C ATOM 37 CD2 LEU A 5 17.781 6.285 9.355 1.00 26.63 C ATOM 38 N GLY A 6 21.989 8.421 8.509 1.00 25.12 N ATOM 39 CA GLY A 6 22.521 8.705 7.188 1.00 25.58 C ATOM 40 C GLY A 6 24.014 8.456 7.118 1.00 24.57 C ATOM 41 O GLY A 6 24.524 7.943 6.116 1.00 25.33 O ATOM 42 N LYS A 7 24.717 8.828 8.183 1.00 24.39 N ATOM 43 CA LYS A 7 26.161 8.641 8.254 1.00 25.88 C ATOM 44 C LYS A 7 26.488 7.166 8.085 1.00 24.85 C ATOM 45 O LYS A 7 27.368 6.805 7.312 1.00 24.78 O ATOM 46 CB LYS A 7 26.699 9.149 9.596 1.00 26.32 C ATOM 47 CG LYS A 7 28.217 9.150 9.688 1.00 27.93 C ATOM 48 CD LYS A 7 28.697 9.851 10.955 1.00 28.50 C ATOM 49 CE LYS A 7 30.212 9.798 11.078 1.00 32.56 C ATOM 50 NZ LYS A 7 30.705 10.461 12.323 1.00 34.18 N ATOM 51 N MET A 8 25.768 6.315 8.811 1.00 26.02 N ATOM 52 CA MET A 8 25.965 4.872 8.723 1.00 25.35 C ATOM 53 C MET A 8 25.657 4.363 7.323 1.00 26.54 C ATOM 54 O MET A 8 26.435 3.607 6.743 1.00 26.04 O ATOM 55 CB MET A 8 25.055 4.139 9.711 1.00 25.93 C ATOM 56 CG MET A 8 25.504 4.193 11.158 1.00 24.74 C ATOM 57 SD MET A 8 24.415 3.203 12.201 1.00 26.44 S ATOM 58 CE MET A 8 24.554 4.082 13.740 1.00 24.10 C ATOM 59 N ILE A 9 24.512 4.777 6.788 1.00 25.66 N ATOM 60 CA ILE A 9 24.096 4.344 5.459 1.00 27.03 C ATOM 61 C ILE A 9 25.145 4.707 4.426 1.00 25.70 C ATOM 62 O ILE A 9 25.542 3.870 3.620 1.00 26.01 O ATOM 63 CB ILE A 9 22.737 4.970 5.065 1.00 29.77 C ATOM 64 CG1 ILE A 9 21.644 4.468 6.012 1.00 31.34 C ATOM 65 CG2 ILE A 9 22.382 4.613 3.622 1.00 30.55 C ATOM 66 CD1 ILE A 9 21.464 2.971 6.003 1.00 36.56 C ATOM 67 N ILE A 10 25.598 5.956 4.459 1.00 25.97 N ATOM 68 CA ILE A 10 26.613 6.422 3.527 1.00 26.01 C ATOM 69 C ILE A 10 27.897 5.598 3.659 1.00 25.13 C ATOM 70 O ILE A 10 28.489 5.191 2.660 1.00 24.41 O ATOM 71 CB ILE A 10 26.936 7.917 3.768 1.00 25.97 C ATOM 72 CG1 ILE A 10 25.721 8.772 3.397 1.00 27.02 C ATOM 73 CG2 ILE A 10 28.152 8.340 2.944 1.00 29.88 C ATOM 74 CD1 ILE A 10 25.861 10.231 3.764 1.00 28.61 C ATOM 75 N GLN A 11 28.316 5.346 4.894 1.00 26.37 N ATOM 76 CA GLN A 11 29.540 4.585 5.142 1.00 27.39 C ATOM 77 C GLN A 11 29.446 3.128 4.716 1.00 27.60 C ATOM 78 O GLN A 11 30.428 2.546 4.259 1.00 29.77 O ATOM 79 CB GLN A 11 29.916 4.654 6.622 1.00 25.61 C ATOM 80 CG GLN A 11 30.122 6.071 7.132 1.00 28.64 C ATOM 81 CD GLN A 11 30.564 6.122 8.579 1.00 27.58 C ATOM 82 OE1 GLN A 11 30.028 5.413 9.429 1.00 32.50 O ATOM 83 NE2 GLN A 11 31.535 6.977 8.871 1.00 29.73 N ATOM 84 N GLU A 12 28.268 2.539 4.864 1.00 26.52 N ATOM 85 CA GLU A 12 28.080 1.141 4.502 1.00 28.72 C ATOM 86 C GLU A 12 27.754 0.885 3.028 1.00 28.39 C ATOM 87 O GLU A 12 28.234 -0.090 2.453 1.00 27.88 O ATOM 88 CB GLU A 12 26.980 0.518 5.370 1.00 28.20 C ATOM 89 CG GLU A 12 27.298 0.448 6.861 1.00 29.90 C ATOM 90 CD GLU A 12 28.541 -0.378 7.167 1.00 31.27 C ATOM 91 OE1 GLU A 12 28.704 -1.456 6.564 1.00 33.54 O ATOM 92 OE2 GLU A 12 29.349 0.046 8.021 1.00 34.02 O ATOM 93 N THR A 13 26.962 1.766 2.419 1.00 28.81 N ATOM 94 CA THR A 13 26.533 1.588 1.028 1.00 30.00 C ATOM 95 C THR A 13 27.110 2.527 -0.032 1.00 30.84 C ATOM 96 O THR A 13 27.111 2.194 -1.216 1.00 30.12 O ATOM 97 CB THR A 13 25.007 1.710 0.912 1.00 29.73 C ATOM 98 OG1 THR A 13 24.627 3.065 1.182 1.00 29.89 O ATOM 99 CG2 THR A 13 24.314 0.788 1.905 1.00 29.96 C ATOM 100 N GLY A 14 27.583 3.696 0.379 1.00 30.26 N ATOM 101 CA GLY A 14 28.108 4.638 -0.591 1.00 30.36 C ATOM 102 C GLY A 14 26.983 5.485 -1.161 1.00 30.38 C ATOM 103 O GLY A 14 27.206 6.345 -2.010 1.00 30.60 O ATOM 104 N LYS A 16 25.764 5.236 -0.690 1.00 29.48 N ATOM 105 CA LYS A 16 24.591 5.979 -1.137 1.00 28.85 C ATOM 106 C LYS A 16 24.035 6.831 0.002 1.00 28.15 C ATOM 107 O LYS A 16 24.175 6.481 1.169 1.00 26.39 O ATOM 108 CB LYS A 16 23.497 5.017 -1.608 1.00 29.69 C ATOM 109 CG LYS A 16 23.836 4.206 -2.844 1.00 30.52 C ATOM 110 CD LYS A 16 22.699 3.241 -3.169 1.00 31.89 C ATOM 111 CE LYS A 16 22.998 2.404 -4.402 1.00 33.17 C ATOM 112 NZ LYS A 16 23.258 3.250 -5.598 1.00 35.24 N ATOM 113 N SER A 17 23.397 7.944 -0.344 1.00 28.75 N ATOM 114 CA SER A 17 22.799 8.828 0.658 1.00 30.38 C ATOM 115 C SER A 17 21.328 8.455 0.817 1.00 29.58 C ATOM 116 O SER A 17 20.661 8.144 -0.168 1.00 26.47 O ATOM 117 CB SER A 17 22.895 10.287 0.207 1.00 31.76 C ATOM 118 OG SER A 17 24.233 10.648 -0.094 1.00 35.80 O ATOM 119 N PRO A 18 20.805 8.482 2.058 1.00 28.19 N ATOM 120 CA PRO A 18 19.398 8.140 2.297 1.00 27.54 C ATOM 121 C PRO A 18 18.483 8.869 1.317 1.00 28.68 C ATOM 122 O PRO A 18 17.521 8.301 0.802 1.00 28.40 O ATOM 123 CB PRO A 18 19.184 8.582 3.739 1.00 26.63 C ATOM 124 CG PRO A 18 20.506 8.279 4.361 1.00 28.75 C ATOM 125 CD PRO A 18 21.481 8.812 3.326 1.00 27.43 C ATOM 126 N PHE A 19 18.776 10.141 1.076 1.00 28.70 N ATOM 127 CA PHE A 19 17.994 10.908 0.125 1.00 30.10 C ATOM 128 C PHE A 19 18.862 11.076 -1.114 1.00 31.05 C ATOM 129 O PHE A 19 19.970 11.607 -1.029 1.00 30.19 O ATOM 130 CB PHE A 19 17.634 12.286 0.677 1.00 30.75 C ATOM 131 CG PHE A 19 16.763 13.088 -0.244 1.00 33.24 C ATOM 132 CD1 PHE A 19 15.425 12.750 -0.424 1.00 33.92 C ATOM 133 CD2 PHE A 19 17.292 14.144 -0.979 1.00 34.68 C ATOM 134 CE1 PHE A 19 14.624 13.458 -1.317 1.00 34.38 C ATOM 135 CE2 PHE A 19 16.503 14.858 -1.874 1.00 35.67 C ATOM 136 CZ PHE A 19 15.166 14.510 -2.048 1.00 36.68 C ATOM 137 N PRO A 20 18.366 10.643 -2.283 1.00 31.00 N ATOM 138 CA PRO A 20 17.049 10.040 -2.498 1.00 31.81 C ATOM 139 C PRO A 20 17.069 8.520 -2.683 1.00 31.30 C ATOM 140 O PRO A 20 16.053 7.932 -3.045 1.00 32.95 O ATOM 141 CB PRO A 20 16.580 10.732 -3.759 1.00 34.12 C ATOM 142 CG PRO A 20 17.844 10.692 -4.585 1.00 31.76 C ATOM 143 CD PRO A 20 18.947 11.058 -3.576 1.00 33.45 C ATOM 144 N SER A 21 18.213 7.891 -2.434 1.00 30.46 N ATOM 145 CA SER A 21 18.345 6.446 -2.624 1.00 30.38 C ATOM 146 C SER A 21 17.444 5.527 -1.791 1.00 29.32 C ATOM 147 O SER A 21 17.022 4.474 -2.277 1.00 30.14 O ATOM 148 CB SER A 21 19.802 6.025 -2.416 1.00 27.61 C ATOM 149 OG SER A 21 20.640 6.585 -3.412 1.00 29.94 O ATOM 150 N TYR A 22 17.146 5.905 -0.553 1.00 28.14 N ATOM 151 CA TYR A 22 16.321 5.052 0.300 1.00 30.72 C ATOM 152 C TYR A 22 15.107 5.724 0.954 1.00 31.51 C ATOM 153 O TYR A 22 14.283 5.047 1.568 1.00 32.66 O ATOM 154 CB TYR A 22 17.190 4.431 1.403 1.00 28.44 C ATOM 155 CG TYR A 22 18.318 3.540 0.913 1.00 28.56 C ATOM 156 CD1 TYR A 22 18.056 2.283 0.371 1.00 28.12 C ATOM 157 CD2 TYR A 22 19.653 3.952 1.002 1.00 28.60 C ATOM 158 CE1 TYR A 22 19.092 1.454 -0.072 1.00 27.54 C ATOM 159 CE2 TYR A 22 20.697 3.130 0.562 1.00 27.98 C ATOM 160 CZ TYR A 22 20.407 1.882 0.027 1.00 28.90 C ATOM 161 OH TYR A 22 21.424 1.058 -0.410 1.00 28.03 O ATOM 162 N THR A 23 14.979 7.041 0.830 1.00 33.05 N ATOM 163 CA THR A 23 13.855 7.730 1.467 1.00 32.54 C ATOM 164 C THR A 23 12.454 7.357 0.969 1.00 30.75 C ATOM 165 O THR A 23 11.467 7.605 1.661 1.00 28.66 O ATOM 166 CB THR A 23 14.028 9.272 1.402 1.00 33.21 C ATOM 167 OG1 THR A 23 14.480 9.658 0.099 1.00 34.72 O ATOM 168 CG2 THR A 23 15.037 9.736 2.442 1.00 35.50 C ATOM 169 N SER A 24 12.360 6.747 -0.211 1.00 31.04 N ATOM 170 CA SER A 24 11.057 6.361 -0.759 1.00 27.80 C ATOM 171 C SER A 24 11.116 5.016 -1.481 1.00 27.53 C ATOM 172 O SER A 24 10.218 4.673 -2.254 1.00 25.26 O ATOM 173 CB SER A 24 10.563 7.444 -1.727 1.00 31.06 C ATOM 174 OG SER A 24 11.496 7.664 -2.777 1.00 31.15 O ATOM 175 N TYR A 25 12.172 4.254 -1.210 1.00 25.21 N ATOM 176 CA TYR A 25 12.384 2.962 -1.852 1.00 24.33 C ATOM 177 C TYR A 25 11.298 1.932 -1.547 1.00 25.30 C ATOM 178 O TYR A 25 10.852 1.786 -0.403 1.00 23.84 O ATOM 179 CB TYR A 25 13.755 2.394 -1.447 1.00 24.08 C ATOM 180 CG TYR A 25 14.242 1.233 -2.298 1.00 24.04 C ATOM 181 CD1 TYR A 25 15.192 1.426 -3.306 1.00 24.71 C ATOM 182 CD2 TYR A 25 13.763 -0.061 -2.089 1.00 24.56 C ATOM 183 CE1 TYR A 25 15.655 0.350 -4.084 1.00 24.40 C ATOM 184 CE2 TYR A 25 14.217 -1.141 -2.861 1.00 22.96 C ATOM 185 CZ TYR A 25 15.164 -0.929 -3.854 1.00 24.53 C ATOM 186 OH TYR A 25 15.639 -1.996 -4.595 1.00 22.58 O ATOM 187 N GLY A 26 10.881 1.221 -2.591 1.00 23.38 N ATOM 188 CA GLY A 26 9.873 0.185 -2.450 1.00 23.74 C ATOM 189 C GLY A 26 8.635 0.560 -1.663 1.00 25.74 C ATOM 190 O GLY A 26 8.098 1.659 -1.809 1.00 26.74 O ATOM 191 N CYS A 27 8.186 -0.367 -0.822 1.00 25.44 N ATOM 192 CA CYS A 27 6.997 -0.175 -0.007 1.00 24.67 C ATOM 193 C CYS A 27 7.268 0.214 1.438 1.00 26.02 C ATOM 194 O CYS A 27 6.420 0.829 2.079 1.00 27.71 O ATOM 195 CB CYS A 27 6.149 -1.453 -0.005 1.00 25.37 C ATOM 196 SG CYS A 27 5.307 -1.768 -1.581 1.00 27.91 S ATOM 197 N PHE A 28 8.446 -0.132 1.950 1.00 24.08 N ATOM 198 CA PHE A 28 8.757 0.143 3.347 1.00 25.46 C ATOM 199 C PHE A 28 9.816 1.179 3.679 1.00 25.16 C ATOM 200 O PHE A 28 9.855 1.666 4.806 1.00 25.96 O ATOM 201 CB PHE A 28 9.102 -1.176 4.042 1.00 24.28 C ATOM 202 CG PHE A 28 7.961 -2.147 4.073 1.00 25.12 C ATOM 203 CD1 PHE A 28 7.039 -2.122 5.112 1.00 25.66 C ATOM 204 CD2 PHE A 28 7.772 -3.044 3.029 1.00 25.55 C ATOM 205 CE1 PHE A 28 5.940 -2.983 5.113 1.00 27.82 C ATOM 206 CE2 PHE A 28 6.681 -3.908 3.016 1.00 25.99 C ATOM 207 CZ PHE A 28 5.760 -3.875 4.058 1.00 26.69 C ATOM 208 N CYS A 29 10.675 1.527 2.727 1.00 26.30 N ATOM 209 CA CYS A 29 11.708 2.515 3.023 1.00 26.01 C ATOM 210 C CYS A 29 11.113 3.909 3.178 1.00 26.45 C ATOM 211 O CYS A 29 10.315 4.353 2.350 1.00 26.53 O ATOM 212 CB CYS A 29 12.792 2.509 1.940 1.00 25.44 C ATOM 213 SG CYS A 29 13.692 0.930 1.823 1.00 25.75 S ATOM 214 N GLY A 30 11.504 4.586 4.257 1.00 26.55 N ATOM 215 CA GLY A 30 10.999 5.918 4.535 1.00 29.57 C ATOM 216 C GLY A 30 9.665 5.855 5.252 1.00 30.64 C ATOM 217 O GLY A 30 9.118 6.877 5.671 1.00 32.40 O ATOM 218 N GLY A 31 9.141 4.643 5.397 1.00 32.12 N ATOM 219 CA GLY A 31 7.862 4.458 6.055 1.00 32.40 C ATOM 220 C GLY A 31 6.986 3.526 5.242 1.00 34.29 C ATOM 221 O GLY A 31 7.274 3.274 4.075 1.00 34.70 O ATOM 222 N GLY A 32 5.921 3.015 5.855 1.00 35.00 N ATOM 223 CA GLY A 32 5.021 2.103 5.167 1.00 36.22 C ATOM 224 C GLY A 32 4.736 0.856 5.989 1.00 37.86 C ATOM 225 O GLY A 32 5.615 0.368 6.703 1.00 37.19 O ATOM 226 N GLU A 33 3.510 0.343 5.901 1.00 38.43 N ATOM 227 CA GLU A 33 3.125 -0.856 6.646 1.00 39.78 C ATOM 228 C GLU A 33 2.545 -1.931 5.734 1.00 39.61 C ATOM 229 O GLU A 33 2.443 -3.098 6.122 1.00 38.59 O ATOM 230 CB GLU A 33 2.078 -0.527 7.715 1.00 41.70 C ATOM 231 CG GLU A 33 2.473 0.529 8.732 1.00 45.02 C ATOM 232 CD GLU A 33 2.063 1.924 8.312 1.00 45.94 C ATOM 233 OE1 GLU A 33 0.943 2.070 7.778 1.00 46.65 O ATOM 234 OE2 GLU A 33 2.849 2.872 8.528 1.00 48.26 O ATOM 235 N ARG A 34 2.160 -1.525 4.527 1.00 38.27 N ATOM 236 CA ARG A 34 1.561 -2.422 3.543 1.00 39.59 C ATOM 237 C ARG A 34 2.622 -2.990 2.604 1.00 37.27 C ATOM 238 O ARG A 34 3.472 -2.256 2.103 1.00 36.10 O ATOM 239 CB ARG A 34 0.525 -1.656 2.714 1.00 42.32 C ATOM 240 CG ARG A 34 -0.661 -2.475 2.243 1.00 44.72 C ATOM 241 CD ARG A 34 -1.760 -2.433 3.283 1.00 49.32 C ATOM 242 NE ARG A 34 -2.029 -3.746 3.856 1.00 51.41 N ATOM 243 CZ ARG A 34 -2.711 -3.938 4.979 1.00 52.60 C ATOM 244 NH1 ARG A 34 -3.187 -2.897 5.648 1.00 53.42 N ATOM 245 NH2 ARG A 34 -2.919 -5.169 5.430 1.00 54.82 N ATOM 246 N GLY A 35 2.553 -4.292 2.347 1.00 36.76 N ATOM 247 CA GLY A 35 3.525 -4.918 1.471 1.00 34.94 C ATOM 248 C GLY A 35 2.939 -5.571 0.233 1.00 33.79 C ATOM 249 O GLY A 35 1.918 -5.120 -0.288 1.00 35.62 O ATOM 250 N PRO A 36 3.570 -6.645 -0.265 1.00 32.36 N ATOM 251 CA PRO A 36 4.795 -7.211 0.304 1.00 31.19 C ATOM 252 C PRO A 36 6.029 -6.400 -0.071 1.00 29.90 C ATOM 253 O PRO A 36 5.967 -5.516 -0.926 1.00 30.82 O ATOM 254 CB PRO A 36 4.829 -8.604 -0.303 1.00 31.67 C ATOM 255 CG PRO A 36 4.284 -8.356 -1.670 1.00 32.78 C ATOM 256 CD PRO A 36 3.091 -7.469 -1.387 1.00 31.93 C ATOM 257 N PRO A 37 7.167 -6.678 0.579 1.00 28.83 N ATOM 258 CA PRO A 37 8.382 -5.931 0.244 1.00 27.87 C ATOM 259 C PRO A 37 8.755 -6.308 -1.189 1.00 27.58 C ATOM 260 O PRO A 37 8.552 -7.452 -1.606 1.00 25.35 O ATOM 261 CB PRO A 37 9.395 -6.442 1.265 1.00 27.44 C ATOM 262 CG PRO A 37 8.534 -6.818 2.436 1.00 28.91 C ATOM 263 CD PRO A 37 7.384 -7.525 1.762 1.00 29.20 C ATOM 264 N LEU A 38 9.296 -5.358 -1.941 1.00 26.91 N ATOM 265 CA LEU A 38 9.656 -5.626 -3.329 1.00 28.35 C ATOM 266 C LEU A 38 10.914 -6.467 -3.480 1.00 27.49 C ATOM 267 O LEU A 38 11.059 -7.215 -4.448 1.00 26.54 O ATOM 268 CB LEU A 38 9.824 -4.310 -4.087 1.00 30.27 C ATOM 269 CG LEU A 38 8.544 -3.485 -4.231 1.00 31.51 C ATOM 270 CD1 LEU A 38 8.849 -2.210 -4.990 1.00 32.42 C ATOM 271 CD2 LEU A 38 7.489 -4.303 -4.962 1.00 33.80 C ATOM 272 N ASP A 39 11.829 -6.335 -2.530 1.00 25.67 N ATOM 273 CA ASP A 39 13.074 -7.088 -2.578 1.00 27.05 C ATOM 274 C ASP A 39 13.759 -7.063 -1.220 1.00 27.07 C ATOM 275 O ASP A 39 13.172 -6.616 -0.234 1.00 26.36 O ATOM 276 CB ASP A 39 14.003 -6.507 -3.649 1.00 25.09 C ATOM 277 CG ASP A 39 14.306 -5.032 -3.431 1.00 25.84 C ATOM 278 OD1 ASP A 39 13.870 -4.463 -2.403 1.00 22.45 O ATOM 279 OD2 ASP A 39 14.987 -4.441 -4.293 1.00 26.74 O ATOM 280 N ALA A 40 15.000 -7.536 -1.179 1.00 26.80 N ATOM 281 CA ALA A 40 15.774 -7.591 0.060 1.00 26.64 C ATOM 282 C ALA A 40 16.018 -6.213 0.685 1.00 27.40 C ATOM 283 O ALA A 40 15.964 -6.063 1.909 1.00 26.58 O ATOM 284 CB ALA A 40 17.099 -8.297 -0.197 1.00 28.09 C ATOM 285 N THR A 41 16.302 -5.215 -0.147 1.00 26.52 N ATOM 286 CA THR A 41 16.526 -3.863 0.352 1.00 26.54 C ATOM 287 C THR A 41 15.258 -3.384 1.056 1.00 26.72 C ATOM 288 O THR A 41 15.311 -2.852 2.164 1.00 24.78 O ATOM 289 CB THR A 41 16.868 -2.875 -0.801 1.00 27.15 C ATOM 290 OG1 THR A 41 18.200 -3.126 -1.271 1.00 28.05 O ATOM 291 CG2 THR A 41 16.767 -1.426 -0.322 1.00 26.74 C ATOM 292 N ASP A 42 14.116 -3.594 0.408 1.00 25.24 N ATOM 293 CA ASP A 42 12.836 -3.176 0.966 1.00 24.18 C ATOM 294 C ASP A 42 12.551 -3.907 2.278 1.00 24.32 C ATOM 295 O ASP A 42 11.905 -3.361 3.172 1.00 24.43 O ATOM 296 CB ASP A 42 11.715 -3.430 -0.050 1.00 22.38 C ATOM 297 CG ASP A 42 10.467 -2.615 0.243 1.00 23.68 C ATOM 298 OD1 ASP A 42 10.577 -1.582 0.942 1.00 17.98 O ATOM 299 OD2 ASP A 42 9.379 -3.001 -0.231 1.00 21.65 O ATOM 300 N ARG A 43 13.045 -5.137 2.398 1.00 24.79 N ATOM 301 CA ARG A 43 12.845 -5.913 3.616 1.00 25.03 C ATOM 302 C ARG A 43 13.711 -5.344 4.740 1.00 26.34 C ATOM 303 O ARG A 43 13.339 -5.414 5.908 1.00 26.84 O ATOM 304 CB ARG A 43 13.187 -7.386 3.379 1.00 27.33 C ATOM 305 CG ARG A 43 12.348 -8.037 2.288 1.00 28.97 C ATOM 306 CD ARG A 43 12.435 -9.555 2.317 1.00 31.46 C ATOM 307 NE ARG A 43 11.794 -10.144 1.143 1.00 33.26 N ATOM 308 CZ ARG A 43 12.409 -10.367 -0.014 1.00 32.73 C ATOM 309 NH1 ARG A 43 13.691 -10.059 -0.156 1.00 33.48 N ATOM 310 NH2 ARG A 43 11.740 -10.885 -1.036 1.00 34.34 N ATOM 311 N CYS A 44 14.867 -4.786 4.382 1.00 24.33 N ATOM 312 CA CYS A 44 15.758 -4.183 5.372 1.00 24.16 C ATOM 313 C CYS A 44 15.025 -3.024 6.036 1.00 24.75 C ATOM 314 O CYS A 44 15.142 -2.801 7.243 1.00 22.59 O ATOM 315 CB CYS A 44 17.020 -3.631 4.708 1.00 25.31 C ATOM 316 SG CYS A 44 18.218 -4.842 4.067 1.00 26.14 S ATOM 317 N CYS A 45 14.280 -2.280 5.225 1.00 24.26 N ATOM 318 CA CYS A 45 13.521 -1.138 5.710 1.00 24.62 C ATOM 319 C CYS A 45 12.352 -1.594 6.570 1.00 24.07 C ATOM 320 O CYS A 45 12.014 -0.951 7.567 1.00 23.01 O ATOM 321 CB CYS A 45 13.033 -0.298 4.527 1.00 23.65 C ATOM 322 SG CYS A 45 14.384 0.613 3.706 1.00 26.32 S ATOM 323 N LEU A 46 11.732 -2.703 6.177 1.00 24.08 N ATOM 324 CA LEU A 46 10.623 -3.264 6.939 1.00 23.41 C ATOM 325 C LEU A 46 11.132 -3.577 8.343 1.00 22.91 C ATOM 326 O LEU A 46 10.492 -3.249 9.348 1.00 20.77 O ATOM 327 CB LEU A 46 10.117 -4.551 6.279 1.00 25.29 C ATOM 328 CG LEU A 46 9.290 -5.506 7.151 1.00 27.49 C ATOM 329 CD1 LEU A 46 7.976 -4.847 7.555 1.00 27.38 C ATOM 330 CD2 LEU A 46 9.025 -6.791 6.377 1.00 28.45 C ATOM 331 N ALA A 47 12.293 -4.219 8.398 1.00 22.27 N ATOM 332 CA ALA A 47 12.907 -4.582 9.664 1.00 23.24 C ATOM 333 C ALA A 47 13.253 -3.338 10.474 1.00 23.95 C ATOM 334 O ALA A 47 13.163 -3.342 11.704 1.00 24.24 O ATOM 335 CB ALA A 47 14.161 -5.409 9.413 1.00 23.23 C ATOM 336 N HIS A 48 13.642 -2.275 9.777 1.00 24.83 N ATOM 337 CA HIS A 48 14.015 -1.023 10.424 1.00 26.41 C ATOM 338 C HIS A 48 12.808 -0.352 11.090 1.00 25.21 C ATOM 339 O HIS A 48 12.906 0.124 12.219 1.00 25.14 O ATOM 340 CB HIS A 48 14.658 -0.081 9.396 1.00 25.41 C ATOM 341 CG HIS A 48 15.296 1.134 9.997 1.00 23.56 C ATOM 342 ND1 HIS A 48 16.283 1.063 10.958 1.00 25.93 N ATOM 343 CD2 HIS A 48 15.111 2.452 9.751 1.00 22.80 C ATOM 344 CE1 HIS A 48 16.676 2.282 11.277 1.00 22.75 C ATOM 345 NE2 HIS A 48 15.980 3.145 10.557 1.00 26.45 N ATOM 346 N SER A 49 11.674 -0.314 10.400 1.00 23.83 N ATOM 347 CA SER A 49 10.475 0.295 10.978 1.00 26.49 C ATOM 348 C SER A 49 9.963 -0.562 12.141 1.00 25.50 C ATOM 349 O SER A 49 9.479 -0.036 13.150 1.00 25.49 O ATOM 350 CB SER A 49 9.386 0.463 9.910 1.00 24.96 C ATOM 351 OG SER A 49 9.762 1.452 8.966 1.00 27.12 O ATOM 352 N CYS A 50 10.077 -1.881 12.001 1.00 25.86 N ATOM 353 CA CYS A 50 9.659 -2.794 13.062 1.00 27.05 C ATOM 354 C CYS A 50 10.523 -2.523 14.287 1.00 26.62 C ATOM 355 O CYS A 50 10.049 -2.566 15.424 1.00 26.73 O ATOM 356 CB CYS A 50 9.834 -4.251 12.625 1.00 28.18 C ATOM 357 SG CYS A 50 9.457 -5.456 13.934 1.00 30.17 S ATOM 358 N CYS A 51 11.797 -2.232 14.044 1.00 26.56 N ATOM 359 CA CYS A 51 12.732 -1.934 15.123 1.00 25.74 C ATOM 360 C CYS A 51 12.289 -0.647 15.821 1.00 25.14 C ATOM 361 O CYS A 51 12.126 -0.619 17.041 1.00 25.21 O ATOM 362 CB CYS A 51 14.146 -1.763 14.566 1.00 27.96 C ATOM 363 SG CYS A 51 15.505 -2.034 15.760 1.00 28.28 S ATOM 364 N TYR A 52 12.096 0.416 15.044 1.00 23.28 N ATOM 365 CA TYR A 52 11.646 1.696 15.594 1.00 24.97 C ATOM 366 C TYR A 52 10.333 1.537 16.372 1.00 26.81 C ATOM 367 O TYR A 52 10.080 2.250 17.346 1.00 24.74 O ATOM 368 CB TYR A 52 11.447 2.714 14.465 1.00 25.82 C ATOM 369 CG TYR A 52 12.710 3.419 13.994 1.00 24.55 C ATOM 370 CD1 TYR A 52 13.978 3.025 14.442 1.00 25.76 C ATOM 371 CD2 TYR A 52 12.632 4.494 13.109 1.00 26.36 C ATOM 372 CE1 TYR A 52 15.138 3.698 14.018 1.00 24.30 C ATOM 373 CE2 TYR A 52 13.780 5.170 12.678 1.00 24.70 C ATOM 374 CZ TYR A 52 15.025 4.770 13.137 1.00 24.21 C ATOM 375 OH TYR A 52 16.150 5.469 12.738 1.00 22.63 O ATOM 376 N ASP A 53 9.494 0.603 15.941 1.00 27.71 N ATOM 377 CA ASP A 53 8.220 0.382 16.613 1.00 30.18 C ATOM 378 C ASP A 53 8.345 -0.167 18.029 1.00 30.09 C ATOM 379 O ASP A 53 7.391 -0.102 18.800 1.00 33.71 O ATOM 380 CB ASP A 53 7.323 -0.520 15.768 1.00 32.27 C ATOM 381 CG ASP A 53 6.557 0.256 14.715 1.00 35.57 C ATOM 382 OD1 ASP A 53 6.955 1.404 14.415 1.00 39.61 O ATOM 383 OD2 ASP A 53 5.564 -0.280 14.183 1.00 37.99 O ATOM 384 N THR A 54 9.509 -0.704 18.380 1.00 29.46 N ATOM 385 CA THR A 54 9.708 -1.208 19.733 1.00 29.28 C ATOM 386 C THR A 54 10.330 -0.096 20.575 1.00 29.58 C ATOM 387 O THR A 54 10.809 -0.334 21.668 1.00 30.69 O ATOM 388 CB THR A 54 10.654 -2.423 19.767 1.00 31.14 C ATOM 389 OG1 THR A 54 11.948 -2.034 19.290 1.00 29.11 O ATOM 390 CG2 THR A 54 10.104 -3.555 18.914 1.00 30.54 C ATOM 391 N LEU A 55 10.330 1.120 20.040 1.00 27.21 N ATOM 392 CA LEU A 55 10.892 2.293 20.710 1.00 27.86 C ATOM 393 C LEU A 55 9.827 3.381 20.924 1.00 27.65 C ATOM 394 O LEU A 55 10.044 4.547 20.581 1.00 26.45 O ATOM 395 CB LEU A 55 12.025 2.862 19.849 1.00 28.08 C ATOM 396 CG LEU A 55 13.459 2.320 19.941 1.00 30.13 C ATOM 397 CD1 LEU A 55 13.464 0.839 20.244 1.00 30.82 C ATOM 398 CD2 LEU A 55 14.205 2.627 18.650 1.00 31.40 C ATOM 399 N PRO A 59 8.684 3.026 21.539 1.00 27.42 N ATOM 400 CA PRO A 59 7.624 4.017 21.758 1.00 28.29 C ATOM 401 C PRO A 59 7.943 5.160 22.724 1.00 28.56 C ATOM 402 O PRO A 59 7.328 6.229 22.653 1.00 27.81 O ATOM 403 CB PRO A 59 6.463 3.160 22.248 1.00 29.65 C ATOM 404 CG PRO A 59 7.157 2.158 23.098 1.00 28.40 C ATOM 405 CD PRO A 59 8.388 1.783 22.276 1.00 28.14 C ATOM 406 N ASP A 60 8.896 4.935 23.623 1.00 29.18 N ATOM 407 CA ASP A 60 9.285 5.942 24.606 1.00 29.61 C ATOM 408 C ASP A 60 10.397 6.831 24.065 1.00 28.85 C ATOM 409 O ASP A 60 10.934 7.673 24.781 1.00 27.75 O ATOM 410 CB ASP A 60 9.760 5.250 25.889 1.00 32.26 C ATOM 411 CG ASP A 60 10.967 4.355 25.656 1.00 35.82 C ATOM 412 OD1 ASP A 60 12.099 4.795 25.934 1.00 40.99 O ATOM 413 OD2 ASP A 60 10.788 3.217 25.175 1.00 34.92 O ATOM 414 N CYS A 61 10.722 6.653 22.790 1.00 27.54 N ATOM 415 CA CYS A 61 11.797 7.411 22.162 1.00 26.78 C ATOM 416 C CYS A 61 11.353 8.162 20.914 1.00 27.82 C ATOM 417 O CYS A 61 10.226 8.006 20.445 1.00 28.14 O ATOM 418 CB CYS A 61 12.923 6.460 21.757 1.00 27.56 C ATOM 419 SG CYS A 61 13.457 5.273 23.029 1.00 28.23 S ATOM 420 N SER A 67 12.265 8.967 20.377 1.00 27.08 N ATOM 421 CA SER A 67 12.023 9.722 19.152 1.00 27.27 C ATOM 422 C SER A 67 13.176 9.376 18.214 1.00 26.29 C ATOM 423 O SER A 67 14.107 10.161 18.031 1.00 26.08 O ATOM 424 CB SER A 67 12.003 11.226 19.434 1.00 28.23 C ATOM 425 OG SER A 67 11.584 11.941 18.286 1.00 26.11 O ATOM 426 N PRO A 68 13.124 8.179 17.611 1.00 26.37 N ATOM 427 CA PRO A 68 14.124 7.640 16.685 1.00 25.09 C ATOM 428 C PRO A 68 14.714 8.598 15.659 1.00 27.16 C ATOM 429 O PRO A 68 15.919 8.575 15.405 1.00 26.28 O ATOM 430 CB PRO A 68 13.382 6.484 16.025 1.00 24.98 C ATOM 431 CG PRO A 68 12.528 5.982 17.126 1.00 25.37 C ATOM 432 CD PRO A 68 11.972 7.262 17.711 1.00 25.42 C ATOM 433 N LYS A 69 13.878 9.446 15.072 1.00 27.70 N ATOM 434 CA LYS A 69 14.369 10.363 14.051 1.00 29.83 C ATOM 435 C LYS A 69 15.008 11.648 14.557 1.00 29.20 C ATOM 436 O LYS A 69 15.724 12.314 13.811 1.00 28.79 O ATOM 437 CB LYS A 69 13.243 10.693 13.067 1.00 32.69 C ATOM 438 CG LYS A 69 12.697 9.459 12.361 1.00 34.47 C ATOM 439 CD LYS A 69 11.848 9.814 11.151 1.00 37.86 C ATOM 440 CE LYS A 69 11.407 8.549 10.422 1.00 38.70 C ATOM 441 NZ LYS A 69 10.743 8.845 9.127 1.00 42.72 N ATOM 442 N THR A 70 14.782 11.992 15.821 1.00 28.54 N ATOM 443 CA THR A 70 15.355 13.220 16.358 1.00 28.61 C ATOM 444 C THR A 70 16.322 13.059 17.532 1.00 28.92 C ATOM 445 O THR A 70 17.053 13.993 17.863 1.00 26.95 O ATOM 446 CB THR A 70 14.249 14.196 16.773 1.00 29.62 C ATOM 447 OG1 THR A 70 13.376 13.554 17.706 1.00 31.75 O ATOM 448 CG2 THR A 70 13.450 14.640 15.556 1.00 30.64 C ATOM 449 N ASP A 71 16.333 11.895 18.171 1.00 28.36 N ATOM 450 CA ASP A 71 17.249 11.689 19.291 1.00 28.57 C ATOM 451 C ASP A 71 18.639 11.358 18.774 1.00 27.60 C ATOM 452 O ASP A 71 18.829 10.349 18.101 1.00 29.02 O ATOM 453 CB ASP A 71 16.766 10.559 20.204 1.00 31.02 C ATOM 454 CG ASP A 71 15.562 10.954 21.035 1.00 35.54 C ATOM 455 OD1 ASP A 71 15.571 12.076 21.585 1.00 37.83 O ATOM 456 OD2 ASP A 71 14.616 10.141 21.152 1.00 38.27 O ATOM 457 N ARG A 72 19.608 12.211 19.088 1.00 25.31 N ATOM 458 CA ARG A 72 20.979 11.991 18.649 1.00 26.21 C ATOM 459 C ARG A 72 21.614 10.887 19.484 1.00 24.76 C ATOM 460 O ARG A 72 21.092 10.514 20.529 1.00 23.63 O ATOM 461 CB ARG A 72 21.796 13.277 18.806 1.00 31.05 C ATOM 462 CG ARG A 72 21.230 14.454 18.041 1.00 35.14 C ATOM 463 CD ARG A 72 21.377 14.246 16.556 1.00 39.51 C ATOM 464 NE ARG A 72 20.285 14.851 15.797 1.00 42.41 N ATOM 465 CZ ARG A 72 19.928 16.126 15.879 1.00 41.96 C ATOM 466 NH1 ARG A 72 20.576 16.943 16.694 1.00 46.53 N ATOM 467 NH2 ARG A 72 18.928 16.588 15.139 1.00 40.33 N ATOM 468 N TYR A 73 22.729 10.354 19.006 1.00 24.19 N ATOM 469 CA TYR A 73 23.455 9.321 19.738 1.00 25.37 C ATOM 470 C TYR A 73 24.877 9.246 19.222 1.00 25.47 C ATOM 471 O TYR A 73 25.191 9.775 18.158 1.00 24.67 O ATOM 472 CB TYR A 73 22.765 7.955 19.618 1.00 24.77 C ATOM 473 CG TYR A 73 22.605 7.437 18.205 1.00 23.91 C ATOM 474 CD1 TYR A 73 23.654 6.796 17.547 1.00 23.67 C ATOM 475 CD2 TYR A 73 21.397 7.588 17.527 1.00 22.58 C ATOM 476 CE1 TYR A 73 23.500 6.312 16.239 1.00 23.99 C ATOM 477 CE2 TYR A 73 21.233 7.113 16.224 1.00 24.24 C ATOM 478 CZ TYR A 73 22.285 6.475 15.587 1.00 25.06 C ATOM 479 OH TYR A 73 22.119 6.007 14.299 1.00 22.03 O ATOM 480 N LYS A 74 25.743 8.590 19.982 1.00 25.67 N ATOM 481 CA LYS A 74 27.136 8.478 19.584 1.00 25.08 C ATOM 482 C LYS A 74 27.510 7.068 19.189 1.00 25.30 C ATOM 483 O LYS A 74 26.995 6.093 19.738 1.00 25.48 O ATOM 484 CB LYS A 74 28.050 8.942 20.723 1.00 24.11 C ATOM 485 CG LYS A 74 27.807 8.215 22.040 1.00 23.07 C ATOM 486 CD LYS A 74 28.855 8.592 23.072 1.00 22.44 C ATOM 487 CE LYS A 74 28.589 7.944 24.422 1.00 19.00 C ATOM 488 NZ LYS A 74 29.610 8.370 25.414 1.00 19.05 N ATOM 489 N TYR A 75 28.406 6.968 18.214 1.00 26.13 N ATOM 490 CA TYR A 75 28.886 5.678 17.768 1.00 27.43 C ATOM 491 C TYR A 75 30.256 5.844 17.135 1.00 28.52 C ATOM 492 O TYR A 75 30.636 6.940 16.704 1.00 26.24 O ATOM 493 CB TYR A 75 27.893 5.040 16.784 1.00 26.81 C ATOM 494 CG TYR A 75 28.061 5.418 15.329 1.00 27.98 C ATOM 495 CD1 TYR A 75 29.026 4.799 14.530 1.00 26.83 C ATOM 496 CD2 TYR A 75 27.218 6.357 14.734 1.00 27.72 C ATOM 497 CE1 TYR A 75 29.143 5.105 13.176 1.00 28.66 C ATOM 498 CE2 TYR A 75 27.327 6.669 13.380 1.00 28.32 C ATOM 499 CZ TYR A 75 28.289 6.039 12.606 1.00 27.53 C ATOM 500 OH TYR A 75 28.383 6.338 11.262 1.00 28.98 O ATOM 501 N LYS A 76 31.002 4.749 17.108 1.00 30.31 N ATOM 502 CA LYS A 76 32.331 4.740 16.531 1.00 32.18 C ATOM 503 C LYS A 76 32.448 3.491 15.679 1.00 32.99 C ATOM 504 O LYS A 76 31.515 2.696 15.592 1.00 32.86 O ATOM 505 CB LYS A 76 33.385 4.707 17.635 1.00 33.42 C ATOM 506 CG LYS A 76 33.282 3.491 18.537 1.00 34.07 C ATOM 507 CD LYS A 76 34.468 3.408 19.486 1.00 36.15 C ATOM 508 CE LYS A 76 34.369 2.197 20.398 1.00 34.91 C ATOM 509 NZ LYS A 76 35.593 2.051 21.235 1.00 36.90 N ATOM 510 N ARG A 77 33.599 3.319 15.052 1.00 35.46 N ATOM 511 CA ARG A 77 33.822 2.156 14.216 1.00 39.25 C ATOM 512 C ARG A 77 35.160 1.550 14.588 1.00 40.47 C ATOM 513 O ARG A 77 36.206 2.128 14.306 1.00 42.38 O ATOM 514 CB ARG A 77 33.815 2.568 12.748 1.00 38.55 C ATOM 515 CG ARG A 77 33.889 1.413 11.778 1.00 41.42 C ATOM 516 CD ARG A 77 33.886 1.928 10.354 1.00 40.83 C ATOM 517 NE ARG A 77 32.594 2.481 9.956 1.00 39.68 N ATOM 518 CZ ARG A 77 31.558 1.747 9.561 1.00 38.87 C ATOM 519 NH1 ARG A 77 31.661 0.428 9.512 1.00 38.71 N ATOM 520 NH2 ARG A 77 30.422 2.331 9.207 1.00 39.01 N ATOM 521 N GLU A 78 35.126 0.398 15.248 1.00 42.76 N ATOM 522 CA GLU A 78 36.355 -0.272 15.648 1.00 43.50 C ATOM 523 C GLU A 78 36.488 -1.595 14.907 1.00 42.51 C ATOM 524 O GLU A 78 35.591 -2.437 14.946 1.00 41.30 O ATOM 525 CB GLU A 78 36.373 -0.507 17.162 1.00 47.89 C ATOM 526 CG GLU A 78 35.252 -1.389 17.680 1.00 52.79 C ATOM 527 CD GLU A 78 35.340 -1.622 19.176 1.00 55.72 C ATOM 528 OE1 GLU A 78 35.297 -0.631 19.937 1.00 57.41 O ATOM 529 OE2 GLU A 78 35.451 -2.798 19.591 1.00 58.00 O ATOM 530 N ASN A 79 37.619 -1.767 14.230 1.00 41.43 N ATOM 531 CA ASN A 79 37.876 -2.971 13.457 1.00 38.42 C ATOM 532 C ASN A 79 36.780 -3.129 12.412 1.00 37.39 C ATOM 533 O ASN A 79 36.310 -4.236 12.140 1.00 36.06 O ATOM 534 CB ASN A 79 37.928 -4.194 14.374 1.00 40.10 C ATOM 535 CG ASN A 79 38.989 -4.062 15.451 1.00 42.47 C ATOM 536 OD1 ASN A 79 38.767 -3.428 16.484 1.00 44.30 O ATOM 537 ND2 ASN A 79 40.156 -4.644 15.205 1.00 40.27 N ATOM 538 N GLY A 80 36.372 -1.993 11.851 1.00 35.59 N ATOM 539 CA GLY A 80 35.356 -1.970 10.815 1.00 34.90 C ATOM 540 C GLY A 80 33.899 -2.055 11.235 1.00 33.84 C ATOM 541 O GLY A 80 33.015 -1.702 10.456 1.00 32.16 O ATOM 542 N GLU A 81 33.633 -2.511 12.453 1.00 33.74 N ATOM 543 CA GLU A 81 32.254 -2.648 12.904 1.00 33.54 C ATOM 544 C GLU A 81 31.681 -1.416 13.591 1.00 31.68 C ATOM 545 O GLU A 81 32.383 -0.692 14.291 1.00 30.88 O ATOM 546 CB GLU A 81 32.120 -3.862 13.832 1.00 35.55 C ATOM 547 CG GLU A 81 30.752 -3.980 14.493 1.00 40.60 C ATOM 548 CD GLU A 81 30.543 -5.307 15.198 1.00 44.91 C ATOM 549 OE1 GLU A 81 31.453 -5.743 15.935 1.00 46.99 O ATOM 550 OE2 GLU A 81 29.462 -5.910 15.023 1.00 47.02 O ATOM 551 N ILE A 82 30.390 -1.188 13.372 1.00 30.20 N ATOM 552 CA ILE A 82 29.690 -0.066 13.987 1.00 30.11 C ATOM 553 C ILE A 82 29.489 -0.384 15.457 1.00 29.05 C ATOM 554 O ILE A 82 28.868 -1.388 15.802 1.00 30.26 O ATOM 555 CB ILE A 82 28.301 0.158 13.353 1.00 29.35 C ATOM 556 CG1 ILE A 82 28.459 0.643 11.913 1.00 29.58 C ATOM 557 CG2 ILE A 82 27.510 1.179 14.172 1.00 29.40 C ATOM 558 CD1 ILE A 82 29.152 1.977 11.807 1.00 33.14 C ATOM 559 N ILE A 83 30.018 0.469 16.325 1.00 28.89 N ATOM 560 CA ILE A 83 29.875 0.253 17.754 1.00 27.50 C ATOM 561 C ILE A 83 29.112 1.400 18.391 1.00 26.97 C ATOM 562 O ILE A 83 29.593 2.535 18.429 1.00 28.08 O ATOM 563 CB ILE A 83 31.246 0.128 18.450 1.00 29.10 C ATOM 564 CG1 ILE A 83 32.046 -1.020 17.833 1.00 29.19 C ATOM 565 CG2 ILE A 83 31.054 -0.101 19.934 1.00 29.42 C ATOM 566 CD1 ILE A 83 31.383 -2.370 17.937 1.00 29.83 C ATOM 567 N CYS A 84 27.915 1.093 18.877 1.00 26.06 N ATOM 568 CA CYS A 84 27.070 2.076 19.539 1.00 26.54 C ATOM 569 C CYS A 84 27.667 2.318 20.913 1.00 25.90 C ATOM 570 O CYS A 84 27.777 1.395 21.718 1.00 29.00 O ATOM 571 CB CYS A 84 25.648 1.540 19.657 1.00 26.03 C ATOM 572 SG CYS A 84 24.847 1.355 18.035 1.00 27.14 S ATOM 573 N GLU A 85 28.048 3.563 21.174 1.00 27.39 N ATOM 574 CA GLU A 85 28.695 3.935 22.431 1.00 28.25 C ATOM 575 C GLU A 85 27.815 4.303 23.630 1.00 27.96 C ATOM 576 O GLU A 85 28.313 4.383 24.754 1.00 27.23 O ATOM 577 CB GLU A 85 29.665 5.084 22.159 1.00 30.95 C ATOM 578 CG GLU A 85 30.716 4.767 21.106 1.00 32.35 C ATOM 579 CD GLU A 85 31.563 5.971 20.751 1.00 32.08 C ATOM 580 OE1 GLU A 85 31.020 6.944 20.187 1.00 34.63 O ATOM 581 OE2 GLU A 85 32.773 5.945 21.039 1.00 33.87 O ATOM 582 N ASN A 86 26.523 4.523 23.412 1.00 28.06 N ATOM 583 CA ASN A 86 25.635 4.910 24.510 1.00 28.67 C ATOM 584 C ASN A 86 25.158 3.824 25.465 1.00 29.81 C ATOM 585 O ASN A 86 25.051 2.652 25.105 1.00 29.39 O ATOM 586 CB ASN A 86 24.387 5.606 23.965 1.00 27.35 C ATOM 587 CG ASN A 86 24.624 7.050 23.637 1.00 26.29 C ATOM 588 OD1 ASN A 86 24.916 7.857 24.519 1.00 26.23 O ATOM 589 ND2 ASN A 86 24.500 7.393 22.362 1.00 23.78 N ATOM 590 N SER A 88 24.874 4.244 26.696 1.00 31.15 N ATOM 591 CA SER A 88 24.321 3.362 27.713 1.00 32.18 C ATOM 592 C SER A 88 22.906 3.918 27.880 1.00 33.27 C ATOM 593 O SER A 88 21.965 3.182 28.185 1.00 34.86 O ATOM 594 CB SER A 88 25.087 3.472 29.035 1.00 31.69 C ATOM 595 OG SER A 88 24.865 4.725 29.658 1.00 32.55 O ATOM 596 N THR A 89 22.774 5.229 27.664 1.00 32.07 N ATOM 597 CA THR A 89 21.486 5.910 27.761 1.00 32.34 C ATOM 598 C THR A 89 20.509 5.115 26.914 1.00 30.54 C ATOM 599 O THR A 89 20.711 4.940 25.715 1.00 29.10 O ATOM 600 CB THR A 89 21.562 7.351 27.231 1.00 33.88 C ATOM 601 OG1 THR A 89 22.574 8.070 27.949 1.00 38.40 O ATOM 602 CG2 THR A 89 20.225 8.056 27.425 1.00 35.29 C ATOM 603 N SER A 90 19.447 4.646 27.556 1.00 28.35 N ATOM 604 CA SER A 90 18.450 3.807 26.916 1.00 26.37 C ATOM 605 C SER A 90 18.104 4.079 25.457 1.00 25.87 C ATOM 606 O SER A 90 18.572 3.372 24.572 1.00 24.91 O ATOM 607 CB SER A 90 17.175 3.794 27.758 1.00 28.85 C ATOM 608 OG SER A 90 16.396 2.651 27.455 1.00 27.98 O ATOM 609 N CYS A 91 17.269 5.081 25.208 1.00 25.19 N ATOM 610 CA CYS A 91 16.854 5.407 23.851 1.00 25.47 C ATOM 611 C CYS A 91 18.004 5.569 22.859 1.00 25.09 C ATOM 612 O CYS A 91 17.946 5.043 21.752 1.00 22.68 O ATOM 613 CB CYS A 91 16.004 6.678 23.850 1.00 25.21 C ATOM 614 SG CYS A 91 14.294 6.461 24.443 1.00 27.03 S ATOM 615 N LYS A 92 19.044 6.299 23.250 1.00 23.58 N ATOM 616 CA LYS A 92 20.186 6.521 22.371 1.00 23.83 C ATOM 617 C LYS A 92 20.849 5.222 21.901 1.00 24.86 C ATOM 618 O LYS A 92 21.161 5.067 20.722 1.00 24.55 O ATOM 619 CB LYS A 92 21.212 7.411 23.071 1.00 25.93 C ATOM 620 CG LYS A 92 20.802 8.877 23.147 1.00 27.64 C ATOM 621 CD LYS A 92 21.798 9.692 23.953 1.00 29.19 C ATOM 622 CE LYS A 92 21.761 11.161 23.556 1.00 31.35 C ATOM 623 NZ LYS A 92 20.375 11.700 23.474 1.00 32.99 N ATOM 624 N LYS A 93 21.050 4.289 22.826 1.00 25.84 N ATOM 625 CA LYS A 93 21.675 3.006 22.506 1.00 27.37 C ATOM 626 C LYS A 93 20.768 2.152 21.621 1.00 26.47 C ATOM 627 O LYS A 93 21.226 1.548 20.650 1.00 24.14 O ATOM 628 CB LYS A 93 21.998 2.248 23.799 1.00 28.46 C ATOM 629 CG LYS A 93 22.636 0.874 23.609 1.00 28.99 C ATOM 630 CD LYS A 93 23.949 0.961 22.848 1.00 31.73 C ATOM 631 CE LYS A 93 24.710 -0.365 22.894 1.00 33.31 C ATOM 632 NZ LYS A 93 23.957 -1.491 22.273 1.00 33.27 N ATOM 633 N ARG A 94 19.482 2.103 21.962 1.00 25.56 N ATOM 634 CA ARG A 94 18.523 1.315 21.194 1.00 27.50 C ATOM 635 C ARG A 94 18.374 1.784 19.753 1.00 26.30 C ATOM 636 O ARG A 94 18.465 0.983 18.828 1.00 28.05 O ATOM 637 CB ARG A 94 17.154 1.334 21.864 1.00 28.58 C ATOM 638 CG ARG A 94 17.088 0.495 23.107 1.00 31.96 C ATOM 639 CD ARG A 94 15.660 0.091 23.386 1.00 37.98 C ATOM 640 NE ARG A 94 14.808 1.188 23.819 1.00 38.22 N ATOM 641 CZ ARG A 94 15.150 2.045 24.768 1.00 41.06 C ATOM 642 NH1 ARG A 94 16.328 1.920 25.358 1.00 43.79 N ATOM 643 NH2 ARG A 94 14.317 3.006 25.137 1.00 36.86 N ATOM 644 N ILE A 95 18.121 3.076 19.570 1.00 25.75 N ATOM 645 CA ILE A 95 17.972 3.645 18.233 1.00 26.44 C ATOM 646 C ILE A 95 19.221 3.356 17.399 1.00 25.45 C ATOM 647 O ILE A 95 19.132 3.002 16.224 1.00 26.11 O ATOM 648 CB ILE A 95 17.760 5.175 18.295 1.00 26.27 C ATOM 649 CG1 ILE A 95 16.443 5.489 19.008 1.00 27.84 C ATOM 650 CG2 ILE A 95 17.742 5.757 16.888 1.00 26.24 C ATOM 651 CD1 ILE A 95 16.244 6.957 19.309 1.00 29.61 C ATOM 652 N CYS A 96 20.384 3.508 18.017 1.00 25.42 N ATOM 653 CA CYS A 96 21.643 3.258 17.327 1.00 25.85 C ATOM 654 C CYS A 96 21.731 1.810 16.851 1.00 24.41 C ATOM 655 O CYS A 96 22.185 1.546 15.743 1.00 24.64 O ATOM 656 CB CYS A 96 22.822 3.581 18.251 1.00 26.47 C ATOM 657 SG CYS A 96 24.456 3.276 17.507 1.00 25.08 S ATOM 658 N GLU A 97 21.291 0.871 17.685 1.00 24.72 N ATOM 659 CA GLU A 97 21.329 -0.534 17.305 1.00 25.25 C ATOM 660 C GLU A 97 20.368 -0.792 16.144 1.00 24.99 C ATOM 661 O GLU A 97 20.632 -1.633 15.285 1.00 24.45 O ATOM 662 CB GLU A 97 20.973 -1.432 18.494 1.00 25.95 C ATOM 663 CG GLU A 97 22.055 -1.535 19.573 1.00 27.85 C ATOM 664 CD GLU A 97 23.374 -2.087 19.047 1.00 29.62 C ATOM 665 OE1 GLU A 97 23.361 -2.835 18.046 1.00 29.24 O ATOM 666 OE2 GLU A 97 24.427 -1.785 19.647 1.00 31.00 O ATOM 667 N CYS A 98 19.250 -0.071 16.125 1.00 23.93 N ATOM 668 CA CYS A 98 18.276 -0.215 15.048 1.00 24.81 C ATOM 669 C CYS A 98 18.849 0.293 13.725 1.00 24.65 C ATOM 670 O CYS A 98 18.599 -0.287 12.661 1.00 25.96 O ATOM 671 CB CYS A 98 16.999 0.568 15.362 1.00 25.46 C ATOM 672 SG CYS A 98 15.852 -0.199 16.552 1.00 25.01 S ATOM 673 N ASP A 99 19.596 1.391 13.793 1.00 24.52 N ATOM 674 CA ASP A 99 20.201 1.982 12.606 1.00 23.91 C ATOM 675 C ASP A 99 21.368 1.149 12.094 1.00 23.64 C ATOM 676 O ASP A 99 21.532 0.978 10.889 1.00 23.38 O ATOM 677 CB ASP A 99 20.670 3.408 12.901 1.00 24.72 C ATOM 678 CG ASP A 99 19.513 4.355 13.184 1.00 26.67 C ATOM 679 OD1 ASP A 99 18.351 3.945 12.974 1.00 21.42 O ATOM 680 OD2 ASP A 99 19.767 5.506 13.604 1.00 25.14 O ATOM 681 N LYS A 100 22.181 0.639 13.014 1.00 24.46 N ATOM 682 CA LYS A 100 23.317 -0.190 12.631 1.00 24.50 C ATOM 683 C LYS A 100 22.807 -1.388 11.842 1.00 24.04 C ATOM 684 O LYS A 100 23.392 -1.773 10.828 1.00 24.55 O ATOM 685 CB LYS A 100 24.061 -0.686 13.874 1.00 24.57 C ATOM 686 CG LYS A 100 25.161 -1.697 13.580 1.00 24.65 C ATOM 687 CD LYS A 100 25.771 -2.233 14.865 1.00 25.02 C ATOM 688 CE LYS A 100 26.691 -3.414 14.590 1.00 27.58 C ATOM 689 NZ LYS A 100 27.365 -3.870 15.840 1.00 28.80 N ATOM 690 N ALA A 101 21.712 -1.971 12.322 1.00 24.57 N ATOM 691 CA ALA A 101 21.113 -3.136 11.687 1.00 24.53 C ATOM 692 C ALA A 101 20.658 -2.846 10.269 1.00 24.97 C ATOM 693 O ALA A 101 20.893 -3.645 9.363 1.00 27.33 O ATOM 694 CB ALA A 101 19.935 -3.637 12.516 1.00 25.46 C ATOM 695 N VAL A 102 20.001 -1.711 10.064 1.00 24.23 N ATOM 696 CA VAL A 102 19.543 -1.395 8.724 1.00 22.15 C ATOM 697 C VAL A 102 20.702 -0.992 7.813 1.00 23.35 C ATOM 698 O VAL A 102 20.709 -1.342 6.640 1.00 24.30 O ATOM 699 CB VAL A 102 18.460 -0.284 8.731 1.00 23.81 C ATOM 700 CG1 VAL A 102 19.060 1.055 9.143 1.00 23.55 C ATOM 701 CG2 VAL A 102 17.815 -0.191 7.354 1.00 20.78 C ATOM 702 N ALA A 103 21.690 -0.277 8.344 1.00 23.93 N ATOM 703 CA ALA A 103 22.825 0.137 7.519 1.00 24.89 C ATOM 704 C ALA A 103 23.532 -1.090 6.947 1.00 26.20 C ATOM 705 O ALA A 103 23.776 -1.176 5.740 1.00 25.95 O ATOM 706 CB ALA A 103 23.807 0.975 8.340 1.00 22.48 C ATOM 707 N VAL A 104 23.852 -2.037 7.821 1.00 25.46 N ATOM 708 CA VAL A 104 24.526 -3.264 7.414 1.00 26.69 C ATOM 709 C VAL A 104 23.658 -4.135 6.501 1.00 26.58 C ATOM 710 O VAL A 104 24.161 -4.761 5.569 1.00 26.34 O ATOM 711 CB VAL A 104 24.952 -4.087 8.641 1.00 27.35 C ATOM 712 CG1 VAL A 104 25.481 -5.456 8.201 1.00 30.55 C ATOM 713 CG2 VAL A 104 26.026 -3.327 9.423 1.00 26.16 C ATOM 714 N CYS A 105 22.357 -4.174 6.767 1.00 27.26 N ATOM 715 CA CYS A 105 21.444 -4.968 5.943 1.00 26.79 C ATOM 716 C CYS A 105 21.447 -4.431 4.512 1.00 25.79 C ATOM 717 O CYS A 105 21.575 -5.195 3.558 1.00 25.76 O ATOM 718 CB CYS A 105 20.029 -4.908 6.525 1.00 26.57 C ATOM 719 SG CYS A 105 18.741 -5.916 5.708 1.00 27.69 S ATOM 720 N LEU A 106 21.314 -3.116 4.365 1.00 25.18 N ATOM 721 CA LEU A 106 21.304 -2.499 3.041 1.00 25.61 C ATOM 722 C LEU A 106 22.593 -2.806 2.289 1.00 26.40 C ATOM 723 O LEU A 106 22.584 -3.000 1.073 1.00 24.87 O ATOM 724 CB LEU A 106 21.106 -0.987 3.163 1.00 24.28 C ATOM 725 CG LEU A 106 19.738 -0.594 3.731 1.00 24.00 C ATOM 726 CD1 LEU A 106 19.669 0.913 3.931 1.00 21.83 C ATOM 727 CD2 LEU A 106 18.641 -1.069 2.782 1.00 21.18 C ATOM 728 N ARG A 107 23.699 -2.849 3.021 1.00 28.15 N ATOM 729 CA ARG A 107 24.997 -3.155 2.435 1.00 31.55 C ATOM 730 C ARG A 107 24.978 -4.587 1.905 1.00 30.35 C ATOM 731 O ARG A 107 25.313 -4.837 0.750 1.00 30.66 O ATOM 732 CB ARG A 107 26.094 -3.017 3.491 1.00 34.06 C ATOM 733 CG ARG A 107 27.506 -3.262 2.981 1.00 36.66 C ATOM 734 CD ARG A 107 28.452 -3.444 4.154 1.00 40.41 C ATOM 735 NE ARG A 107 28.238 -4.735 4.804 1.00 43.17 N ATOM 736 CZ ARG A 107 28.560 -5.012 6.064 1.00 43.68 C ATOM 737 NH1 ARG A 107 29.113 -4.087 6.836 1.00 42.65 N ATOM 738 NH2 ARG A 107 28.335 -6.225 6.551 1.00 44.58 N ATOM 739 N LYS A 108 24.580 -5.517 2.764 1.00 30.99 N ATOM 740 CA LYS A 108 24.507 -6.933 2.417 1.00 32.09 C ATOM 741 C LYS A 108 23.635 -7.236 1.203 1.00 30.74 C ATOM 742 O LYS A 108 23.870 -8.212 0.490 1.00 31.15 O ATOM 743 CB LYS A 108 23.977 -7.735 3.608 1.00 33.72 C ATOM 744 CG LYS A 108 24.989 -7.956 4.713 1.00 37.70 C ATOM 745 CD LYS A 108 26.103 -8.872 4.235 1.00 41.28 C ATOM 746 CE LYS A 108 27.081 -9.186 5.353 1.00 44.66 C ATOM 747 NZ LYS A 108 28.187 -10.053 4.870 1.00 44.87 N ATOM 748 N ASN A 109 22.631 -6.401 0.974 1.00 29.40 N ATOM 749 CA ASN A 109 21.704 -6.599 -0.135 1.00 29.24 C ATOM 750 C ASN A 109 21.867 -5.560 -1.236 1.00 27.90 C ATOM 751 O ASN A 109 21.004 -5.411 -2.102 1.00 27.83 O ATOM 752 CB ASN A 109 20.276 -6.557 0.403 1.00 29.37 C ATOM 753 CG ASN A 109 19.982 -7.702 1.348 1.00 30.62 C ATOM 754 OD1 ASN A 109 19.765 -8.833 0.916 1.00 31.44 O ATOM 755 ND2 ASN A 109 19.989 -7.420 2.647 1.00 31.67 N ATOM 756 N LEU A 110 22.985 -4.849 -1.203 1.00 26.71 N ATOM 757 CA LEU A 110 23.257 -3.805 -2.183 1.00 26.28 C ATOM 758 C LEU A 110 23.250 -4.286 -3.636 1.00 26.38 C ATOM 759 O LEU A 110 22.857 -3.545 -4.541 1.00 27.19 O ATOM 760 CB LEU A 110 24.601 -3.154 -1.852 1.00 28.52 C ATOM 761 CG LEU A 110 24.894 -1.748 -2.366 1.00 30.09 C ATOM 762 CD1 LEU A 110 23.728 -0.813 -2.040 1.00 29.99 C ATOM 763 CD2 LEU A 110 26.187 -1.252 -1.718 1.00 31.64 C ATOM 764 N ASN A 111 23.668 -5.527 -3.866 1.00 24.55 N ATOM 765 CA ASN A 111 23.724 -6.058 -5.227 1.00 25.49 C ATOM 766 C ASN A 111 22.368 -6.219 -5.919 1.00 25.01 C ATOM 767 O ASN A 111 22.312 -6.465 -7.124 1.00 24.94 O ATOM 768 CB ASN A 111 24.472 -7.399 -5.242 1.00 24.73 C ATOM 769 CG ASN A 111 24.873 -7.828 -6.643 1.00 22.24 C ATOM 770 OD1 ASN A 111 25.583 -7.109 -7.345 1.00 24.04 O ATOM 771 ND2 ASN A 111 24.429 -9.006 -7.050 1.00 22.09 N ATOM 772 N THR A 112 21.275 -6.094 -5.172 1.00 26.55 N ATOM 773 CA THR A 112 19.953 -6.214 -5.782 1.00 26.38 C ATOM 774 C THR A 112 19.176 -4.896 -5.748 1.00 27.44 C ATOM 775 O THR A 112 18.010 -4.840 -6.138 1.00 29.42 O ATOM 776 CB THR A 112 19.109 -7.340 -5.123 1.00 27.47 C ATOM 777 OG1 THR A 112 18.994 -7.113 -3.715 1.00 27.82 O ATOM 778 CG2 THR A 112 19.763 -8.693 -5.359 1.00 28.18 C ATOM 779 N TYR A 113 19.828 -3.833 -5.286 1.00 26.43 N ATOM 780 CA TYR A 113 19.195 -2.520 -5.242 1.00 25.53 C ATOM 781 C TYR A 113 18.701 -2.240 -6.659 1.00 25.60 C ATOM 782 O TYR A 113 19.471 -2.342 -7.617 1.00 27.22 O ATOM 783 CB TYR A 113 20.219 -1.451 -4.832 1.00 27.27 C ATOM 784 CG TYR A 113 19.659 -0.045 -4.762 1.00 26.34 C ATOM 785 CD1 TYR A 113 19.185 0.485 -3.559 1.00 28.48 C ATOM 786 CD2 TYR A 113 19.596 0.754 -5.903 1.00 29.06 C ATOM 787 CE1 TYR A 113 18.661 1.780 -3.498 1.00 29.55 C ATOM 788 CE2 TYR A 113 19.072 2.049 -5.853 1.00 30.40 C ATOM 789 CZ TYR A 113 18.609 2.555 -4.652 1.00 31.00 C ATOM 790 OH TYR A 113 18.091 3.832 -4.609 1.00 29.89 O ATOM 791 N ASN A 114 17.425 -1.899 -6.799 1.00 24.16 N ATOM 792 CA ASN A 114 16.859 -1.624 -8.115 1.00 25.18 C ATOM 793 C ASN A 114 16.462 -0.153 -8.238 1.00 26.30 C ATOM 794 O ASN A 114 15.622 0.330 -7.477 1.00 24.49 O ATOM 795 CB ASN A 114 15.625 -2.506 -8.352 1.00 25.29 C ATOM 796 CG ASN A 114 15.149 -2.465 -9.791 1.00 25.29 C ATOM 797 OD1 ASN A 114 15.315 -1.464 -10.479 1.00 26.29 O ATOM 798 ND2 ASN A 114 14.549 -3.554 -10.248 1.00 28.89 N ATOM 799 N LYS A 115 17.055 0.555 -9.197 1.00 26.52 N ATOM 800 CA LYS A 115 16.740 1.967 -9.387 1.00 29.61 C ATOM 801 C LYS A 115 15.272 2.193 -9.741 1.00 29.79 C ATOM 802 O LYS A 115 14.741 3.282 -9.526 1.00 29.48 O ATOM 803 CB LYS A 115 17.636 2.587 -10.466 1.00 31.74 C ATOM 804 CG LYS A 115 19.091 2.742 -10.042 1.00 35.79 C ATOM 805 CD LYS A 115 19.900 3.494 -11.089 1.00 37.41 C ATOM 806 CE LYS A 115 21.377 3.533 -10.720 1.00 40.68 C ATOM 807 NZ LYS A 115 21.633 4.225 -9.423 1.00 44.59 N ATOM 808 N LYS A 116 14.614 1.169 -10.277 1.00 30.18 N ATOM 809 CA LYS A 116 13.202 1.291 -10.628 1.00 29.15 C ATOM 810 C LYS A 116 12.321 1.294 -9.382 1.00 28.18 C ATOM 811 O LYS A 116 11.131 1.600 -9.457 1.00 27.30 O ATOM 812 CB LYS A 116 12.773 0.158 -11.570 1.00 31.47 C ATOM 813 CG LYS A 116 13.028 0.445 -13.049 1.00 32.35 C ATOM 814 CD LYS A 116 12.215 1.653 -13.515 1.00 34.34 C ATOM 815 CE LYS A 116 12.377 1.917 -15.009 1.00 33.11 C ATOM 816 NZ LYS A 116 11.603 3.122 -15.446 1.00 30.94 N ATOM 817 N TYR A 117 12.908 0.958 -8.235 1.00 27.67 N ATOM 818 CA TYR A 117 12.163 0.940 -6.976 1.00 27.33 C ATOM 819 C TYR A 117 12.427 2.163 -6.103 1.00 26.42 C ATOM 820 O TYR A 117 11.747 2.378 -5.101 1.00 26.36 O ATOM 821 CB TYR A 117 12.503 -0.310 -6.162 1.00 27.82 C ATOM 822 CG TYR A 117 12.057 -1.612 -6.781 1.00 29.74 C ATOM 823 CD1 TYR A 117 10.968 -1.664 -7.659 1.00 30.84 C ATOM 824 CD2 TYR A 117 12.704 -2.804 -6.463 1.00 27.24 C ATOM 825 CE1 TYR A 117 10.543 -2.879 -8.204 1.00 29.97 C ATOM 826 CE2 TYR A 117 12.287 -4.011 -6.995 1.00 30.15 C ATOM 827 CZ TYR A 117 11.209 -4.043 -7.865 1.00 30.15 C ATOM 828 OH TYR A 117 10.813 -5.246 -8.391 1.00 33.33 O ATOM 829 N THR A 118 13.416 2.961 -6.480 1.00 25.38 N ATOM 830 CA THR A 118 13.776 4.145 -5.708 1.00 25.30 C ATOM 831 C THR A 118 12.586 5.035 -5.361 1.00 25.39 C ATOM 832 O THR A 118 12.464 5.507 -4.231 1.00 25.51 O ATOM 833 CB THR A 118 14.813 4.996 -6.463 1.00 25.01 C ATOM 834 OG1 THR A 118 15.927 4.172 -6.827 1.00 23.30 O ATOM 835 CG2 THR A 118 15.301 6.144 -5.582 1.00 25.75 C ATOM 836 N TYR A 119 11.705 5.248 -6.330 1.00 27.44 N ATOM 837 CA TYR A 119 10.536 6.104 -6.131 1.00 28.10 C ATOM 838 C TYR A 119 9.220 5.354 -6.296 1.00 28.40 C ATOM 839 O TYR A 119 8.252 5.908 -6.808 1.00 28.41 O ATOM 840 CB TYR A 119 10.577 7.262 -7.129 1.00 25.48 C ATOM 841 CG TYR A 119 11.831 8.104 -7.045 1.00 23.80 C ATOM 842 CD1 TYR A 119 11.975 9.086 -6.064 1.00 25.87 C ATOM 843 CD2 TYR A 119 12.866 7.932 -7.962 1.00 23.09 C ATOM 844 CE1 TYR A 119 13.120 9.881 -6.004 1.00 23.96 C ATOM 845 CE2 TYR A 119 14.011 8.719 -7.912 1.00 24.24 C ATOM 846 CZ TYR A 119 14.131 9.691 -6.935 1.00 24.70 C ATOM 847 OH TYR A 119 15.252 10.483 -6.907 1.00 25.49 O ATOM 848 N TYR A 120 9.183 4.102 -5.854 1.00 29.02 N ATOM 849 CA TYR A 120 7.976 3.288 -5.969 1.00 28.73 C ATOM 850 C TYR A 120 6.790 3.926 -5.243 1.00 28.12 C ATOM 851 O TYR A 120 6.868 4.213 -4.051 1.00 29.74 O ATOM 852 CB TYR A 120 8.230 1.902 -5.383 1.00 31.03 C ATOM 853 CG TYR A 120 7.178 0.881 -5.742 1.00 32.26 C ATOM 854 CD1 TYR A 120 7.159 0.290 -7.002 1.00 33.34 C ATOM 855 CD2 TYR A 120 6.210 0.494 -4.820 1.00 33.27 C ATOM 856 CE1 TYR A 120 6.207 -0.663 -7.333 1.00 33.98 C ATOM 857 CE2 TYR A 120 5.253 -0.459 -5.142 1.00 34.03 C ATOM 858 CZ TYR A 120 5.258 -1.032 -6.401 1.00 33.41 C ATOM 859 OH TYR A 120 4.313 -1.974 -6.732 1.00 36.19 O ATOM 860 N PRO A 121 5.673 4.153 -5.954 1.00 27.70 N ATOM 861 CA PRO A 121 4.485 4.759 -5.339 1.00 28.86 C ATOM 862 C PRO A 121 3.996 3.932 -4.153 1.00 29.36 C ATOM 863 O PRO A 121 3.839 2.713 -4.263 1.00 28.93 O ATOM 864 CB PRO A 121 3.472 4.780 -6.486 1.00 26.67 C ATOM 865 CG PRO A 121 4.339 4.923 -7.698 1.00 26.52 C ATOM 866 CD PRO A 121 5.469 3.959 -7.402 1.00 27.89 C ATOM 867 N ASN A 122 3.758 4.588 -3.021 1.00 30.67 N ATOM 868 CA ASN A 122 3.287 3.877 -1.838 1.00 28.65 C ATOM 869 C ASN A 122 1.873 3.330 -2.016 1.00 28.93 C ATOM 870 O ASN A 122 1.517 2.320 -1.411 1.00 27.50 O ATOM 871 CB ASN A 122 3.338 4.777 -0.596 1.00 29.06 C ATOM 872 CG ASN A 122 4.759 5.061 -0.131 1.00 29.32 C ATOM 873 OD1 ASN A 122 5.624 4.186 -0.167 1.00 28.13 O ATOM 874 ND2 ASN A 122 5.000 6.283 0.325 1.00 30.25 N ATOM 875 N PHE A 124 1.062 3.988 -2.839 1.00 31.66 N ATOM 876 CA PHE A 124 -0.303 3.514 -3.052 1.00 33.10 C ATOM 877 C PHE A 124 -0.346 2.314 -3.988 1.00 31.48 C ATOM 878 O PHE A 124 -1.415 1.810 -4.319 1.00 33.13 O ATOM 879 CB PHE A 124 -1.205 4.646 -3.561 1.00 36.28 C ATOM 880 CG PHE A 124 -0.629 5.422 -4.697 1.00 38.62 C ATOM 881 CD1 PHE A 124 -0.878 5.049 -6.010 1.00 41.32 C ATOM 882 CD2 PHE A 124 0.178 6.526 -4.453 1.00 40.37 C ATOM 883 CE1 PHE A 124 -0.333 5.770 -7.069 1.00 41.68 C ATOM 884 CE2 PHE A 124 0.727 7.252 -5.503 1.00 42.10 C ATOM 885 CZ PHE A 124 0.473 6.873 -6.813 1.00 41.65 C ATOM 886 N TRP A 125 0.831 1.856 -4.402 1.00 30.66 N ATOM 887 CA TRP A 125 0.948 0.682 -5.255 1.00 28.51 C ATOM 888 C TRP A 125 1.257 -0.518 -4.365 1.00 30.38 C ATOM 889 O TRP A 125 1.446 -1.640 -4.842 1.00 28.35 O ATOM 890 CB TRP A 125 2.067 0.869 -6.274 1.00 28.47 C ATOM 891 CG TRP A 125 1.640 1.608 -7.490 1.00 26.52 C ATOM 892 CD1 TRP A 125 0.445 2.243 -7.692 1.00 28.54 C ATOM 893 CD2 TRP A 125 2.401 1.795 -8.681 1.00 27.00 C ATOM 894 NE1 TRP A 125 0.417 2.810 -8.941 1.00 27.92 N ATOM 895 CE2 TRP A 125 1.607 2.550 -9.571 1.00 27.57 C ATOM 896 CE3 TRP A 125 3.680 1.390 -9.089 1.00 25.91 C ATOM 897 CZ2 TRP A 125 2.052 2.919 -10.846 1.00 26.72 C ATOM 898 CZ3 TRP A 125 4.124 1.753 -10.357 1.00 28.57 C ATOM 899 CH2 TRP A 125 3.308 2.508 -11.221 1.00 29.23 C ATOM 900 N CYS A 126 1.333 -0.261 -3.064 1.00 29.86 N ATOM 901 CA CYS A 126 1.589 -1.307 -2.083 1.00 30.98 C ATOM 902 C CYS A 126 0.231 -1.645 -1.503 1.00 32.86 C ATOM 903 O CYS A 126 -0.281 -0.926 -0.647 1.00 32.99 O ATOM 904 CB CYS A 126 2.520 -0.780 -0.997 1.00 29.72 C ATOM 905 SG CYS A 126 4.063 -0.177 -1.730 1.00 28.58 S ATOM 906 N LYS A 127 -0.352 -2.742 -1.972 1.00 35.97 N ATOM 907 CA LYS A 127 -1.679 -3.125 -1.527 1.00 38.08 C ATOM 908 C LYS A 127 -1.824 -4.529 -0.942 1.00 39.05 C ATOM 909 O LYS A 127 -2.917 -5.095 -0.935 1.00 40.05 O ATOM 910 CB LYS A 127 -2.647 -2.906 -2.694 1.00 41.20 C ATOM 911 CG LYS A 127 -2.769 -1.422 -3.055 1.00 43.76 C ATOM 912 CD LYS A 127 -3.514 -1.166 -4.352 1.00 47.21 C ATOM 913 CE LYS A 127 -2.611 -1.350 -5.560 1.00 49.03 C ATOM 914 NZ LYS A 127 -3.277 -0.902 -6.818 1.00 51.28 N ATOM 915 N GLY A 128 -0.723 -5.077 -0.435 1.00 39.18 N ATOM 916 CA GLY A 128 -0.758 -6.402 0.164 1.00 37.83 C ATOM 917 C GLY A 128 -1.164 -6.344 1.627 1.00 37.28 C ATOM 918 O GLY A 128 -1.892 -5.441 2.032 1.00 36.18 O ATOM 919 N ASP A 129 -0.698 -7.303 2.423 1.00 37.16 N ATOM 920 CA ASP A 129 -1.025 -7.341 3.850 1.00 36.13 C ATOM 921 C ASP A 129 -0.035 -6.491 4.640 1.00 35.94 C ATOM 922 O ASP A 129 0.934 -5.971 4.085 1.00 34.05 O ATOM 923 CB ASP A 129 -0.938 -8.770 4.400 1.00 36.18 C ATOM 924 CG ASP A 129 -1.552 -9.803 3.477 1.00 36.37 C ATOM 925 OD1 ASP A 129 -2.693 -9.598 3.018 1.00 37.39 O ATOM 926 OD2 ASP A 129 -0.885 -10.831 3.223 1.00 34.77 O ATOM 927 N ILE A 130 -0.290 -6.345 5.937 1.00 35.58 N ATOM 928 CA ILE A 130 0.629 -5.614 6.795 1.00 36.31 C ATOM 929 C ILE A 130 1.636 -6.686 7.181 1.00 35.20 C ATOM 930 O ILE A 130 1.255 -7.779 7.601 1.00 33.56 O ATOM 931 CB ILE A 130 -0.072 -5.042 8.060 1.00 38.90 C ATOM 932 CG1 ILE A 130 -0.872 -6.130 8.779 1.00 39.96 C ATOM 933 CG2 ILE A 130 -0.986 -3.896 7.670 1.00 40.97 C ATOM 934 CD1 ILE A 130 -0.102 -6.842 9.875 1.00 40.39 C ATOM 935 N GLU A 131 2.915 -6.388 6.997 1.00 34.36 N ATOM 936 CA GLU A 131 3.976 -7.336 7.305 1.00 35.42 C ATOM 937 C GLU A 131 4.206 -7.507 8.796 1.00 34.87 C ATOM 938 O GLU A 131 4.652 -8.559 9.234 1.00 35.41 O ATOM 939 CB GLU A 131 5.281 -6.888 6.646 1.00 36.92 C ATOM 940 CG GLU A 131 5.256 -6.932 5.136 1.00 38.93 C ATOM 941 CD GLU A 131 5.215 -8.345 4.604 1.00 38.68 C ATOM 942 OE1 GLU A 131 6.096 -9.144 4.988 1.00 37.66 O ATOM 943 OE2 GLU A 131 4.311 -8.655 3.802 1.00 39.53 O ATOM 944 N LYS A 132 3.903 -6.468 9.568 1.00 34.99 N ATOM 945 CA LYS A 132 4.090 -6.493 11.015 1.00 35.22 C ATOM 946 C LYS A 132 5.571 -6.453 11.369 1.00 35.09 C ATOM 947 O LYS A 132 6.006 -5.600 12.144 1.00 34.20 O ATOM 948 CB LYS A 132 3.440 -7.741 11.620 1.00 37.20 C ATOM 949 CG LYS A 132 3.659 -7.900 13.121 1.00 40.25 C ATOM 950 CD LYS A 132 2.950 -9.140 13.663 1.00 41.89 C ATOM 951 CE LYS A 132 3.153 -9.298 15.166 1.00 42.85 C ATOM 952 NZ LYS A 132 2.402 -10.473 15.699 1.00 40.83 N ATOM 953 N CYS A 133 6.338 -7.376 10.793 1.00 34.18 N ATOM 954 CA CYS A 133 7.777 -7.445 11.028 1.00 35.22 C ATOM 955 C CYS A 133 8.427 -8.512 10.134 1.00 35.76 C ATOM 956 O CYS A 133 9.674 -8.589 10.065 1.00 34.64 O ATOM 957 CB CYS A 133 8.050 -7.750 12.500 1.00 33.45 C ATOM 958 SG CYS A 133 9.718 -7.278 13.067 1.00 36.72 S ATOM 959 OXT CYS A 133 7.662 -9.271 9.506 1.00 36.95 O TER 960 CYS A 133 HETATM 961 O HOH A 134 7.661 4.170 -1.726 1.00 15.73 O HETATM 962 O HOH A 135 20.631 12.107 2.833 1.00 19.89 O HETATM 963 O HOH A 136 8.722 3.249 0.547 1.00 21.61 O HETATM 964 O HOH A 137 18.338 7.562 14.074 1.00 25.98 O HETATM 965 O HOH A 138 17.303 -5.101 -2.927 1.00 23.46 O HETATM 966 O HOH A 139 6.497 3.446 1.916 1.00 20.82 O HETATM 967 O HOH A 140 24.936 4.600 21.017 1.00 22.32 O HETATM 968 O HOH A 141 22.384 -3.712 15.939 1.00 22.02 O HETATM 969 O HOH A 142 13.562 9.364 -2.290 1.00 39.22 O HETATM 970 O HOH A 143 30.913 4.427 25.536 1.00 26.90 O HETATM 971 O HOH A 144 16.295 6.945 27.108 1.00 27.84 O HETATM 972 O HOH A 145 17.420 -1.338 19.824 1.00 20.36 O HETATM 973 O HOH A 146 8.559 6.474 19.078 1.00 34.22 O HETATM 974 O HOH A 147 3.480 -3.922 8.673 1.00 29.34 O HETATM 975 O HOH A 148 14.220 6.151 -2.171 1.00 32.04 O HETATM 976 O HOH A 149 11.012 10.144 15.640 1.00 29.88 O HETATM 977 O HOH A 150 24.208 -8.068 -2.032 1.00 37.58 O HETATM 978 O HOH A 151 19.206 -9.714 4.409 1.00 39.11 O HETATM 979 O HOH A 152 22.650 8.366 -2.941 1.00 42.37 O HETATM 980 O HOH A 153 8.302 1.075 6.866 1.00 29.46 O HETATM 981 O HOH A 154 20.458 4.713 -6.928 1.00 48.14 O HETATM 982 O HOH A 155 16.984 -3.309 9.323 1.00 25.57 O HETATM 983 O HOH A 156 15.579 -5.738 -6.600 1.00 25.84 O HETATM 984 O HOH A 157 29.080 -3.196 11.816 1.00 43.58 O HETATM 985 O HOH A 158 31.592 12.850 11.446 1.00 37.28 O HETATM 986 O HOH A 159 13.142 -7.976 7.108 1.00 32.88 O HETATM 987 O HOH A 160 20.732 -1.785 -0.565 1.00 25.17 O HETATM 988 O HOH A 161 25.515 -4.558 17.965 1.00 29.72 O HETATM 989 O HOH A 162 -4.825 -5.951 1.786 1.00 44.32 O HETATM 990 O HOH A 163 7.713 5.842 2.147 1.00 46.35 O HETATM 991 O HOH A 164 6.384 6.649 -2.767 1.00 36.73 O HETATM 992 O HOH A 165 31.024 7.800 14.091 1.00 40.86 O HETATM 993 O HOH A 166 1.738 4.785 6.650 1.00 40.87 O HETATM 994 O HOH A 167 10.778 9.416 6.234 1.00 45.11 O HETATM 995 O HOH A 168 16.764 -2.389 11.972 1.00 24.43 O HETATM 996 O HOH A 169 42.288 -4.117 16.782 1.00 32.35 O HETATM 997 O HOH A 170 16.747 -8.320 3.753 1.00 33.92 O HETATM 998 O HOH A 171 23.328 10.192 26.794 1.00 33.05 O HETATM 999 O HOH A 172 -1.361 1.484 0.057 1.00 46.71 O HETATM 1000 O HOH A 173 7.986 6.500 -0.780 1.00 34.73 O HETATM 1001 O HOH A 174 13.542 -4.081 -13.192 1.00 46.75 O HETATM 1002 O HOH A 175 25.880 4.314 -5.794 1.00 44.70 O HETATM 1003 O HOH A 176 29.915 -2.131 9.478 1.00 35.38 O HETATM 1004 O HOH A 177 18.791 -0.831 -11.238 1.00 32.92 O HETATM 1005 O HOH A 178 1.809 2.240 1.684 1.00 46.92 O HETATM 1006 O HOH A 179 19.066 9.760 7.217 1.00 34.36 O HETATM 1007 O HOH A 180 -1.580 1.754 5.936 1.00 47.79 O HETATM 1008 O HOH A 181 4.046 -5.016 -2.976 1.00 40.96 O HETATM 1009 O HOH A 182 11.858 5.190 8.206 1.00 34.30 O HETATM 1010 O HOH A 183 1.281 1.775 4.339 1.00 46.90 O HETATM 1011 O HOH A 184 20.774 7.512 -9.833 1.00 44.37 O HETATM 1012 O HOH A 185 17.742 9.849 -8.718 1.00 41.16 O HETATM 1013 O HOH A 186 1.468 -8.632 1.052 1.00 43.47 O HETATM 1014 O HOH A 187 27.795 -5.627 -0.217 1.00 44.38 O HETATM 1015 O HOH A 188 27.178 -1.805 18.853 1.00 40.09 O HETATM 1016 O HOH A 189 19.761 14.237 21.239 1.00 27.05 O HETATM 1017 O HOH A 190 6.429 7.918 -7.218 1.00 33.04 O HETATM 1018 O HOH A 191 11.920 4.662 -9.037 1.00 40.49 O HETATM 1019 O HOH A 192 29.710 -0.422 0.005 1.00 40.47 O HETATM 1020 O HOH A 193 23.000 -2.820 -7.242 1.00 42.71 O HETATM 1021 O HOH A 194 29.808 6.910 -3.162 1.00 49.22 O HETATM 1022 O HOH A 195 20.419 -8.858 -1.971 1.00 39.43 O HETATM 1023 O HOH A 196 25.711 12.932 16.934 1.00 36.86 O HETATM 1024 O HOH A 197 10.015 4.102 -13.439 1.00 43.24 O HETATM 1025 O HOH A 198 29.944 0.045 23.516 1.00 41.12 O HETATM 1026 O HOH A 199 8.910 -2.328 22.808 1.00 45.21 O HETATM 1027 O HOH A 200 29.048 9.924 14.650 1.00 45.25 O HETATM 1028 O HOH A 201 9.858 -7.108 -6.874 1.00 44.74 O HETATM 1029 O HOH A 202 28.860 9.991 17.164 1.00 41.07 O HETATM 1030 O HOH A 203 -0.098 -9.133 15.548 1.00 53.50 O HETATM 1031 O HOH A 204 6.016 2.117 18.862 1.00 43.24 O HETATM 1032 O HOH A 205 -5.166 -3.504 -0.857 1.00 44.31 O HETATM 1033 O HOH A 206 15.919 5.908 -9.359 1.00 51.38 O HETATM 1034 O HOH A 207 3.735 8.440 -6.046 1.00 32.86 O HETATM 1035 O HOH A 208 7.925 3.975 18.272 1.00 47.17 O HETATM 1036 O HOH A 209 2.022 -10.448 18.749 1.00 48.14 O HETATM 1037 O HOH A 210 34.360 8.547 20.607 1.00 48.89 O HETATM 1038 O HOH A 211 18.319 6.238 29.893 1.00 34.37 O HETATM 1039 O HOH A 212 19.421 -2.339 21.983 1.00 30.04 O HETATM 1040 O HOH A 213 17.553 15.069 20.804 1.00 35.26 O HETATM 1041 O HOH A 214 23.529 -5.537 13.739 1.00 32.82 O HETATM 1042 O HOH A 215 16.222 8.320 11.907 1.00 31.63 O HETATM 1043 O HOH A 216 13.195 5.488 28.043 1.00 41.40 O HETATM 1044 O HOH A 217 18.604 -3.402 -10.751 1.00 38.91 O HETATM 1045 O HOH A 218 20.845 8.388 -12.335 1.00 41.31 O HETATM 1046 O HOH A 219 3.990 3.896 2.661 1.00 42.59 O HETATM 1047 O HOH A 220 9.247 -9.799 -0.718 1.00 40.74 O HETATM 1048 O HOH A 221 28.054 -5.653 12.401 1.00 51.12 O HETATM 1049 O HOH A 222 23.178 1.074 -7.757 1.00 43.54 O HETATM 1050 O HOH A 223 11.115 6.203 -14.172 1.00 47.06 O HETATM 1051 O HOH A 224 3.773 0.361 2.710 1.00 34.60 O HETATM 1052 O HOH A 225 26.060 11.303 -2.035 1.00 51.20 O HETATM 1053 O HOH A 226 27.192 11.248 15.836 1.00 50.67 O HETATM 1054 O HOH A 227 26.601 -8.882 -2.663 1.00 35.93 O HETATM 1055 O HOH A 228 13.316 2.970 5.772 1.00 46.19 O HETATM 1056 O HOH A 229 10.045 12.242 14.228 1.00 41.54 O CONECT 196 905 CONECT 213 322 CONECT 316 719 CONECT 322 213 CONECT 357 958 CONECT 363 672 CONECT 419 614 CONECT 572 657 CONECT 614 419 CONECT 657 572 CONECT 672 363 CONECT 719 316 CONECT 905 196 CONECT 958 357 MASTER 242 0 0 7 2 0 0 6 1055 1 14 10 END