HEADER ELECTRON TRANSPORT (CUPROPROTEIN) 11-FEB-00 1DYZ TITLE OXIDISED AZURIN II FROM ALCALIGENES XYLOSOXIDANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: AZURIN II; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES XYLOSOXIDANS; SOURCE 3 STRAIN: XYLOSOXIDANS; SOURCE 4 CELLULAR_LOCATION: PERIPLASM; SOURCE 5 OTHER_DETAILS: NCIMB 11015 KEYWDS ELECTRON TRANSPORT, CUPREDOXIN, COPPER, PERIPLASMIC EXPDTA X-RAY DIFFRACTION AUTHOR F.E.DODD,Z.H.L.ABRAHAM,R.R.EADY,S.S.HASNAIN SPRSDE 10-JUL-00 1DYZ 1ARN REVDAT 2 21-JUL-00 1DYZ 1 ATOM REVDAT 1 10-JUL-00 1DYZ 0 JRNL AUTH F.E.DODD,Z.H.L.ABRAHAM,R.R.EADY,S.S.HASNAIN JRNL TITL STRUCTURES OF OXIDISED AND REDUCED AZURIN II JRNL TITL 2 FROM ALCALIGENES XYLOSOXIDANS AT 1.75 ANGSTOMS JRNL TITL 3 RESOLUTION JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 56 690 2000 JRNL REFN ASTM ABCRE6 DK ISSN 0907-4449 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.E.DODD,S.S.HASNAIN,Z.H.L.ABRAHAM,R.R.EADY, REMARK 1 AUTH 2 B.E.SMITH REMARK 1 TITL STRUCTURE OF A NEW AZURIN FROM ALCALIGENES REMARK 1 TITL 2 XYLOSOXIDANS AT HIGH RESOLUTION REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 51 1052 1995 REMARK 1 REFN ASTM ABCRE6 DK ISSN 0907-4449 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.5 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.1 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 82.2 REMARK 3 NUMBER OF REFLECTIONS : 10290 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) : 0.189 REMARK 3 FREE R VALUE : 0.205 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1060 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 : 957 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 67 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 15.8 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.2 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.5 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.1 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.1 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: DPI = 0.09 ANGSTOMS REMARK 4 REMARK 4 1DYZ COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI ON 11-FEB-2000. REMARK 100 THE EBI ID CODE IS EBI-4619. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-MAR-1995 REMARK 200 TEMPERATURE (KELVIN) : 286 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 3 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PHOTON FACTORY BEAMLINE BL6A-2 REMARK 200 BEAMLINE : BL6A-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 REMARK 200 MONOCHROMATOR : FOCUSSING SILICON CRYSTAL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : FUJI REMARK 200 INTENSITY-INTEGRATION SOFTWARE : WEIS REMARK 200 DATA SCALING SOFTWARE : CCP4 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12084 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.75 REMARK 200 RESOLUTION RANGE LOW (A) : 37.2 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NONE REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 82.4 REMARK 200 DATA REDUNDANCY : 2.8 REMARK 200 R MERGE (I) : 0.062 REMARK 200 R SYM (I) : NONE REMARK 200 FOR THE DATA SET : 6.5 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 53.6 REMARK 200 DATA REDUNDANCY IN SHELL : 1.6 REMARK 200 R MERGE FOR SHELL (I) : 0.214 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.1 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: 1ARN REMARK 200 REMARK 200 REMARK: DATA WERE COLLECTED USING THE WEISSENBERG METHOD REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.53 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M KH2 PO4 PH 6.0, REMARK 280 60% SATURATED AMMONIUM SULPHATE REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,1/2+Z REMARK 290 3555 -Y,X,1/4+Z REMARK 290 4555 Y,-X,3/4+Z REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,1/2-Z REMARK 290 7555 Y,X,3/4-Z REMARK 290 8555 -Y,-X,1/4-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 50.31500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 25.15750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 75.47250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 50.31500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 75.47250 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 25.15750 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 19 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR A 15 N - CA - C ANGL. DEV. = -9.5 DEGREES REMARK 500 HIS A 35 N - CA - C ANGL. DEV. = -9.7 DEGREES REMARK 500 LEU A 48 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 LYS A 52 N - CA - C ANGL. DEV. = -9.0 DEGREES REMARK 500 PHE A 114 N - CA - C ANGL. DEV. = -9.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CU1 REMARK 800 SITE_DESCRIPTION: TYPE 1 COPPER SITE REMARK 800 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DZ0 RELATED DB: PDB REMARK 900 REDUCED AZURIN II FROM ALCALIGENES XYLOSOXIDANS REMARK 900 DBREF 1DYZ A 1 129 SWS P56275 AZU2_ALCXX 1 129 SEQRES 1 A 129 ALA GLN CYS GLU ALA THR VAL GLU SER ASN ASP ALA MET SEQRES 2 A 129 GLN TYR ASN VAL LYS GLU ILE VAL VAL ASP LYS SER CYS SEQRES 3 A 129 LYS GLN PHE THR MET HIS LEU LYS HIS VAL GLY LYS MET SEQRES 4 A 129 ALA LYS VAL ALA MET GLY HIS ASN LEU VAL LEU THR LYS SEQRES 5 A 129 ASP ALA ASP LYS GLN ALA VAL ALA THR ASP GLY MET GLY SEQRES 6 A 129 ALA GLY LEU ALA GLN ASP TYR VAL LYS ALA GLY ASP THR SEQRES 7 A 129 ARG VAL ILE ALA HIS THR LYS VAL ILE GLY GLY GLY GLU SEQRES 8 A 129 SER ASP SER VAL THR PHE ASP VAL SER LYS ILE ALA ALA SEQRES 9 A 129 GLY GLU ASN TYR ALA TYR PHE CYS SER PHE PRO GLY HIS SEQRES 10 A 129 TRP ALA MET MET LYS GLY THR LEU LYS LEU GLY SER HET CU A 130 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU1 2+ FORMUL 3 HOH *67(H2 O1) HELIX 1 1 ASP A 55 GLY A 67 1 3/10 BONDS 63-66, 64-67 13 HELIX 2 2 SER A 100 ILE A 102 5 3 SHEET 1 A 4 GLN A 14 ASN A 16 0 SHEET 2 A 4 CYS A 3 ASN A 10 -1 O GLU A 8 N ASN A 16 SHEET 3 A 4 LYS A 27 VAL A 36 1 O THR A 30 N ALA A 5 SHEET 4 A 4 GLU A 91 ASP A 98 -1 O GLU A 91 N HIS A 35 SHEET 1 B 5 LYS A 18 VAL A 22 0 SHEET 2 B 5 MET A 121 GLY A 128 1 O THR A 124 N ILE A 20 SHEET 3 B 5 TYR A 108 CYS A 112 -1 O TYR A 108 N LEU A 125 SHEET 4 B 5 HIS A 46 THR A 51 -1 O VAL A 49 N PHE A 111 SHEET 5 B 5 ILE A 81 ILE A 87 -1 O ILE A 87 N HIS A 46 SSBOND 1 CYS A 3 CYS A 26 LINK CU CU A 130 O GLY A 45 LINK CU CU A 130 ND1 HIS A 46 LINK CU CU A 130 SG CYS A 112 LINK CU CU A 130 ND1 HIS A 117 LINK CU CU A 130 SD MET A 121 SITE 1 CU1 6 GLY A 45 HIS A 46 CYS A 112 HIS A 117 SITE 2 CU1 6 MET A 121 CU A 130 CRYST1 52.650 52.650 100.630 90.00 90.00 90.00 P 41 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018993 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018993 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009937 0.00000 ATOM 1 N ALA A 1 -1.193 25.689 17.184 1.00 41.90 N ATOM 2 CA ALA A 1 -1.482 27.134 16.896 1.00 41.27 C ATOM 3 C ALA A 1 -0.182 27.879 16.588 1.00 40.56 C ATOM 4 O ALA A 1 0.889 27.492 17.069 1.00 42.03 O ATOM 5 CB ALA A 1 -2.195 27.786 18.088 1.00 41.46 C ATOM 6 N GLN A 2 -0.289 28.942 15.794 1.00 38.88 N ATOM 7 CA GLN A 2 0.875 29.743 15.422 1.00 37.14 C ATOM 8 C GLN A 2 1.846 28.817 14.677 1.00 35.02 C ATOM 9 O GLN A 2 1.433 28.049 13.794 1.00 36.07 O ATOM 10 CB GLN A 2 1.527 30.329 16.686 1.00 39.27 C ATOM 11 CG GLN A 2 2.532 31.428 16.424 1.00 41.99 C ATOM 12 CD GLN A 2 3.714 31.360 17.372 1.00 43.42 C ATOM 13 OE1 GLN A 2 4.519 30.417 17.322 1.00 43.95 O ATOM 14 NE2 GLN A 2 3.827 32.353 18.244 1.00 44.16 N ATOM 15 N CYS A 3 3.120 28.876 15.045 1.00 31.59 N ATOM 16 CA CYS A 3 4.138 28.040 14.436 1.00 27.39 C ATOM 17 C CYS A 3 4.680 27.101 15.509 1.00 26.01 C ATOM 18 O CYS A 3 5.889 27.006 15.728 1.00 25.06 O ATOM 19 CB CYS A 3 5.249 28.924 13.883 1.00 26.74 C ATOM 20 SG CYS A 3 4.697 29.887 12.445 1.00 24.22 S ATOM 21 N GLU A 4 3.769 26.438 16.204 1.00 24.17 N ATOM 22 CA GLU A 4 4.164 25.532 17.252 1.00 23.41 C ATOM 23 C GLU A 4 3.082 24.514 17.474 1.00 20.98 C ATOM 24 O GLU A 4 1.919 24.735 17.147 1.00 20.95 O ATOM 25 CB GLU A 4 4.448 26.301 18.538 1.00 27.05 C ATOM 26 CG GLU A 4 3.245 27.035 19.099 1.00 33.58 C ATOM 27 CD GLU A 4 3.603 28.143 20.088 1.00 35.70 C ATOM 28 OE1 GLU A 4 4.794 28.311 20.429 1.00 36.10 O ATOM 29 OE2 GLU A 4 2.674 28.867 20.503 1.00 38.91 O ATOM 30 N ALA A 5 3.481 23.377 18.017 1.00 20.14 N ATOM 31 CA ALA A 5 2.555 22.301 18.303 1.00 18.53 C ATOM 32 C ALA A 5 2.970 21.665 19.614 1.00 17.70 C ATOM 33 O ALA A 5 4.116 21.801 20.055 1.00 17.45 O ATOM 34 CB ALA A 5 2.559 21.269 17.174 1.00 18.56 C ATOM 35 N THR A 6 2.018 21.024 20.266 1.00 18.15 N ATOM 36 CA THR A 6 2.264 20.356 21.533 1.00 18.61 C ATOM 37 C THR A 6 1.915 18.876 21.407 1.00 17.26 C ATOM 38 O THR A 6 0.873 18.515 20.864 1.00 17.82 O ATOM 39 CB THR A 6 1.430 21.010 22.668 1.00 18.29 C ATOM 40 OG1 THR A 6 1.890 22.355 22.881 1.00 19.76 O ATOM 41 CG2 THR A 6 1.567 20.216 23.979 1.00 19.73 C ATOM 42 N VAL A 7 2.812 18.022 21.861 1.00 16.53 N ATOM 43 CA VAL A 7 2.599 16.586 21.804 1.00 16.91 C ATOM 44 C VAL A 7 2.666 16.105 23.241 1.00 16.98 C ATOM 45 O VAL A 7 3.571 16.474 23.979 1.00 17.91 O ATOM 46 CB VAL A 7 3.729 15.871 21.004 1.00 16.41 C ATOM 47 CG1 VAL A 7 3.441 14.375 20.876 1.00 16.06 C ATOM 48 CG2 VAL A 7 3.888 16.495 19.633 1.00 17.68 C ATOM 49 N GLU A 8 1.678 15.339 23.661 1.00 17.53 N ATOM 50 CA GLU A 8 1.688 14.801 25.008 1.00 18.21 C ATOM 51 C GLU A 8 2.078 13.340 24.910 1.00 16.98 C ATOM 52 O GLU A 8 1.632 12.653 23.996 1.00 17.11 O ATOM 53 CB GLU A 8 0.310 14.911 25.645 1.00 22.88 C ATOM 54 CG GLU A 8 -0.119 16.325 25.953 1.00 24.87 C ATOM 55 CD GLU A 8 -1.515 16.374 26.516 1.00 27.84 C ATOM 56 OE1 GLU A 8 -2.199 15.322 26.506 1.00 28.17 O ATOM 57 OE2 GLU A 8 -1.929 17.470 26.959 1.00 31.15 O ATOM 58 N SER A 9 2.938 12.887 25.820 1.00 15.71 N ATOM 59 CA SER A 9 3.393 11.499 25.865 1.00 13.51 C ATOM 60 C SER A 9 2.933 10.920 27.193 1.00 13.54 C ATOM 61 O SER A 9 2.872 11.631 28.186 1.00 14.10 O ATOM 62 CB SER A 9 4.914 11.439 25.720 1.00 11.22 C ATOM 63 OG SER A 9 5.589 12.388 26.532 1.00 11.39 O ATOM 64 N ASN A 10 2.564 9.652 27.224 1.00 13.62 N ATOM 65 CA ASN A 10 2.088 9.077 28.489 1.00 14.95 C ATOM 66 C ASN A 10 2.810 7.801 28.965 1.00 14.56 C ATOM 67 O ASN A 10 3.853 7.422 28.425 1.00 15.07 O ATOM 68 CB ASN A 10 0.576 8.855 28.420 1.00 15.42 C ATOM 69 CG ASN A 10 0.188 7.780 27.412 1.00 16.53 C ATOM 70 OD1 ASN A 10 0.997 6.943 27.023 1.00 18.46 O ATOM 71 ND2 ASN A 10 -1.056 7.809 26.988 1.00 17.70 N ATOM 72 N ASP A 11 2.279 7.177 30.017 1.00 15.53 N ATOM 73 CA ASP A 11 2.846 5.956 30.585 1.00 16.83 C ATOM 74 C ASP A 11 2.559 4.675 29.813 1.00 17.57 C ATOM 75 O ASP A 11 2.921 3.588 30.271 1.00 19.00 O ATOM 76 CB ASP A 11 2.339 5.767 32.017 1.00 16.41 C ATOM 77 CG ASP A 11 2.922 6.742 32.989 1.00 16.78 C ATOM 78 OD1 ASP A 11 3.957 7.388 32.710 1.00 15.92 O ATOM 79 OD2 ASP A 11 2.336 6.851 34.074 1.00 18.36 O ATOM 80 N ALA A 12 1.850 4.800 28.695 1.00 19.47 N ATOM 81 CA ALA A 12 1.521 3.644 27.871 1.00 20.33 C ATOM 82 C ALA A 12 2.292 3.641 26.539 1.00 20.26 C ATOM 83 O ALA A 12 1.954 2.906 25.592 1.00 21.09 O ATOM 84 CB ALA A 12 -0.002 3.598 27.618 1.00 19.18 C ATOM 85 N MET A 13 3.309 4.494 26.451 1.00 19.65 N ATOM 86 CA MET A 13 4.159 4.602 25.283 1.00 19.96 C ATOM 87 C MET A 13 3.443 5.077 24.020 1.00 19.20 C ATOM 88 O MET A 13 3.535 4.474 22.953 1.00 19.64 O ATOM 89 CB MET A 13 4.852 3.268 24.992 1.00 21.50 C ATOM 90 CG MET A 13 6.337 3.372 25.143 1.00 23.34 C ATOM 91 SD MET A 13 7.090 1.826 24.739 1.00 32.54 S ATOM 92 CE MET A 13 7.421 1.182 26.392 1.00 31.62 C ATOM 93 N GLN A 14 2.761 6.192 24.140 1.00 19.14 N ATOM 94 CA GLN A 14 2.085 6.698 22.979 1.00 20.76 C ATOM 95 C GLN A 14 2.058 8.203 22.999 1.00 19.21 C ATOM 96 O GLN A 14 2.141 8.807 24.070 1.00 20.42 O ATOM 97 CB GLN A 14 0.676 6.135 22.896 1.00 23.93 C ATOM 98 CG GLN A 14 -0.151 6.288 24.162 1.00 31.10 C ATOM 99 CD GLN A 14 -1.456 5.493 24.110 1.00 34.74 C ATOM 100 OE1 GLN A 14 -2.034 5.296 23.046 1.00 37.81 O ATOM 101 NE2 GLN A 14 -1.917 5.028 25.263 1.00 38.33 N ATOM 102 N TYR A 15 2.101 8.776 21.803 1.00 18.40 N ATOM 103 CA TYR A 15 2.029 10.218 21.593 1.00 18.39 C ATOM 104 C TYR A 15 0.547 10.425 21.401 1.00 18.99 C ATOM 105 O TYR A 15 -0.161 9.496 20.996 1.00 19.96 O ATOM 106 CB TYR A 15 2.756 10.631 20.303 1.00 16.98 C ATOM 107 CG TYR A 15 4.270 10.742 20.397 1.00 15.66 C ATOM 108 CD1 TYR A 15 4.879 11.272 21.541 1.00 15.19 C ATOM 109 CD2 TYR A 15 5.090 10.347 19.338 1.00 13.46 C ATOM 110 CE1 TYR A 15 6.282 11.401 21.616 1.00 15.57 C ATOM 111 CE2 TYR A 15 6.478 10.475 19.405 1.00 12.41 C ATOM 112 CZ TYR A 15 7.064 11.006 20.545 1.00 11.96 C ATOM 113 OH TYR A 15 8.418 11.194 20.611 1.00 12.59 O ATOM 114 N ASN A 16 0.060 11.623 21.694 1.00 20.19 N ATOM 115 CA ASN A 16 -1.359 11.886 21.510 1.00 21.86 C ATOM 116 C ASN A 16 -1.625 12.433 20.115 1.00 22.78 C ATOM 117 O ASN A 16 -2.774 12.479 19.680 1.00 25.12 O ATOM 118 CB ASN A 16 -1.891 12.858 22.566 1.00 22.63 C ATOM 119 CG ASN A 16 -1.428 14.270 22.341 1.00 22.18 C ATOM 120 OD1 ASN A 16 -0.303 14.507 21.908 1.00 22.38 O ATOM 121 ND2 ASN A 16 -2.302 15.220 22.626 1.00 22.60 N ATOM 122 N VAL A 17 -0.567 12.851 19.427 1.00 22.67 N ATOM 123 CA VAL A 17 -0.685 13.395 18.078 1.00 22.75 C ATOM 124 C VAL A 17 0.129 12.516 17.136 1.00 23.56 C ATOM 125 O VAL A 17 1.250 12.124 17.461 1.00 25.11 O ATOM 126 CB VAL A 17 -0.129 14.838 18.011 1.00 22.56 C ATOM 127 CG1 VAL A 17 -0.556 15.507 16.727 1.00 22.86 C ATOM 128 CG2 VAL A 17 -0.596 15.652 19.206 1.00 21.92 C ATOM 129 N LYS A 18 -0.438 12.175 15.985 1.00 24.15 N ATOM 130 CA LYS A 18 0.270 11.350 15.009 1.00 24.58 C ATOM 131 C LYS A 18 0.753 12.118 13.774 1.00 22.73 C ATOM 132 O LYS A 18 1.605 11.631 13.029 1.00 20.94 O ATOM 133 CB LYS A 18 -0.572 10.147 14.591 1.00 28.65 C ATOM 134 CG LYS A 18 -0.520 8.982 15.572 1.00 33.97 C ATOM 135 CD LYS A 18 -1.361 9.253 16.802 1.00 38.83 C ATOM 136 CE LYS A 18 -2.841 9.390 16.449 1.00 42.69 C ATOM 137 NZ LYS A 18 -3.496 10.482 17.257 1.00 45.50 N ATOM 138 N GLU A 19 0.225 13.322 13.571 1.00 21.55 N ATOM 139 CA GLU A 19 0.611 14.155 12.437 1.00 20.98 C ATOM 140 C GLU A 19 0.766 15.620 12.838 1.00 19.88 C ATOM 141 O GLU A 19 -0.032 16.148 13.613 1.00 20.75 O ATOM 142 CB GLU A 19 -0.414 14.012 11.296 1.00 20.38 C ATOM 143 N ILE A 20 1.841 16.246 12.363 1.00 19.29 N ATOM 144 CA ILE A 20 2.138 17.654 12.625 1.00 18.14 C ATOM 145 C ILE A 20 2.366 18.315 11.277 1.00 19.22 C ATOM 146 O ILE A 20 3.159 17.831 10.472 1.00 19.92 O ATOM 147 CB ILE A 20 3.425 17.854 13.454 1.00 17.19 C ATOM 148 CG1 ILE A 20 3.220 17.341 14.878 1.00 17.13 C ATOM 149 CG2 ILE A 20 3.805 19.333 13.478 1.00 18.61 C ATOM 150 CD1 ILE A 20 4.430 17.488 15.753 1.00 14.74 C ATOM 151 N VAL A 21 1.645 19.398 11.021 1.00 19.54 N ATOM 152 CA VAL A 21 1.774 20.129 9.762 1.00 20.22 C ATOM 153 C VAL A 21 2.370 21.501 10.034 1.00 19.78 C ATOM 154 O VAL A 21 1.861 22.245 10.874 1.00 20.87 O ATOM 155 CB VAL A 21 0.407 20.302 9.045 1.00 19.68 C ATOM 156 CG1 VAL A 21 0.564 21.191 7.825 1.00 20.86 C ATOM 157 CG2 VAL A 21 -0.148 18.944 8.632 1.00 19.32 C ATOM 158 N VAL A 22 3.497 21.778 9.382 1.00 18.56 N ATOM 159 CA VAL A 22 4.195 23.048 9.520 1.00 16.98 C ATOM 160 C VAL A 22 3.715 24.005 8.430 1.00 17.25 C ATOM 161 O VAL A 22 3.836 23.721 7.234 1.00 17.20 O ATOM 162 CB VAL A 22 5.735 22.859 9.436 1.00 16.01 C ATOM 163 CG1 VAL A 22 6.435 24.201 9.538 1.00 14.32 C ATOM 164 CG2 VAL A 22 6.222 21.921 10.554 1.00 16.33 C ATOM 165 N ASP A 23 3.177 25.147 8.852 1.00 17.46 N ATOM 166 CA ASP A 23 2.667 26.153 7.927 1.00 18.06 C ATOM 167 C ASP A 23 3.804 26.840 7.180 1.00 17.18 C ATOM 168 O ASP A 23 4.796 27.253 7.766 1.00 16.20 O ATOM 169 CB ASP A 23 1.808 27.187 8.665 1.00 18.09 C ATOM 170 CG ASP A 23 0.932 27.991 7.728 1.00 16.91 C ATOM 171 OD1 ASP A 23 -0.161 27.523 7.352 1.00 19.69 O ATOM 172 OD2 ASP A 23 1.329 29.105 7.356 1.00 19.30 O ATOM 173 N LYS A 24 3.637 26.951 5.874 1.00 17.92 N ATOM 174 CA LYS A 24 4.628 27.578 5.016 1.00 19.90 C ATOM 175 C LYS A 24 4.926 29.022 5.408 1.00 20.15 C ATOM 176 O LYS A 24 5.907 29.606 4.948 1.00 19.83 O ATOM 177 CB LYS A 24 4.174 27.512 3.552 1.00 20.86 C ATOM 178 CG LYS A 24 4.212 26.118 2.933 1.00 22.82 C ATOM 179 CD LYS A 24 3.502 26.144 1.590 1.00 26.88 C ATOM 180 CE LYS A 24 3.406 24.776 0.919 1.00 28.85 C ATOM 181 NZ LYS A 24 4.664 24.324 0.259 1.00 32.07 N ATOM 182 N SER A 25 4.084 29.613 6.254 1.00 20.95 N ATOM 183 CA SER A 25 4.317 30.994 6.677 1.00 22.20 C ATOM 184 C SER A 25 5.356 31.089 7.796 1.00 21.96 C ATOM 185 O SER A 25 5.837 32.175 8.134 1.00 24.00 O ATOM 186 CB SER A 25 3.016 31.653 7.135 1.00 22.52 C ATOM 187 OG SER A 25 2.618 31.171 8.409 1.00 24.69 O ATOM 188 N CYS A 26 5.705 29.940 8.363 1.00 21.31 N ATOM 189 CA CYS A 26 6.659 29.872 9.456 1.00 20.68 C ATOM 190 C CYS A 26 8.103 29.831 9.004 1.00 20.14 C ATOM 191 O CYS A 26 8.441 29.155 8.045 1.00 21.29 O ATOM 192 CB CYS A 26 6.378 28.623 10.290 1.00 21.75 C ATOM 193 SG CYS A 26 4.689 28.516 10.955 1.00 22.36 S ATOM 194 N LYS A 27 8.955 30.592 9.671 1.00 19.96 N ATOM 195 CA LYS A 27 10.379 30.573 9.364 1.00 21.21 C ATOM 196 C LYS A 27 11.045 29.733 10.458 1.00 19.66 C ATOM 197 O LYS A 27 12.054 29.082 10.226 1.00 19.38 O ATOM 198 CB LYS A 27 10.959 31.991 9.345 1.00 23.60 C ATOM 199 CG LYS A 27 10.535 32.801 10.553 1.00 28.21 C ATOM 200 CD LYS A 27 10.950 34.264 10.471 1.00 31.80 C ATOM 201 CE LYS A 27 10.234 35.092 11.549 1.00 32.53 C ATOM 202 NZ LYS A 27 10.932 36.402 11.763 1.00 32.94 N ATOM 203 N GLN A 28 10.413 29.697 11.624 1.00 18.61 N ATOM 204 CA GLN A 28 10.890 28.955 12.777 1.00 19.51 C ATOM 205 C GLN A 28 9.699 28.120 13.250 1.00 17.58 C ATOM 206 O GLN A 28 8.560 28.485 12.992 1.00 17.54 O ATOM 207 CB GLN A 28 11.293 29.947 13.870 1.00 22.69 C ATOM 208 CG GLN A 28 12.562 29.611 14.620 1.00 28.54 C ATOM 209 CD GLN A 28 13.814 29.899 13.818 1.00 32.95 C ATOM 210 OE1 GLN A 28 13.770 30.601 12.807 1.00 36.78 O ATOM 211 NE2 GLN A 28 14.944 29.372 14.274 1.00 34.29 N ATOM 212 N PHE A 29 9.937 26.988 13.894 1.00 16.20 N ATOM 213 CA PHE A 29 8.832 26.173 14.381 1.00 16.99 C ATOM 214 C PHE A 29 9.231 25.607 15.726 1.00 17.21 C ATOM 215 O PHE A 29 10.398 25.284 15.949 1.00 17.41 O ATOM 216 CB PHE A 29 8.503 25.031 13.406 1.00 17.56 C ATOM 217 CG PHE A 29 7.170 24.364 13.666 1.00 16.78 C ATOM 218 CD1 PHE A 29 5.981 24.964 13.255 1.00 15.90 C ATOM 219 CD2 PHE A 29 7.105 23.143 14.332 1.00 17.83 C ATOM 220 CE1 PHE A 29 4.752 24.370 13.502 1.00 17.19 C ATOM 221 CE2 PHE A 29 5.869 22.530 14.587 1.00 17.24 C ATOM 222 CZ PHE A 29 4.687 23.148 14.171 1.00 17.32 C ATOM 223 N THR A 30 8.260 25.487 16.624 1.00 17.94 N ATOM 224 CA THR A 30 8.526 24.970 17.967 1.00 19.35 C ATOM 225 C THR A 30 7.675 23.770 18.328 1.00 18.30 C ATOM 226 O THR A 30 6.465 23.751 18.092 1.00 18.18 O ATOM 227 CB THR A 30 8.323 26.082 19.037 1.00 19.87 C ATOM 228 OG1 THR A 30 9.297 27.111 18.837 1.00 22.99 O ATOM 229 CG2 THR A 30 8.488 25.536 20.445 1.00 20.44 C ATOM 230 N MET A 31 8.329 22.757 18.884 1.00 18.61 N ATOM 231 CA MET A 31 7.658 21.551 19.322 1.00 17.98 C ATOM 232 C MET A 31 7.714 21.494 20.845 1.00 18.59 C ATOM 233 O MET A 31 8.777 21.674 21.451 1.00 18.61 O ATOM 234 CB MET A 31 8.307 20.332 18.701 1.00 18.11 C ATOM 235 CG MET A 31 8.215 20.359 17.192 1.00 20.43 C ATOM 236 SD MET A 31 8.977 18.949 16.425 1.00 26.18 S ATOM 237 CE MET A 31 7.581 17.998 16.057 1.00 24.00 C ATOM 238 N HIS A 32 6.549 21.348 21.459 1.00 19.04 N ATOM 239 CA HIS A 32 6.473 21.279 22.907 1.00 20.08 C ATOM 240 C HIS A 32 6.114 19.861 23.258 1.00 19.32 C ATOM 241 O HIS A 32 5.169 19.320 22.698 1.00 19.92 O ATOM 242 CB HIS A 32 5.378 22.207 23.462 1.00 22.67 C ATOM 243 CG HIS A 32 5.587 23.662 23.157 1.00 25.76 C ATOM 244 ND1 HIS A 32 4.790 24.350 22.255 1.00 27.53 N ATOM 245 CD2 HIS A 32 6.480 24.557 23.620 1.00 26.26 C ATOM 246 CE1 HIS A 32 5.204 25.610 22.184 1.00 26.88 C ATOM 247 NE2 HIS A 32 6.224 25.755 23.001 1.00 27.64 N ATOM 248 N LEU A 33 6.862 19.273 24.190 1.00 19.29 N ATOM 249 CA LEU A 33 6.617 17.906 24.651 1.00 18.16 C ATOM 250 C LEU A 33 6.215 17.894 26.130 1.00 17.80 C ATOM 251 O LEU A 33 6.901 18.474 26.969 1.00 19.85 O ATOM 252 CB LEU A 33 7.872 17.034 24.472 1.00 16.37 C ATOM 253 CG LEU A 33 7.691 15.583 24.930 1.00 14.29 C ATOM 254 CD1 LEU A 33 6.768 14.870 23.951 1.00 15.51 C ATOM 255 CD2 LEU A 33 9.008 14.864 25.019 1.00 13.92 C ATOM 256 N LYS A 34 5.103 17.240 26.440 1.00 17.70 N ATOM 257 CA LYS A 34 4.626 17.133 27.811 1.00 18.04 C ATOM 258 C LYS A 34 4.577 15.661 28.174 1.00 15.99 C ATOM 259 O LYS A 34 4.121 14.842 27.377 1.00 16.82 O ATOM 260 CB LYS A 34 3.196 17.700 27.971 1.00 19.57 C ATOM 261 CG LYS A 34 3.009 19.194 27.709 1.00 22.11 C ATOM 262 CD LYS A 34 1.574 19.633 28.044 1.00 25.89 C ATOM 263 CE LYS A 34 1.476 20.294 29.431 1.00 29.75 C ATOM 264 NZ LYS A 34 0.195 20.009 30.182 1.00 32.43 N ATOM 265 N HIS A 35 5.119 15.299 29.327 1.00 14.84 N ATOM 266 CA HIS A 35 5.027 13.917 29.755 1.00 14.21 C ATOM 267 C HIS A 35 3.900 13.991 30.787 1.00 14.79 C ATOM 268 O HIS A 35 4.097 14.504 31.891 1.00 15.19 O ATOM 269 CB HIS A 35 6.332 13.429 30.381 1.00 12.76 C ATOM 270 CG HIS A 35 6.387 11.950 30.593 1.00 13.14 C ATOM 271 ND1 HIS A 35 5.313 11.210 31.051 1.00 13.02 N ATOM 272 CD2 HIS A 35 7.408 11.063 30.469 1.00 12.65 C ATOM 273 CE1 HIS A 35 5.665 9.952 31.208 1.00 13.26 C ATOM 274 NE2 HIS A 35 6.941 9.839 30.859 1.00 13.30 N ATOM 275 N VAL A 36 2.706 13.551 30.406 1.00 15.57 N ATOM 276 CA VAL A 36 1.530 13.592 31.282 1.00 14.59 C ATOM 277 C VAL A 36 1.344 12.406 32.217 1.00 15.43 C ATOM 278 O VAL A 36 0.436 12.407 33.033 1.00 17.07 O ATOM 279 CB VAL A 36 0.217 13.796 30.475 1.00 14.72 C ATOM 280 CG1 VAL A 36 0.251 15.143 29.746 1.00 16.61 C ATOM 281 CG2 VAL A 36 -0.001 12.644 29.499 1.00 16.11 C ATOM 282 N GLY A 37 2.167 11.381 32.069 1.00 15.06 N ATOM 283 CA GLY A 37 2.074 10.227 32.939 1.00 15.13 C ATOM 284 C GLY A 37 2.715 10.495 34.285 1.00 15.49 C ATOM 285 O GLY A 37 3.042 11.633 34.588 1.00 16.02 O ATOM 286 N LYS A 38 2.949 9.433 35.052 1.00 15.71 N ATOM 287 CA LYS A 38 3.548 9.553 36.375 1.00 16.41 C ATOM 288 C LYS A 38 4.774 8.661 36.606 1.00 16.56 C ATOM 289 O LYS A 38 5.206 8.493 37.742 1.00 18.23 O ATOM 290 CB LYS A 38 2.496 9.277 37.453 1.00 18.80 C ATOM 291 CG LYS A 38 2.062 7.835 37.515 1.00 21.24 C ATOM 292 CD LYS A 38 0.589 7.695 37.827 1.00 25.95 C ATOM 293 CE LYS A 38 0.305 7.846 39.306 1.00 29.22 C ATOM 294 NZ LYS A 38 0.575 6.578 40.052 1.00 33.06 N ATOM 295 N MET A 39 5.297 8.047 35.551 1.00 15.93 N ATOM 296 CA MET A 39 6.483 7.207 35.687 1.00 14.38 C ATOM 297 C MET A 39 7.778 8.004 35.552 1.00 14.05 C ATOM 298 O MET A 39 7.801 9.054 34.906 1.00 12.30 O ATOM 299 CB MET A 39 6.439 6.054 34.699 1.00 17.04 C ATOM 300 CG MET A 39 5.560 4.909 35.172 1.00 21.37 C ATOM 301 SD MET A 39 5.952 3.381 34.298 1.00 26.78 S ATOM 302 CE MET A 39 4.382 3.003 33.563 1.00 27.07 C ATOM 303 N ALA A 40 8.825 7.528 36.229 1.00 14.43 N ATOM 304 CA ALA A 40 10.147 8.153 36.257 1.00 14.32 C ATOM 305 C ALA A 40 10.825 8.039 34.911 1.00 15.66 C ATOM 306 O ALA A 40 10.604 7.065 34.192 1.00 16.92 O ATOM 307 CB ALA A 40 11.012 7.489 37.311 1.00 13.51 C ATOM 308 N LYS A 41 11.708 8.975 34.596 1.00 16.48 N ATOM 309 CA LYS A 41 12.383 8.951 33.313 1.00 18.88 C ATOM 310 C LYS A 41 13.282 7.721 33.106 1.00 19.19 C ATOM 311 O LYS A 41 13.518 7.322 31.977 1.00 20.30 O ATOM 312 CB LYS A 41 13.137 10.255 33.058 1.00 20.23 C ATOM 313 CG LYS A 41 14.440 10.365 33.774 1.00 23.27 C ATOM 314 CD LYS A 41 15.283 11.431 33.135 1.00 26.27 C ATOM 315 CE LYS A 41 15.244 12.722 33.914 1.00 27.69 C ATOM 316 NZ LYS A 41 13.876 13.276 34.096 1.00 32.02 N ATOM 317 N VAL A 42 13.750 7.094 34.184 1.00 18.93 N ATOM 318 CA VAL A 42 14.588 5.904 34.036 1.00 18.97 C ATOM 319 C VAL A 42 13.778 4.672 33.640 1.00 17.79 C ATOM 320 O VAL A 42 14.343 3.655 33.244 1.00 17.39 O ATOM 321 CB VAL A 42 15.386 5.581 35.318 1.00 19.80 C ATOM 322 CG1 VAL A 42 16.302 6.743 35.670 1.00 22.11 C ATOM 323 CG2 VAL A 42 14.444 5.233 36.463 1.00 21.00 C ATOM 324 N ALA A 43 12.459 4.744 33.799 1.00 17.80 N ATOM 325 CA ALA A 43 11.592 3.620 33.442 1.00 16.80 C ATOM 326 C ALA A 43 10.707 3.928 32.231 1.00 15.78 C ATOM 327 O ALA A 43 10.470 3.069 31.391 1.00 15.39 O ATOM 328 CB ALA A 43 10.717 3.231 34.640 1.00 17.85 C ATOM 329 N MET A 44 10.267 5.177 32.117 1.00 15.85 N ATOM 330 CA MET A 44 9.369 5.580 31.039 1.00 15.52 C ATOM 331 C MET A 44 9.703 6.962 30.463 1.00 14.98 C ATOM 332 O MET A 44 8.817 7.741 30.130 1.00 16.24 O ATOM 333 CB MET A 44 7.928 5.549 31.579 1.00 15.18 C ATOM 334 CG MET A 44 6.803 5.734 30.561 1.00 16.28 C ATOM 335 SD MET A 44 6.688 4.421 29.329 1.00 19.18 S ATOM 336 CE MET A 44 6.280 2.996 30.440 1.00 13.54 C ATOM 337 N GLY A 45 10.986 7.248 30.286 1.00 14.07 N ATOM 338 CA GLY A 45 11.376 8.541 29.753 1.00 14.75 C ATOM 339 C GLY A 45 10.963 8.745 28.309 1.00 14.46 C ATOM 340 O GLY A 45 10.851 7.791 27.530 1.00 17.31 O ATOM 341 N HIS A 46 10.689 9.980 27.926 1.00 13.86 N ATOM 342 CA HIS A 46 10.290 10.250 26.553 1.00 14.08 C ATOM 343 C HIS A 46 10.979 11.495 26.045 1.00 14.62 C ATOM 344 O HIS A 46 11.307 12.395 26.821 1.00 15.49 O ATOM 345 CB HIS A 46 8.777 10.512 26.444 1.00 12.56 C ATOM 346 CG HIS A 46 7.911 9.359 26.843 1.00 11.95 C ATOM 347 ND1 HIS A 46 8.071 8.091 26.349 1.00 11.68 N ATOM 348 CD2 HIS A 46 6.821 9.311 27.662 1.00 11.08 C ATOM 349 CE1 HIS A 46 7.123 7.301 26.837 1.00 11.54 C ATOM 350 NE2 HIS A 46 6.358 8.023 27.633 1.00 9.23 N ATOM 351 N ASN A 47 11.263 11.512 24.746 1.00 13.09 N ATOM 352 CA ASN A 47 11.815 12.700 24.128 1.00 12.31 C ATOM 353 C ASN A 47 11.120 12.811 22.795 1.00 13.01 C ATOM 354 O ASN A 47 10.213 12.032 22.498 1.00 12.02 O ATOM 355 CB ASN A 47 13.352 12.680 24.015 1.00 11.96 C ATOM 356 CG ASN A 47 13.904 11.621 23.055 1.00 11.64 C ATOM 357 OD1 ASN A 47 15.112 11.483 22.948 1.00 13.60 O ATOM 358 ND2 ASN A 47 13.051 10.889 22.365 1.00 11.14 N ATOM 359 N LEU A 48 11.544 13.763 21.991 1.00 14.16 N ATOM 360 CA LEU A 48 10.973 13.957 20.685 1.00 13.28 C ATOM 361 C LEU A 48 12.198 14.249 19.839 1.00 12.47 C ATOM 362 O LEU A 48 13.014 15.092 20.214 1.00 11.32 O ATOM 363 CB LEU A 48 10.007 15.140 20.748 1.00 15.32 C ATOM 364 CG LEU A 48 9.007 15.384 19.620 1.00 17.23 C ATOM 365 CD1 LEU A 48 7.814 16.149 20.157 1.00 16.99 C ATOM 366 CD2 LEU A 48 9.699 16.147 18.489 1.00 20.28 C ATOM 367 N VAL A 49 12.402 13.422 18.811 1.00 11.75 N ATOM 368 CA VAL A 49 13.529 13.538 17.880 1.00 10.28 C ATOM 369 C VAL A 49 12.939 13.629 16.478 1.00 9.76 C ATOM 370 O VAL A 49 12.028 12.884 16.144 1.00 10.25 O ATOM 371 CB VAL A 49 14.460 12.294 17.973 1.00 9.63 C ATOM 372 CG1 VAL A 49 15.689 12.471 17.092 1.00 9.24 C ATOM 373 CG2 VAL A 49 14.869 12.037 19.426 1.00 10.43 C ATOM 374 N LEU A 50 13.447 14.553 15.670 1.00 10.72 N ATOM 375 CA LEU A 50 12.952 14.768 14.311 1.00 12.10 C ATOM 376 C LEU A 50 14.033 14.515 13.278 1.00 12.30 C ATOM 377 O LEU A 50 15.090 15.140 13.327 1.00 13.97 O ATOM 378 CB LEU A 50 12.455 16.204 14.167 1.00 12.26 C ATOM 379 CG LEU A 50 11.892 16.682 12.828 1.00 13.00 C ATOM 380 CD1 LEU A 50 10.560 16.000 12.541 1.00 14.01 C ATOM 381 CD2 LEU A 50 11.732 18.206 12.865 1.00 13.65 C ATOM 382 N THR A 51 13.759 13.611 12.339 1.00 12.80 N ATOM 383 CA THR A 51 14.698 13.249 11.280 1.00 13.06 C ATOM 384 C THR A 51 13.883 12.903 10.032 1.00 12.96 C ATOM 385 O THR A 51 12.659 12.897 10.075 1.00 12.92 O ATOM 386 CB THR A 51 15.475 11.951 11.658 1.00 13.58 C ATOM 387 OG1 THR A 51 14.580 10.835 11.623 1.00 15.36 O ATOM 388 CG2 THR A 51 16.063 12.039 13.062 1.00 13.04 C ATOM 389 N LYS A 52 14.546 12.627 8.917 1.00 15.68 N ATOM 390 CA LYS A 52 13.809 12.202 7.728 1.00 16.70 C ATOM 391 C LYS A 52 13.334 10.809 8.124 1.00 18.77 C ATOM 392 O LYS A 52 14.020 10.104 8.892 1.00 17.05 O ATOM 393 CB LYS A 52 14.717 12.005 6.514 1.00 17.19 C ATOM 394 CG LYS A 52 15.344 13.223 5.909 1.00 19.50 C ATOM 395 CD LYS A 52 16.389 12.759 4.897 1.00 23.14 C ATOM 396 CE LYS A 52 17.213 13.920 4.364 1.00 26.56 C ATOM 397 NZ LYS A 52 18.578 13.474 3.937 1.00 30.65 N ATOM 398 N ASP A 53 12.224 10.380 7.536 1.00 20.42 N ATOM 399 CA ASP A 53 11.649 9.066 7.810 1.00 23.08 C ATOM 400 C ASP A 53 12.698 7.967 7.611 1.00 24.45 C ATOM 401 O ASP A 53 12.819 7.041 8.431 1.00 26.43 O ATOM 402 CB ASP A 53 10.436 8.830 6.895 1.00 24.25 C ATOM 403 CG ASP A 53 9.551 7.693 7.382 1.00 28.44 C ATOM 404 OD1 ASP A 53 8.794 7.895 8.355 1.00 31.35 O ATOM 405 OD2 ASP A 53 9.610 6.601 6.782 1.00 29.73 O ATOM 406 N ALA A 54 13.491 8.095 6.550 1.00 23.70 N ATOM 407 CA ALA A 54 14.523 7.128 6.231 1.00 23.87 C ATOM 408 C ALA A 54 15.589 6.957 7.318 1.00 23.99 C ATOM 409 O ALA A 54 16.201 5.883 7.424 1.00 23.07 O ATOM 410 CB ALA A 54 15.189 7.502 4.918 1.00 25.69 C ATOM 411 N ASP A 55 15.832 8.010 8.097 1.00 22.70 N ATOM 412 CA ASP A 55 16.852 7.941 9.145 1.00 21.64 C ATOM 413 C ASP A 55 16.368 7.486 10.520 1.00 20.97 C ATOM 414 O ASP A 55 17.178 7.273 11.423 1.00 21.90 O ATOM 415 CB ASP A 55 17.567 9.288 9.264 1.00 21.54 C ATOM 416 CG ASP A 55 18.470 9.576 8.079 1.00 22.51 C ATOM 417 OD1 ASP A 55 18.880 8.625 7.386 1.00 23.50 O ATOM 418 OD2 ASP A 55 18.785 10.759 7.842 1.00 22.29 O ATOM 419 N LYS A 56 15.067 7.247 10.646 1.00 20.97 N ATOM 420 CA LYS A 56 14.453 6.843 11.909 1.00 21.27 C ATOM 421 C LYS A 56 15.198 5.795 12.743 1.00 21.22 C ATOM 422 O LYS A 56 15.756 6.109 13.799 1.00 20.80 O ATOM 423 CB LYS A 56 13.021 6.384 11.656 1.00 22.77 C ATOM 424 CG LYS A 56 12.207 6.178 12.913 1.00 26.21 C ATOM 425 CD LYS A 56 10.788 5.736 12.604 1.00 27.59 C ATOM 426 CE LYS A 56 10.737 4.267 12.229 1.00 29.50 C ATOM 427 NZ LYS A 56 9.428 3.890 11.619 1.00 30.95 N ATOM 428 N GLN A 57 15.238 4.557 12.258 1.00 20.88 N ATOM 429 CA GLN A 57 15.892 3.475 12.990 1.00 22.42 C ATOM 430 C GLN A 57 17.389 3.640 13.226 1.00 19.88 C ATOM 431 O GLN A 57 17.910 3.265 14.279 1.00 20.12 O ATOM 432 CB GLN A 57 15.612 2.131 12.315 1.00 24.76 C ATOM 433 CG GLN A 57 16.028 0.940 13.159 1.00 30.58 C ATOM 434 CD GLN A 57 15.659 -0.381 12.528 1.00 33.38 C ATOM 435 OE1 GLN A 57 14.981 -0.421 11.502 1.00 34.83 O ATOM 436 NE2 GLN A 57 16.096 -1.478 13.146 1.00 35.29 N ATOM 437 N ALA A 58 18.092 4.157 12.228 1.00 18.94 N ATOM 438 CA ALA A 58 19.520 4.377 12.336 1.00 17.40 C ATOM 439 C ALA A 58 19.777 5.334 13.493 1.00 17.15 C ATOM 440 O ALA A 58 20.625 5.067 14.339 1.00 16.09 O ATOM 441 CB ALA A 58 20.057 4.960 11.039 1.00 16.96 C ATOM 442 N VAL A 59 19.011 6.426 13.547 1.00 17.50 N ATOM 443 CA VAL A 59 19.162 7.426 14.602 1.00 16.11 C ATOM 444 C VAL A 59 18.734 6.900 15.960 1.00 15.64 C ATOM 445 O VAL A 59 19.364 7.215 16.960 1.00 15.14 O ATOM 446 CB VAL A 59 18.387 8.732 14.295 1.00 16.74 C ATOM 447 CG1 VAL A 59 18.447 9.676 15.501 1.00 15.63 C ATOM 448 CG2 VAL A 59 18.960 9.414 13.054 1.00 15.59 C ATOM 449 N ALA A 60 17.654 6.123 16.004 1.00 15.56 N ATOM 450 CA ALA A 60 17.178 5.552 17.264 1.00 15.78 C ATOM 451 C ALA A 60 18.188 4.550 17.820 1.00 16.18 C ATOM 452 O ALA A 60 18.432 4.513 19.024 1.00 16.00 O ATOM 453 CB ALA A 60 15.831 4.885 17.077 1.00 14.23 C ATOM 454 N THR A 61 18.786 3.763 16.928 1.00 18.22 N ATOM 455 CA THR A 61 19.774 2.748 17.285 1.00 19.34 C ATOM 456 C THR A 61 21.066 3.337 17.859 1.00 18.87 C ATOM 457 O THR A 61 21.592 2.843 18.856 1.00 17.95 O ATOM 458 CB THR A 61 20.078 1.884 16.069 1.00 21.16 C ATOM 459 OG1 THR A 61 18.903 1.126 15.729 1.00 24.77 O ATOM 460 CG2 THR A 61 21.232 0.946 16.347 1.00 23.27 C ATOM 461 N ASP A 62 21.580 4.383 17.216 1.00 19.34 N ATOM 462 CA ASP A 62 22.777 5.078 17.678 1.00 19.45 C ATOM 463 C ASP A 62 22.452 5.845 18.956 1.00 18.70 C ATOM 464 O ASP A 62 23.286 5.943 19.857 1.00 19.64 O ATOM 465 CB ASP A 62 23.264 6.063 16.617 1.00 22.69 C ATOM 466 CG ASP A 62 23.843 5.374 15.391 1.00 26.42 C ATOM 467 OD1 ASP A 62 23.577 4.169 15.161 1.00 29.54 O ATOM 468 OD2 ASP A 62 24.572 6.059 14.646 1.00 28.60 O ATOM 469 N GLY A 63 21.238 6.392 19.015 1.00 17.39 N ATOM 470 CA GLY A 63 20.785 7.129 20.183 1.00 17.23 C ATOM 471 C GLY A 63 20.734 6.276 21.442 1.00 19.03 C ATOM 472 O GLY A 63 21.125 6.733 22.516 1.00 18.79 O ATOM 473 N MET A 64 20.267 5.038 21.328 1.00 18.76 N ATOM 474 CA MET A 64 20.214 4.165 22.485 1.00 21.06 C ATOM 475 C MET A 64 21.617 4.020 23.106 1.00 21.75 C ATOM 476 O MET A 64 21.768 4.014 24.327 1.00 22.71 O ATOM 477 CB MET A 64 19.655 2.795 22.096 1.00 22.85 C ATOM 478 CG MET A 64 19.669 1.790 23.236 1.00 25.46 C ATOM 479 SD MET A 64 18.842 0.218 22.893 1.00 29.33 S ATOM 480 CE MET A 64 19.243 -0.044 21.123 1.00 28.48 C ATOM 481 N GLY A 65 22.641 3.970 22.264 1.00 22.06 N ATOM 482 CA GLY A 65 24.009 3.828 22.749 1.00 20.70 C ATOM 483 C GLY A 65 24.649 5.105 23.264 1.00 20.10 C ATOM 484 O GLY A 65 25.801 5.096 23.686 1.00 21.06 O ATOM 485 N ALA A 66 23.925 6.216 23.195 1.00 19.43 N ATOM 486 CA ALA A 66 24.425 7.502 23.673 1.00 17.58 C ATOM 487 C ALA A 66 24.258 7.596 25.199 1.00 17.10 C ATOM 488 O ALA A 66 25.062 8.224 25.881 1.00 17.73 O ATOM 489 CB ALA A 66 23.678 8.649 22.989 1.00 15.53 C ATOM 490 N GLY A 67 23.206 6.971 25.723 1.00 16.06 N ATOM 491 CA GLY A 67 22.957 6.997 27.150 1.00 14.06 C ATOM 492 C GLY A 67 21.912 8.019 27.529 1.00 13.81 C ATOM 493 O GLY A 67 21.580 8.899 26.736 1.00 14.10 O ATOM 494 N LEU A 68 21.410 7.911 28.758 1.00 14.06 N ATOM 495 CA LEU A 68 20.384 8.807 29.289 1.00 13.99 C ATOM 496 C LEU A 68 20.906 10.229 29.433 1.00 14.94 C ATOM 497 O LEU A 68 20.195 11.191 29.126 1.00 16.42 O ATOM 498 CB LEU A 68 19.939 8.324 30.673 1.00 13.69 C ATOM 499 CG LEU A 68 18.497 8.456 31.174 1.00 14.66 C ATOM 500 CD1 LEU A 68 18.493 8.412 32.698 1.00 15.63 C ATOM 501 CD2 LEU A 68 17.836 9.728 30.718 1.00 15.13 C ATOM 502 N ALA A 69 22.134 10.364 29.932 1.00 15.39 N ATOM 503 CA ALA A 69 22.748 11.678 30.139 1.00 15.07 C ATOM 504 C ALA A 69 22.847 12.452 28.841 1.00 16.45 C ATOM 505 O ALA A 69 22.958 13.671 28.851 1.00 18.21 O ATOM 506 CB ALA A 69 24.115 11.532 30.766 1.00 12.11 C ATOM 507 N GLN A 70 22.836 11.726 27.722 1.00 17.89 N ATOM 508 CA GLN A 70 22.888 12.336 26.395 1.00 18.85 C ATOM 509 C GLN A 70 21.499 12.413 25.770 1.00 18.94 C ATOM 510 O GLN A 70 21.364 12.669 24.574 1.00 20.39 O ATOM 511 CB GLN A 70 23.812 11.543 25.475 1.00 20.25 C ATOM 512 CG GLN A 70 25.279 11.816 25.699 1.00 23.24 C ATOM 513 CD GLN A 70 25.625 13.286 25.552 1.00 23.85 C ATOM 514 OE1 GLN A 70 25.292 13.918 24.551 1.00 25.99 O ATOM 515 NE2 GLN A 70 26.310 13.833 26.546 1.00 23.30 N ATOM 516 N ASP A 71 20.471 12.165 26.570 1.00 18.59 N ATOM 517 CA ASP A 71 19.088 12.186 26.097 1.00 17.68 C ATOM 518 C ASP A 71 18.845 11.170 24.977 1.00 16.41 C ATOM 519 O ASP A 71 17.977 11.370 24.127 1.00 15.85 O ATOM 520 CB ASP A 71 18.708 13.586 25.613 1.00 18.05 C ATOM 521 CG ASP A 71 18.846 14.631 26.692 1.00 18.77 C ATOM 522 OD1 ASP A 71 18.253 14.456 27.782 1.00 18.55 O ATOM 523 OD2 ASP A 71 19.549 15.631 26.439 1.00 19.43 O ATOM 524 N TYR A 72 19.622 10.089 24.979 1.00 15.25 N ATOM 525 CA TYR A 72 19.513 9.030 23.980 1.00 14.58 C ATOM 526 C TYR A 72 19.585 9.507 22.520 1.00 14.75 C ATOM 527 O TYR A 72 18.933 8.958 21.625 1.00 14.30 O ATOM 528 CB TYR A 72 18.283 8.159 24.241 1.00 12.80 C ATOM 529 CG TYR A 72 18.453 7.259 25.442 1.00 12.26 C ATOM 530 CD1 TYR A 72 19.336 6.169 25.398 1.00 13.21 C ATOM 531 CD2 TYR A 72 17.755 7.495 26.623 1.00 9.87 C ATOM 532 CE1 TYR A 72 19.521 5.330 26.513 1.00 13.27 C ATOM 533 CE2 TYR A 72 17.925 6.670 27.742 1.00 12.98 C ATOM 534 CZ TYR A 72 18.809 5.589 27.676 1.00 13.28 C ATOM 535 OH TYR A 72 18.990 4.766 28.752 1.00 13.62 O ATOM 536 N VAL A 73 20.379 10.547 22.298 1.00 15.01 N ATOM 537 CA VAL A 73 20.607 11.088 20.966 1.00 15.94 C ATOM 538 C VAL A 73 22.115 11.232 20.870 1.00 17.64 C ATOM 539 O VAL A 73 22.736 11.861 21.726 1.00 18.89 O ATOM 540 CB VAL A 73 19.964 12.487 20.745 1.00 13.90 C ATOM 541 CG1 VAL A 73 20.380 13.023 19.379 1.00 15.17 C ATOM 542 CG2 VAL A 73 18.453 12.416 20.826 1.00 14.04 C ATOM 543 N LYS A 74 22.712 10.583 19.879 1.00 20.42 N ATOM 544 CA LYS A 74 24.146 10.653 19.670 1.00 21.26 C ATOM 545 C LYS A 74 24.519 12.121 19.483 1.00 21.72 C ATOM 546 O LYS A 74 23.937 12.819 18.652 1.00 22.19 O ATOM 547 CB LYS A 74 24.551 9.818 18.448 1.00 22.53 C ATOM 548 CG LYS A 74 26.052 9.725 18.220 1.00 24.82 C ATOM 549 CD LYS A 74 26.452 8.460 17.469 1.00 27.10 C ATOM 550 CE LYS A 74 26.962 8.762 16.065 1.00 29.94 C ATOM 551 NZ LYS A 74 25.911 9.400 15.219 1.00 32.26 N ATOM 552 N ALA A 75 25.438 12.590 20.325 1.00 22.91 N ATOM 553 CA ALA A 75 25.916 13.964 20.298 1.00 23.27 C ATOM 554 C ALA A 75 26.341 14.368 18.896 1.00 24.98 C ATOM 555 O ALA A 75 27.118 13.667 18.235 1.00 24.95 O ATOM 556 CB ALA A 75 27.073 14.126 21.262 1.00 22.20 C ATOM 557 N GLY A 76 25.798 15.492 18.441 1.00 27.14 N ATOM 558 CA GLY A 76 26.119 16.006 17.123 1.00 28.25 C ATOM 559 C GLY A 76 25.701 15.109 15.972 1.00 29.02 C ATOM 560 O GLY A 76 26.389 15.041 14.951 1.00 30.54 O ATOM 561 N ASP A 77 24.581 14.413 16.128 1.00 28.03 N ATOM 562 CA ASP A 77 24.114 13.551 15.056 1.00 27.47 C ATOM 563 C ASP A 77 23.626 14.484 13.924 1.00 27.62 C ATOM 564 O ASP A 77 22.741 15.301 14.146 1.00 28.25 O ATOM 565 CB ASP A 77 22.988 12.644 15.574 1.00 25.73 C ATOM 566 CG ASP A 77 22.679 11.496 14.641 1.00 25.04 C ATOM 567 OD1 ASP A 77 22.745 11.690 13.413 1.00 26.84 O ATOM 568 OD2 ASP A 77 22.363 10.394 15.128 1.00 24.15 O ATOM 569 N THR A 78 24.232 14.382 12.739 1.00 27.47 N ATOM 570 CA THR A 78 23.867 15.218 11.580 1.00 26.71 C ATOM 571 C THR A 78 22.532 14.851 10.934 1.00 25.31 C ATOM 572 O THR A 78 22.045 15.562 10.053 1.00 24.76 O ATOM 573 CB THR A 78 24.948 15.172 10.480 1.00 28.33 C ATOM 574 OG1 THR A 78 25.236 13.807 10.141 1.00 29.61 O ATOM 575 CG2 THR A 78 26.211 15.842 10.959 1.00 29.22 C ATOM 576 N ARG A 79 21.986 13.707 11.330 1.00 23.39 N ATOM 577 CA ARG A 79 20.697 13.252 10.820 1.00 22.13 C ATOM 578 C ARG A 79 19.506 13.737 11.674 1.00 20.40 C ATOM 579 O ARG A 79 18.357 13.557 11.274 1.00 20.67 O ATOM 580 CB ARG A 79 20.673 11.732 10.740 1.00 23.00 C ATOM 581 CG ARG A 79 21.798 11.131 9.956 1.00 20.80 C ATOM 582 CD ARG A 79 21.908 9.673 10.321 1.00 21.83 C ATOM 583 NE ARG A 79 22.426 9.501 11.681 1.00 23.18 N ATOM 584 CZ ARG A 79 22.650 8.322 12.261 1.00 23.35 C ATOM 585 NH1 ARG A 79 22.386 7.196 11.617 1.00 25.64 N ATOM 586 NH2 ARG A 79 23.187 8.267 13.469 1.00 22.92 N ATOM 587 N VAL A 80 19.770 14.311 12.854 1.00 19.48 N ATOM 588 CA VAL A 80 18.695 14.797 13.721 1.00 17.72 C ATOM 589 C VAL A 80 18.509 16.290 13.528 1.00 17.17 C ATOM 590 O VAL A 80 19.420 17.070 13.753 1.00 16.41 O ATOM 591 CB VAL A 80 18.933 14.461 15.223 1.00 17.76 C ATOM 592 CG1 VAL A 80 19.320 13.011 15.374 1.00 15.51 C ATOM 593 CG2 VAL A 80 19.985 15.333 15.824 1.00 20.31 C ATOM 594 N ILE A 81 17.334 16.661 13.049 1.00 17.74 N ATOM 595 CA ILE A 81 17.002 18.054 12.777 1.00 16.59 C ATOM 596 C ILE A 81 16.738 18.794 14.086 1.00 17.99 C ATOM 597 O ILE A 81 17.216 19.918 14.291 1.00 18.34 O ATOM 598 CB ILE A 81 15.786 18.124 11.799 1.00 17.23 C ATOM 599 CG1 ILE A 81 16.141 17.373 10.505 1.00 17.92 C ATOM 600 CG2 ILE A 81 15.389 19.573 11.483 1.00 14.34 C ATOM 601 CD1 ILE A 81 15.007 17.257 9.512 1.00 18.56 C ATOM 602 N ALA A 82 16.066 18.130 15.009 1.00 16.45 N ATOM 603 CA ALA A 82 15.740 18.735 16.290 1.00 17.18 C ATOM 604 C ALA A 82 15.396 17.648 17.285 1.00 16.44 C ATOM 605 O ALA A 82 14.954 16.562 16.906 1.00 17.07 O ATOM 606 CB ALA A 82 14.535 19.677 16.138 1.00 16.90 C ATOM 607 N HIS A 83 15.631 17.914 18.559 1.00 16.36 N ATOM 608 CA HIS A 83 15.262 16.938 19.568 1.00 17.44 C ATOM 609 C HIS A 83 15.192 17.586 20.936 1.00 17.39 C ATOM 610 O HIS A 83 15.881 18.579 21.195 1.00 18.04 O ATOM 611 CB HIS A 83 16.235 15.753 19.575 1.00 16.71 C ATOM 612 CG HIS A 83 17.504 16.007 20.323 1.00 17.27 C ATOM 613 ND1 HIS A 83 17.598 15.831 21.694 1.00 18.77 N ATOM 614 CD2 HIS A 83 18.723 16.416 19.911 1.00 18.56 C ATOM 615 CE1 HIS A 83 18.831 16.128 22.084 1.00 19.29 C ATOM 616 NE2 HIS A 83 19.531 16.485 21.024 1.00 19.23 N ATOM 617 N THR A 84 14.301 17.080 21.777 1.00 16.73 N ATOM 618 CA THR A 84 14.163 17.577 23.132 1.00 16.51 C ATOM 619 C THR A 84 15.032 16.690 24.011 1.00 16.63 C ATOM 620 O THR A 84 15.665 15.749 23.543 1.00 16.25 O ATOM 621 CB THR A 84 12.714 17.441 23.647 1.00 16.81 C ATOM 622 OG1 THR A 84 12.367 16.052 23.713 1.00 15.69 O ATOM 623 CG2 THR A 84 11.731 18.162 22.728 1.00 16.92 C ATOM 624 N LYS A 85 15.070 16.994 25.294 1.00 17.75 N ATOM 625 CA LYS A 85 15.823 16.162 26.214 1.00 18.46 C ATOM 626 C LYS A 85 14.825 15.071 26.632 1.00 17.37 C ATOM 627 O LYS A 85 13.653 15.132 26.245 1.00 16.18 O ATOM 628 CB LYS A 85 16.270 16.989 27.428 1.00 21.98 C ATOM 629 CG LYS A 85 15.151 17.409 28.364 1.00 26.07 C ATOM 630 CD LYS A 85 15.224 18.886 28.685 1.00 29.61 C ATOM 631 CE LYS A 85 16.512 19.262 29.375 1.00 32.97 C ATOM 632 NZ LYS A 85 16.666 20.755 29.419 1.00 35.42 N ATOM 633 N VAL A 86 15.293 14.058 27.355 1.00 16.59 N ATOM 634 CA VAL A 86 14.416 12.982 27.848 1.00 15.01 C ATOM 635 C VAL A 86 13.756 13.481 29.159 1.00 14.15 C ATOM 636 O VAL A 86 14.438 13.957 30.069 1.00 13.92 O ATOM 637 CB VAL A 86 15.216 11.650 28.070 1.00 14.36 C ATOM 638 CG1 VAL A 86 14.364 10.619 28.772 1.00 13.31 C ATOM 639 CG2 VAL A 86 15.692 11.091 26.732 1.00 13.68 C ATOM 640 N ILE A 87 12.430 13.443 29.208 1.00 13.98 N ATOM 641 CA ILE A 87 11.684 13.896 30.380 1.00 13.46 C ATOM 642 C ILE A 87 10.895 12.771 31.059 1.00 13.48 C ATOM 643 O ILE A 87 10.512 11.782 30.430 1.00 13.73 O ATOM 644 CB ILE A 87 10.699 15.072 30.029 1.00 12.96 C ATOM 645 CG1 ILE A 87 9.761 14.669 28.878 1.00 12.83 C ATOM 646 CG2 ILE A 87 11.481 16.353 29.699 1.00 12.18 C ATOM 647 CD1 ILE A 87 8.727 15.714 28.520 1.00 12.23 C ATOM 648 N GLY A 88 10.650 12.939 32.355 1.00 13.61 N ATOM 649 CA GLY A 88 9.890 11.961 33.099 1.00 12.53 C ATOM 650 C GLY A 88 8.529 12.565 33.333 1.00 14.64 C ATOM 651 O GLY A 88 8.265 13.669 32.859 1.00 15.95 O ATOM 652 N GLY A 89 7.645 11.841 34.013 1.00 15.83 N ATOM 653 CA GLY A 89 6.305 12.346 34.280 1.00 17.88 C ATOM 654 C GLY A 89 6.271 13.668 35.039 1.00 18.67 C ATOM 655 O GLY A 89 7.162 13.963 35.834 1.00 20.18 O ATOM 656 N GLY A 90 5.266 14.483 34.746 1.00 19.78 N ATOM 657 CA GLY A 90 5.127 15.763 35.409 1.00 20.60 C ATOM 658 C GLY A 90 5.989 16.859 34.823 1.00 22.38 C ATOM 659 O GLY A 90 5.868 18.006 35.251 1.00 24.73 O ATOM 660 N GLU A 91 6.794 16.540 33.808 1.00 22.32 N ATOM 661 CA GLU A 91 7.706 17.497 33.165 1.00 21.11 C ATOM 662 C GLU A 91 7.377 17.821 31.698 1.00 19.75 C ATOM 663 O GLU A 91 6.423 17.288 31.121 1.00 20.69 O ATOM 664 CB GLU A 91 9.141 16.977 33.238 1.00 21.94 C ATOM 665 CG GLU A 91 9.626 16.656 34.638 1.00 24.48 C ATOM 666 CD GLU A 91 11.015 16.031 34.673 1.00 25.47 C ATOM 667 OE1 GLU A 91 11.607 15.767 33.613 1.00 26.68 O ATOM 668 OE2 GLU A 91 11.523 15.800 35.782 1.00 29.90 O ATOM 669 N SER A 92 8.192 18.688 31.104 1.00 18.22 N ATOM 670 CA SER A 92 8.001 19.088 29.712 1.00 18.24 C ATOM 671 C SER A 92 9.248 19.759 29.155 1.00 18.13 C ATOM 672 O SER A 92 10.127 20.173 29.908 1.00 18.66 O ATOM 673 CB SER A 92 6.811 20.043 29.590 1.00 18.61 C ATOM 674 OG SER A 92 7.084 21.278 30.231 1.00 19.25 O ATOM 675 N ASP A 93 9.306 19.883 27.836 1.00 18.54 N ATOM 676 CA ASP A 93 10.446 20.499 27.176 1.00 18.66 C ATOM 677 C ASP A 93 10.014 21.009 25.802 1.00 18.17 C ATOM 678 O ASP A 93 8.984 20.608 25.287 1.00 17.81 O ATOM 679 CB ASP A 93 11.605 19.492 27.057 1.00 18.65 C ATOM 680 CG ASP A 93 12.924 20.155 26.709 1.00 18.11 C ATOM 681 OD1 ASP A 93 13.152 21.299 27.134 1.00 20.17 O ATOM 682 OD2 ASP A 93 13.747 19.544 26.006 1.00 19.58 O ATOM 683 N SER A 94 10.803 21.899 25.215 1.00 19.02 N ATOM 684 CA SER A 94 10.484 22.472 23.917 1.00 20.01 C ATOM 685 C SER A 94 11.717 22.540 23.044 1.00 19.14 C ATOM 686 O SER A 94 12.830 22.644 23.545 1.00 19.85 O ATOM 687 CB SER A 94 9.975 23.903 24.099 1.00 21.67 C ATOM 688 OG SER A 94 8.793 23.956 24.872 1.00 26.41 O ATOM 689 N VAL A 95 11.524 22.471 21.737 1.00 19.05 N ATOM 690 CA VAL A 95 12.633 22.597 20.800 1.00 17.71 C ATOM 691 C VAL A 95 12.151 23.418 19.605 1.00 17.97 C ATOM 692 O VAL A 95 11.025 23.257 19.132 1.00 17.16 O ATOM 693 CB VAL A 95 13.225 21.237 20.353 1.00 16.44 C ATOM 694 CG1 VAL A 95 12.269 20.470 19.470 1.00 17.61 C ATOM 695 CG2 VAL A 95 14.529 21.460 19.656 1.00 16.83 C ATOM 696 N THR A 96 12.973 24.374 19.206 1.00 19.81 N ATOM 697 CA THR A 96 12.667 25.257 18.097 1.00 20.27 C ATOM 698 C THR A 96 13.655 24.987 16.977 1.00 21.31 C ATOM 699 O THR A 96 14.856 24.863 17.232 1.00 22.07 O ATOM 700 CB THR A 96 12.830 26.714 18.530 1.00 20.55 C ATOM 701 OG1 THR A 96 12.007 26.968 19.669 1.00 20.62 O ATOM 702 CG2 THR A 96 12.418 27.654 17.407 1.00 21.83 C ATOM 703 N PHE A 97 13.158 24.857 15.751 1.00 21.30 N ATOM 704 CA PHE A 97 14.051 24.625 14.623 1.00 21.14 C ATOM 705 C PHE A 97 13.760 25.514 13.412 1.00 21.87 C ATOM 706 O PHE A 97 12.679 26.106 13.278 1.00 21.38 O ATOM 707 CB PHE A 97 14.073 23.142 14.218 1.00 19.42 C ATOM 708 CG PHE A 97 12.767 22.632 13.678 1.00 18.44 C ATOM 709 CD1 PHE A 97 11.812 22.081 14.538 1.00 18.58 C ATOM 710 CD2 PHE A 97 12.493 22.703 12.310 1.00 19.23 C ATOM 711 CE1 PHE A 97 10.597 21.604 14.045 1.00 18.15 C ATOM 712 CE2 PHE A 97 11.283 22.232 11.801 1.00 19.69 C ATOM 713 CZ PHE A 97 10.328 21.678 12.669 1.00 19.53 C ATOM 714 N ASP A 98 14.764 25.639 12.555 1.00 23.66 N ATOM 715 CA ASP A 98 14.668 26.424 11.339 1.00 24.30 C ATOM 716 C ASP A 98 13.858 25.645 10.329 1.00 22.16 C ATOM 717 O ASP A 98 14.230 24.520 9.966 1.00 20.73 O ATOM 718 CB ASP A 98 16.050 26.660 10.770 1.00 29.64 C ATOM 719 CG ASP A 98 16.349 28.109 10.595 1.00 34.23 C ATOM 720 OD1 ASP A 98 17.026 28.661 11.486 1.00 37.46 O ATOM 721 OD2 ASP A 98 15.896 28.681 9.578 1.00 36.55 O ATOM 722 N VAL A 99 12.787 26.255 9.837 1.00 20.19 N ATOM 723 CA VAL A 99 11.929 25.599 8.866 1.00 19.55 C ATOM 724 C VAL A 99 12.634 25.346 7.531 1.00 19.81 C ATOM 725 O VAL A 99 12.251 24.445 6.799 1.00 20.82 O ATOM 726 CB VAL A 99 10.574 26.351 8.687 1.00 18.92 C ATOM 727 CG1 VAL A 99 9.695 25.651 7.639 1.00 16.17 C ATOM 728 CG2 VAL A 99 9.827 26.388 10.022 1.00 18.13 C ATOM 729 N SER A 100 13.697 26.084 7.235 1.00 18.74 N ATOM 730 CA SER A 100 14.401 25.848 5.984 1.00 19.84 C ATOM 731 C SER A 100 15.066 24.473 5.951 1.00 20.70 C ATOM 732 O SER A 100 15.396 23.941 4.886 1.00 21.49 O ATOM 733 CB SER A 100 15.406 26.961 5.708 1.00 19.92 C ATOM 734 OG SER A 100 16.170 27.269 6.864 1.00 22.78 O ATOM 735 N LYS A 101 15.198 23.855 7.120 1.00 21.77 N ATOM 736 CA LYS A 101 15.799 22.533 7.228 1.00 23.31 C ATOM 737 C LYS A 101 14.785 21.463 6.834 1.00 23.65 C ATOM 738 O LYS A 101 15.071 20.279 6.858 1.00 24.62 O ATOM 739 CB LYS A 101 16.263 22.274 8.666 1.00 24.20 C ATOM 740 CG LYS A 101 17.480 23.080 9.069 1.00 25.56 C ATOM 741 CD LYS A 101 18.135 22.509 10.343 1.00 28.79 C ATOM 742 CE LYS A 101 18.756 21.101 10.109 1.00 31.12 C ATOM 743 NZ LYS A 101 19.591 20.571 11.250 1.00 31.66 N ATOM 744 N ILE A 102 13.600 21.922 6.453 1.00 23.49 N ATOM 745 CA ILE A 102 12.495 21.047 6.091 1.00 24.66 C ATOM 746 C ILE A 102 12.208 21.348 4.624 1.00 24.94 C ATOM 747 O ILE A 102 12.396 22.478 4.181 1.00 26.05 O ATOM 748 CB ILE A 102 11.257 21.394 6.982 1.00 24.74 C ATOM 749 CG1 ILE A 102 11.559 21.049 8.434 1.00 25.32 C ATOM 750 CG2 ILE A 102 10.037 20.662 6.547 1.00 26.37 C ATOM 751 CD1 ILE A 102 11.963 19.614 8.650 1.00 24.29 C ATOM 752 N ALA A 103 11.820 20.333 3.863 1.00 25.27 N ATOM 753 CA ALA A 103 11.524 20.517 2.440 1.00 24.45 C ATOM 754 C ALA A 103 10.136 19.993 2.139 1.00 25.23 C ATOM 755 O ALA A 103 9.678 19.002 2.726 1.00 24.07 O ATOM 756 CB ALA A 103 12.550 19.790 1.585 1.00 23.52 C ATOM 757 N ALA A 104 9.456 20.686 1.235 1.00 26.43 N ATOM 758 CA ALA A 104 8.110 20.308 0.830 1.00 27.49 C ATOM 759 C ALA A 104 8.117 18.947 0.132 1.00 27.89 C ATOM 760 O ALA A 104 9.088 18.590 -0.539 1.00 28.40 O ATOM 761 CB ALA A 104 7.544 21.377 -0.088 1.00 27.80 C ATOM 762 N GLY A 105 7.062 18.168 0.338 1.00 28.16 N ATOM 763 CA GLY A 105 6.978 16.861 -0.284 1.00 28.96 C ATOM 764 C GLY A 105 7.801 15.788 0.411 1.00 29.53 C ATOM 765 O GLY A 105 7.578 14.589 0.198 1.00 30.31 O ATOM 766 N GLU A 106 8.788 16.212 1.197 1.00 29.95 N ATOM 767 CA GLU A 106 9.637 15.289 1.939 1.00 30.40 C ATOM 768 C GLU A 106 8.904 14.742 3.159 1.00 29.84 C ATOM 769 O GLU A 106 7.985 15.378 3.687 1.00 28.78 O ATOM 770 CB GLU A 106 10.915 15.992 2.379 1.00 32.38 C ATOM 771 CG GLU A 106 12.145 15.568 1.623 1.00 35.60 C ATOM 772 CD GLU A 106 12.785 14.337 2.227 1.00 39.22 C ATOM 773 OE1 GLU A 106 13.768 14.508 2.976 1.00 41.78 O ATOM 774 OE2 GLU A 106 12.301 13.209 1.973 1.00 41.63 O ATOM 775 N ASN A 107 9.296 13.545 3.583 1.00 29.78 N ATOM 776 CA ASN A 107 8.676 12.912 4.739 1.00 29.50 C ATOM 777 C ASN A 107 9.593 12.919 5.935 1.00 25.92 C ATOM 778 O ASN A 107 10.746 12.478 5.851 1.00 25.96 O ATOM 779 CB ASN A 107 8.266 11.478 4.417 1.00 33.09 C ATOM 780 CG ASN A 107 6.888 11.401 3.830 1.00 37.71 C ATOM 781 OD1 ASN A 107 6.711 10.995 2.679 1.00 40.03 O ATOM 782 ND2 ASN A 107 5.889 11.822 4.607 1.00 39.56 N ATOM 783 N TYR A 108 9.074 13.428 7.047 1.00 22.46 N ATOM 784 CA TYR A 108 9.829 13.498 8.282 1.00 19.82 C ATOM 785 C TYR A 108 9.123 12.732 9.395 1.00 17.90 C ATOM 786 O TYR A 108 7.897 12.672 9.450 1.00 18.44 O ATOM 787 CB TYR A 108 10.057 14.953 8.684 1.00 17.96 C ATOM 788 CG TYR A 108 10.817 15.737 7.652 1.00 17.06 C ATOM 789 CD1 TYR A 108 10.140 16.392 6.620 1.00 17.28 C ATOM 790 CD2 TYR A 108 12.209 15.812 7.682 1.00 15.91 C ATOM 791 CE1 TYR A 108 10.816 17.084 5.641 1.00 15.31 C ATOM 792 CE2 TYR A 108 12.900 16.513 6.704 1.00 15.89 C ATOM 793 CZ TYR A 108 12.195 17.145 5.690 1.00 16.27 C ATOM 794 OH TYR A 108 12.853 17.838 4.708 1.00 16.04 O ATOM 795 N ALA A 109 9.912 12.114 10.262 1.00 17.32 N ATOM 796 CA ALA A 109 9.372 11.342 11.366 1.00 15.42 C ATOM 797 C ALA A 109 9.833 11.916 12.691 1.00 13.92 C ATOM 798 O ALA A 109 10.967 12.376 12.814 1.00 14.03 O ATOM 799 CB ALA A 109 9.829 9.895 11.252 1.00 13.57 C ATOM 800 N TYR A 110 8.908 12.006 13.638 1.00 13.20 N ATOM 801 CA TYR A 110 9.267 12.422 14.987 1.00 14.11 C ATOM 802 C TYR A 110 9.007 11.152 15.805 1.00 12.47 C ATOM 803 O TYR A 110 8.030 10.455 15.574 1.00 11.70 O ATOM 804 CB TYR A 110 8.510 13.665 15.495 1.00 14.65 C ATOM 805 CG TYR A 110 7.000 13.617 15.525 1.00 17.10 C ATOM 806 CD1 TYR A 110 6.319 13.136 16.650 1.00 17.33 C ATOM 807 CD2 TYR A 110 6.243 14.122 14.460 1.00 17.05 C ATOM 808 CE1 TYR A 110 4.937 13.144 16.705 1.00 17.47 C ATOM 809 CE2 TYR A 110 4.858 14.131 14.512 1.00 17.99 C ATOM 810 CZ TYR A 110 4.212 13.643 15.638 1.00 18.13 C ATOM 811 OH TYR A 110 2.840 13.594 15.661 1.00 17.74 O ATOM 812 N PHE A 111 9.942 10.796 16.679 1.00 13.20 N ATOM 813 CA PHE A 111 9.834 9.565 17.452 1.00 11.76 C ATOM 814 C PHE A 111 10.612 9.711 18.738 1.00 11.49 C ATOM 815 O PHE A 111 11.428 10.619 18.875 1.00 9.10 O ATOM 816 CB PHE A 111 10.419 8.376 16.650 1.00 11.65 C ATOM 817 CG PHE A 111 11.821 8.603 16.163 1.00 12.14 C ATOM 818 CD1 PHE A 111 12.052 9.367 15.014 1.00 10.30 C ATOM 819 CD2 PHE A 111 12.920 8.149 16.902 1.00 10.79 C ATOM 820 CE1 PHE A 111 13.333 9.684 14.624 1.00 9.60 C ATOM 821 CE2 PHE A 111 14.192 8.462 16.517 1.00 8.45 C ATOM 822 CZ PHE A 111 14.403 9.234 15.380 1.00 9.89 C ATOM 823 N CYS A 112 10.349 8.804 19.672 1.00 11.04 N ATOM 824 CA CYS A 112 11.029 8.802 20.960 1.00 11.44 C ATOM 825 C CYS A 112 12.201 7.840 20.887 1.00 11.17 C ATOM 826 O CYS A 112 12.002 6.673 20.586 1.00 11.52 O ATOM 827 CB CYS A 112 10.062 8.364 22.063 1.00 11.30 C ATOM 828 SG CYS A 112 10.834 8.241 23.710 1.00 11.54 S ATOM 829 N SER A 113 13.413 8.329 21.165 1.00 10.10 N ATOM 830 CA SER A 113 14.608 7.480 21.115 1.00 10.95 C ATOM 831 C SER A 113 15.010 6.779 22.422 1.00 11.15 C ATOM 832 O SER A 113 16.081 6.150 22.490 1.00 12.20 O ATOM 833 CB SER A 113 15.811 8.232 20.526 1.00 10.04 C ATOM 834 OG SER A 113 16.163 9.346 21.315 1.00 12.74 O ATOM 835 N PHE A 114 14.180 6.902 23.458 1.00 10.36 N ATOM 836 CA PHE A 114 14.443 6.218 24.716 1.00 10.43 C ATOM 837 C PHE A 114 14.350 4.745 24.300 1.00 11.16 C ATOM 838 O PHE A 114 13.419 4.369 23.595 1.00 10.51 O ATOM 839 CB PHE A 114 13.353 6.576 25.731 1.00 10.62 C ATOM 840 CG PHE A 114 13.545 5.961 27.091 1.00 11.01 C ATOM 841 CD1 PHE A 114 13.054 4.684 27.372 1.00 11.19 C ATOM 842 CD2 PHE A 114 14.184 6.670 28.102 1.00 11.74 C ATOM 843 CE1 PHE A 114 13.213 4.120 28.642 1.00 13.08 C ATOM 844 CE2 PHE A 114 14.351 6.116 29.366 1.00 11.48 C ATOM 845 CZ PHE A 114 13.857 4.842 29.640 1.00 11.88 C ATOM 846 N PRO A 115 15.314 3.908 24.715 1.00 11.76 N ATOM 847 CA PRO A 115 15.354 2.483 24.385 1.00 11.40 C ATOM 848 C PRO A 115 14.032 1.749 24.217 1.00 12.49 C ATOM 849 O PRO A 115 13.171 1.766 25.107 1.00 13.60 O ATOM 850 CB PRO A 115 16.222 1.892 25.500 1.00 12.63 C ATOM 851 CG PRO A 115 16.420 3.019 26.483 1.00 11.34 C ATOM 852 CD PRO A 115 16.404 4.227 25.641 1.00 11.04 C ATOM 853 N GLY A 116 13.860 1.154 23.037 1.00 11.68 N ATOM 854 CA GLY A 116 12.655 0.413 22.724 1.00 12.03 C ATOM 855 C GLY A 116 11.400 1.214 22.421 1.00 12.69 C ATOM 856 O GLY A 116 10.452 0.653 21.907 1.00 16.05 O ATOM 857 N HIS A 117 11.380 2.519 22.673 1.00 13.59 N ATOM 858 CA HIS A 117 10.165 3.308 22.434 1.00 14.26 C ATOM 859 C HIS A 117 9.825 3.671 20.997 1.00 15.28 C ATOM 860 O HIS A 117 8.659 3.915 20.688 1.00 15.32 O ATOM 861 CB HIS A 117 10.175 4.603 23.262 1.00 13.82 C ATOM 862 CG HIS A 117 10.016 4.398 24.744 1.00 13.46 C ATOM 863 ND1 HIS A 117 9.704 5.409 25.608 1.00 12.49 N ATOM 864 CD2 HIS A 117 10.158 3.271 25.499 1.00 11.52 C ATOM 865 CE1 HIS A 117 9.657 4.930 26.854 1.00 10.78 C ATOM 866 NE2 HIS A 117 9.928 3.645 26.800 1.00 9.97 N ATOM 867 N TRP A 118 10.830 3.697 20.126 1.00 15.37 N ATOM 868 CA TRP A 118 10.641 4.095 18.726 1.00 16.62 C ATOM 869 C TRP A 118 9.623 3.310 17.906 1.00 16.06 C ATOM 870 O TRP A 118 8.980 3.862 17.028 1.00 17.60 O ATOM 871 CB TRP A 118 11.985 4.143 17.972 1.00 16.04 C ATOM 872 CG TRP A 118 12.591 2.788 17.656 1.00 16.41 C ATOM 873 CD1 TRP A 118 13.533 2.122 18.386 1.00 14.75 C ATOM 874 CD2 TRP A 118 12.324 1.950 16.507 1.00 16.44 C ATOM 875 NE1 TRP A 118 13.865 0.944 17.771 1.00 14.75 N ATOM 876 CE2 TRP A 118 13.140 0.818 16.616 1.00 15.63 C ATOM 877 CE3 TRP A 118 11.463 2.080 15.395 1.00 17.41 C ATOM 878 CZ2 TRP A 118 13.133 -0.212 15.658 1.00 16.53 C ATOM 879 CZ3 TRP A 118 11.454 1.054 14.442 1.00 16.49 C ATOM 880 CH2 TRP A 118 12.288 -0.071 14.581 1.00 17.17 C ATOM 881 N ALA A 119 9.477 2.029 18.204 1.00 14.96 N ATOM 882 CA ALA A 119 8.557 1.174 17.481 1.00 15.06 C ATOM 883 C ALA A 119 7.097 1.477 17.750 1.00 16.02 C ATOM 884 O ALA A 119 6.226 1.042 17.001 1.00 16.44 O ATOM 885 CB ALA A 119 8.855 -0.258 17.791 1.00 15.14 C ATOM 886 N MET A 120 6.824 2.221 18.817 1.00 17.09 N ATOM 887 CA MET A 120 5.451 2.564 19.174 1.00 16.59 C ATOM 888 C MET A 120 5.171 4.049 19.246 1.00 16.41 C ATOM 889 O MET A 120 4.022 4.470 19.167 1.00 18.00 O ATOM 890 CB MET A 120 5.083 1.946 20.520 1.00 17.79 C ATOM 891 CG MET A 120 4.718 0.479 20.443 1.00 21.10 C ATOM 892 SD MET A 120 4.104 -0.122 22.014 1.00 24.97 S ATOM 893 CE MET A 120 2.713 0.936 22.310 1.00 25.93 C ATOM 894 N MET A 121 6.216 4.846 19.403 1.00 16.05 N ATOM 895 CA MET A 121 6.035 6.280 19.528 1.00 16.44 C ATOM 896 C MET A 121 6.633 7.004 18.353 1.00 16.39 C ATOM 897 O MET A 121 7.814 7.340 18.370 1.00 17.95 O ATOM 898 CB MET A 121 6.673 6.771 20.833 1.00 16.46 C ATOM 899 CG MET A 121 6.156 6.050 22.072 1.00 15.46 C ATOM 900 SD MET A 121 6.776 6.697 23.614 1.00 15.50 S ATOM 901 CE MET A 121 6.069 8.307 23.605 1.00 13.90 C ATOM 902 N LYS A 122 5.815 7.256 17.338 1.00 17.12 N ATOM 903 CA LYS A 122 6.272 7.952 16.146 1.00 16.02 C ATOM 904 C LYS A 122 5.113 8.649 15.473 1.00 15.17 C ATOM 905 O LYS A 122 3.971 8.220 15.599 1.00 17.17 O ATOM 906 CB LYS A 122 6.909 6.979 15.156 1.00 18.05 C ATOM 907 CG LYS A 122 7.857 7.659 14.177 1.00 22.21 C ATOM 908 CD LYS A 122 7.679 7.156 12.742 1.00 25.18 C ATOM 909 CE LYS A 122 6.310 7.509 12.150 1.00 24.43 C ATOM 910 NZ LYS A 122 6.281 7.358 10.653 1.00 26.94 N ATOM 911 N GLY A 123 5.428 9.711 14.738 1.00 15.48 N ATOM 912 CA GLY A 123 4.432 10.496 14.016 1.00 13.48 C ATOM 913 C GLY A 123 5.065 11.120 12.778 1.00 14.15 C ATOM 914 O GLY A 123 6.283 11.047 12.592 1.00 13.95 O ATOM 915 N THR A 124 4.258 11.753 11.935 1.00 15.15 N ATOM 916 CA THR A 124 4.756 12.366 10.703 1.00 15.93 C ATOM 917 C THR A 124 4.682 13.877 10.760 1.00 15.55 C ATOM 918 O THR A 124 3.721 14.431 11.271 1.00 15.05 O ATOM 919 CB THR A 124 3.929 11.888 9.479 1.00 16.32 C ATOM 920 OG1 THR A 124 4.105 10.478 9.320 1.00 19.13 O ATOM 921 CG2 THR A 124 4.349 12.593 8.196 1.00 16.60 C ATOM 922 N LEU A 125 5.723 14.536 10.279 1.00 15.78 N ATOM 923 CA LEU A 125 5.746 15.989 10.228 1.00 16.10 C ATOM 924 C LEU A 125 6.019 16.349 8.772 1.00 18.24 C ATOM 925 O LEU A 125 6.801 15.675 8.093 1.00 18.12 O ATOM 926 CB LEU A 125 6.837 16.566 11.148 1.00 14.38 C ATOM 927 CG LEU A 125 7.019 18.095 11.177 1.00 14.37 C ATOM 928 CD1 LEU A 125 7.476 18.562 12.533 1.00 12.44 C ATOM 929 CD2 LEU A 125 7.977 18.569 10.080 1.00 13.74 C ATOM 930 N LYS A 126 5.334 17.369 8.273 1.00 19.88 N ATOM 931 CA LYS A 126 5.547 17.812 6.907 1.00 22.00 C ATOM 932 C LYS A 126 5.170 19.279 6.772 1.00 21.70 C ATOM 933 O LYS A 126 4.481 19.831 7.624 1.00 20.50 O ATOM 934 CB LYS A 126 4.758 16.943 5.925 1.00 24.01 C ATOM 935 CG LYS A 126 3.258 17.099 6.024 1.00 27.98 C ATOM 936 CD LYS A 126 2.571 15.751 6.110 1.00 31.67 C ATOM 937 CE LYS A 126 1.683 15.670 7.362 1.00 36.43 C ATOM 938 NZ LYS A 126 2.420 15.812 8.676 1.00 37.12 N ATOM 939 N LEU A 127 5.739 19.922 5.758 1.00 23.30 N ATOM 940 CA LEU A 127 5.498 21.322 5.435 1.00 25.17 C ATOM 941 C LEU A 127 4.266 21.306 4.538 1.00 28.26 C ATOM 942 O LEU A 127 4.236 20.578 3.549 1.00 30.84 O ATOM 943 CB LEU A 127 6.673 21.864 4.627 1.00 23.28 C ATOM 944 CG LEU A 127 6.795 23.380 4.508 1.00 22.53 C ATOM 945 CD1 LEU A 127 7.394 23.973 5.777 1.00 21.89 C ATOM 946 CD2 LEU A 127 7.678 23.720 3.324 1.00 22.52 C ATOM 947 N GLY A 128 3.250 22.085 4.878 1.00 30.89 N ATOM 948 CA GLY A 128 2.049 22.093 4.059 1.00 35.76 C ATOM 949 C GLY A 128 1.093 23.174 4.502 1.00 39.16 C ATOM 950 O GLY A 128 0.867 23.340 5.704 1.00 41.49 O ATOM 951 N SER A 129 0.537 23.926 3.549 1.00 41.73 N ATOM 952 CA SER A 129 -0.395 25.015 3.884 1.00 43.57 C ATOM 953 C SER A 129 -1.474 25.288 2.826 1.00 43.81 C ATOM 954 O SER A 129 -1.090 25.513 1.651 1.00 44.03 O ATOM 955 CB SER A 129 0.397 26.298 4.166 1.00 44.22 C ATOM 956 OG SER A 129 1.292 26.081 5.240 1.00 44.37 O ATOM 957 OXT SER A 129 -2.679 25.274 3.197 1.00 42.62 O TER 958 SER A 129 HETATM 959 CU CU A 130 9.564 7.345 25.175 1.00 15.48 CU HETATM 960 O HOH 1 2.439 25.795 11.634 1.00 43.78 O HETATM 961 O HOH 2 3.665 35.305 18.697 1.00 28.96 O HETATM 962 O HOH 3 -0.417 32.106 13.205 1.00 38.66 O HETATM 963 O HOH 4 1.034 25.048 20.508 1.00 43.27 O HETATM 964 O HOH 5 -1.632 17.730 21.779 1.00 25.00 O HETATM 965 O HOH 6 -0.793 19.685 18.264 1.00 41.96 O HETATM 966 O HOH 7 -1.159 22.573 19.716 1.00 36.27 O HETATM 967 O HOH 8 -3.406 18.577 8.344 1.00 42.74 O HETATM 968 O HOH 9 -1.989 12.396 26.134 1.00 35.22 O HETATM 969 O HOH 10 -2.683 9.018 28.668 1.00 43.38 O HETATM 970 O HOH 11 15.575 34.830 10.606 1.00 44.16 O HETATM 971 O HOH 12 -0.340 7.571 31.344 1.00 22.35 O HETATM 972 O HOH 13 1.904 4.320 35.701 1.00 38.78 O HETATM 973 O HOH 14 0.003 1.641 23.632 1.00 36.95 O HETATM 974 O HOH 15 5.462 2.542 27.794 1.00 49.18 O HETATM 975 O HOH 16 2.407 7.435 19.419 1.00 30.99 O HETATM 976 O HOH 17 -2.892 12.943 14.685 1.00 31.12 O HETATM 977 O HOH 18 -3.042 8.266 13.085 1.00 48.12 O HETATM 978 O HOH 19 -2.912 16.625 11.561 1.00 46.25 O HETATM 979 O HOH 20 -3.456 17.141 14.593 1.00 42.37 O HETATM 980 O HOH 21 5.734 33.270 11.081 1.00 37.19 O HETATM 981 O HOH 22 23.337 17.219 20.790 1.00 37.90 O HETATM 982 O HOH 23 13.450 35.833 11.561 1.00 52.96 O HETATM 983 O HOH 24 8.453 31.331 12.789 1.00 42.71 O HETATM 984 O HOH 25 1.641 16.710 33.443 1.00 40.31 O HETATM 985 O HOH 26 11.958 11.278 36.522 1.00 16.44 O HETATM 986 O HOH 27 14.346 8.825 36.655 1.00 23.58 O HETATM 987 O HOH 28 17.083 2.158 32.603 1.00 29.90 O HETATM 988 O HOH 29 9.967 1.908 28.917 1.00 10.81 O HETATM 989 O HOH 30 17.584 13.072 8.694 1.00 14.45 O HETATM 990 O HOH 31 7.129 7.442 4.230 1.00 46.76 O HETATM 991 O HOH 32 12.823 9.818 4.194 1.00 36.06 O HETATM 992 O HOH 33 17.288 4.224 9.414 1.00 21.28 O HETATM 993 O HOH 34 20.470 11.750 6.121 1.00 45.12 O HETATM 994 O HOH 35 8.229 3.473 14.353 1.00 23.72 O HETATM 995 O HOH 36 6.465 3.576 10.512 1.00 17.31 O HETATM 996 O HOH 37 9.476 1.227 10.569 1.00 35.13 O HETATM 997 O HOH 38 13.702 3.802 9.585 1.00 40.57 O HETATM 998 O HOH 39 14.510 -2.598 10.315 1.00 37.74 O HETATM 999 O HOH 40 21.432 9.393 17.677 1.00 20.39 O HETATM 1000 O HOH 41 16.521 3.866 20.947 1.00 22.21 O HETATM 1001 O HOH 42 23.478 3.310 11.914 1.00 44.86 O HETATM 1002 O HOH 43 24.151 8.113 30.386 1.00 18.85 O HETATM 1003 O HOH 44 20.954 14.775 32.317 1.00 53.32 O HETATM 1004 O HOH 45 22.912 14.543 22.844 1.00 33.96 O HETATM 1005 O HOH 46 27.451 11.611 28.533 1.00 20.54 O HETATM 1006 O HOH 47 19.647 17.385 28.764 1.00 50.92 O HETATM 1007 O HOH 48 19.055 18.486 24.674 1.00 40.37 O HETATM 1008 O HOH 49 21.111 3.193 28.613 1.00 33.20 O HETATM 1009 O HOH 50 25.606 10.776 12.469 1.00 49.41 O HETATM 1010 O HOH 51 26.915 10.860 22.198 1.00 33.15 O HETATM 1011 O HOH 52 22.383 15.808 17.742 1.00 30.69 O HETATM 1012 O HOH 53 20.261 17.871 10.856 1.00 55.69 O HETATM 1013 O HOH 54 17.776 19.813 18.610 1.00 28.64 O HETATM 1014 O HOH 55 10.067 13.034 36.227 1.00 29.05 O HETATM 1015 O HOH 56 11.576 19.290 36.150 1.00 52.83 O HETATM 1016 O HOH 57 15.012 25.089 23.820 1.00 45.59 O HETATM 1017 O HOH 58 8.398 24.130 27.660 1.00 20.93 O HETATM 1018 O HOH 59 12.388 26.471 22.512 1.00 39.81 O HETATM 1019 O HOH 60 23.613 19.491 11.367 1.00 49.69 O HETATM 1020 O HOH 61 4.403 20.646 -0.050 1.00 40.11 O HETATM 1021 O HOH 62 5.478 11.552 -1.469 1.00 47.75 O HETATM 1022 O HOH 63 4.361 8.806 2.111 1.00 50.16 O HETATM 1023 O HOH 64 15.523 1.342 20.837 1.00 28.93 O HETATM 1024 O HOH 65 7.972 -0.045 20.930 1.00 46.28 O HETATM 1025 O HOH 66 -1.118 14.709 8.445 1.00 34.79 O CONECT 20 19 193 CONECT 193 20 192 CONECT 340 339 959 CONECT 347 346 349 959 CONECT 828 827 959 CONECT 863 862 865 959 CONECT 900 899 901 959 CONECT 959 340 347 828 863 CONECT 959 900 MASTER 263 0 1 2 9 0 2 6 1024 1 9 10 END