HEADER HYDROLASE 14-OCT-09 3K8U TITLE CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF STREPTOCOCCUS TITLE 2 COMA, A BI-FUNCTIONAL ABC TRANSPORTER INVOLVED IN QUORUM TITLE 3 SENSING PATHWAY COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE ABC TRANSPORTER, ATP-BINDING PROTEIN COMPND 3 COMA; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: PEPTIDASE DOMAIN, RESIDUES 45-194; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 1309; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-21B KEYWDS ABC TRANSPORTER, COMA, CYSTEINE PROTEASE, QUORUM-SENSING, KEYWDS 2 STREPTOCOCCUS, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR S.ISHII,T.YANO,A.EBIHARA,A.OKAMOTO,M.MANZOKU,H.HAYASHI REVDAT 1 23-FEB-10 3K8U 0 JRNL AUTH S.ISHII,T.YANO,A.EBIHARA,A.OKAMOTO,M.MANZOKU, JRNL AUTH 2 H.HAYASHI JRNL TITL CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF JRNL TITL 2 STREPTOCOCCUS COMA, A BIFUNCTIONAL ATP-BINDING JRNL TITL 3 CASSETTE TRANSPORTER INVOLVED IN QUORUM SENSING JRNL TITL 4 PATHWAY JRNL REF J.BIOL.CHEM. 2010 JRNL REFN ESSN 1083-351X JRNL PMID 20100826 JRNL DOI 10.1074/JBC.M109.093781 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.44 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1517854.940 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 16053 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) : 0.212 REMARK 3 FREE R VALUE : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1614 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.90 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2340 REMARK 3 BIN R VALUE (WORKING SET) : 0.2300 REMARK 3 BIN FREE R VALUE : 0.2750 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 259 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.017 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1091 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 95 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 20.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.39000 REMARK 3 B22 (A**2) : 2.39000 REMARK 3 B33 (A**2) : -4.77000 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) : 0.22 REMARK 3 ESD FROM SIGMAA (A) : 0.07 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.24 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.14 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.08 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) : 1.670 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.760 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.240 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.560 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 23.24 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.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3K8U COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-OCT-09. REMARK 100 THE RCSB ID CODE IS RCSB055691. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-OCT-07; 27-NOV-07 REMARK 200 TEMPERATURE (KELVIN) : 100; 100 REMARK 200 PH : 5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : SPRING-8; SPRING-8 REMARK 200 BEAMLINE : BL26B2; BL26B2 REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9789, 0.9000, 0.9795; 1.000 REMARK 200 MONOCHROMATOR : SI DOUBLE-CRYSTAL; SI DOUBLE- REMARK 200 CRYSTAL REMARK 200 OPTICS : NULL; NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD; REMARK 200 MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16136 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 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 (%) : 100.0 REMARK 200 DATA REDUNDANCY : 13.300 REMARK 200 R MERGE (I) : 0.06400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 45.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 13.70 REMARK 200 R MERGE FOR SHELL (I) : 0.29900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 10.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.67 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 16% POLYETHYLENE GLYCOL 3350, 0.16M REMARK 280 DI-AMMONIUM HYDROGEN CITRATE, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 56.02500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.30500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.30500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 84.03750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.30500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.30500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 28.01250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.30500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.30500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 84.03750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.30500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.30500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 28.01250 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 56.02500 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 237 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 240 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 TRP A 2 REMARK 465 ARG A 3 REMARK 465 ARG A 4 REMARK 465 PRO A 142 REMARK 465 ASN A 143 REMARK 465 TYR A 144 REMARK 465 LYS A 145 REMARK 465 PRO A 146 REMARK 465 HIS A 147 REMARK 465 LYS A 148 REMARK 465 GLY A 149 REMARK 465 GLU A 150 REMARK 465 HIS A 151 REMARK 465 HIS A 152 REMARK 465 HIS A 153 REMARK 465 HIS A 154 REMARK 465 HIS A 155 REMARK 465 HIS A 156 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 ILE A 12 -56.88 -123.95 REMARK 500 ASN A 45 -165.98 -117.82 REMARK 500 ASN A 105 -125.87 71.38 REMARK 500 VAL A 117 -60.66 -122.44 REMARK 500 LYS A 118 -139.18 57.51 REMARK 500 REMARK 500 REMARK: NULL DBREF 3K8U A 2 150 UNP Q8DW05 Q8DW05_STRMU 46 194 SEQADV 3K8U MET A 1 UNP Q8DW05 INITIATING METHIONINE SEQADV 3K8U HIS A 151 UNP Q8DW05 EXPRESSION TAG SEQADV 3K8U HIS A 152 UNP Q8DW05 EXPRESSION TAG SEQADV 3K8U HIS A 153 UNP Q8DW05 EXPRESSION TAG SEQADV 3K8U HIS A 154 UNP Q8DW05 EXPRESSION TAG SEQADV 3K8U HIS A 155 UNP Q8DW05 EXPRESSION TAG SEQADV 3K8U HIS A 156 UNP Q8DW05 EXPRESSION TAG SEQRES 1 A 156 MET TRP ARG ARG HIS TYR LYS LEU VAL PRO GLN ILE ASP SEQRES 2 A 156 THR ARG ASP CYS GLY PRO ALA VAL LEU ALA SER VAL ALA SEQRES 3 A 156 LYS HIS TYR GLY SER ASN TYR SER ILE ALA TYR LEU ARG SEQRES 4 A 156 GLU LEU SER LYS THR ASN LYS GLN GLY THR THR ALA LEU SEQRES 5 A 156 GLY ILE VAL GLU ALA ALA LYS LYS LEU GLY PHE GLU THR SEQRES 6 A 156 ARG SER ILE LYS ALA ASP MET THR LEU PHE ASP TYR ASN SEQRES 7 A 156 ASP LEU THR TYR PRO PHE ILE VAL HIS VAL ILE LYS GLY SEQRES 8 A 156 LYS ARG LEU GLN HIS TYR TYR VAL VAL TYR GLY SER GLN SEQRES 9 A 156 ASN ASN GLN LEU ILE ILE GLY ASP PRO ASP PRO SER VAL SEQRES 10 A 156 LYS VAL THR ARG MET SER LYS GLU ARG PHE GLN SER GLU SEQRES 11 A 156 TRP THR GLY LEU ALA ILE PHE LEU ALA PRO GLN PRO ASN SEQRES 12 A 156 TYR LYS PRO HIS LYS GLY GLU HIS HIS HIS HIS HIS HIS FORMUL 2 HOH *95(H2 O) HELIX 1 1 ASP A 16 TYR A 29 1 14 HELIX 2 2 SER A 34 SER A 42 1 9 HELIX 3 3 THR A 50 LEU A 61 1 12 HELIX 4 4 ASP A 71 TYR A 77 5 7 HELIX 5 5 LYS A 124 GLU A 130 1 7 SHEET 1 A 6 PHE A 63 LYS A 69 0 SHEET 2 A 6 TRP A 131 PRO A 140 -1 O ALA A 139 N GLU A 64 SHEET 3 A 6 PHE A 84 LYS A 90 -1 N ILE A 85 O ILE A 136 SHEET 4 A 6 ARG A 93 GLN A 104 -1 O VAL A 100 N PHE A 84 SHEET 5 A 6 GLN A 107 ASP A 112 -1 O GLY A 111 N VAL A 99 SHEET 6 A 6 LYS A 118 SER A 123 -1 O MET A 122 N LEU A 108 CISPEP 1 TYR A 82 PRO A 83 0 -0.07 CRYST1 58.610 58.610 112.050 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017062 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017062 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008925 0.00000 ATOM 1 N HIS A 5 -3.699 2.695 21.925 1.00 46.51 N ATOM 2 CA HIS A 5 -2.207 2.648 21.888 1.00 45.43 C ATOM 3 C HIS A 5 -1.619 4.048 21.755 1.00 43.80 C ATOM 4 O HIS A 5 -0.624 4.382 22.400 1.00 44.44 O ATOM 5 CB HIS A 5 -1.728 1.798 20.705 1.00 47.90 C ATOM 6 CG HIS A 5 -2.140 0.360 20.780 1.00 50.38 C ATOM 7 ND1 HIS A 5 -1.984 -0.403 21.918 1.00 50.97 N ATOM 8 CD2 HIS A 5 -2.685 -0.459 19.850 1.00 51.13 C ATOM 9 CE1 HIS A 5 -2.415 -1.630 21.685 1.00 51.83 C ATOM 10 NE2 HIS A 5 -2.845 -1.691 20.437 1.00 52.16 N ATOM 11 N TYR A 6 -2.240 4.858 20.905 1.00 40.25 N ATOM 12 CA TYR A 6 -1.776 6.216 20.655 1.00 36.92 C ATOM 13 C TYR A 6 -2.557 7.250 21.454 1.00 35.16 C ATOM 14 O TYR A 6 -3.735 7.504 21.194 1.00 35.01 O ATOM 15 CB TYR A 6 -1.839 6.506 19.155 1.00 34.67 C ATOM 16 CG TYR A 6 -1.143 5.438 18.341 1.00 33.94 C ATOM 17 CD1 TYR A 6 -1.845 4.673 17.413 1.00 35.40 C ATOM 18 CD2 TYR A 6 0.207 5.155 18.541 1.00 34.42 C ATOM 19 CE1 TYR A 6 -1.219 3.647 16.706 1.00 36.26 C ATOM 20 CE2 TYR A 6 0.842 4.136 17.843 1.00 35.39 C ATOM 21 CZ TYR A 6 0.124 3.385 16.928 1.00 36.22 C ATOM 22 OH TYR A 6 0.747 2.364 16.248 1.00 38.09 O ATOM 23 N LYS A 7 -1.883 7.839 22.435 1.00 32.72 N ATOM 24 CA LYS A 7 -2.498 8.837 23.296 1.00 31.55 C ATOM 25 C LYS A 7 -2.464 10.237 22.699 1.00 29.99 C ATOM 26 O LYS A 7 -1.421 10.722 22.253 1.00 29.67 O ATOM 27 CB LYS A 7 -1.849 8.806 24.682 1.00 34.51 C ATOM 28 CG LYS A 7 -2.183 7.534 25.462 1.00 37.86 C ATOM 29 CD LYS A 7 -1.407 7.417 26.767 1.00 41.42 C ATOM 30 CE LYS A 7 0.051 7.069 26.519 1.00 42.86 C ATOM 31 NZ LYS A 7 0.788 6.810 27.789 1.00 46.67 N ATOM 32 N LEU A 8 -3.633 10.864 22.653 1.00 25.24 N ATOM 33 CA LEU A 8 -3.761 12.207 22.116 1.00 22.73 C ATOM 34 C LEU A 8 -4.681 13.056 22.971 1.00 22.66 C ATOM 35 O LEU A 8 -5.808 12.655 23.276 1.00 22.05 O ATOM 36 CB LEU A 8 -4.318 12.170 20.691 1.00 21.62 C ATOM 37 CG LEU A 8 -4.680 13.541 20.100 1.00 22.21 C ATOM 38 CD1 LEU A 8 -3.430 14.286 19.647 1.00 20.25 C ATOM 39 CD2 LEU A 8 -5.612 13.358 18.945 1.00 23.53 C ATOM 40 N VAL A 9 -4.183 14.219 23.370 1.00 20.60 N ATOM 41 CA VAL A 9 -4.966 15.163 24.150 1.00 20.46 C ATOM 42 C VAL A 9 -5.478 16.165 23.119 1.00 20.54 C ATOM 43 O VAL A 9 -4.694 16.906 22.519 1.00 20.16 O ATOM 44 CB VAL A 9 -4.105 15.888 25.209 1.00 21.08 C ATOM 45 CG1 VAL A 9 -4.949 16.913 25.958 1.00 21.93 C ATOM 46 CG2 VAL A 9 -3.514 14.880 26.192 1.00 21.99 C ATOM 47 N PRO A 10 -6.792 16.145 22.841 1.00 19.61 N ATOM 48 CA PRO A 10 -7.375 17.063 21.862 1.00 20.34 C ATOM 49 C PRO A 10 -7.529 18.488 22.376 1.00 19.76 C ATOM 50 O PRO A 10 -7.522 18.730 23.580 1.00 19.76 O ATOM 51 CB PRO A 10 -8.730 16.423 21.568 1.00 22.25 C ATOM 52 CG PRO A 10 -9.110 15.834 22.889 1.00 22.47 C ATOM 53 CD PRO A 10 -7.811 15.223 23.380 1.00 21.62 C ATOM 54 N GLN A 11 -7.595 19.436 21.449 1.00 17.85 N ATOM 55 CA GLN A 11 -7.786 20.834 21.808 1.00 17.59 C ATOM 56 C GLN A 11 -9.288 21.119 21.819 1.00 17.27 C ATOM 57 O GLN A 11 -10.084 20.333 21.295 1.00 17.36 O ATOM 58 CB GLN A 11 -7.109 21.751 20.779 1.00 18.52 C ATOM 59 CG GLN A 11 -7.786 21.757 19.406 1.00 18.88 C ATOM 60 CD GLN A 11 -7.024 22.571 18.376 1.00 20.28 C ATOM 61 OE1 GLN A 11 -6.476 22.021 17.426 1.00 21.27 O ATOM 62 NE2 GLN A 11 -6.990 23.889 18.560 1.00 17.99 N ATOM 63 N ILE A 12 -9.668 22.219 22.460 1.00 16.99 N ATOM 64 CA ILE A 12 -11.060 22.662 22.497 1.00 18.70 C ATOM 65 C ILE A 12 -11.017 24.085 21.945 1.00 19.35 C ATOM 66 O ILE A 12 -11.667 24.384 20.942 1.00 22.31 O ATOM 67 CB ILE A 12 -11.664 22.635 23.923 1.00 17.84 C ATOM 68 CG1 ILE A 12 -11.637 21.205 24.477 1.00 19.10 C ATOM 69 CG2 ILE A 12 -13.107 23.141 23.883 1.00 18.81 C ATOM 70 CD1 ILE A 12 -12.104 21.082 25.919 1.00 18.53 C ATOM 71 N ASP A 13 -10.217 24.946 22.577 1.00 20.33 N ATOM 72 CA ASP A 13 -10.036 26.324 22.109 1.00 21.73 C ATOM 73 C ASP A 13 -9.191 26.245 20.833 1.00 21.40 C ATOM 74 O ASP A 13 -8.242 25.465 20.765 1.00 18.30 O ATOM 75 CB ASP A 13 -9.294 27.169 23.153 1.00 23.67 C ATOM 76 CG ASP A 13 -10.176 27.582 24.321 1.00 29.53 C ATOM 77 OD1 ASP A 13 -11.403 27.741 24.131 1.00 34.19 O ATOM 78 OD2 ASP A 13 -9.633 27.776 25.431 1.00 30.94 O ATOM 79 N THR A 14 -9.524 27.061 19.834 1.00 21.48 N ATOM 80 CA THR A 14 -8.803 27.048 18.558 1.00 22.04 C ATOM 81 C THR A 14 -7.318 27.403 18.630 1.00 21.72 C ATOM 82 O THR A 14 -6.538 26.994 17.771 1.00 22.27 O ATOM 83 CB THR A 14 -9.496 27.957 17.508 1.00 23.79 C ATOM 84 OG1 THR A 14 -9.566 29.301 17.999 1.00 25.13 O ATOM 85 CG2 THR A 14 -10.906 27.455 17.224 1.00 27.27 C ATOM 86 N ARG A 15 -6.921 28.125 19.673 1.00 19.81 N ATOM 87 CA ARG A 15 -5.528 28.535 19.843 1.00 20.32 C ATOM 88 C ARG A 15 -4.662 27.495 20.560 1.00 17.49 C ATOM 89 O ARG A 15 -3.451 27.668 20.660 1.00 16.73 O ATOM 90 CB ARG A 15 -5.471 29.836 20.653 1.00 24.07 C ATOM 91 CG ARG A 15 -5.745 29.635 22.155 1.00 28.23 C ATOM 92 CD ARG A 15 -5.696 30.940 22.939 1.00 32.55 C ATOM 93 NE ARG A 15 -6.806 31.827 22.603 1.00 35.75 N ATOM 94 CZ ARG A 15 -6.926 33.080 23.034 1.00 38.39 C ATOM 95 NH1 ARG A 15 -6.002 33.611 23.824 1.00 38.93 N ATOM 96 NH2 ARG A 15 -7.973 33.807 22.670 1.00 38.40 N ATOM 97 N ASP A 16 -5.275 26.406 21.018 1.00 16.82 N ATOM 98 CA ASP A 16 -4.565 25.389 21.798 1.00 15.47 C ATOM 99 C ASP A 16 -3.917 24.183 21.129 1.00 15.00 C ATOM 100 O ASP A 16 -3.638 23.196 21.809 1.00 12.57 O ATOM 101 CB ASP A 16 -5.468 24.890 22.934 1.00 14.33 C ATOM 102 CG ASP A 16 -5.723 25.947 23.993 1.00 16.93 C ATOM 103 OD1 ASP A 16 -4.869 26.837 24.176 1.00 15.51 O ATOM 104 OD2 ASP A 16 -6.775 25.873 24.659 1.00 15.43 O ATOM 105 N CYS A 17 -3.626 24.251 19.833 1.00 14.02 N ATOM 106 CA CYS A 17 -3.006 23.098 19.182 1.00 13.41 C ATOM 107 C CYS A 17 -1.618 22.791 19.751 1.00 13.80 C ATOM 108 O CYS A 17 -1.262 21.623 19.922 1.00 12.88 O ATOM 109 CB CYS A 17 -2.921 23.286 17.667 1.00 15.72 C ATOM 110 SG CYS A 17 -2.627 21.723 16.811 1.00 18.40 S ATOM 111 N GLY A 18 -0.851 23.840 20.047 1.00 12.95 N ATOM 112 CA GLY A 18 0.484 23.675 20.608 1.00 15.04 C ATOM 113 C GLY A 18 0.428 22.992 21.963 1.00 15.28 C ATOM 114 O GLY A 18 1.128 21.999 22.199 1.00 14.74 O ATOM 115 N PRO A 19 -0.346 23.548 22.907 1.00 15.01 N ATOM 116 CA PRO A 19 -0.472 22.950 24.238 1.00 14.56 C ATOM 117 C PRO A 19 -0.945 21.498 24.128 1.00 12.92 C ATOM 118 O PRO A 19 -0.471 20.630 24.859 1.00 13.03 O ATOM 119 CB PRO A 19 -1.535 23.830 24.895 1.00 13.93 C ATOM 120 CG PRO A 19 -1.240 25.167 24.334 1.00 15.92 C ATOM 121 CD PRO A 19 -0.974 24.882 22.869 1.00 15.44 C ATOM 122 N ALA A 20 -1.855 21.236 23.188 1.00 13.01 N ATOM 123 CA ALA A 20 -2.394 19.891 22.985 1.00 12.23 C ATOM 124 C ALA A 20 -1.362 18.855 22.547 1.00 13.77 C ATOM 125 O ALA A 20 -1.313 17.764 23.118 1.00 12.87 O ATOM 126 CB ALA A 20 -3.563 19.921 22.008 1.00 13.84 C ATOM 127 N VAL A 21 -0.553 19.165 21.531 1.00 13.28 N ATOM 128 CA VAL A 21 0.459 18.199 21.092 1.00 12.98 C ATOM 129 C VAL A 21 1.507 17.967 22.177 1.00 13.65 C ATOM 130 O VAL A 21 1.963 16.842 22.364 1.00 13.62 O ATOM 131 CB VAL A 21 1.145 18.577 19.737 1.00 13.15 C ATOM 132 CG1 VAL A 21 0.106 18.609 18.626 1.00 10.79 C ATOM 133 CG2 VAL A 21 1.887 19.903 19.834 1.00 11.31 C ATOM 134 N LEU A 22 1.857 19.017 22.918 1.00 14.59 N ATOM 135 CA LEU A 22 2.836 18.879 23.990 1.00 15.76 C ATOM 136 C LEU A 22 2.270 17.981 25.092 1.00 16.03 C ATOM 137 O LEU A 22 2.962 17.092 25.590 1.00 16.53 O ATOM 138 CB LEU A 22 3.236 20.247 24.553 1.00 17.14 C ATOM 139 CG LEU A 22 4.260 20.245 25.698 1.00 18.36 C ATOM 140 CD1 LEU A 22 5.512 19.473 25.300 1.00 19.79 C ATOM 141 CD2 LEU A 22 4.611 21.675 26.077 1.00 18.04 C ATOM 142 N ALA A 23 1.005 18.195 25.446 1.00 16.95 N ATOM 143 CA ALA A 23 0.350 17.380 26.471 1.00 18.36 C ATOM 144 C ALA A 23 0.291 15.919 26.019 1.00 18.52 C ATOM 145 O ALA A 23 0.478 14.997 26.822 1.00 16.99 O ATOM 146 CB ALA A 23 -1.061 17.905 26.751 1.00 16.38 C ATOM 147 N SER A 24 0.059 15.716 24.725 1.00 16.62 N ATOM 148 CA SER A 24 -0.021 14.374 24.153 1.00 16.00 C ATOM 149 C SER A 24 1.288 13.607 24.307 1.00 17.18 C ATOM 150 O SER A 24 1.295 12.464 24.778 1.00 19.36 O ATOM 151 CB SER A 24 -0.407 14.445 22.672 1.00 14.81 C ATOM 152 OG SER A 24 -1.668 15.068 22.496 1.00 14.65 O ATOM 153 N VAL A 25 2.391 14.233 23.907 1.00 17.71 N ATOM 154 CA VAL A 25 3.707 13.608 24.003 1.00 19.91 C ATOM 155 C VAL A 25 4.076 13.364 25.464 1.00 22.85 C ATOM 156 O VAL A 25 4.543 12.280 25.821 1.00 21.48 O ATOM 157 CB VAL A 25 4.794 14.465 23.318 1.00 18.33 C ATOM 158 CG1 VAL A 25 6.181 13.883 23.581 1.00 20.65 C ATOM 159 CG2 VAL A 25 4.534 14.522 21.814 1.00 18.69 C ATOM 160 N ALA A 26 3.830 14.362 26.310 1.00 23.61 N ATOM 161 CA ALA A 26 4.129 14.240 27.734 1.00 26.03 C ATOM 162 C ALA A 26 3.383 13.051 28.341 1.00 26.81 C ATOM 163 O ALA A 26 3.938 12.314 29.160 1.00 29.68 O ATOM 164 CB ALA A 26 3.768 15.532 28.464 1.00 24.06 C ATOM 165 N LYS A 27 2.139 12.852 27.908 1.00 27.57 N ATOM 166 CA LYS A 27 1.305 11.757 28.393 1.00 30.59 C ATOM 167 C LYS A 27 1.891 10.400 28.001 1.00 31.68 C ATOM 168 O LYS A 27 1.748 9.419 28.734 1.00 29.91 O ATOM 169 CB LYS A 27 -0.126 11.899 27.864 1.00 32.40 C ATOM 170 CG LYS A 27 -1.137 11.013 28.571 1.00 36.48 C ATOM 171 CD LYS A 27 -2.565 11.362 28.184 1.00 40.00 C ATOM 172 CE LYS A 27 -3.560 10.555 29.009 1.00 42.58 C ATOM 173 NZ LYS A 27 -4.975 10.924 28.724 1.00 45.01 N ATOM 174 N HIS A 28 2.543 10.348 26.840 1.00 30.74 N ATOM 175 CA HIS A 28 3.171 9.116 26.371 1.00 31.64 C ATOM 176 C HIS A 28 4.268 8.706 27.353 1.00 31.85 C ATOM 177 O HIS A 28 4.449 7.522 27.636 1.00 32.92 O ATOM 178 CB HIS A 28 3.771 9.310 24.974 1.00 30.51 C ATOM 179 CG HIS A 28 4.611 8.158 24.513 1.00 30.77 C ATOM 180 ND1 HIS A 28 5.987 8.167 24.582 1.00 31.15 N ATOM 181 CD2 HIS A 28 4.269 6.956 23.994 1.00 30.93 C ATOM 182 CE1 HIS A 28 6.457 7.020 24.125 1.00 30.80 C ATOM 183 NE2 HIS A 28 5.435 6.267 23.762 1.00 29.89 N ATOM 184 N TYR A 29 4.975 9.700 27.885 1.00 32.68 N ATOM 185 CA TYR A 29 6.049 9.461 28.840 1.00 34.54 C ATOM 186 C TYR A 29 5.582 9.418 30.300 1.00 36.00 C ATOM 187 O TYR A 29 6.382 9.589 31.222 1.00 37.29 O ATOM 188 CB TYR A 29 7.162 10.492 28.649 1.00 35.20 C ATOM 189 CG TYR A 29 7.867 10.367 27.316 1.00 37.21 C ATOM 190 CD1 TYR A 29 8.611 9.229 27.005 1.00 37.53 C ATOM 191 CD2 TYR A 29 7.784 11.381 26.362 1.00 37.59 C ATOM 192 CE1 TYR A 29 9.257 9.103 25.778 1.00 38.64 C ATOM 193 CE2 TYR A 29 8.426 11.264 25.130 1.00 37.51 C ATOM 194 CZ TYR A 29 9.159 10.123 24.846 1.00 37.96 C ATOM 195 OH TYR A 29 9.793 9.999 23.631 1.00 39.45 O ATOM 196 N GLY A 30 4.283 9.205 30.498 1.00 36.77 N ATOM 197 CA GLY A 30 3.729 9.102 31.840 1.00 38.69 C ATOM 198 C GLY A 30 3.324 10.360 32.591 1.00 38.68 C ATOM 199 O GLY A 30 2.794 10.257 33.700 1.00 39.11 O ATOM 200 N SER A 31 3.573 11.535 32.019 1.00 38.28 N ATOM 201 CA SER A 31 3.216 12.793 32.678 1.00 38.63 C ATOM 202 C SER A 31 1.925 13.390 32.126 1.00 38.09 C ATOM 203 O SER A 31 1.728 13.452 30.913 1.00 38.22 O ATOM 204 CB SER A 31 4.349 13.811 32.543 1.00 38.58 C ATOM 205 OG SER A 31 5.516 13.379 33.217 1.00 42.26 O ATOM 206 N ASN A 32 1.043 13.821 33.023 1.00 37.03 N ATOM 207 CA ASN A 32 -0.223 14.420 32.617 1.00 36.24 C ATOM 208 C ASN A 32 -0.300 15.895 33.000 1.00 34.39 C ATOM 209 O ASN A 32 -0.293 16.246 34.183 1.00 35.20 O ATOM 210 CB ASN A 32 -1.408 13.649 33.210 1.00 39.57 C ATOM 211 CG ASN A 32 -1.675 12.338 32.487 1.00 42.72 C ATOM 212 OD1 ASN A 32 -0.769 11.528 32.281 1.00 44.23 O ATOM 213 ND2 ASN A 32 -2.927 12.126 32.093 1.00 43.98 N ATOM 214 N TYR A 33 -0.336 16.753 31.984 1.00 28.94 N ATOM 215 CA TYR A 33 -0.418 18.195 32.179 1.00 25.33 C ATOM 216 C TYR A 33 -1.634 18.741 31.443 1.00 22.72 C ATOM 217 O TYR A 33 -1.908 18.362 30.300 1.00 20.67 O ATOM 218 CB TYR A 33 0.844 18.886 31.661 1.00 25.81 C ATOM 219 CG TYR A 33 2.104 18.488 32.389 1.00 28.95 C ATOM 220 CD1 TYR A 33 2.386 18.988 33.659 1.00 29.45 C ATOM 221 CD2 TYR A 33 3.014 17.601 31.812 1.00 29.62 C ATOM 222 CE1 TYR A 33 3.540 18.614 34.338 1.00 31.28 C ATOM 223 CE2 TYR A 33 4.170 17.222 32.482 1.00 30.12 C ATOM 224 CZ TYR A 33 4.425 17.731 33.743 1.00 32.04 C ATOM 225 OH TYR A 33 5.565 17.355 34.411 1.00 35.13 O ATOM 226 N SER A 34 -2.350 19.645 32.100 1.00 19.30 N ATOM 227 CA SER A 34 -3.545 20.249 31.524 1.00 16.64 C ATOM 228 C SER A 34 -3.207 21.234 30.418 1.00 14.04 C ATOM 229 O SER A 34 -2.123 21.815 30.400 1.00 13.41 O ATOM 230 CB SER A 34 -4.329 20.991 32.604 1.00 15.79 C ATOM 231 OG SER A 34 -3.624 22.146 33.035 1.00 14.55 O ATOM 232 N ILE A 35 -4.160 21.436 29.515 1.00 13.51 N ATOM 233 CA ILE A 35 -3.993 22.378 28.415 1.00 15.20 C ATOM 234 C ILE A 35 -3.827 23.800 28.957 1.00 15.75 C ATOM 235 O ILE A 35 -2.964 24.546 28.496 1.00 12.99 O ATOM 236 CB ILE A 35 -5.193 22.301 27.439 1.00 15.19 C ATOM 237 CG1 ILE A 35 -5.075 21.029 26.585 1.00 19.06 C ATOM 238 CG2 ILE A 35 -5.259 23.539 26.550 1.00 16.61 C ATOM 239 CD1 ILE A 35 -6.184 20.867 25.569 1.00 22.15 C ATOM 240 N ALA A 36 -4.617 24.153 29.971 1.00 13.53 N ATOM 241 CA ALA A 36 -4.547 25.492 30.557 1.00 14.56 C ATOM 242 C ALA A 36 -3.154 25.786 31.112 1.00 14.82 C ATOM 243 O ALA A 36 -2.639 26.897 30.968 1.00 16.58 O ATOM 244 CB ALA A 36 -5.607 25.651 31.653 1.00 16.25 C ATOM 245 N TYR A 37 -2.547 24.781 31.734 1.00 15.65 N ATOM 246 CA TYR A 37 -1.210 24.919 32.307 1.00 16.93 C ATOM 247 C TYR A 37 -0.147 25.067 31.217 1.00 17.59 C ATOM 248 O TYR A 37 0.711 25.948 31.293 1.00 16.71 O ATOM 249 CB TYR A 37 -0.896 23.706 33.183 1.00 19.48 C ATOM 250 CG TYR A 37 0.484 23.694 33.804 1.00 22.91 C ATOM 251 CD1 TYR A 37 0.838 24.617 34.787 1.00 27.27 C ATOM 252 CD2 TYR A 37 1.425 22.734 33.433 1.00 24.83 C ATOM 253 CE1 TYR A 37 2.093 24.581 35.390 1.00 28.61 C ATOM 254 CE2 TYR A 37 2.682 22.689 34.026 1.00 26.77 C ATOM 255 CZ TYR A 37 3.009 23.613 35.004 1.00 30.01 C ATOM 256 OH TYR A 37 4.249 23.568 35.597 1.00 31.92 O ATOM 257 N LEU A 38 -0.207 24.205 30.206 1.00 16.86 N ATOM 258 CA LEU A 38 0.763 24.250 29.114 1.00 17.52 C ATOM 259 C LEU A 38 0.592 25.484 28.240 1.00 17.15 C ATOM 260 O LEU A 38 1.561 25.984 27.669 1.00 19.83 O ATOM 261 CB LEU A 38 0.699 22.971 28.273 1.00 16.03 C ATOM 262 CG LEU A 38 1.088 21.701 29.034 1.00 18.90 C ATOM 263 CD1 LEU A 38 1.029 20.505 28.106 1.00 18.58 C ATOM 264 CD2 LEU A 38 2.488 21.854 29.613 1.00 18.66 C ATOM 265 N ARG A 39 -0.634 25.991 28.159 1.00 16.38 N ATOM 266 CA ARG A 39 -0.920 27.190 27.375 1.00 17.11 C ATOM 267 C ARG A 39 -0.125 28.347 27.975 1.00 18.89 C ATOM 268 O ARG A 39 0.466 29.155 27.253 1.00 17.23 O ATOM 269 CB ARG A 39 -2.416 27.515 27.424 1.00 17.15 C ATOM 270 CG ARG A 39 -2.839 28.680 26.532 1.00 17.38 C ATOM 271 CD ARG A 39 -4.262 29.137 26.838 1.00 18.33 C ATOM 272 NE ARG A 39 -5.240 28.066 26.658 1.00 19.44 N ATOM 273 CZ ARG A 39 -6.057 27.624 27.610 1.00 20.17 C ATOM 274 NH1 ARG A 39 -6.022 28.154 28.828 1.00 18.51 N ATOM 275 NH2 ARG A 39 -6.931 26.668 27.336 1.00 17.46 N ATOM 276 N GLU A 40 -0.111 28.409 29.304 1.00 19.35 N ATOM 277 CA GLU A 40 0.614 29.451 30.024 1.00 22.90 C ATOM 278 C GLU A 40 2.131 29.267 29.909 1.00 23.49 C ATOM 279 O GLU A 40 2.859 30.226 29.638 1.00 24.06 O ATOM 280 CB GLU A 40 0.173 29.474 31.495 1.00 25.31 C ATOM 281 CG GLU A 40 0.970 30.413 32.407 1.00 31.99 C ATOM 282 CD GLU A 40 0.978 31.861 31.939 1.00 36.57 C ATOM 283 OE1 GLU A 40 -0.003 32.306 31.302 1.00 37.51 O ATOM 284 OE2 GLU A 40 1.975 32.562 32.220 1.00 40.35 O ATOM 285 N LEU A 41 2.594 28.029 30.073 1.00 23.33 N ATOM 286 CA LEU A 41 4.020 27.711 29.988 1.00 24.67 C ATOM 287 C LEU A 41 4.630 27.939 28.608 1.00 24.88 C ATOM 288 O LEU A 41 5.817 28.257 28.496 1.00 24.25 O ATOM 289 CB LEU A 41 4.271 26.263 30.407 1.00 25.98 C ATOM 290 CG LEU A 41 4.824 26.008 31.809 1.00 31.06 C ATOM 291 CD1 LEU A 41 3.870 26.550 32.861 1.00 31.75 C ATOM 292 CD2 LEU A 41 5.054 24.516 31.995 1.00 30.01 C ATOM 293 N SER A 42 3.829 27.753 27.563 1.00 23.25 N ATOM 294 CA SER A 42 4.301 27.931 26.190 1.00 24.46 C ATOM 295 C SER A 42 4.070 29.336 25.636 1.00 25.04 C ATOM 296 O SER A 42 4.354 29.596 24.466 1.00 25.10 O ATOM 297 CB SER A 42 3.641 26.899 25.271 1.00 23.96 C ATOM 298 OG SER A 42 2.235 27.061 25.257 1.00 22.11 O ATOM 299 N LYS A 43 3.540 30.231 26.472 1.00 26.09 N ATOM 300 CA LYS A 43 3.259 31.613 26.077 1.00 28.67 C ATOM 301 C LYS A 43 2.291 31.692 24.891 1.00 28.43 C ATOM 302 O LYS A 43 2.391 32.582 24.040 1.00 27.87 O ATOM 303 CB LYS A 43 4.567 32.357 25.762 1.00 30.99 C ATOM 304 CG LYS A 43 5.484 32.525 26.971 1.00 35.57 C ATOM 305 CD LYS A 43 6.786 33.222 26.596 1.00 39.90 C ATOM 306 CE LYS A 43 7.620 33.552 27.830 1.00 42.08 C ATOM 307 NZ LYS A 43 7.949 32.344 28.643 1.00 44.37 N ATOM 308 N THR A 44 1.350 30.753 24.851 1.00 27.21 N ATOM 309 CA THR A 44 0.350 30.688 23.789 1.00 27.92 C ATOM 310 C THR A 44 -0.595 31.887 23.829 1.00 29.54 C ATOM 311 O THR A 44 -1.133 32.224 24.882 1.00 28.71 O ATOM 312 CB THR A 44 -0.485 29.394 23.910 1.00 26.52 C ATOM 313 OG1 THR A 44 0.376 28.259 23.776 1.00 26.52 O ATOM 314 CG2 THR A 44 -1.565 29.335 22.841 1.00 27.74 C ATOM 315 N ASN A 45 -0.774 32.537 22.683 1.00 31.31 N ATOM 316 CA ASN A 45 -1.667 33.688 22.584 1.00 35.00 C ATOM 317 C ASN A 45 -2.812 33.402 21.612 1.00 36.19 C ATOM 318 O ASN A 45 -3.038 32.249 21.238 1.00 35.26 O ATOM 319 CB ASN A 45 -0.893 34.952 22.171 1.00 36.39 C ATOM 320 CG ASN A 45 -0.125 34.785 20.866 1.00 37.79 C ATOM 321 OD1 ASN A 45 -0.555 34.075 19.957 1.00 37.57 O ATOM 322 ND2 ASN A 45 1.014 35.461 20.766 1.00 40.19 N ATOM 323 N LYS A 46 -3.528 34.451 21.210 1.00 38.20 N ATOM 324 CA LYS A 46 -4.653 34.327 20.281 1.00 40.01 C ATOM 325 C LYS A 46 -4.264 33.624 18.978 1.00 40.17 C ATOM 326 O LYS A 46 -5.019 32.797 18.462 1.00 40.74 O ATOM 327 CB LYS A 46 -5.233 35.711 19.966 1.00 42.32 C ATOM 328 CG LYS A 46 -6.360 35.700 18.938 1.00 46.02 C ATOM 329 CD LYS A 46 -6.756 37.111 18.526 1.00 48.68 C ATOM 330 CE LYS A 46 -7.718 37.098 17.343 1.00 50.50 C ATOM 331 NZ LYS A 46 -9.004 36.409 17.653 1.00 52.16 N ATOM 332 N GLN A 47 -3.086 33.959 18.454 1.00 39.95 N ATOM 333 CA GLN A 47 -2.589 33.365 17.213 1.00 39.84 C ATOM 334 C GLN A 47 -2.136 31.912 17.377 1.00 38.87 C ATOM 335 O GLN A 47 -1.980 31.191 16.389 1.00 39.14 O ATOM 336 CB GLN A 47 -1.439 34.201 16.648 1.00 42.30 C ATOM 337 CG GLN A 47 -1.837 35.607 16.231 1.00 46.15 C ATOM 338 CD GLN A 47 -0.673 36.391 15.660 1.00 47.86 C ATOM 339 OE1 GLN A 47 -0.300 36.216 14.499 1.00 49.90 O ATOM 340 NE2 GLN A 47 -0.087 37.260 16.477 1.00 49.54 N ATOM 341 N GLY A 48 -1.911 31.492 18.621 1.00 35.85 N ATOM 342 CA GLY A 48 -1.484 30.128 18.873 1.00 32.62 C ATOM 343 C GLY A 48 -0.129 30.010 19.543 1.00 29.93 C ATOM 344 O GLY A 48 0.297 30.903 20.279 1.00 30.09 O ATOM 345 N THR A 49 0.544 28.890 19.299 1.00 27.44 N ATOM 346 CA THR A 49 1.853 28.636 19.887 1.00 26.17 C ATOM 347 C THR A 49 2.916 28.566 18.805 1.00 25.89 C ATOM 348 O THR A 49 2.689 28.000 17.735 1.00 27.60 O ATOM 349 CB THR A 49 1.876 27.294 20.652 1.00 26.07 C ATOM 350 OG1 THR A 49 0.676 27.158 21.419 1.00 26.17 O ATOM 351 CG2 THR A 49 3.078 27.227 21.589 1.00 24.50 C ATOM 352 N THR A 50 4.070 29.164 19.078 1.00 25.81 N ATOM 353 CA THR A 50 5.176 29.136 18.133 1.00 23.77 C ATOM 354 C THR A 50 5.976 27.879 18.448 1.00 23.44 C ATOM 355 O THR A 50 5.787 27.263 19.503 1.00 20.66 O ATOM 356 CB THR A 50 6.098 30.367 18.286 1.00 23.66 C ATOM 357 OG1 THR A 50 6.722 30.342 19.574 1.00 22.01 O ATOM 358 CG2 THR A 50 5.301 31.657 18.144 1.00 26.02 C ATOM 359 N ALA A 51 6.850 27.485 17.529 1.00 24.19 N ATOM 360 CA ALA A 51 7.683 26.304 17.729 1.00 23.87 C ATOM 361 C ALA A 51 8.581 26.533 18.942 1.00 24.96 C ATOM 362 O ALA A 51 8.853 25.608 19.711 1.00 23.11 O ATOM 363 CB ALA A 51 8.522 26.039 16.490 1.00 24.42 C ATOM 364 N LEU A 52 9.017 27.780 19.113 1.00 25.22 N ATOM 365 CA LEU A 52 9.875 28.165 20.232 1.00 27.26 C ATOM 366 C LEU A 52 9.116 27.978 21.546 1.00 25.81 C ATOM 367 O LEU A 52 9.678 27.506 22.535 1.00 25.33 O ATOM 368 CB LEU A 52 10.299 29.630 20.087 1.00 31.21 C ATOM 369 CG LEU A 52 11.790 29.976 20.174 1.00 34.85 C ATOM 370 CD1 LEU A 52 12.359 29.570 21.527 1.00 35.56 C ATOM 371 CD2 LEU A 52 12.542 29.293 19.043 1.00 37.27 C ATOM 372 N GLY A 53 7.836 28.350 21.538 1.00 24.60 N ATOM 373 CA GLY A 53 6.996 28.215 22.716 1.00 23.34 C ATOM 374 C GLY A 53 6.844 26.766 23.146 1.00 23.16 C ATOM 375 O GLY A 53 6.881 26.460 24.340 1.00 22.35 O ATOM 376 N ILE A 54 6.660 25.870 22.180 1.00 21.08 N ATOM 377 CA ILE A 54 6.527 24.446 22.480 1.00 20.79 C ATOM 378 C ILE A 54 7.828 23.934 23.106 1.00 22.03 C ATOM 379 O ILE A 54 7.813 23.254 24.139 1.00 21.22 O ATOM 380 CB ILE A 54 6.211 23.623 21.203 1.00 19.85 C ATOM 381 CG1 ILE A 54 4.797 23.931 20.709 1.00 19.61 C ATOM 382 CG2 ILE A 54 6.363 22.131 21.477 1.00 19.59 C ATOM 383 CD1 ILE A 54 4.422 23.194 19.435 1.00 18.18 C ATOM 384 N VAL A 55 8.949 24.297 22.490 1.00 22.59 N ATOM 385 CA VAL A 55 10.268 23.890 22.962 1.00 26.10 C ATOM 386 C VAL A 55 10.561 24.408 24.370 1.00 26.57 C ATOM 387 O VAL A 55 11.018 23.652 25.230 1.00 27.31 O ATOM 388 CB VAL A 55 11.375 24.357 21.986 1.00 26.30 C ATOM 389 CG1 VAL A 55 12.755 24.128 22.586 1.00 28.54 C ATOM 390 CG2 VAL A 55 11.254 23.607 20.668 1.00 28.47 C ATOM 391 N GLU A 56 10.282 25.689 24.604 1.00 28.56 N ATOM 392 CA GLU A 56 10.513 26.302 25.911 1.00 30.09 C ATOM 393 C GLU A 56 9.700 25.615 26.999 1.00 29.76 C ATOM 394 O GLU A 56 10.215 25.334 28.084 1.00 29.11 O ATOM 395 CB GLU A 56 10.173 27.795 25.881 1.00 33.53 C ATOM 396 CG GLU A 56 11.120 28.633 25.034 1.00 39.87 C ATOM 397 CD GLU A 56 10.779 30.115 25.050 1.00 43.98 C ATOM 398 OE1 GLU A 56 9.579 30.465 24.973 1.00 46.27 O ATOM 399 OE2 GLU A 56 11.720 30.933 25.134 1.00 46.11 O ATOM 400 N ALA A 57 8.434 25.337 26.700 1.00 27.50 N ATOM 401 CA ALA A 57 7.549 24.675 27.651 1.00 26.99 C ATOM 402 C ALA A 57 8.053 23.270 27.964 1.00 26.41 C ATOM 403 O ALA A 57 8.133 22.880 29.129 1.00 25.69 O ATOM 404 CB ALA A 57 6.130 24.626 27.107 1.00 24.53 C ATOM 405 N ALA A 58 8.424 22.528 26.922 1.00 26.81 N ATOM 406 CA ALA A 58 8.929 21.168 27.080 1.00 27.49 C ATOM 407 C ALA A 58 10.167 21.129 27.980 1.00 29.06 C ATOM 408 O ALA A 58 10.309 20.225 28.805 1.00 27.83 O ATOM 409 CB ALA A 58 9.247 20.565 25.721 1.00 27.72 C ATOM 410 N LYS A 59 11.054 22.110 27.814 1.00 30.63 N ATOM 411 CA LYS A 59 12.276 22.196 28.615 1.00 34.75 C ATOM 412 C LYS A 59 11.956 22.478 30.082 1.00 35.94 C ATOM 413 O LYS A 59 12.630 21.971 30.980 1.00 37.72 O ATOM 414 CB LYS A 59 13.216 23.272 28.062 1.00 36.01 C ATOM 415 CG LYS A 59 13.918 22.888 26.765 1.00 39.22 C ATOM 416 CD LYS A 59 14.897 23.969 26.326 1.00 41.87 C ATOM 417 CE LYS A 59 15.641 23.579 25.053 1.00 43.86 C ATOM 418 NZ LYS A 59 16.515 22.379 25.232 1.00 46.15 N ATOM 419 N LYS A 60 10.928 23.289 30.319 1.00 37.91 N ATOM 420 CA LYS A 60 10.500 23.617 31.676 1.00 38.32 C ATOM 421 C LYS A 60 9.879 22.380 32.322 1.00 37.79 C ATOM 422 O LYS A 60 9.832 22.267 33.546 1.00 39.63 O ATOM 423 CB LYS A 60 9.474 24.755 31.666 1.00 39.63 C ATOM 424 CG LYS A 60 10.003 26.101 31.195 1.00 41.22 C ATOM 425 CD LYS A 60 8.872 27.117 31.140 1.00 43.83 C ATOM 426 CE LYS A 60 9.332 28.460 30.597 1.00 45.79 C ATOM 427 NZ LYS A 60 8.185 29.409 30.455 1.00 47.54 N ATOM 428 N LEU A 61 9.388 21.464 31.490 1.00 36.31 N ATOM 429 CA LEU A 61 8.778 20.231 31.972 1.00 35.52 C ATOM 430 C LEU A 61 9.827 19.156 32.251 1.00 35.72 C ATOM 431 O LEU A 61 9.492 18.058 32.692 1.00 36.61 O ATOM 432 CB LEU A 61 7.763 19.700 30.961 1.00 34.72 C ATOM 433 CG LEU A 61 6.529 20.544 30.638 1.00 34.04 C ATOM 434 CD1 LEU A 61 5.704 19.831 29.580 1.00 33.13 C ATOM 435 CD2 LEU A 61 5.701 20.782 31.892 1.00 32.75 C ATOM 436 N GLY A 62 11.089 19.475 31.976 1.00 36.08 N ATOM 437 CA GLY A 62 12.168 18.529 32.207 1.00 35.71 C ATOM 438 C GLY A 62 12.449 17.601 31.039 1.00 35.63 C ATOM 439 O GLY A 62 12.959 16.498 31.227 1.00 35.14 O ATOM 440 N PHE A 63 12.103 18.035 29.830 1.00 34.79 N ATOM 441 CA PHE A 63 12.339 17.228 28.638 1.00 34.24 C ATOM 442 C PHE A 63 13.518 17.757 27.840 1.00 33.53 C ATOM 443 O PHE A 63 13.735 18.966 27.760 1.00 34.61 O ATOM 444 CB PHE A 63 11.106 17.221 27.723 1.00 34.45 C ATOM 445 CG PHE A 63 9.980 16.363 28.215 1.00 34.53 C ATOM 446 CD1 PHE A 63 9.975 14.995 27.971 1.00 34.48 C ATOM 447 CD2 PHE A 63 8.916 16.923 28.911 1.00 34.79 C ATOM 448 CE1 PHE A 63 8.924 14.196 28.413 1.00 36.28 C ATOM 449 CE2 PHE A 63 7.862 16.134 29.357 1.00 34.74 C ATOM 450 CZ PHE A 63 7.865 14.768 29.108 1.00 35.18 C ATOM 451 N GLU A 64 14.303 16.840 27.287 1.00 33.53 N ATOM 452 CA GLU A 64 15.428 17.205 26.440 1.00 34.47 C ATOM 453 C GLU A 64 14.756 17.406 25.081 1.00 32.37 C ATOM 454 O GLU A 64 14.013 16.538 24.623 1.00 33.03 O ATOM 455 CB GLU A 64 16.440 16.062 26.371 1.00 36.67 C ATOM 456 CG GLU A 64 17.685 16.392 25.567 1.00 43.38 C ATOM 457 CD GLU A 64 18.702 15.267 25.573 1.00 46.44 C ATOM 458 OE1 GLU A 64 18.878 14.616 24.519 1.00 48.51 O ATOM 459 OE2 GLU A 64 19.328 15.037 26.630 1.00 48.71 O ATOM 460 N THR A 65 14.985 18.555 24.457 1.00 30.61 N ATOM 461 CA THR A 65 14.337 18.847 23.183 1.00 29.61 C ATOM 462 C THR A 65 15.289 19.197 22.053 1.00 28.17 C ATOM 463 O THR A 65 16.399 19.673 22.280 1.00 28.87 O ATOM 464 CB THR A 65 13.365 20.041 23.322 1.00 31.25 C ATOM 465 OG1 THR A 65 14.117 21.259 23.416 1.00 34.13 O ATOM 466 CG2 THR A 65 12.512 19.901 24.569 1.00 30.32 C ATOM 467 N ARG A 66 14.825 18.964 20.830 1.00 24.83 N ATOM 468 CA ARG A 66 15.580 19.304 19.633 1.00 22.91 C ATOM 469 C ARG A 66 14.597 19.571 18.501 1.00 21.19 C ATOM 470 O ARG A 66 13.574 18.892 18.382 1.00 20.12 O ATOM 471 CB ARG A 66 16.590 18.212 19.252 1.00 22.82 C ATOM 472 CG ARG A 66 16.019 16.914 18.714 1.00 26.15 C ATOM 473 CD ARG A 66 17.159 15.942 18.406 1.00 26.76 C ATOM 474 NE ARG A 66 16.699 14.712 17.767 1.00 27.07 N ATOM 475 CZ ARG A 66 16.301 13.624 18.419 1.00 27.07 C ATOM 476 NH1 ARG A 66 16.304 13.595 19.747 1.00 28.27 N ATOM 477 NH2 ARG A 66 15.877 12.568 17.738 1.00 28.28 N ATOM 478 N SER A 67 14.871 20.627 17.739 1.00 20.11 N ATOM 479 CA SER A 67 14.039 21.020 16.609 1.00 20.08 C ATOM 480 C SER A 67 14.885 20.890 15.351 1.00 19.25 C ATOM 481 O SER A 67 15.992 21.426 15.276 1.00 18.52 O ATOM 482 CB SER A 67 13.561 22.463 16.774 1.00 21.04 C ATOM 483 OG SER A 67 12.812 22.601 17.966 1.00 27.89 O ATOM 484 N ILE A 68 14.372 20.158 14.372 1.00 16.47 N ATOM 485 CA ILE A 68 15.106 19.941 13.136 1.00 17.46 C ATOM 486 C ILE A 68 14.239 20.191 11.915 1.00 17.55 C ATOM 487 O ILE A 68 13.008 20.215 12.005 1.00 14.56 O ATOM 488 CB ILE A 68 15.626 18.484 13.044 1.00 18.75 C ATOM 489 CG1 ILE A 68 14.449 17.508 13.098 1.00 21.94 C ATOM 490 CG2 ILE A 68 16.606 18.193 14.182 1.00 21.47 C ATOM 491 CD1 ILE A 68 14.685 16.209 12.366 1.00 25.62 C ATOM 492 N LYS A 69 14.898 20.427 10.785 1.00 15.48 N ATOM 493 CA LYS A 69 14.210 20.620 9.517 1.00 17.08 C ATOM 494 C LYS A 69 14.490 19.326 8.772 1.00 17.25 C ATOM 495 O LYS A 69 15.646 18.988 8.507 1.00 18.41 O ATOM 496 CB LYS A 69 14.773 21.819 8.753 1.00 21.75 C ATOM 497 CG LYS A 69 14.519 23.160 9.432 1.00 25.95 C ATOM 498 CD LYS A 69 13.027 23.457 9.586 1.00 29.16 C ATOM 499 CE LYS A 69 12.329 23.591 8.237 1.00 31.72 C ATOM 500 NZ LYS A 69 10.893 23.966 8.386 1.00 29.70 N ATOM 501 N ALA A 70 13.434 18.580 8.480 1.00 14.93 N ATOM 502 CA ALA A 70 13.576 17.294 7.817 1.00 16.69 C ATOM 503 C ALA A 70 12.735 17.181 6.559 1.00 16.08 C ATOM 504 O ALA A 70 12.112 18.144 6.126 1.00 15.89 O ATOM 505 CB ALA A 70 13.208 16.183 8.795 1.00 15.42 C ATOM 506 N ASP A 71 12.771 16.001 5.949 1.00 18.58 N ATOM 507 CA ASP A 71 11.990 15.721 4.752 1.00 18.95 C ATOM 508 C ASP A 71 11.368 14.333 4.922 1.00 16.58 C ATOM 509 O ASP A 71 11.593 13.671 5.935 1.00 15.29 O ATOM 510 CB ASP A 71 12.858 15.811 3.489 1.00 24.59 C ATOM 511 CG ASP A 71 14.089 14.928 3.555 1.00 28.93 C ATOM 512 OD1 ASP A 71 13.932 13.705 3.717 1.00 29.21 O ATOM 513 OD2 ASP A 71 15.215 15.458 3.451 1.00 31.16 O ATOM 514 N MET A 72 10.631 13.868 3.922 1.00 15.80 N ATOM 515 CA MET A 72 9.965 12.572 4.033 1.00 16.97 C ATOM 516 C MET A 72 10.830 11.316 4.182 1.00 16.96 C ATOM 517 O MET A 72 10.327 10.279 4.611 1.00 15.72 O ATOM 518 CB MET A 72 8.931 12.402 2.919 1.00 15.65 C ATOM 519 CG MET A 72 7.781 13.410 2.991 1.00 18.86 C ATOM 520 SD MET A 72 6.800 13.334 4.522 1.00 17.78 S ATOM 521 CE MET A 72 5.890 11.812 4.264 1.00 18.56 C ATOM 522 N THR A 73 12.128 11.404 3.885 1.00 18.18 N ATOM 523 CA THR A 73 13.007 10.238 4.030 1.00 17.37 C ATOM 524 C THR A 73 13.144 9.888 5.508 1.00 17.39 C ATOM 525 O THR A 73 13.568 8.792 5.868 1.00 15.73 O ATOM 526 CB THR A 73 14.421 10.483 3.454 1.00 20.15 C ATOM 527 OG1 THR A 73 15.102 11.458 4.251 1.00 20.36 O ATOM 528 CG2 THR A 73 14.344 10.950 2.012 1.00 20.62 C ATOM 529 N LEU A 74 12.774 10.837 6.365 1.00 17.89 N ATOM 530 CA LEU A 74 12.820 10.643 7.805 1.00 16.97 C ATOM 531 C LEU A 74 12.058 9.376 8.188 1.00 16.52 C ATOM 532 O LEU A 74 12.510 8.594 9.021 1.00 16.07 O ATOM 533 CB LEU A 74 12.182 11.852 8.499 1.00 17.84 C ATOM 534 CG LEU A 74 12.143 11.862 10.023 1.00 18.20 C ATOM 535 CD1 LEU A 74 13.567 11.960 10.574 1.00 15.71 C ATOM 536 CD2 LEU A 74 11.290 13.030 10.505 1.00 16.75 C ATOM 537 N PHE A 75 10.935 9.141 7.515 1.00 17.09 N ATOM 538 CA PHE A 75 10.098 7.986 7.806 1.00 17.89 C ATOM 539 C PHE A 75 10.614 6.638 7.307 1.00 20.08 C ATOM 540 O PHE A 75 10.059 5.588 7.649 1.00 19.97 O ATOM 541 CB PHE A 75 8.661 8.269 7.351 1.00 18.92 C ATOM 542 CG PHE A 75 8.093 9.520 7.956 1.00 16.71 C ATOM 543 CD1 PHE A 75 7.741 9.553 9.306 1.00 18.50 C ATOM 544 CD2 PHE A 75 7.983 10.687 7.207 1.00 15.13 C ATOM 545 CE1 PHE A 75 7.297 10.731 9.900 1.00 16.79 C ATOM 546 CE2 PHE A 75 7.540 11.872 7.792 1.00 16.23 C ATOM 547 CZ PHE A 75 7.197 11.894 9.146 1.00 17.45 C ATOM 548 N ASP A 76 11.708 6.667 6.549 1.00 19.62 N ATOM 549 CA ASP A 76 12.329 5.450 6.034 1.00 20.76 C ATOM 550 C ASP A 76 13.499 5.015 6.916 1.00 20.77 C ATOM 551 O ASP A 76 14.156 4.015 6.636 1.00 20.93 O ATOM 552 CB ASP A 76 12.812 5.654 4.594 1.00 22.83 C ATOM 553 CG ASP A 76 11.677 5.917 3.630 1.00 24.82 C ATOM 554 OD1 ASP A 76 10.563 5.410 3.865 1.00 25.94 O ATOM 555 OD2 ASP A 76 11.899 6.630 2.630 1.00 26.67 O ATOM 556 N TYR A 77 13.772 5.796 7.959 1.00 19.47 N ATOM 557 CA TYR A 77 14.846 5.508 8.906 1.00 20.33 C ATOM 558 C TYR A 77 14.257 4.617 10.007 1.00 21.66 C ATOM 559 O TYR A 77 13.480 5.075 10.845 1.00 18.15 O ATOM 560 CB TYR A 77 15.379 6.828 9.470 1.00 21.11 C ATOM 561 CG TYR A 77 16.472 6.707 10.506 1.00 21.63 C ATOM 562 CD1 TYR A 77 17.708 6.134 10.195 1.00 20.51 C ATOM 563 CD2 TYR A 77 16.282 7.209 11.793 1.00 21.11 C ATOM 564 CE1 TYR A 77 18.730 6.071 11.145 1.00 22.88 C ATOM 565 CE2 TYR A 77 17.292 7.151 12.746 1.00 21.43 C ATOM 566 CZ TYR A 77 18.511 6.586 12.419 1.00 24.07 C ATOM 567 OH TYR A 77 19.510 6.564 13.364 1.00 23.60 O ATOM 568 N ASN A 78 14.630 3.340 9.988 1.00 22.43 N ATOM 569 CA ASN A 78 14.105 2.357 10.939 1.00 25.62 C ATOM 570 C ASN A 78 14.370 2.585 12.426 1.00 25.92 C ATOM 571 O ASN A 78 13.669 2.022 13.269 1.00 28.10 O ATOM 572 CB ASN A 78 14.525 0.943 10.524 1.00 28.00 C ATOM 573 CG ASN A 78 13.959 0.540 9.167 1.00 30.75 C ATOM 574 OD1 ASN A 78 12.937 1.068 8.724 1.00 34.41 O ATOM 575 ND2 ASN A 78 14.623 -0.397 8.501 1.00 33.27 N ATOM 576 N ASP A 79 15.367 3.402 12.752 1.00 25.34 N ATOM 577 CA ASP A 79 15.679 3.697 14.150 1.00 25.44 C ATOM 578 C ASP A 79 14.986 4.974 14.645 1.00 24.66 C ATOM 579 O ASP A 79 15.283 5.465 15.734 1.00 24.12 O ATOM 580 CB ASP A 79 17.191 3.822 14.354 1.00 27.38 C ATOM 581 CG ASP A 79 17.911 2.476 14.336 1.00 31.26 C ATOM 582 OD1 ASP A 79 17.246 1.415 14.332 1.00 32.17 O ATOM 583 OD2 ASP A 79 19.160 2.490 14.333 1.00 32.34 O ATOM 584 N LEU A 80 14.059 5.504 13.848 1.00 22.55 N ATOM 585 CA LEU A 80 13.336 6.721 14.212 1.00 20.75 C ATOM 586 C LEU A 80 12.542 6.521 15.505 1.00 21.69 C ATOM 587 O LEU A 80 11.879 5.500 15.682 1.00 21.59 O ATOM 588 CB LEU A 80 12.393 7.138 13.079 1.00 19.24 C ATOM 589 CG LEU A 80 11.645 8.464 13.239 1.00 19.79 C ATOM 590 CD1 LEU A 80 12.632 9.604 13.414 1.00 18.26 C ATOM 591 CD2 LEU A 80 10.765 8.705 12.024 1.00 20.91 C ATOM 592 N THR A 81 12.651 7.477 16.420 1.00 21.21 N ATOM 593 CA THR A 81 11.937 7.387 17.687 1.00 24.21 C ATOM 594 C THR A 81 10.629 8.156 17.651 1.00 22.58 C ATOM 595 O THR A 81 10.609 9.357 17.377 1.00 24.22 O ATOM 596 CB THR A 81 12.780 7.913 18.866 1.00 26.97 C ATOM 597 OG1 THR A 81 13.135 9.282 18.632 1.00 32.60 O ATOM 598 CG2 THR A 81 14.039 7.076 19.041 1.00 29.44 C ATOM 599 N TYR A 82 9.540 7.439 17.900 1.00 20.50 N ATOM 600 CA TYR A 82 8.204 8.017 17.939 1.00 19.88 C ATOM 601 C TYR A 82 7.794 8.065 19.408 1.00 19.77 C ATOM 602 O TYR A 82 8.292 7.285 20.220 1.00 19.28 O ATOM 603 CB TYR A 82 7.218 7.137 17.170 1.00 19.90 C ATOM 604 CG TYR A 82 7.465 7.040 15.684 1.00 20.19 C ATOM 605 CD1 TYR A 82 6.994 8.024 14.813 1.00 21.74 C ATOM 606 CD2 TYR A 82 8.130 5.942 15.139 1.00 22.35 C ATOM 607 CE1 TYR A 82 7.174 7.913 13.434 1.00 20.61 C ATOM 608 CE2 TYR A 82 8.317 5.822 13.762 1.00 21.37 C ATOM 609 CZ TYR A 82 7.836 6.807 12.919 1.00 21.86 C ATOM 610 OH TYR A 82 8.003 6.681 11.561 1.00 22.37 O ATOM 611 N PRO A 83 6.890 8.986 19.774 1.00 18.53 N ATOM 612 CA PRO A 83 6.250 9.964 18.892 1.00 16.93 C ATOM 613 C PRO A 83 7.005 11.289 18.891 1.00 15.54 C ATOM 614 O PRO A 83 7.915 11.497 19.697 1.00 16.42 O ATOM 615 CB PRO A 83 4.882 10.130 19.546 1.00 16.82 C ATOM 616 CG PRO A 83 5.248 10.134 21.010 1.00 19.41 C ATOM 617 CD PRO A 83 6.272 9.007 21.117 1.00 18.51 C ATOM 618 N PHE A 84 6.672 12.155 17.940 1.00 14.01 N ATOM 619 CA PHE A 84 7.275 13.481 17.882 1.00 12.49 C ATOM 620 C PHE A 84 6.273 14.484 17.322 1.00 12.69 C ATOM 621 O PHE A 84 5.188 14.106 16.873 1.00 14.14 O ATOM 622 CB PHE A 84 8.615 13.492 17.129 1.00 13.59 C ATOM 623 CG PHE A 84 8.537 13.016 15.712 1.00 13.28 C ATOM 624 CD1 PHE A 84 8.384 13.924 14.667 1.00 12.98 C ATOM 625 CD2 PHE A 84 8.661 11.662 15.413 1.00 15.54 C ATOM 626 CE1 PHE A 84 8.358 13.490 13.348 1.00 15.88 C ATOM 627 CE2 PHE A 84 8.637 11.217 14.097 1.00 14.18 C ATOM 628 CZ PHE A 84 8.485 12.131 13.062 1.00 14.27 C ATOM 629 N ILE A 85 6.623 15.762 17.382 1.00 10.89 N ATOM 630 CA ILE A 85 5.739 16.830 16.928 1.00 11.36 C ATOM 631 C ILE A 85 6.163 17.421 15.589 1.00 10.46 C ATOM 632 O ILE A 85 7.351 17.550 15.321 1.00 11.47 O ATOM 633 CB ILE A 85 5.703 17.948 17.992 1.00 11.78 C ATOM 634 CG1 ILE A 85 5.151 17.386 19.308 1.00 14.63 C ATOM 635 CG2 ILE A 85 4.877 19.142 17.512 1.00 11.16 C ATOM 636 CD1 ILE A 85 5.397 18.274 20.513 1.00 17.40 C ATOM 637 N VAL A 86 5.186 17.746 14.742 1.00 10.47 N ATOM 638 CA VAL A 86 5.467 18.364 13.445 1.00 10.23 C ATOM 639 C VAL A 86 4.582 19.579 13.215 1.00 11.67 C ATOM 640 O VAL A 86 3.453 19.645 13.712 1.00 11.26 O ATOM 641 CB VAL A 86 5.284 17.383 12.247 1.00 10.26 C ATOM 642 CG1 VAL A 86 6.346 16.293 12.290 1.00 8.60 C ATOM 643 CG2 VAL A 86 3.881 16.776 12.243 1.00 12.01 C ATOM 644 N HIS A 87 5.108 20.541 12.463 1.00 10.22 N ATOM 645 CA HIS A 87 4.382 21.763 12.135 1.00 12.18 C ATOM 646 C HIS A 87 3.750 21.568 10.760 1.00 11.42 C ATOM 647 O HIS A 87 4.445 21.264 9.781 1.00 10.65 O ATOM 648 CB HIS A 87 5.355 22.952 12.113 1.00 12.92 C ATOM 649 CG HIS A 87 4.699 24.280 11.884 1.00 16.66 C ATOM 650 ND1 HIS A 87 5.387 25.372 11.398 1.00 16.86 N ATOM 651 CD2 HIS A 87 3.423 24.694 12.072 1.00 17.76 C ATOM 652 CE1 HIS A 87 4.563 26.400 11.296 1.00 17.77 C ATOM 653 NE2 HIS A 87 3.366 26.015 11.698 1.00 17.95 N ATOM 654 N VAL A 88 2.430 21.710 10.691 1.00 12.27 N ATOM 655 CA VAL A 88 1.713 21.538 9.428 1.00 13.20 C ATOM 656 C VAL A 88 0.843 22.745 9.128 1.00 15.97 C ATOM 657 O VAL A 88 0.225 23.312 10.033 1.00 17.50 O ATOM 658 CB VAL A 88 0.825 20.268 9.433 1.00 13.87 C ATOM 659 CG1 VAL A 88 1.691 19.018 9.510 1.00 13.74 C ATOM 660 CG2 VAL A 88 -0.155 20.304 10.614 1.00 16.63 C ATOM 661 N ILE A 89 0.829 23.161 7.864 1.00 14.86 N ATOM 662 CA ILE A 89 0.019 24.302 7.449 1.00 19.66 C ATOM 663 C ILE A 89 -1.314 23.761 6.936 1.00 22.46 C ATOM 664 O ILE A 89 -1.349 22.952 6.013 1.00 22.32 O ATOM 665 CB ILE A 89 0.699 25.111 6.309 1.00 20.08 C ATOM 666 CG1 ILE A 89 2.132 25.483 6.695 1.00 17.67 C ATOM 667 CG2 ILE A 89 -0.117 26.366 5.989 1.00 20.69 C ATOM 668 CD1 ILE A 89 2.249 26.424 7.887 1.00 17.82 C ATOM 669 N LYS A 90 -2.405 24.168 7.572 1.00 27.72 N ATOM 670 CA LYS A 90 -3.727 23.714 7.157 1.00 31.85 C ATOM 671 C LYS A 90 -4.589 24.922 6.842 1.00 34.29 C ATOM 672 O LYS A 90 -5.093 25.591 7.746 1.00 34.76 O ATOM 673 CB LYS A 90 -4.371 22.860 8.250 1.00 32.60 C ATOM 674 CG LYS A 90 -3.603 21.588 8.564 1.00 33.12 C ATOM 675 CD LYS A 90 -4.388 20.676 9.486 1.00 35.50 C ATOM 676 CE LYS A 90 -5.663 20.180 8.828 1.00 36.22 C ATOM 677 NZ LYS A 90 -5.398 19.402 7.589 1.00 38.94 N ATOM 678 N GLY A 91 -4.755 25.196 5.551 1.00 36.75 N ATOM 679 CA GLY A 91 -5.533 26.348 5.136 1.00 38.31 C ATOM 680 C GLY A 91 -4.808 27.589 5.616 1.00 39.50 C ATOM 681 O GLY A 91 -3.597 27.713 5.421 1.00 40.02 O ATOM 682 N LYS A 92 -5.529 28.485 6.283 1.00 39.13 N ATOM 683 CA LYS A 92 -4.925 29.707 6.798 1.00 40.28 C ATOM 684 C LYS A 92 -4.324 29.510 8.191 1.00 39.39 C ATOM 685 O LYS A 92 -3.789 30.450 8.779 1.00 40.93 O ATOM 686 CB LYS A 92 -5.940 30.855 6.799 1.00 42.32 C ATOM 687 CG LYS A 92 -6.517 31.160 5.419 1.00 45.20 C ATOM 688 CD LYS A 92 -7.166 32.537 5.351 1.00 48.04 C ATOM 689 CE LYS A 92 -6.125 33.648 5.436 1.00 49.55 C ATOM 690 NZ LYS A 92 -6.725 35.001 5.247 1.00 50.63 N ATOM 691 N ARG A 93 -4.418 28.288 8.712 1.00 37.46 N ATOM 692 CA ARG A 93 -3.870 27.965 10.028 1.00 35.82 C ATOM 693 C ARG A 93 -2.354 27.808 9.935 1.00 32.33 C ATOM 694 O ARG A 93 -1.847 26.781 9.483 1.00 29.45 O ATOM 695 CB ARG A 93 -4.520 26.694 10.592 1.00 36.20 C ATOM 696 CG ARG A 93 -5.936 26.911 11.118 1.00 39.50 C ATOM 697 CD ARG A 93 -6.575 25.615 11.599 1.00 41.28 C ATOM 698 NE ARG A 93 -6.985 24.758 10.488 1.00 42.91 N ATOM 699 CZ ARG A 93 -7.396 23.499 10.617 1.00 44.45 C ATOM 700 NH1 ARG A 93 -7.455 22.927 11.814 1.00 43.46 N ATOM 701 NH2 ARG A 93 -7.759 22.810 9.542 1.00 44.50 N ATOM 702 N LEU A 94 -1.644 28.855 10.344 1.00 31.82 N ATOM 703 CA LEU A 94 -0.185 28.885 10.303 1.00 30.05 C ATOM 704 C LEU A 94 0.505 28.346 11.554 1.00 29.01 C ATOM 705 O LEU A 94 1.733 28.268 11.596 1.00 28.18 O ATOM 706 CB LEU A 94 0.299 30.311 10.023 1.00 31.26 C ATOM 707 CG LEU A 94 -0.001 30.879 8.634 1.00 32.29 C ATOM 708 CD1 LEU A 94 0.308 32.367 8.602 1.00 32.68 C ATOM 709 CD2 LEU A 94 0.809 30.137 7.578 1.00 32.52 C ATOM 710 N GLN A 95 -0.280 27.967 12.562 1.00 26.86 N ATOM 711 CA GLN A 95 0.264 27.434 13.808 1.00 25.83 C ATOM 712 C GLN A 95 -0.444 26.153 14.255 1.00 23.12 C ATOM 713 O GLN A 95 -0.912 26.040 15.391 1.00 23.96 O ATOM 714 CB GLN A 95 0.209 28.489 14.923 1.00 30.34 C ATOM 715 CG GLN A 95 1.056 29.733 14.666 1.00 34.84 C ATOM 716 CD GLN A 95 2.553 29.481 14.776 1.00 38.81 C ATOM 717 OE1 GLN A 95 3.023 28.343 14.670 1.00 41.73 O ATOM 718 NE2 GLN A 95 3.311 30.549 14.999 1.00 39.49 N ATOM 719 N HIS A 96 -0.540 25.193 13.344 1.00 18.16 N ATOM 720 CA HIS A 96 -1.166 23.917 13.656 1.00 16.18 C ATOM 721 C HIS A 96 -0.065 22.863 13.721 1.00 14.61 C ATOM 722 O HIS A 96 0.934 22.959 13.007 1.00 13.59 O ATOM 723 CB HIS A 96 -2.205 23.534 12.598 1.00 16.12 C ATOM 724 CG HIS A 96 -3.199 22.526 13.082 1.00 18.69 C ATOM 725 ND1 HIS A 96 -4.286 22.870 13.859 1.00 18.84 N ATOM 726 CD2 HIS A 96 -3.250 21.181 12.939 1.00 16.83 C ATOM 727 CE1 HIS A 96 -4.961 21.780 14.176 1.00 18.22 C ATOM 728 NE2 HIS A 96 -4.354 20.742 13.630 1.00 18.37 N ATOM 729 N TYR A 97 -0.239 21.870 14.590 1.00 13.60 N ATOM 730 CA TYR A 97 0.754 20.812 14.749 1.00 12.26 C ATOM 731 C TYR A 97 0.074 19.462 14.881 1.00 13.48 C ATOM 732 O TYR A 97 -1.091 19.384 15.264 1.00 13.50 O ATOM 733 CB TYR A 97 1.585 21.031 16.027 1.00 13.15 C ATOM 734 CG TYR A 97 2.321 22.350 16.095 1.00 16.35 C ATOM 735 CD1 TYR A 97 3.653 22.447 15.703 1.00 17.94 C ATOM 736 CD2 TYR A 97 1.677 23.506 16.542 1.00 19.13 C ATOM 737 CE1 TYR A 97 4.328 23.666 15.746 1.00 20.87 C ATOM 738 CE2 TYR A 97 2.339 24.723 16.590 1.00 18.78 C ATOM 739 CZ TYR A 97 3.660 24.798 16.190 1.00 21.88 C ATOM 740 OH TYR A 97 4.310 26.009 16.225 1.00 26.15 O ATOM 741 N TYR A 98 0.821 18.406 14.577 1.00 11.66 N ATOM 742 CA TYR A 98 0.337 17.034 14.720 1.00 11.16 C ATOM 743 C TYR A 98 1.360 16.297 15.559 1.00 12.49 C ATOM 744 O TYR A 98 2.512 16.726 15.692 1.00 11.64 O ATOM 745 CB TYR A 98 0.343 16.261 13.395 1.00 11.98 C ATOM 746 CG TYR A 98 -0.621 16.659 12.308 1.00 11.18 C ATOM 747 CD1 TYR A 98 -1.783 17.376 12.580 1.00 11.87 C ATOM 748 CD2 TYR A 98 -0.374 16.273 10.989 1.00 11.26 C ATOM 749 CE1 TYR A 98 -2.680 17.697 11.560 1.00 11.55 C ATOM 750 CE2 TYR A 98 -1.256 16.587 9.967 1.00 11.94 C ATOM 751 CZ TYR A 98 -2.405 17.295 10.254 1.00 14.58 C ATOM 752 OH TYR A 98 -3.271 17.592 9.230 1.00 15.15 O ATOM 753 N VAL A 99 0.927 15.176 16.117 1.00 13.26 N ATOM 754 CA VAL A 99 1.825 14.290 16.829 1.00 13.15 C ATOM 755 C VAL A 99 1.985 13.171 15.794 1.00 14.18 C ATOM 756 O VAL A 99 1.028 12.850 15.084 1.00 12.25 O ATOM 757 CB VAL A 99 1.181 13.689 18.096 1.00 13.89 C ATOM 758 CG1 VAL A 99 2.115 12.653 18.704 1.00 14.18 C ATOM 759 CG2 VAL A 99 0.880 14.788 19.114 1.00 12.06 C ATOM 760 N VAL A 100 3.200 12.659 15.614 1.00 12.15 N ATOM 761 CA VAL A 100 3.399 11.563 14.674 1.00 12.86 C ATOM 762 C VAL A 100 3.725 10.332 15.514 1.00 12.90 C ATOM 763 O VAL A 100 4.696 10.327 16.269 1.00 12.86 O ATOM 764 CB VAL A 100 4.525 11.850 13.645 1.00 13.37 C ATOM 765 CG1 VAL A 100 4.675 10.664 12.696 1.00 15.12 C ATOM 766 CG2 VAL A 100 4.187 13.094 12.843 1.00 13.58 C ATOM 767 N TYR A 101 2.881 9.311 15.401 1.00 14.91 N ATOM 768 CA TYR A 101 3.027 8.080 16.178 1.00 16.39 C ATOM 769 C TYR A 101 3.753 6.948 15.474 1.00 18.62 C ATOM 770 O TYR A 101 4.327 6.077 16.127 1.00 19.04 O ATOM 771 CB TYR A 101 1.652 7.575 16.605 1.00 18.28 C ATOM 772 CG TYR A 101 0.871 8.557 17.435 1.00 19.14 C ATOM 773 CD1 TYR A 101 1.190 8.779 18.774 1.00 19.18 C ATOM 774 CD2 TYR A 101 -0.191 9.265 16.880 1.00 20.55 C ATOM 775 CE1 TYR A 101 0.466 9.688 19.540 1.00 19.20 C ATOM 776 CE2 TYR A 101 -0.916 10.171 17.631 1.00 20.80 C ATOM 777 CZ TYR A 101 -0.586 10.380 18.955 1.00 19.06 C ATOM 778 OH TYR A 101 -1.303 11.298 19.681 1.00 22.97 O ATOM 779 N GLY A 102 3.689 6.933 14.149 1.00 18.77 N ATOM 780 CA GLY A 102 4.351 5.878 13.409 1.00 23.64 C ATOM 781 C GLY A 102 4.047 5.927 11.933 1.00 27.03 C ATOM 782 O GLY A 102 3.460 6.889 11.435 1.00 23.17 O ATOM 783 N SER A 103 4.475 4.886 11.227 1.00 31.78 N ATOM 784 CA SER A 103 4.251 4.783 9.795 1.00 37.68 C ATOM 785 C SER A 103 3.970 3.336 9.422 1.00 41.17 C ATOM 786 O SER A 103 4.568 2.413 9.980 1.00 42.43 O ATOM 787 CB SER A 103 5.473 5.285 9.023 1.00 37.97 C ATOM 788 OG SER A 103 6.616 4.493 9.295 1.00 42.56 O ATOM 789 N GLN A 104 3.035 3.145 8.500 1.00 44.74 N ATOM 790 CA GLN A 104 2.676 1.815 8.029 1.00 48.67 C ATOM 791 C GLN A 104 2.262 1.917 6.568 1.00 49.51 C ATOM 792 O GLN A 104 1.274 2.580 6.239 1.00 49.87 O ATOM 793 CB GLN A 104 1.540 1.218 8.866 1.00 51.09 C ATOM 794 CG GLN A 104 1.319 -0.271 8.614 1.00 54.85 C ATOM 795 CD GLN A 104 0.247 -0.875 9.506 1.00 57.71 C ATOM 796 OE1 GLN A 104 -0.664 -1.554 9.026 1.00 58.77 O ATOM 797 NE2 GLN A 104 0.354 -0.637 10.810 1.00 57.77 N ATOM 798 N ASN A 105 3.047 1.275 5.703 1.00 49.51 N ATOM 799 CA ASN A 105 2.822 1.262 4.258 1.00 48.85 C ATOM 800 C ASN A 105 3.138 2.635 3.662 1.00 46.63 C ATOM 801 O ASN A 105 4.239 3.161 3.845 1.00 47.26 O ATOM 802 CB ASN A 105 1.378 0.844 3.932 1.00 51.44 C ATOM 803 CG ASN A 105 0.997 -0.485 4.560 1.00 54.18 C ATOM 804 OD1 ASN A 105 0.092 -0.553 5.394 1.00 55.89 O ATOM 805 ND2 ASN A 105 1.691 -1.549 4.166 1.00 55.10 N ATOM 806 N ASN A 106 2.178 3.199 2.938 1.00 43.06 N ATOM 807 CA ASN A 106 2.332 4.514 2.328 1.00 39.95 C ATOM 808 C ASN A 106 1.566 5.527 3.188 1.00 36.33 C ATOM 809 O ASN A 106 1.135 6.577 2.704 1.00 33.76 O ATOM 810 CB ASN A 106 1.779 4.485 0.897 1.00 42.07 C ATOM 811 CG ASN A 106 2.051 5.767 0.130 1.00 45.12 C ATOM 812 OD1 ASN A 106 3.167 6.290 0.138 1.00 46.80 O ATOM 813 ND2 ASN A 106 1.025 6.279 -0.540 1.00 46.58 N ATOM 814 N GLN A 107 1.400 5.199 4.469 1.00 33.36 N ATOM 815 CA GLN A 107 0.679 6.065 5.394 1.00 30.98 C ATOM 816 C GLN A 107 1.384 6.285 6.724 1.00 27.52 C ATOM 817 O GLN A 107 2.226 5.493 7.146 1.00 28.44 O ATOM 818 CB GLN A 107 -0.727 5.521 5.665 1.00 34.48 C ATOM 819 CG GLN A 107 -1.639 5.486 4.448 1.00 37.55 C ATOM 820 CD GLN A 107 -3.100 5.390 4.825 1.00 40.58 C ATOM 821 OE1 GLN A 107 -3.890 6.287 4.520 1.00 43.44 O ATOM 822 NE2 GLN A 107 -3.471 4.308 5.505 1.00 39.97 N ATOM 823 N LEU A 108 1.030 7.387 7.372 1.00 22.92 N ATOM 824 CA LEU A 108 1.579 7.745 8.670 1.00 18.99 C ATOM 825 C LEU A 108 0.425 7.760 9.658 1.00 18.82 C ATOM 826 O LEU A 108 -0.710 8.034 9.277 1.00 19.52 O ATOM 827 CB LEU A 108 2.181 9.150 8.619 1.00 19.78 C ATOM 828 CG LEU A 108 3.343 9.383 7.656 1.00 21.31 C ATOM 829 CD1 LEU A 108 3.738 10.844 7.674 1.00 20.67 C ATOM 830 CD2 LEU A 108 4.511 8.502 8.056 1.00 22.07 C ATOM 831 N ILE A 109 0.709 7.430 10.911 1.00 17.77 N ATOM 832 CA ILE A 109 -0.313 7.470 11.948 1.00 18.26 C ATOM 833 C ILE A 109 -0.062 8.796 12.661 1.00 17.11 C ATOM 834 O ILE A 109 1.008 9.006 13.235 1.00 16.10 O ATOM 835 CB ILE A 109 -0.162 6.316 12.958 1.00 20.63 C ATOM 836 CG1 ILE A 109 -0.151 4.973 12.227 1.00 22.72 C ATOM 837 CG2 ILE A 109 -1.310 6.357 13.972 1.00 20.94 C ATOM 838 CD1 ILE A 109 0.155 3.796 13.126 1.00 26.08 C ATOM 839 N ILE A 110 -1.015 9.714 12.558 1.00 17.09 N ATOM 840 CA ILE A 110 -0.862 11.022 13.186 1.00 15.92 C ATOM 841 C ILE A 110 -1.943 11.348 14.206 1.00 16.42 C ATOM 842 O ILE A 110 -3.015 10.742 14.215 1.00 15.90 O ATOM 843 CB ILE A 110 -0.788 12.157 12.128 1.00 17.46 C ATOM 844 CG1 ILE A 110 -2.078 12.226 11.306 1.00 19.16 C ATOM 845 CG2 ILE A 110 0.420 11.940 11.195 1.00 17.46 C ATOM 846 CD1 ILE A 110 -2.995 13.367 11.692 1.00 19.59 C ATOM 847 N GLY A 111 -1.634 12.309 15.071 1.00 14.82 N ATOM 848 CA GLY A 111 -2.572 12.745 16.085 1.00 15.81 C ATOM 849 C GLY A 111 -2.825 14.221 15.879 1.00 15.41 C ATOM 850 O GLY A 111 -1.928 15.047 16.054 1.00 14.38 O ATOM 851 N ASP A 112 -4.023 14.542 15.412 1.00 14.84 N ATOM 852 CA ASP A 112 -4.406 15.924 15.170 1.00 14.84 C ATOM 853 C ASP A 112 -5.311 16.373 16.321 1.00 13.89 C ATOM 854 O ASP A 112 -6.408 15.853 16.479 1.00 14.34 O ATOM 855 CB ASP A 112 -5.151 16.016 13.826 1.00 14.18 C ATOM 856 CG ASP A 112 -5.595 17.430 13.480 1.00 14.91 C ATOM 857 OD1 ASP A 112 -5.408 18.358 14.292 1.00 15.74 O ATOM 858 OD2 ASP A 112 -6.150 17.617 12.380 1.00 16.12 O ATOM 859 N PRO A 113 -4.864 17.358 17.126 1.00 15.27 N ATOM 860 CA PRO A 113 -5.638 17.880 18.263 1.00 14.51 C ATOM 861 C PRO A 113 -7.065 18.316 17.902 1.00 15.31 C ATOM 862 O PRO A 113 -7.924 18.402 18.781 1.00 15.56 O ATOM 863 CB PRO A 113 -4.786 19.052 18.741 1.00 13.93 C ATOM 864 CG PRO A 113 -3.385 18.568 18.448 1.00 14.50 C ATOM 865 CD PRO A 113 -3.544 18.012 17.054 1.00 14.35 C ATOM 866 N ASP A 114 -7.305 18.618 16.625 1.00 14.98 N ATOM 867 CA ASP A 114 -8.641 18.993 16.139 1.00 16.32 C ATOM 868 C ASP A 114 -9.540 17.844 16.621 1.00 15.88 C ATOM 869 O ASP A 114 -9.339 16.695 16.235 1.00 15.84 O ATOM 870 CB ASP A 114 -8.611 19.054 14.601 1.00 17.37 C ATOM 871 CG ASP A 114 -9.968 19.360 13.970 1.00 17.84 C ATOM 872 OD1 ASP A 114 -11.030 19.066 14.561 1.00 15.88 O ATOM 873 OD2 ASP A 114 -9.962 19.860 12.830 1.00 17.48 O ATOM 874 N PRO A 115 -10.532 18.144 17.485 1.00 17.08 N ATOM 875 CA PRO A 115 -11.431 17.110 18.011 1.00 17.60 C ATOM 876 C PRO A 115 -12.283 16.346 17.003 1.00 17.96 C ATOM 877 O PRO A 115 -12.823 15.291 17.333 1.00 17.84 O ATOM 878 CB PRO A 115 -12.258 17.863 19.057 1.00 17.29 C ATOM 879 CG PRO A 115 -12.272 19.265 18.551 1.00 18.71 C ATOM 880 CD PRO A 115 -10.850 19.461 18.061 1.00 15.31 C ATOM 881 N SER A 116 -12.367 16.852 15.775 1.00 16.73 N ATOM 882 CA SER A 116 -13.125 16.182 14.723 1.00 17.47 C ATOM 883 C SER A 116 -12.214 15.273 13.890 1.00 18.02 C ATOM 884 O SER A 116 -12.672 14.605 12.961 1.00 18.89 O ATOM 885 CB SER A 116 -13.840 17.203 13.824 1.00 19.99 C ATOM 886 OG SER A 116 -12.944 17.932 12.997 1.00 17.94 O ATOM 887 N VAL A 117 -10.929 15.229 14.245 1.00 16.18 N ATOM 888 CA VAL A 117 -9.957 14.401 13.532 1.00 16.08 C ATOM 889 C VAL A 117 -9.267 13.405 14.471 1.00 16.37 C ATOM 890 O VAL A 117 -9.344 12.192 14.269 1.00 16.74 O ATOM 891 CB VAL A 117 -8.876 15.268 12.828 1.00 16.55 C ATOM 892 CG1 VAL A 117 -7.912 14.383 12.042 1.00 15.75 C ATOM 893 CG2 VAL A 117 -9.527 16.288 11.898 1.00 14.73 C ATOM 894 N LYS A 118 -8.572 13.927 15.480 1.00 14.51 N ATOM 895 CA LYS A 118 -7.867 13.097 16.451 1.00 15.72 C ATOM 896 C LYS A 118 -6.836 12.153 15.819 1.00 14.88 C ATOM 897 O LYS A 118 -6.135 12.543 14.888 1.00 15.48 O ATOM 898 CB LYS A 118 -8.867 12.319 17.312 1.00 16.06 C ATOM 899 CG LYS A 118 -9.741 13.193 18.189 1.00 20.63 C ATOM 900 CD LYS A 118 -10.551 12.307 19.123 1.00 24.75 C ATOM 901 CE LYS A 118 -11.478 13.104 19.997 1.00 25.86 C ATOM 902 NZ LYS A 118 -12.136 12.199 20.974 1.00 26.36 N ATOM 903 N VAL A 119 -6.757 10.915 16.305 1.00 15.59 N ATOM 904 CA VAL A 119 -5.789 9.955 15.769 1.00 17.27 C ATOM 905 C VAL A 119 -6.310 9.317 14.488 1.00 18.38 C ATOM 906 O VAL A 119 -7.391 8.726 14.469 1.00 17.50 O ATOM 907 CB VAL A 119 -5.427 8.857 16.797 1.00 19.15 C ATOM 908 CG1 VAL A 119 -4.337 7.946 16.234 1.00 18.25 C ATOM 909 CG2 VAL A 119 -4.960 9.485 18.093 1.00 18.08 C ATOM 910 N THR A 120 -5.525 9.425 13.420 1.00 18.09 N ATOM 911 CA THR A 120 -5.926 8.883 12.129 1.00 19.46 C ATOM 912 C THR A 120 -4.728 8.541 11.246 1.00 20.67 C ATOM 913 O THR A 120 -3.590 8.883 11.563 1.00 20.28 O ATOM 914 CB THR A 120 -6.822 9.905 11.376 1.00 20.87 C ATOM 915 OG1 THR A 120 -7.277 9.341 10.141 1.00 23.35 O ATOM 916 CG2 THR A 120 -6.046 11.191 11.082 1.00 21.05 C ATOM 917 N ARG A 121 -4.992 7.794 10.179 1.00 20.14 N ATOM 918 CA ARG A 121 -3.958 7.443 9.219 1.00 22.42 C ATOM 919 C ARG A 121 -4.019 8.518 8.138 1.00 21.19 C ATOM 920 O ARG A 121 -5.105 8.973 7.772 1.00 22.38 O ATOM 921 CB ARG A 121 -4.232 6.070 8.600 1.00 25.94 C ATOM 922 CG ARG A 121 -3.945 4.903 9.520 1.00 32.04 C ATOM 923 CD ARG A 121 -4.247 3.582 8.831 1.00 38.29 C ATOM 924 NE ARG A 121 -3.727 2.450 9.591 1.00 44.11 N ATOM 925 CZ ARG A 121 -2.596 1.810 9.307 1.00 46.43 C ATOM 926 NH1 ARG A 121 -1.852 2.183 8.271 1.00 47.53 N ATOM 927 NH2 ARG A 121 -2.202 0.798 10.069 1.00 48.45 N ATOM 928 N MET A 122 -2.856 8.942 7.659 1.00 18.16 N ATOM 929 CA MET A 122 -2.770 9.967 6.623 1.00 17.78 C ATOM 930 C MET A 122 -1.751 9.517 5.584 1.00 16.33 C ATOM 931 O MET A 122 -0.680 9.023 5.936 1.00 15.47 O ATOM 932 CB MET A 122 -2.326 11.306 7.234 1.00 17.58 C ATOM 933 CG MET A 122 -2.288 12.471 6.246 1.00 20.32 C ATOM 934 SD MET A 122 -1.846 14.070 7.003 1.00 20.97 S ATOM 935 CE MET A 122 -3.404 14.494 7.822 1.00 23.60 C ATOM 936 N SER A 123 -2.081 9.683 4.306 1.00 17.37 N ATOM 937 CA SER A 123 -1.161 9.283 3.249 1.00 17.88 C ATOM 938 C SER A 123 0.096 10.140 3.343 1.00 18.28 C ATOM 939 O SER A 123 0.039 11.296 3.777 1.00 15.84 O ATOM 940 CB SER A 123 -1.798 9.459 1.868 1.00 19.74 C ATOM 941 OG SER A 123 -1.951 10.827 1.542 1.00 18.41 O ATOM 942 N LYS A 124 1.233 9.560 2.977 1.00 18.14 N ATOM 943 CA LYS A 124 2.492 10.296 3.015 1.00 19.83 C ATOM 944 C LYS A 124 2.445 11.494 2.069 1.00 19.29 C ATOM 945 O LYS A 124 3.038 12.530 2.352 1.00 17.76 O ATOM 946 CB LYS A 124 3.665 9.369 2.694 1.00 19.82 C ATOM 947 CG LYS A 124 3.975 8.406 3.835 1.00 21.59 C ATOM 948 CD LYS A 124 5.067 7.415 3.496 1.00 25.09 C ATOM 949 CE LYS A 124 5.373 6.549 4.711 1.00 28.03 C ATOM 950 NZ LYS A 124 6.205 5.366 4.384 1.00 29.59 N ATOM 951 N GLU A 125 1.678 11.364 0.987 1.00 20.32 N ATOM 952 CA GLU A 125 1.519 12.428 -0.007 1.00 21.65 C ATOM 953 C GLU A 125 0.820 13.642 0.598 1.00 20.09 C ATOM 954 O GLU A 125 1.268 14.775 0.430 1.00 17.90 O ATOM 955 CB GLU A 125 0.672 11.929 -1.179 1.00 28.37 C ATOM 956 CG GLU A 125 1.184 12.337 -2.545 1.00 36.62 C ATOM 957 CD GLU A 125 2.188 11.347 -3.111 1.00 40.39 C ATOM 958 OE1 GLU A 125 2.160 11.108 -4.339 1.00 43.24 O ATOM 959 OE2 GLU A 125 2.997 10.800 -2.331 1.00 41.96 O ATOM 960 N ARG A 126 -0.304 13.394 1.268 1.00 18.66 N ATOM 961 CA ARG A 126 -1.089 14.449 1.909 1.00 17.37 C ATOM 962 C ARG A 126 -0.257 15.147 2.979 1.00 14.84 C ATOM 963 O ARG A 126 -0.213 16.379 3.046 1.00 13.27 O ATOM 964 CB ARG A 126 -2.340 13.851 2.562 1.00 21.02 C ATOM 965 CG ARG A 126 -3.203 14.856 3.321 1.00 28.27 C ATOM 966 CD ARG A 126 -4.203 15.542 2.410 1.00 36.72 C ATOM 967 NE ARG A 126 -5.173 14.587 1.875 1.00 42.69 N ATOM 968 CZ ARG A 126 -6.349 14.919 1.351 1.00 44.85 C ATOM 969 NH1 ARG A 126 -6.720 16.191 1.286 1.00 46.90 N ATOM 970 NH2 ARG A 126 -7.157 13.973 0.890 1.00 45.12 N ATOM 971 N PHE A 127 0.382 14.347 3.828 1.00 13.61 N ATOM 972 CA PHE A 127 1.213 14.875 4.902 1.00 14.03 C ATOM 973 C PHE A 127 2.340 15.750 4.345 1.00 14.54 C ATOM 974 O PHE A 127 2.579 16.855 4.830 1.00 11.82 O ATOM 975 CB PHE A 127 1.802 13.733 5.720 1.00 15.23 C ATOM 976 CG PHE A 127 2.656 14.191 6.861 1.00 14.31 C ATOM 977 CD1 PHE A 127 2.074 14.631 8.044 1.00 18.02 C ATOM 978 CD2 PHE A 127 4.043 14.184 6.755 1.00 15.05 C ATOM 979 CE1 PHE A 127 2.863 15.060 9.108 1.00 17.63 C ATOM 980 CE2 PHE A 127 4.837 14.609 7.809 1.00 13.17 C ATOM 981 CZ PHE A 127 4.248 15.048 8.988 1.00 16.33 C ATOM 982 N GLN A 128 3.032 15.236 3.334 1.00 13.82 N ATOM 983 CA GLN A 128 4.130 15.963 2.691 1.00 14.48 C ATOM 984 C GLN A 128 3.670 17.340 2.190 1.00 14.32 C ATOM 985 O GLN A 128 4.420 18.317 2.252 1.00 14.75 O ATOM 986 CB GLN A 128 4.679 15.122 1.534 1.00 13.70 C ATOM 987 CG GLN A 128 5.905 15.698 0.837 1.00 15.57 C ATOM 988 CD GLN A 128 6.500 14.721 -0.161 1.00 15.65 C ATOM 989 OE1 GLN A 128 7.681 14.387 -0.087 1.00 17.64 O ATOM 990 NE2 GLN A 128 5.677 14.240 -1.083 1.00 13.52 N ATOM 991 N SER A 129 2.423 17.425 1.727 1.00 16.46 N ATOM 992 CA SER A 129 1.879 18.689 1.232 1.00 16.23 C ATOM 993 C SER A 129 1.659 19.740 2.326 1.00 15.39 C ATOM 994 O SER A 129 1.803 20.933 2.072 1.00 15.85 O ATOM 995 CB SER A 129 0.566 18.456 0.474 1.00 20.83 C ATOM 996 OG SER A 129 0.765 17.623 -0.657 1.00 26.84 O ATOM 997 N GLU A 130 1.324 19.299 3.538 1.00 13.90 N ATOM 998 CA GLU A 130 1.065 20.212 4.659 1.00 14.35 C ATOM 999 C GLU A 130 2.276 20.515 5.547 1.00 12.26 C ATOM 1000 O GLU A 130 2.371 21.592 6.135 1.00 12.72 O ATOM 1001 CB GLU A 130 -0.027 19.631 5.571 1.00 16.17 C ATOM 1002 CG GLU A 130 -1.350 19.299 4.899 1.00 21.90 C ATOM 1003 CD GLU A 130 -2.353 18.655 5.856 1.00 24.71 C ATOM 1004 OE1 GLU A 130 -3.539 18.557 5.481 1.00 26.97 O ATOM 1005 OE2 GLU A 130 -1.963 18.241 6.974 1.00 21.53 O ATOM 1006 N TRP A 131 3.175 19.543 5.666 1.00 9.83 N ATOM 1007 CA TRP A 131 4.362 19.647 6.525 1.00 9.87 C ATOM 1008 C TRP A 131 5.414 20.675 6.101 1.00 10.81 C ATOM 1009 O TRP A 131 5.864 20.689 4.950 1.00 11.78 O ATOM 1010 CB TRP A 131 4.995 18.255 6.640 1.00 9.51 C ATOM 1011 CG TRP A 131 6.112 18.098 7.642 1.00 9.44 C ATOM 1012 CD1 TRP A 131 6.227 18.704 8.864 1.00 10.61 C ATOM 1013 CD2 TRP A 131 7.217 17.203 7.533 1.00 11.40 C ATOM 1014 NE1 TRP A 131 7.335 18.225 9.529 1.00 9.34 N ATOM 1015 CE2 TRP A 131 7.959 17.302 8.730 1.00 10.40 C ATOM 1016 CE3 TRP A 131 7.650 16.315 6.536 1.00 12.27 C ATOM 1017 CZ2 TRP A 131 9.110 16.545 8.959 1.00 13.14 C ATOM 1018 CZ3 TRP A 131 8.791 15.562 6.765 1.00 15.73 C ATOM 1019 CH2 TRP A 131 9.509 15.682 7.971 1.00 13.35 C ATOM 1020 N THR A 132 5.813 21.528 7.043 1.00 10.33 N ATOM 1021 CA THR A 132 6.831 22.543 6.784 1.00 10.24 C ATOM 1022 C THR A 132 8.225 21.924 6.830 1.00 11.81 C ATOM 1023 O THR A 132 9.202 22.558 6.435 1.00 12.55 O ATOM 1024 CB THR A 132 6.818 23.672 7.842 1.00 10.64 C ATOM 1025 OG1 THR A 132 7.185 23.135 9.121 1.00 11.63 O ATOM 1026 CG2 THR A 132 5.440 24.326 7.934 1.00 11.58 C ATOM 1027 N GLY A 133 8.306 20.689 7.317 1.00 10.83 N ATOM 1028 CA GLY A 133 9.584 20.020 7.457 1.00 11.22 C ATOM 1029 C GLY A 133 10.076 20.098 8.897 1.00 12.75 C ATOM 1030 O GLY A 133 10.977 19.359 9.291 1.00 12.38 O ATOM 1031 N LEU A 134 9.480 20.986 9.691 1.00 10.80 N ATOM 1032 CA LEU A 134 9.875 21.141 11.086 1.00 11.77 C ATOM 1033 C LEU A 134 9.377 19.992 11.948 1.00 12.86 C ATOM 1034 O LEU A 134 8.191 19.646 11.921 1.00 10.24 O ATOM 1035 CB LEU A 134 9.363 22.467 11.666 1.00 15.46 C ATOM 1036 CG LEU A 134 9.740 22.709 13.137 1.00 19.44 C ATOM 1037 CD1 LEU A 134 11.236 22.956 13.256 1.00 21.85 C ATOM 1038 CD2 LEU A 134 8.969 23.889 13.698 1.00 24.00 C ATOM 1039 N ALA A 135 10.298 19.395 12.700 1.00 11.39 N ATOM 1040 CA ALA A 135 9.973 18.293 13.601 1.00 11.37 C ATOM 1041 C ALA A 135 10.608 18.589 14.955 1.00 13.28 C ATOM 1042 O ALA A 135 11.751 19.040 15.026 1.00 13.65 O ATOM 1043 CB ALA A 135 10.501 16.970 13.050 1.00 11.33 C ATOM 1044 N ILE A 136 9.842 18.382 16.019 1.00 12.41 N ATOM 1045 CA ILE A 136 10.327 18.616 17.372 1.00 13.92 C ATOM 1046 C ILE A 136 10.306 17.289 18.109 1.00 14.07 C ATOM 1047 O ILE A 136 9.259 16.647 18.228 1.00 12.60 O ATOM 1048 CB ILE A 136 9.454 19.657 18.122 1.00 16.24 C ATOM 1049 CG1 ILE A 136 9.472 20.991 17.369 1.00 16.69 C ATOM 1050 CG2 ILE A 136 9.974 19.857 19.558 1.00 17.25 C ATOM 1051 CD1 ILE A 136 8.446 21.998 17.854 1.00 18.80 C ATOM 1052 N PHE A 137 11.485 16.870 18.564 1.00 15.78 N ATOM 1053 CA PHE A 137 11.654 15.624 19.300 1.00 17.33 C ATOM 1054 C PHE A 137 11.875 15.920 20.779 1.00 20.34 C ATOM 1055 O PHE A 137 12.643 16.820 21.132 1.00 19.33 O ATOM 1056 CB PHE A 137 12.847 14.837 18.740 1.00 17.44 C ATOM 1057 CG PHE A 137 12.619 14.287 17.355 1.00 17.65 C ATOM 1058 CD1 PHE A 137 12.209 12.970 17.177 1.00 17.56 C ATOM 1059 CD2 PHE A 137 12.787 15.092 16.234 1.00 18.41 C ATOM 1060 CE1 PHE A 137 11.964 12.463 15.905 1.00 17.08 C ATOM 1061 CE2 PHE A 137 12.545 14.595 14.955 1.00 17.41 C ATOM 1062 CZ PHE A 137 12.129 13.278 14.790 1.00 15.92 C ATOM 1063 N LEU A 138 11.188 15.170 21.638 1.00 20.81 N ATOM 1064 CA LEU A 138 11.303 15.346 23.083 1.00 25.76 C ATOM 1065 C LEU A 138 11.690 14.029 23.744 1.00 27.70 C ATOM 1066 O LEU A 138 11.290 12.956 23.293 1.00 27.29 O ATOM 1067 CB LEU A 138 9.976 15.822 23.680 1.00 27.78 C ATOM 1068 CG LEU A 138 9.202 16.956 23.008 1.00 29.76 C ATOM 1069 CD1 LEU A 138 7.949 17.242 23.812 1.00 31.77 C ATOM 1070 CD2 LEU A 138 10.054 18.202 22.896 1.00 31.79 C ATOM 1071 N ALA A 139 12.444 14.122 24.833 1.00 32.35 N ATOM 1072 CA ALA A 139 12.878 12.940 25.570 1.00 37.21 C ATOM 1073 C ALA A 139 13.118 13.289 27.033 1.00 39.76 C ATOM 1074 O ALA A 139 13.668 14.345 27.342 1.00 39.30 O ATOM 1075 CB ALA A 139 14.149 12.375 24.950 1.00 37.12 C ATOM 1076 N PRO A 140 12.666 12.424 27.958 1.00 43.56 N ATOM 1077 CA PRO A 140 12.850 12.663 29.394 1.00 46.34 C ATOM 1078 C PRO A 140 14.335 12.655 29.745 1.00 48.86 C ATOM 1079 O PRO A 140 15.055 11.719 29.391 1.00 50.13 O ATOM 1080 CB PRO A 140 12.130 11.473 30.030 1.00 46.32 C ATOM 1081 CG PRO A 140 11.065 11.147 29.034 1.00 45.73 C ATOM 1082 CD PRO A 140 11.821 11.239 27.733 1.00 44.38 C ATOM 1083 N GLN A 141 14.798 13.713 30.404 1.00 51.71 N ATOM 1084 CA GLN A 141 16.203 13.811 30.795 1.00 53.86 C ATOM 1085 C GLN A 141 16.451 13.262 32.200 1.00 54.87 C ATOM 1086 O GLN A 141 15.546 13.383 33.058 1.00 55.40 O ATOM 1087 CB GLN A 141 16.695 15.260 30.690 1.00 54.63 C ATOM 1088 CG GLN A 141 15.967 16.252 31.590 1.00 55.35 C ATOM 1089 CD GLN A 141 16.472 17.679 31.440 1.00 56.55 C ATOM 1090 OE1 GLN A 141 16.175 18.541 32.269 1.00 56.79 O ATOM 1091 NE2 GLN A 141 17.233 17.937 30.379 1.00 56.90 N TER 1092 GLN A 141 HETATM 1093 O HOH A 157 -8.394 23.697 24.434 1.00 12.93 O HETATM 1094 O HOH A 158 6.807 18.502 3.426 1.00 15.02 O HETATM 1095 O HOH A 159 6.593 22.225 2.890 1.00 12.33 O HETATM 1096 O HOH A 160 9.763 15.703 1.306 1.00 13.83 O HETATM 1097 O HOH A 161 -3.887 29.246 30.490 1.00 16.35 O HETATM 1098 O HOH A 162 4.732 21.007 1.029 1.00 17.17 O HETATM 1099 O HOH A 163 -5.760 16.582 9.837 1.00 16.60 O HETATM 1100 O HOH A 164 0.352 25.640 10.839 1.00 21.70 O HETATM 1101 O HOH A 165 17.707 20.703 11.121 1.00 20.61 O HETATM 1102 O HOH A 166 2.986 15.536 -1.623 1.00 19.49 O HETATM 1103 O HOH A 167 -9.810 9.620 14.930 1.00 21.37 O HETATM 1104 O HOH A 168 11.084 19.207 3.933 1.00 23.15 O HETATM 1105 O HOH A 169 -4.073 26.222 17.678 1.00 23.34 O HETATM 1106 O HOH A 170 11.869 8.378 0.645 1.00 24.63 O HETATM 1107 O HOH A 171 -0.844 22.982 3.516 1.00 22.11 O HETATM 1108 O HOH A 172 -6.848 20.206 29.790 1.00 23.05 O HETATM 1109 O HOH A 173 -8.482 18.196 25.867 1.00 21.65 O HETATM 1110 O HOH A 174 -14.351 19.933 11.598 1.00 21.50 O HETATM 1111 O HOH A 175 -7.375 19.895 11.501 1.00 21.75 O HETATM 1112 O HOH A 176 10.792 22.016 4.176 1.00 25.10 O HETATM 1113 O HOH A 177 -2.920 28.198 13.419 1.00 30.20 O HETATM 1114 O HOH A 178 6.884 28.962 15.059 1.00 31.80 O HETATM 1115 O HOH A 179 -11.165 25.297 26.566 1.00 24.71 O HETATM 1116 O HOH A 180 9.723 4.558 18.481 1.00 25.53 O HETATM 1117 O HOH A 181 16.364 2.445 8.022 1.00 23.01 O HETATM 1118 O HOH A 182 11.040 3.345 14.101 1.00 41.32 O HETATM 1119 O HOH A 183 -10.036 11.360 11.510 1.00 29.95 O HETATM 1120 O HOH A 184 -10.079 11.574 22.666 1.00 38.87 O HETATM 1121 O HOH A 185 0.410 15.601 29.516 1.00 30.54 O HETATM 1122 O HOH A 186 8.182 8.945 3.590 1.00 28.27 O HETATM 1123 O HOH A 187 -4.824 10.864 3.691 1.00 28.05 O HETATM 1124 O HOH A 188 18.719 20.797 15.948 1.00 34.02 O HETATM 1125 O HOH A 189 -4.357 25.617 14.756 1.00 31.67 O HETATM 1126 O HOH A 190 4.504 6.340 18.943 1.00 24.21 O HETATM 1127 O HOH A 191 -8.708 30.353 21.068 1.00 31.45 O HETATM 1128 O HOH A 192 4.064 30.698 21.779 1.00 29.73 O HETATM 1129 O HOH A 193 1.146 10.688 22.768 1.00 27.89 O HETATM 1130 O HOH A 194 5.496 3.574 16.045 1.00 34.27 O HETATM 1131 O HOH A 195 17.286 22.162 18.409 1.00 33.70 O HETATM 1132 O HOH A 196 -11.480 18.338 22.653 1.00 26.43 O HETATM 1133 O HOH A 197 17.816 -0.109 6.797 1.00 33.69 O HETATM 1134 O HOH A 198 1.027 7.793 22.692 1.00 32.66 O HETATM 1135 O HOH A 199 7.715 4.393 6.382 1.00 40.51 O HETATM 1136 O HOH A 200 5.006 10.570 -0.538 1.00 35.83 O HETATM 1137 O HOH A 201 -7.526 5.974 9.819 1.00 46.37 O HETATM 1138 O HOH A 202 -9.315 23.070 26.910 1.00 18.46 O HETATM 1139 O HOH A 203 7.186 9.998 1.200 1.00 23.43 O HETATM 1140 O HOH A 204 -8.354 9.125 18.372 1.00 25.97 O HETATM 1141 O HOH A 205 -11.273 17.389 25.527 1.00 22.23 O HETATM 1142 O HOH A 206 9.247 29.772 16.731 1.00 30.02 O HETATM 1143 O HOH A 207 -9.103 20.388 27.814 1.00 25.00 O HETATM 1144 O HOH A 208 12.789 19.066 1.617 1.00 25.05 O HETATM 1145 O HOH A 209 -1.297 26.562 19.491 1.00 32.10 O HETATM 1146 O HOH A 210 -7.870 16.337 27.880 1.00 33.90 O HETATM 1147 O HOH A 211 1.469 33.011 18.405 1.00 49.40 O HETATM 1148 O HOH A 212 -7.295 14.752 8.285 1.00 37.41 O HETATM 1149 O HOH A 213 9.392 13.132 21.126 1.00 37.18 O HETATM 1150 O HOH A 214 16.463 15.609 22.078 1.00 36.43 O HETATM 1151 O HOH A 215 -13.597 11.097 23.172 1.00 40.17 O HETATM 1152 O HOH A 216 3.087 6.555 21.283 1.00 36.61 O HETATM 1153 O HOH A 217 -1.623 21.010 1.578 1.00 34.13 O HETATM 1154 O HOH A 218 6.500 4.829 20.285 1.00 39.79 O HETATM 1155 O HOH A 219 21.814 5.267 13.242 1.00 40.91 O HETATM 1156 O HOH A 220 8.202 6.212 2.967 1.00 35.32 O HETATM 1157 O HOH A 221 -11.145 19.267 10.108 1.00 36.67 O HETATM 1158 O HOH A 222 9.111 18.495 1.988 1.00 35.00 O HETATM 1159 O HOH A 223 -12.294 15.517 22.262 1.00 41.32 O HETATM 1160 O HOH A 224 -5.902 9.109 23.433 1.00 45.03 O HETATM 1161 O HOH A 225 -2.527 31.667 30.494 1.00 43.68 O HETATM 1162 O HOH A 226 21.281 0.687 13.930 1.00 40.25 O HETATM 1163 O HOH A 227 5.882 2.913 13.071 1.00 35.95 O HETATM 1164 O HOH A 228 11.936 13.525 1.248 1.00 31.03 O HETATM 1165 O HOH A 229 -2.817 14.558 29.768 1.00 41.05 O HETATM 1166 O HOH A 230 -4.069 23.449 3.387 1.00 45.06 O HETATM 1167 O HOH A 231 18.380 20.626 8.195 1.00 44.16 O HETATM 1168 O HOH A 232 -10.292 12.931 25.181 1.00 45.43 O HETATM 1169 O HOH A 233 5.315 31.440 30.730 1.00 46.74 O HETATM 1170 O HOH A 234 -3.882 32.473 25.493 1.00 36.19 O HETATM 1171 O HOH A 235 -8.772 12.143 8.820 1.00 31.07 O HETATM 1172 O HOH A 236 11.635 25.192 17.381 1.00 47.88 O HETATM 1173 O HOH A 237 10.900 10.889 -0.001 0.50 24.36 O HETATM 1174 O HOH A 238 -14.115 15.173 20.194 1.00 32.08 O HETATM 1175 O HOH A 239 0.881 9.018 -0.430 1.00 28.48 O HETATM 1176 O HOH A 240 7.277 7.247 0.012 0.50 31.21 O HETATM 1177 O HOH A 241 14.933 2.296 4.401 1.00 46.23 O HETATM 1178 O HOH A 242 18.512 6.842 16.187 1.00 49.29 O HETATM 1179 O HOH A 243 -6.200 11.534 6.912 1.00 48.47 O HETATM 1180 O HOH A 244 -0.613 32.359 27.606 1.00 49.55 O HETATM 1181 O HOH A 245 -1.306 15.865 -1.638 1.00 46.82 O HETATM 1182 O HOH A 246 -7.672 13.463 26.746 1.00 47.53 O HETATM 1183 O HOH A 247 -5.951 17.088 6.032 1.00 48.37 O HETATM 1184 O HOH A 248 9.085 32.798 17.337 1.00 47.43 O HETATM 1185 O HOH A 249 3.082 26.058 38.931 1.00 49.45 O HETATM 1186 O HOH A 250 -4.066 16.821 33.078 1.00 45.67 O HETATM 1187 O HOH A 251 -2.974 33.478 9.759 1.00 49.95 O MASTER 290 0 0 5 6 0 0 6 1186 1 0 12 END