HEADER REPLICATION 31-JUL-08 3E0E TITLE CRYSTAL STRUCTURE OF A DOMAIN OF REPLICATION PROTEIN A FROM TITLE 2 METHANOCOCCUS MARIPALUDIS. NORTHEAST STRUCTURAL GENOMICS TITLE 3 TARGE MRR110B COMPND MOL_ID: 1; COMPND 2 MOLECULE: REPLICATION PROTEIN A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 173-267; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS MARIPALUDIS; SOURCE 3 ORGANISM_TAXID: 39152; SOURCE 4 GENE: RPA, MMP1032; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET 21 KEYWDS REPLICATION PROTEIN A, STRUCTURAL GENOMICS, PSI-2, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, NESG EXPDTA X-RAY DIFFRACTION AUTHOR J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, AUTHOR 2 R.NAIR,J.K.EVERETT,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT, AUTHOR 3 L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 3E0E 1 VERSN REVDAT 1 30-SEP-08 3E0E 0 JRNL AUTH J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE, JRNL AUTH 2 R.XIAO,R.NAIR,J.K.EVERETT,T.B.ACTON,B.ROST, JRNL AUTH 3 G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF A DOMAIN OF REPLICATION JRNL TITL 2 PROTEIN A FROM METHANOCOCCUS MARIPALUDIS. JRNL TITL 3 NORTHEAST STRUCTURAL GENOMICS TARGE MRR110B JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.28 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 146558.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.9 REMARK 3 NUMBER OF REFLECTIONS : 19559 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) : 0.234 REMARK 3 FREE R VALUE : 0.269 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1146 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.10 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2958 REMARK 3 BIN R VALUE (WORKING SET) : 0.2730 REMARK 3 BIN FREE R VALUE : 0.2880 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 6.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 204 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 687 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 104 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.54000 REMARK 3 B22 (A**2) : -1.13000 REMARK 3 B33 (A**2) : -0.41000 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) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.12 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) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.04 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.60 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.74 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 61.01 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER_REP.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3E0E COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-AUG-08. REMARK 100 THE RCSB ID CODE IS RCSB048716. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-JUN-08; NULL REMARK 200 TEMPERATURE (KELVIN) : 100; NULL REMARK 200 PH : 5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : NSLS; NSLS REMARK 200 BEAMLINE : X4A; X4C REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; NULL REMARK 200 WAVELENGTH OR RANGE (A) : 0.979; 0.979 REMARK 200 MONOCHROMATOR : NULL; NULL REMARK 200 OPTICS : MIRRORS; NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD; NULL REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210; NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19963 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 21.400 REMARK 200 R MERGE (I) : 0.04800 REMARK 200 R SYM (I) : 0.04400 REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.7 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.22500 REMARK 200 R SYM FOR SHELL (I) : 0.21300 REMARK 200 FOR SHELL : 19.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD 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 (%): 31.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.81 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CHLORIDE 0.1 M, SODIUM REMARK 280 ACETATE 0.1 M, PEG 4000 40%, PH 5, MICRO BATCH UNDER OIL REMARK 280 METHOD, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 12.63150 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 28.11150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.44800 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 28.11150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.63150 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 27.44800 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 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 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 ARG A 30 REMARK 465 LYS A 31 REMARK 465 ASP A 32 REMARK 465 GLY A 33 REMARK 465 TYR A 79 REMARK 465 SER A 80 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 THR A 34 OG1 CG2 REMARK 470 LYS A 35 CB CG CD CE NZ REMARK 470 LYS A 76 CG CD CE NZ REMARK 470 GLN A 77 CG CD OE1 NE2 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 ASN A 56 -120.69 47.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MRR110B RELATED DB: TARGETDB DBREF 3E0E A 1 95 UNP Q6LYF9 Q6LYF9_METMP 173 267 SEQADV 3E0E MSE A 0 UNP Q6LYF9 EXPRESSION TAG SEQADV 3E0E LEU A 96 UNP Q6LYF9 EXPRESSION TAG SEQRES 1 A 97 MSE ASN TYR LYS ILE SER GLU LEU MSE PRO ASN LEU SER SEQRES 2 A 97 GLY THR ILE ASN ALA GLU VAL VAL THR ALA TYR PRO LYS SEQRES 3 A 97 LYS GLU PHE SER ARG LYS ASP GLY THR LYS GLY GLN LEU SEQRES 4 A 97 LYS SER LEU PHE LEU LYS ASP ASP THR GLY SER ILE ARG SEQRES 5 A 97 GLY THR LEU TRP ASN GLU LEU ALA ASP PHE GLU VAL LYS SEQRES 6 A 97 LYS GLY ASP ILE ALA GLU VAL SER GLY TYR VAL LYS GLN SEQRES 7 A 97 GLY TYR SER GLY LEU GLU ILE SER VAL ASP ASN ILE GLY SEQRES 8 A 97 ILE ILE GLU LYS SER LEU MODRES 3E0E MSE A 0 MET SELENOMETHIONINE MODRES 3E0E MSE A 8 MET SELENOMETHIONINE HET MSE A 0 8 HET MSE A 8 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 2(C5 H11 N O2 SE) FORMUL 2 HOH *104(H2 O) HELIX 1 1 LYS A 3 LEU A 7 5 5 HELIX 2 2 GLU A 57 PHE A 61 5 5 SHEET 1 A 4 ASN A 1 TYR A 2 0 SHEET 2 A 4 LEU A 11 ALA A 22 1 O THR A 14 N TYR A 2 SHEET 3 A 4 GLY A 36 ASP A 45 -1 O LYS A 44 N GLU A 18 SHEET 4 A 4 LYS A 26 PHE A 28 -1 N LYS A 26 O LEU A 38 SHEET 1 B 7 ASN A 1 TYR A 2 0 SHEET 2 B 7 LEU A 11 ALA A 22 1 O THR A 14 N TYR A 2 SHEET 3 B 7 ILE A 68 LYS A 76 -1 O VAL A 75 N LEU A 11 SHEET 4 B 7 GLU A 83 GLU A 93 -1 O SER A 85 N TYR A 74 SHEET 5 B 7 GLY A 48 TRP A 55 1 N ARG A 51 O ILE A 84 SHEET 6 B 7 GLY A 36 ASP A 45 -1 N LEU A 41 O GLY A 52 SHEET 7 B 7 LYS A 26 PHE A 28 -1 N LYS A 26 O LEU A 38 LINK C MSE A 0 N ASN A 1 1555 1555 1.33 LINK C LEU A 7 N MSE A 8 1555 1555 1.33 LINK C MSE A 8 N PRO A 9 1555 1555 1.34 CRYST1 25.263 54.896 56.223 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.039584 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018216 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017786 0.00000 HETATM 1 N MSE A 1 6.561 9.402 -0.858 1.00 33.15 N HETATM 2 CA MSE A 1 5.166 9.919 -0.772 1.00 32.76 C HETATM 3 C MSE A 1 4.350 9.030 0.152 1.00 31.28 C HETATM 4 O MSE A 1 4.706 7.880 0.396 1.00 31.38 O HETATM 5 CB MSE A 1 4.508 9.924 -2.156 1.00 33.72 C HETATM 6 CG MSE A 1 4.302 8.530 -2.745 1.00 38.07 C HETATM 7 SE MSE A 1 3.266 8.492 -4.387 1.00 43.47 SE HETATM 8 CE MSE A 1 1.511 8.201 -3.629 1.00 41.77 C REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0E.PDB, MODEL/S 1 3E0E.PDB REMARK PdbStat -- SEQRES 1 A 195 MSE ASN TYR LYS ILE SER GLU LEU MSE PRO ASN LEU SER SEQRES 2 A 195 GLY THR ILE ASN ALA GLU VAL VAL THR ALA TYR PRO LYS SEQRES 3 A 195 LYS GLU PHE SER THR LYS GLY GLN LEU LYS SER LEU PHE SEQRES 4 A 195 LEU LYS ASP ASP THR GLY SER ILE ARG GLY THR LEU TRP SEQRES 5 A 195 ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY ASP ILE SEQRES 6 A 195 ALA GLU VAL SER GLY TYR VAL LYS GLN GLY GLY LEU GLU SEQRES 7 A 195 ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU SEQRES 8 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 9 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 195 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0E.PDB, MODEL/S 1 3E0E.PDB REMARK PdbStat -- SEQRES 1 A 195 MSE ASN TYR LYS ILE SER GLU LEU MSE PRO ASN LEU SER SEQRES 2 A 195 GLY THR ILE ASN ALA GLU VAL VAL THR ALA TYR PRO LYS SEQRES 3 A 195 LYS GLU PHE SER THR LYS GLY GLN LEU LYS SER LEU PHE SEQRES 4 A 195 LEU LYS ASP ASP THR GLY SER ILE ARG GLY THR LEU TRP SEQRES 5 A 195 ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY ASP ILE SEQRES 6 A 195 ALA GLU VAL SER GLY TYR VAL LYS GLN GLY GLY LEU GLU SEQRES 7 A 195 ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU SEQRES 8 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 9 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 195 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0E.PDB, MODEL/S 1 3E0E.PDB REMARK PdbStat -- SEQRES 1 A 195 MSE ASN TYR LYS ILE SER GLU LEU MSE PRO ASN LEU SER SEQRES 2 A 195 GLY THR ILE ASN ALA GLU VAL VAL THR ALA TYR PRO LYS SEQRES 3 A 195 LYS GLU PHE SER THR LYS GLY GLN LEU LYS SER LEU PHE SEQRES 4 A 195 LEU LYS ASP ASP THR GLY SER ILE ARG GLY THR LEU TRP SEQRES 5 A 195 ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY ASP ILE SEQRES 6 A 195 ALA GLU VAL SER GLY TYR VAL LYS GLN GLY GLY LEU GLU SEQRES 7 A 195 ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU SEQRES 8 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 9 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 195 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0E.PDB, MODEL/S 1 3E0E.PDB REMARK PdbStat -- SEQRES 1 A 195 MSE ASN TYR LYS ILE SER GLU LEU MSE PRO ASN LEU SER SEQRES 2 A 195 GLY THR ILE ASN ALA GLU VAL VAL THR ALA TYR PRO LYS SEQRES 3 A 195 LYS GLU PHE SER THR LYS GLY GLN LEU LYS SER LEU PHE SEQRES 4 A 195 LEU LYS ASP ASP THR GLY SER ILE ARG GLY THR LEU TRP SEQRES 5 A 195 ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY ASP ILE SEQRES 6 A 195 ALA GLU VAL SER GLY TYR VAL LYS GLN GLY GLY LEU GLU SEQRES 7 A 195 ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU SEQRES 8 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 9 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 195 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 195 MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3E0E.pdb HETATM 1 N MSE A 1 10.932 13.319 0.653 1.00 33.15 N HETATM 2 CA MSE A 1 9.537 13.836 0.739 1.00 32.76 C HETATM 3 C MSE A 1 8.721 12.947 1.663 1.00 31.28 C HETATM 4 O MSE A 1 9.077 11.797 1.907 1.00 31.38 O HETATM 5 CB MSE A 1 8.879 13.841 -0.645 1.00 33.72 C HETATM 6 CG MSE A 1 8.673 12.447 -1.234 1.00 38.07 C HETATM 7 SE MSE A 1 7.637 12.409 -2.876 1.00 43.47 HETATM 8 CE MSE A 1 5.882 12.118 -2.118 1.00 41.77 C HETATM 9 N MSE A 1 12.475 14.964 1.573 1.00 33.15 N HETATM 10 CA MSE A 1 11.080 15.480 1.658 1.00 32.76 C HETATM 11 C MSE A 1 10.264 14.591 2.582 1.00 31.28 C HETATM 12 O MSE A 1 10.620 13.441 2.827 1.00 31.38 O HETATM 13 CB MSE A 1 10.422 15.486 0.275 1.00 33.72 C HETATM 14 CG MSE A 1 10.216 14.091 -0.314 1.00 38.07 C HETATM 15 SE MSE A 1 9.180 14.053 -1.957 1.00 43.47 HETATM 16 CE MSE A 1 7.425 13.763 -1.198 1.00 41.77 C HETATM 17 N MSE A 1 12.778 16.194 1.187 1.00 33.15 N HETATM 18 CA MSE A 1 11.383 16.711 1.274 1.00 32.76 C HETATM 19 C MSE A 1 10.567 15.822 2.198 1.00 31.28 C HETATM 20 O MSE A 1 10.923 14.671 2.441 1.00 31.38 O HETATM 21 CB MSE A 1 10.725 16.716 -0.110 1.00 33.72 C HETATM 22 CG MSE A 1 10.519 15.322 -0.700 1.00 38.07 C HETATM 23 SE MSE A 1 9.483 15.284 -2.341 1.00 43.47 HETATM 24 CE MSE A 1 7.728 14.993 -1.584 1.00 41.77 C HETATM 25 N MSE A 1 11.223 8.241 0.616 1.00 33.15 N HETATM 26 CA MSE A 1 9.828 8.758 0.702 1.00 32.76 C HETATM 27 C MSE A 1 9.012 7.870 1.626 1.00 31.28 C HETATM 28 O MSE A 1 9.368 6.720 1.870 1.00 31.38 O HETATM 29 CB MSE A 1 9.170 8.763 -0.682 1.00 33.72 C HETATM 30 CG MSE A 1 8.964 7.370 -1.270 1.00 38.07 C HETATM 31 SE MSE A 1 7.928 7.331 -2.913 1.00 43.47 HETATM 32 CE MSE A 1 6.173 7.041 -2.155 1.00 41.77 C ATOM 33 N ASN A 2 7.919 8.407 2.149 1.00 29.97 N ATOM 34 CA ASN A 2 7.056 7.617 3.006 1.00 27.05 C ATOM 35 C ASN A 2 6.217 6.792 2.046 1.00 24.63 C ATOM 36 O ASN A 2 5.862 7.257 0.965 1.00 25.25 O ATOM 37 CB ASN A 2 6.180 8.526 3.866 1.00 29.42 C ATOM 38 CG ASN A 2 6.998 9.381 4.811 1.00 31.28 C ATOM 39 OD1 ASN A 2 7.827 8.869 5.567 1.00 34.08 O ATOM 40 ND2 ASN A 2 6.774 10.690 4.776 1.00 31.04 N ATOM 41 N TYR A 3 5.914 5.562 2.430 1.00 19.17 N ATOM 42 CA TYR A 3 5.149 4.679 1.569 1.00 17.04 C ATOM 43 C TYR A 3 3.737 4.415 2.032 1.00 15.37 C ATOM 44 O TYR A 3 3.434 4.471 3.222 1.00 13.90 O ATOM 45 CB TYR A 3 5.846 3.325 1.464 1.00 15.61 C ATOM 46 CG TYR A 3 7.045 3.292 0.555 1.00 15.67 C ATOM 47 CD1 TYR A 3 6.891 3.322 -0.828 1.00 18.04 C ATOM 48 CD2 TYR A 3 8.328 3.173 1.072 1.00 13.15 C ATOM 49 CE1 TYR A 3 7.987 3.223 -1.673 1.00 19.24 C ATOM 50 CE2 TYR A 3 9.433 3.071 0.234 1.00 15.96 C ATOM 51 CZ TYR A 3 9.252 3.090 -1.135 1.00 17.42 C ATOM 52 OH TYR A 3 10.328 2.927 -1.972 1.00 19.17 O ATOM 53 N LYS A 4 2.875 4.136 1.064 1.00 14.51 N ATOM 54 CA LYS A 4 1.509 3.752 1.360 1.00 13.04 C ATOM 55 C LYS A 4 1.665 2.239 1.360 1.00 12.82 C ATOM 56 O LYS A 4 2.521 1.700 0.651 1.00 11.71 O ATOM 57 CB LYS A 4 0.558 4.203 0.250 1.00 13.31 C ATOM 58 CG LYS A 4 0.299 5.705 0.229 1.00 18.01 C ATOM 59 CD LYS A 4 -0.418 6.151 1.500 1.00 19.85 C ATOM 60 CE LYS A 4 -0.784 7.628 1.466 1.00 23.63 C ATOM 61 NZ LYS A 4 -1.529 8.031 2.695 1.00 23.51 N ATOM 62 N ILE A 5 0.866 1.547 2.157 1.00 11.52 N ATOM 63 CA ILE A 5 0.969 0.101 2.235 1.00 11.91 C ATOM 64 C ILE A 5 0.823 -0.574 0.873 1.00 13.24 C ATOM 65 O ILE A 5 1.467 -1.584 0.610 1.00 12.04 O ATOM 66 CB ILE A 5 -0.069 -0.461 3.230 1.00 11.42 C ATOM 67 CG1 ILE A 5 0.296 -0.006 4.650 1.00 11.76 C ATOM 68 CG2 ILE A 5 -0.125 -1.978 3.138 1.00 12.79 C ATOM 69 CD1 ILE A 5 -0.739 -0.358 5.717 1.00 12.19 C ATOM 70 N SER A 6 -0.002 -0.002 -0.001 1.00 15.74 N ATOM 71 CA SER A 6 -0.203 -0.582 -1.328 1.00 13.82 C ATOM 72 C SER A 6 1.040 -0.477 -2.209 1.00 14.63 C ATOM 73 O SER A 6 1.152 -1.176 -3.216 1.00 16.32 O ATOM 74 CB SER A 6 -1.377 0.101 -2.032 1.00 14.45 C ATOM 75 OG SER A 6 -1.116 1.478 -2.252 1.00 16.03 O ATOM 76 N GLU A 7 1.974 0.391 -1.831 1.00 14.11 N ATOM 77 CA GLU A 7 3.188 0.582 -2.616 1.00 14.74 C ATOM 78 C GLU A 7 4.329 -0.322 -2.175 1.00 15.30 C ATOM 79 O GLU A 7 5.346 -0.426 -2.857 1.00 14.18 O ATOM 80 CB GLU A 7 3.635 2.044 -2.530 1.00 16.79 C ATOM 81 CG GLU A 7 2.550 3.035 -2.913 1.00 17.17 C ATOM 82 CD GLU A 7 3.004 4.479 -2.782 1.00 21.48 C ATOM 83 OE1 GLU A 7 3.502 4.854 -1.699 1.00 19.27 O ATOM 84 OE2 GLU A 7 2.856 5.243 -3.760 1.00 22.15 O ATOM 85 N LEU A 8 4.163 -0.979 -1.032 1.00 14.80 N ATOM 86 CA LEU A 8 5.207 -1.861 -0.523 1.00 15.40 C ATOM 87 C LEU A 8 5.495 -3.048 -1.439 1.00 16.80 C ATOM 88 O LEU A 8 4.597 -3.569 -2.101 1.00 18.23 O ATOM 89 CB LEU A 8 4.828 -2.369 0.870 1.00 14.08 C ATOM 90 CG LEU A 8 4.657 -1.284 1.935 1.00 13.72 C ATOM 91 CD1 LEU A 8 4.206 -1.928 3.235 1.00 14.70 C ATOM 92 CD2 LEU A 8 5.965 -0.526 2.126 1.00 14.92 C HETATM 93 N MSE A 9 6.760 -3.456 -1.470 1.00 16.90 N HETATM 94 CA MSE A 9 7.216 -4.586 -2.273 0.50 17.70 C HETATM 95 C MSE A 9 8.152 -5.431 -1.414 1.00 17.77 C HETATM 96 O MSE A 9 8.739 -4.940 -0.452 1.00 18.55 O HETATM 97 CB MSE A 9 7.989 -4.108 -3.509 0.50 17.47 C HETATM 98 CG MSE A 9 7.245 -3.151 -4.416 0.50 19.02 C HETATM 99 SE MSE A 9 8.239 -2.732 -5.870 0.50 18.97 HETATM 100 CE MSE A 9 7.492 -3.803 -7.099 0.50 20.62 C ATOM 101 N PRO A 10 8.303 -6.719 -1.751 1.00 19.19 N ATOM 102 CA PRO A 10 9.188 -7.602 -0.986 1.00 18.19 C ATOM 103 C PRO A 10 10.638 -7.131 -1.100 1.00 19.87 C ATOM 104 O PRO A 10 11.036 -6.580 -2.129 1.00 19.62 O ATOM 105 CB PRO A 10 8.979 -8.961 -1.651 1.00 19.40 C ATOM 106 CG PRO A 10 7.572 -8.871 -2.175 1.00 18.72 C ATOM 107 CD PRO A 10 7.543 -7.482 -2.755 1.00 18.73 C ATOM 108 N ASN A 11 11.417 -7.345 -0.046 1.00 19.44 N ATOM 109 CA ASN A 11 12.824 -6.955 -0.017 1.00 21.07 C ATOM 110 C ASN A 11 13.000 -5.441 -0.080 1.00 20.80 C ATOM 111 O ASN A 11 14.056 -4.937 -0.461 1.00 22.46 O ATOM 112 CB ASN A 11 13.580 -7.625 -1.168 1.00 22.18 C ATOM 113 CG ASN A 11 13.487 -9.142 -1.118 1.00 24.49 C ATOM 114 OD1 ASN A 11 13.894 -9.771 -0.141 1.00 25.55 O ATOM 115 ND2 ASN A 11 12.952 -9.736 -2.179 1.00 24.06 N ATOM 116 N LEU A 12 11.951 -4.725 0.300 1.00 20.53 N ATOM 117 CA LEU A 12 11.970 -3.274 0.312 1.00 18.63 C ATOM 118 C LEU A 12 12.049 -2.793 1.749 1.00 17.63 C ATOM 119 O LEU A 12 11.427 -3.371 2.639 1.00 16.84 O ATOM 120 CB LEU A 12 10.693 -2.718 -0.319 1.00 21.76 C ATOM 121 CG LEU A 12 10.410 -1.238 -0.060 1.00 22.42 C ATOM 122 CD1 LEU A 12 11.284 -0.381 -0.961 1.00 23.17 C ATOM 123 CD2 LEU A 12 8.940 -0.950 -0.316 1.00 22.87 C ATOM 124 N SER A 13 12.820 -1.739 1.976 1.00 15.42 N ATOM 125 CA SER A 13 12.931 -1.165 3.307 1.00 14.24 C ATOM 126 C SER A 13 12.383 0.248 3.226 1.00 14.22 C ATOM 127 O SER A 13 12.825 1.049 2.407 1.00 13.95 O ATOM 128 CB SER A 13 14.386 -1.151 3.771 1.00 17.63 C ATOM 129 OG SER A 13 14.809 -2.465 4.094 1.00 19.02 O ATOM 130 N GLY A 14 11.409 0.550 4.073 1.00 12.44 N ATOM 131 CA GLY A 14 10.824 1.871 4.047 1.00 12.56 C ATOM 132 C GLY A 14 10.036 2.184 5.296 1.00 13.04 C ATOM 133 O GLY A 14 10.080 1.445 6.283 1.00 13.36 O ATOM 134 N THR A 15 9.293 3.282 5.238 1.00 10.95 N ATOM 135 CA THR A 15 8.502 3.726 6.369 1.00 11.54 C ATOM 136 C THR A 15 7.065 3.947 5.928 1.00 11.54 C ATOM 137 O THR A 15 6.817 4.419 4.822 1.00 11.07 O ATOM 138 CB THR A 15 9.052 5.061 6.922 1.00 13.55 C ATOM 139 OG1 THR A 15 10.434 4.907 7.262 1.00 14.05 O ATOM 140 CG2 THR A 15 8.279 5.491 8.154 1.00 14.92 C ATOM 141 N ILE A 16 6.124 3.586 6.791 1.00 10.82 N ATOM 142 CA ILE A 16 4.709 3.797 6.512 1.00 9.52 C ATOM 143 C ILE A 16 4.109 4.442 7.751 1.00 10.71 C ATOM 144 O ILE A 16 4.584 4.211 8.864 1.00 10.07 O ATOM 145 CB ILE A 16 3.935 2.476 6.240 1.00 10.04 C ATOM 146 CG1 ILE A 16 4.064 1.522 7.436 1.00 9.68 C ATOM 147 CG2 ILE A 16 4.426 1.838 4.949 1.00 8.95 C ATOM 148 CD1 ILE A 16 3.166 0.301 7.334 1.00 10.60 C ATOM 149 N ASN A 17 3.088 5.269 7.554 1.00 8.79 N ATOM 150 CA ASN A 17 2.398 5.917 8.665 1.00 10.11 C ATOM 151 C ASN A 17 1.055 5.220 8.646 1.00 9.95 C ATOM 152 O ASN A 17 0.253 5.432 7.735 1.00 10.85 O ATOM 153 CB ASN A 17 2.230 7.417 8.409 1.00 7.95 C ATOM 154 CG ASN A 17 3.555 8.125 8.271 1.00 11.89 C ATOM 155 OD1 ASN A 17 4.575 7.660 8.779 1.00 12.56 O ATOM 156 ND2 ASN A 17 3.551 9.267 7.591 1.00 13.98 N ATOM 157 N ALA A 18 0.812 4.382 9.645 1.00 10.23 N ATOM 158 CA ALA A 18 -0.412 3.606 9.664 1.00 10.90 C ATOM 159 C ALA A 18 -1.080 3.446 11.014 1.00 10.84 C ATOM 160 O ALA A 18 -0.450 3.545 12.060 1.00 10.16 O ATOM 161 CB ALA A 18 -0.132 2.229 9.073 1.00 13.49 C ATOM 162 N GLU A 19 -2.378 3.171 10.957 1.00 11.79 N ATOM 163 CA GLU A 19 -3.199 2.954 12.134 1.00 10.47 C ATOM 164 C GLU A 19 -3.013 1.531 12.652 1.00 9.60 C ATOM 165 O GLU A 19 -2.984 0.576 11.876 1.00 10.20 O ATOM 166 CB GLU A 19 -4.673 3.169 11.768 1.00 13.16 C ATOM 167 CG GLU A 19 -5.658 2.624 12.788 1.00 16.80 C ATOM 168 CD GLU A 19 -7.088 2.627 12.281 1.00 18.73 C ATOM 169 OE1 GLU A 19 -7.970 2.124 13.007 1.00 20.64 O ATOM 170 OE2 GLU A 19 -7.334 3.124 11.160 1.00 18.80 O ATOM 171 N VAL A 20 -2.882 1.397 13.965 1.00 9.88 N ATOM 172 CA VAL A 20 -2.751 0.082 14.575 1.00 10.56 C ATOM 173 C VAL A 20 -4.190 -0.414 14.742 1.00 10.73 C ATOM 174 O VAL A 20 -4.938 0.088 15.576 1.00 12.17 O ATOM 175 CB VAL A 20 -2.051 0.172 15.951 1.00 10.15 C ATOM 176 CG1 VAL A 20 -1.998 -1.211 16.596 1.00 11.88 C ATOM 177 CG2 VAL A 20 -0.638 0.735 15.777 1.00 10.45 C ATOM 178 N VAL A 21 -4.578 -1.376 13.910 1.00 12.64 N ATOM 179 CA VAL A 21 -5.927 -1.936 13.946 1.00 15.45 C ATOM 180 C VAL A 21 -6.017 -3.010 15.014 1.00 16.70 C ATOM 181 O VAL A 21 -7.074 -3.241 15.610 1.00 17.73 O ATOM 182 CB VAL A 21 -6.294 -2.558 12.591 1.00 17.36 C ATOM 183 CG1 VAL A 21 -7.694 -3.164 12.655 1.00 19.18 C ATOM 184 CG2 VAL A 21 -6.209 -1.502 11.501 1.00 18.85 C ATOM 185 N THR A 22 -4.900 -3.680 15.252 1.00 16.83 N ATOM 186 CA THR A 22 -4.864 -4.722 16.258 1.00 18.99 C ATOM 187 C THR A 22 -3.450 -4.889 16.773 1.00 17.94 C ATOM 188 O THR A 22 -2.482 -4.663 16.052 1.00 13.11 O ATOM 189 CB THR A 22 -5.336 -6.076 15.693 1.00 21.94 C ATOM 190 OG1 THR A 22 -6.615 -5.920 15.067 1.00 27.91 O ATOM 191 CG2 THR A 22 -5.460 -7.097 16.815 1.00 25.79 C ATOM 192 N ALA A 23 -3.348 -5.267 18.039 1.00 18.05 N ATOM 193 CA ALA A 23 -2.067 -5.507 18.681 1.00 17.94 C ATOM 194 C ALA A 23 -2.263 -6.847 19.378 1.00 17.89 C ATOM 195 O ALA A 23 -3.136 -6.982 20.230 1.00 20.21 O ATOM 196 CB ALA A 23 -1.768 -4.410 19.691 1.00 18.39 C ATOM 197 N TYR A 24 -1.473 -7.845 18.999 1.00 17.84 N ATOM 198 CA TYR A 24 -1.620 -9.167 19.590 1.00 16.88 C ATOM 199 C TYR A 24 -0.723 -9.383 20.799 1.00 16.45 C ATOM 200 O TYR A 24 0.215 -8.625 21.032 1.00 15.27 O ATOM 201 CB TYR A 24 -1.363 -10.236 18.525 1.00 19.12 C ATOM 202 CG TYR A 24 -2.283 -10.084 17.337 1.00 22.30 C ATOM 203 CD1 TYR A 24 -1.903 -9.333 16.229 1.00 23.11 C ATOM 204 CD2 TYR A 24 -3.564 -10.637 17.351 1.00 24.50 C ATOM 205 CE1 TYR A 24 -2.774 -9.128 15.165 1.00 23.83 C ATOM 206 CE2 TYR A 24 -4.445 -10.439 16.293 1.00 24.84 C ATOM 207 CZ TYR A 24 -4.044 -9.683 15.203 1.00 24.61 C ATOM 208 OH TYR A 24 -4.915 -9.465 14.160 1.00 26.38 O ATOM 209 N PRO A 25 -1.022 -10.414 21.601 1.00 14.74 N ATOM 210 CA PRO A 25 -0.230 -10.715 22.795 1.00 14.76 C ATOM 211 C PRO A 25 1.219 -11.026 22.462 1.00 12.60 C ATOM 212 O PRO A 25 1.505 -11.737 21.497 1.00 12.72 O ATOM 213 CB PRO A 25 -0.946 -11.921 23.386 1.00 15.09 C ATOM 214 CG PRO A 25 -2.364 -11.707 22.976 1.00 15.02 C ATOM 215 CD PRO A 25 -2.222 -11.266 21.545 1.00 14.83 C ATOM 216 N LYS A 26 2.126 -10.490 23.272 1.00 13.87 N ATOM 217 CA LYS A 26 3.552 -10.709 23.090 1.00 12.50 C ATOM 218 C LYS A 26 3.886 -12.175 23.351 1.00 12.96 C ATOM 219 O LYS A 26 3.322 -12.802 24.251 1.00 13.28 O ATOM 220 CB LYS A 26 4.343 -9.819 24.056 1.00 13.12 C ATOM 221 CG LYS A 26 5.844 -9.918 23.919 1.00 15.42 C ATOM 222 CD LYS A 26 6.565 -9.052 24.945 1.00 15.68 C ATOM 223 CE LYS A 26 6.252 -9.465 26.379 1.00 16.65 C ATOM 224 NZ LYS A 26 7.218 -8.861 27.354 1.00 16.20 N ATOM 225 N LYS A 27 4.801 -12.716 22.556 1.00 10.56 N ATOM 226 CA LYS A 27 5.225 -14.104 22.702 1.00 12.42 C ATOM 227 C LYS A 27 6.710 -14.118 23.032 1.00 12.59 C ATOM 228 O LYS A 27 7.510 -13.521 22.317 1.00 12.81 O ATOM 229 CB LYS A 27 4.964 -14.861 21.400 1.00 14.36 C ATOM 230 CG LYS A 27 3.494 -14.879 20.999 1.00 18.62 C ATOM 231 CD LYS A 27 3.305 -15.378 19.580 1.00 22.65 C ATOM 232 CE LYS A 27 1.832 -15.427 19.202 1.00 24.41 C ATOM 233 NZ LYS A 27 1.189 -14.089 19.339 1.00 26.97 N ATOM 234 N GLU A 28 7.079 -14.792 24.119 1.00 12.63 N ATOM 235 CA GLU A 28 8.473 -14.864 24.525 1.00 14.44 C ATOM 236 C GLU A 28 9.017 -16.250 24.272 1.00 13.91 C ATOM 237 O GLU A 28 8.297 -17.240 24.393 1.00 16.77 O ATOM 238 CB GLU A 28 8.617 -14.510 26.000 1.00 16.70 C ATOM 239 CG GLU A 28 8.233 -13.084 26.299 1.00 20.67 C ATOM 240 CD GLU A 28 8.697 -12.646 27.660 1.00 22.19 C ATOM 241 OE1 GLU A 28 9.885 -12.868 27.975 1.00 24.65 O ATOM 242 OE2 GLU A 28 7.879 -12.077 28.409 1.00 22.18 O ATOM 243 N PHE A 29 10.300 -16.320 23.941 1.00 12.70 N ATOM 244 CA PHE A 29 10.915 -17.598 23.629 1.00 12.36 C ATOM 245 C PHE A 29 12.432 -17.538 23.735 1.00 14.75 C ATOM 246 O PHE A 29 13.001 -16.502 24.063 1.00 14.15 O ATOM 247 CB PHE A 29 10.504 -17.991 22.212 1.00 10.88 C ATOM 248 CG PHE A 29 10.790 -16.928 21.191 1.00 11.32 C ATOM 249 CD1 PHE A 29 11.994 -16.914 20.501 1.00 11.34 C ATOM 250 CD2 PHE A 29 9.868 -15.917 20.941 1.00 11.54 C ATOM 251 CE1 PHE A 29 12.278 -15.913 19.574 1.00 13.89 C ATOM 252 CE2 PHE A 29 10.145 -14.908 20.017 1.00 12.82 C ATOM 253 CZ PHE A 29 11.351 -14.907 19.334 1.00 13.34 C ATOM 254 N SER A 30 13.077 -18.666 23.455 1.00 18.81 N ATOM 255 CA SER A 30 14.533 -18.755 23.489 1.00 23.49 C ATOM 256 C SER A 30 15.045 -19.119 22.104 1.00 26.31 C ATOM 257 O SER A 30 14.366 -19.819 21.351 1.00 26.79 O ATOM 258 CB SER A 30 14.987 -19.816 24.494 1.00 25.26 C ATOM 259 OG SER A 30 14.747 -19.395 25.823 1.00 26.99 O ATOM 260 N THR A 35 19.780 -15.840 23.218 1.00 33.90 N ATOM 261 CA THR A 35 19.314 -16.706 24.292 1.00 32.87 C ATOM 262 C THR A 35 17.934 -16.268 24.771 1.00 31.63 C ATOM 263 O THR A 35 17.280 -16.973 25.542 1.00 33.07 O ATOM 264 CB THR A 35 20.301 -16.677 25.448 1.00 34.75 C ATOM 265 N LYS A 36 17.498 -15.099 24.308 1.00 28.73 N ATOM 266 CA LYS A 36 16.197 -14.584 24.694 1.00 25.43 C ATOM 267 C LYS A 36 15.579 -13.724 23.607 1.00 22.48 C ATOM 268 O LYS A 36 16.208 -12.788 23.115 1.00 24.00 O ATOM 269 N GLY A 37 14.345 -14.042 23.225 1.00 18.13 N ATOM 270 CA GLY A 37 13.675 -13.272 22.191 1.00 15.77 C ATOM 271 C GLY A 37 12.207 -13.029 22.489 1.00 14.20 C ATOM 272 O GLY A 37 11.618 -13.694 23.339 1.00 12.79 O ATOM 273 N GLN A 38 11.621 -12.061 21.789 1.00 13.85 N ATOM 274 CA GLN A 38 10.210 -11.720 21.955 1.00 13.60 C ATOM 275 C GLN A 38 9.617 -11.324 20.619 1.00 11.06 C ATOM 276 O GLN A 38 10.333 -10.918 19.709 1.00 10.89 O ATOM 277 CB GLN A 38 10.025 -10.518 22.882 1.00 16.17 C ATOM 278 CG GLN A 38 10.616 -10.630 24.251 1.00 18.58 C ATOM 279 CD GLN A 38 10.126 -9.517 25.147 1.00 17.27 C ATOM 280 OE1 GLN A 38 10.292 -8.327 24.844 1.00 19.14 O ATOM 281 NE2 GLN A 38 9.509 -9.890 26.254 1.00 17.09 N ATOM 282 N LEU A 39 8.297 -11.432 20.520 1.00 9.84 N ATOM 283 CA LEU A 39 7.572 -11.048 19.313 1.00 11.05 C ATOM 284 C LEU A 39 6.224 -10.462 19.687 1.00 11.03 C ATOM 285 O LEU A 39 5.506 -11.016 20.514 1.00 10.38 O ATOM 286 CB LEU A 39 7.340 -12.257 18.386 1.00 10.55 C ATOM 287 CG LEU A 39 6.396 -12.097 17.176 1.00 14.23 C ATOM 288 CD1 LEU A 39 4.948 -12.060 17.639 1.00 15.42 C ATOM 289 CD2 LEU A 39 6.752 -10.856 16.375 1.00 10.95 C ATOM 290 N LYS A 40 5.882 -9.340 19.067 1.00 11.23 N ATOM 291 CA LYS A 40 4.589 -8.711 19.282 1.00 10.47 C ATOM 292 C LYS A 40 4.117 -8.364 17.876 1.00 9.97 C ATOM 293 O LYS A 40 4.770 -7.590 17.175 1.00 10.73 O ATOM 294 CB LYS A 40 4.730 -7.434 20.121 1.00 12.88 C ATOM 295 CG LYS A 40 3.680 -7.277 21.222 1.00 19.68 C ATOM 296 CD LYS A 40 2.783 -6.062 21.014 1.00 15.97 C ATOM 297 CE LYS A 40 3.523 -4.739 21.185 1.00 16.90 C ATOM 298 NZ LYS A 40 3.427 -4.184 22.573 1.00 15.97 N ATOM 299 N SER A 41 3.013 -8.965 17.445 1.00 9.65 N ATOM 300 CA SER A 41 2.482 -8.687 16.120 1.00 11.28 C ATOM 301 C SER A 41 1.455 -7.562 16.146 1.00 9.76 C ATOM 302 O SER A 41 0.692 -7.417 17.101 1.00 11.27 O ATOM 303 CB SER A 41 1.835 -9.941 15.524 1.00 11.78 C ATOM 304 OG SER A 41 2.781 -10.986 15.386 1.00 17.58 O ATOM 305 N LEU A 42 1.445 -6.771 15.080 1.00 8.82 N ATOM 306 CA LEU A 42 0.507 -5.668 14.936 1.00 11.34 C ATOM 307 C LEU A 42 -0.157 -5.793 13.580 1.00 10.58 C ATOM 308 O LEU A 42 0.437 -6.319 12.643 1.00 11.47 O ATOM 309 CB LEU A 42 1.228 -4.316 14.961 1.00 11.28 C ATOM 310 CG LEU A 42 2.089 -3.942 16.164 1.00 11.42 C ATOM 311 CD1 LEU A 42 2.650 -2.529 15.976 1.00 11.74 C ATOM 312 CD2 LEU A 42 1.252 -4.027 17.422 1.00 12.58 C ATOM 313 N PHE A 43 -1.401 -5.345 13.479 1.00 9.27 N ATOM 314 CA PHE A 43 -2.049 -5.338 12.183 1.00 10.60 C ATOM 315 C PHE A 43 -2.175 -3.852 11.899 1.00 10.04 C ATOM 316 O PHE A 43 -2.812 -3.116 12.648 1.00 10.69 O ATOM 317 CB PHE A 43 -3.420 -6.010 12.203 1.00 14.87 C ATOM 318 CG PHE A 43 -3.921 -6.354 10.832 1.00 19.00 C ATOM 319 CD1 PHE A 43 -5.016 -5.698 10.287 1.00 20.88 C ATOM 320 CD2 PHE A 43 -3.255 -7.303 10.061 1.00 20.68 C ATOM 321 CE1 PHE A 43 -5.444 -5.979 8.990 1.00 23.04 C ATOM 322 CE2 PHE A 43 -3.673 -7.591 8.764 1.00 24.76 C ATOM 323 CZ PHE A 43 -4.770 -6.927 8.227 1.00 24.01 C ATOM 324 N LEU A 44 -1.535 -3.421 10.821 1.00 11.30 N ATOM 325 CA LEU A 44 -1.500 -2.014 10.443 1.00 9.54 C ATOM 326 C LEU A 44 -2.336 -1.723 9.214 1.00 10.71 C ATOM 327 O LEU A 44 -2.441 -2.555 8.319 1.00 10.64 O ATOM 328 CB LEU A 44 -0.051 -1.622 10.183 1.00 9.11 C ATOM 329 CG LEU A 44 0.890 -1.895 11.361 1.00 9.08 C ATOM 330 CD1 LEU A 44 2.325 -1.841 10.885 1.00 11.29 C ATOM 331 CD2 LEU A 44 0.640 -0.882 12.468 1.00 12.86 C ATOM 332 N LYS A 45 -2.911 -0.527 9.161 1.00 10.61 N ATOM 333 CA LYS A 45 -3.741 -0.152 8.027 1.00 13.56 C ATOM 334 C LYS A 45 -3.661 1.331 7.705 1.00 12.58 C ATOM 335 O LYS A 45 -3.496 2.157 8.597 1.00 11.93 O ATOM 336 CB LYS A 45 -5.207 -0.502 8.317 1.00 17.56 C ATOM 337 CG LYS A 45 -6.169 -0.099 7.201 1.00 21.29 C ATOM 338 CD LYS A 45 -7.634 -0.319 7.567 1.00 24.56 C ATOM 339 CE LYS A 45 -8.116 0.676 8.613 1.00 27.36 C ATOM 340 NZ LYS A 45 -9.600 0.627 8.797 1.00 27.69 N ATOM 341 N ASP A 46 -3.738 1.661 6.420 1.00 11.99 N ATOM 342 CA ASP A 46 -3.790 3.055 5.996 1.00 12.83 C ATOM 343 C ASP A 46 -4.900 3.121 4.957 1.00 13.41 C ATOM 344 O ASP A 46 -5.660 2.161 4.830 1.00 13.33 O ATOM 345 CB ASP A 46 -2.441 3.583 5.455 1.00 13.72 C ATOM 346 CG ASP A 46 -1.947 2.874 4.205 1.00 12.08 C ATOM 347 OD1 ASP A 46 -2.712 2.176 3.511 1.00 12.39 O ATOM 348 OD2 ASP A 46 -0.750 3.052 3.903 1.00 13.74 O ATOM 349 N ASP A 47 -5.019 4.226 4.228 1.00 14.39 N ATOM 350 CA ASP A 47 -6.098 4.341 3.254 1.00 16.00 C ATOM 351 C ASP A 47 -5.930 3.518 1.982 1.00 16.85 C ATOM 352 O ASP A 47 -6.792 3.561 1.105 1.00 17.21 O ATOM 353 CB ASP A 47 -6.334 5.813 2.883 1.00 18.43 C ATOM 354 CG ASP A 47 -5.105 6.479 2.291 1.00 22.76 C ATOM 355 OD1 ASP A 47 -5.215 7.650 1.861 1.00 23.36 O ATOM 356 OD2 ASP A 47 -4.031 5.844 2.254 1.00 24.55 O ATOM 357 N THR A 48 -4.845 2.752 1.888 1.00 13.53 N ATOM 358 CA THR A 48 -4.590 1.942 0.699 1.00 13.41 C ATOM 359 C THR A 48 -4.524 0.441 0.949 1.00 14.44 C ATOM 360 O THR A 48 -4.549 -0.349 0.006 1.00 15.89 O ATOM 361 CB THR A 48 -3.270 2.348 0.013 1.00 14.62 C ATOM 362 OG1 THR A 48 -2.162 1.956 0.835 1.00 11.80 O ATOM 363 CG2 THR A 48 -3.226 3.848 -0.212 1.00 14.49 C ATOM 364 N GLY A 49 -4.423 0.037 2.208 1.00 15.48 N ATOM 365 CA GLY A 49 -4.356 -1.382 2.495 1.00 15.15 C ATOM 366 C GLY A 49 -3.980 -1.699 3.924 1.00 15.41 C ATOM 367 O GLY A 49 -3.984 -0.822 4.786 1.00 13.69 O ATOM 368 N SER A 50 -3.653 -2.961 4.171 1.00 13.10 N ATOM 369 CA SER A 50 -3.279 -3.407 5.502 1.00 13.45 C ATOM 370 C SER A 50 -2.101 -4.368 5.409 1.00 14.22 C ATOM 371 O SER A 50 -1.885 -5.008 4.377 1.00 13.34 O ATOM 372 CB SER A 50 -4.461 -4.104 6.171 1.00 16.37 C ATOM 373 OG SER A 50 -4.857 -5.243 5.427 1.00 18.68 O ATOM 374 N ILE A 51 -1.343 -4.472 6.491 1.00 11.73 N ATOM 375 CA ILE A 51 -0.189 -5.354 6.510 1.00 11.66 C ATOM 376 C ILE A 51 0.165 -5.709 7.949 1.00 12.13 C ATOM 377 O ILE A 51 -0.103 -4.935 8.866 1.00 7.62 O ATOM 378 CB ILE A 51 1.013 -4.664 5.842 1.00 11.30 C ATOM 379 CG1 ILE A 51 2.186 -5.639 5.712 1.00 11.48 C ATOM 380 CG2 ILE A 51 1.423 -3.440 6.659 1.00 10.34 C ATOM 381 CD1 ILE A 51 3.338 -5.086 4.914 1.00 10.87 C ATOM 382 N ARG A 52 0.748 -6.888 8.139 1.00 10.58 N ATOM 383 CA ARG A 52 1.158 -7.338 9.462 1.00 12.13 C ATOM 384 C ARG A 52 2.521 -6.736 9.771 1.00 11.64 C ATOM 385 O ARG A 52 3.384 -6.670 8.902 1.00 11.73 O ATOM 386 CB ARG A 52 1.269 -8.864 9.491 1.00 13.09 C ATOM 387 CG ARG A 52 1.698 -9.438 10.830 1.00 17.10 C ATOM 388 CD ARG A 52 2.191 -10.861 10.663 1.00 19.74 C ATOM 389 NE ARG A 52 2.411 -11.525 11.941 1.00 21.24 N ATOM 390 CZ ARG A 52 3.298 -12.496 12.139 1.00 21.07 C ATOM 391 NH1 ARG A 52 4.062 -12.921 11.141 1.00 22.38 N ATOM 392 NH2 ARG A 52 3.417 -13.046 13.339 1.00 22.75 N ATOM 393 N GLY A 53 2.698 -6.286 11.008 1.00 10.29 N ATOM 394 CA GLY A 53 3.970 -5.725 11.422 1.00 9.27 C ATOM 395 C GLY A 53 4.502 -6.567 12.561 1.00 9.57 C ATOM 396 O GLY A 53 3.732 -6.976 13.426 1.00 11.09 O ATOM 397 N THR A 54 5.802 -6.847 12.568 1.00 9.47 N ATOM 398 CA THR A 54 6.377 -7.649 13.637 1.00 8.70 C ATOM 399 C THR A 54 7.412 -6.878 14.458 1.00 9.39 C ATOM 400 O THR A 54 8.430 -6.413 13.939 1.00 9.19 O ATOM 401 CB THR A 54 7.012 -8.949 13.091 1.00 10.48 C ATOM 402 OG1 THR A 54 7.996 -8.635 12.099 1.00 10.20 O ATOM 403 CG2 THR A 54 5.941 -9.838 12.471 1.00 8.23 C ATOM 404 N LEU A 55 7.116 -6.737 15.744 1.00 8.74 N ATOM 405 CA LEU A 55 7.985 -6.048 16.690 1.00 9.44 C ATOM 406 C LEU A 55 8.811 -7.133 17.359 1.00 9.78 C ATOM 407 O LEU A 55 8.257 -8.053 17.956 1.00 6.40 O ATOM 408 CB LEU A 55 7.145 -5.316 17.738 1.00 8.44 C ATOM 409 CG LEU A 55 6.258 -4.160 17.267 1.00 9.93 C ATOM 410 CD1 LEU A 55 5.332 -3.746 18.393 1.00 7.26 C ATOM 411 CD2 LEU A 55 7.120 -2.987 16.809 1.00 9.32 C ATOM 412 N TRP A 56 10.131 -7.031 17.261 1.00 10.54 N ATOM 413 CA TRP A 56 10.996 -8.048 17.841 1.00 8.99 C ATOM 414 C TRP A 56 11.765 -7.600 19.070 1.00 10.79 C ATOM 415 O TRP A 56 12.102 -6.424 19.226 1.00 12.45 O ATOM 416 CB TRP A 56 12.002 -8.555 16.801 1.00 9.31 C ATOM 417 CG TRP A 56 11.369 -9.117 15.573 1.00 10.13 C ATOM 418 CD1 TRP A 56 11.160 -8.472 14.389 1.00 10.75 C ATOM 419 CD2 TRP A 56 10.856 -10.441 15.409 1.00 10.66 C ATOM 420 NE1 TRP A 56 10.549 -9.316 13.494 1.00 12.28 N ATOM 421 CE2 TRP A 56 10.350 -10.531 14.094 1.00 12.86 C ATOM 422 CE3 TRP A 56 10.774 -11.563 16.245 1.00 11.78 C ATOM 423 CZ2 TRP A 56 9.769 -11.700 13.593 1.00 11.79 C ATOM 424 CZ3 TRP A 56 10.196 -12.729 15.747 1.00 11.05 C ATOM 425 CH2 TRP A 56 9.701 -12.784 14.432 1.00 12.09 C ATOM 426 N ASN A 57 12.027 -8.567 19.938 1.00 11.11 N ATOM 427 CA ASN A 57 12.780 -8.361 21.160 1.00 13.44 C ATOM 428 C ASN A 57 12.318 -7.140 21.961 1.00 13.12 C ATOM 429 O ASN A 57 11.157 -7.081 22.355 1.00 13.26 O ATOM 430 CB ASN A 57 14.265 -8.298 20.806 1.00 15.24 C ATOM 431 CG ASN A 57 14.689 -9.458 19.910 1.00 17.35 C ATOM 432 OD1 ASN A 57 14.262 -10.600 20.111 1.00 18.90 O ATOM 433 ND2 ASN A 57 15.527 -9.170 18.920 1.00 17.93 N ATOM 434 N GLU A 58 13.191 -6.167 22.209 1.00 14.76 N ATOM 435 CA GLU A 58 12.774 -5.007 22.997 1.00 14.16 C ATOM 436 C GLU A 58 11.596 -4.220 22.420 1.00 13.18 C ATOM 437 O GLU A 58 10.779 -3.689 23.167 1.00 12.81 O ATOM 438 CB GLU A 58 13.946 -4.050 23.237 1.00 16.79 C ATOM 439 CG GLU A 58 14.601 -3.526 21.980 1.00 19.20 C ATOM 440 CD GLU A 58 15.900 -4.236 21.681 1.00 19.85 C ATOM 441 OE1 GLU A 58 16.951 -3.560 21.669 1.00 20.30 O ATOM 442 OE2 GLU A 58 15.873 -5.465 21.464 1.00 20.38 O ATOM 443 N LEU A 59 11.493 -4.131 21.098 1.00 10.14 N ATOM 444 CA LEU A 59 10.376 -3.390 20.532 1.00 11.48 C ATOM 445 C LEU A 59 9.048 -4.091 20.799 1.00 10.95 C ATOM 446 O LEU A 59 7.985 -3.513 20.604 1.00 11.64 O ATOM 447 CB LEU A 59 10.572 -3.180 19.030 1.00 12.76 C ATOM 448 CG LEU A 59 11.666 -2.172 18.676 1.00 13.89 C ATOM 449 CD1 LEU A 59 11.701 -1.974 17.171 1.00 16.26 C ATOM 450 CD2 LEU A 59 11.392 -0.847 19.376 1.00 14.34 C ATOM 451 N ALA A 60 9.102 -5.341 21.247 1.00 11.06 N ATOM 452 CA ALA A 60 7.873 -6.062 21.538 1.00 11.23 C ATOM 453 C ALA A 60 7.216 -5.468 22.778 1.00 11.68 C ATOM 454 O ALA A 60 6.052 -5.736 23.063 1.00 12.61 O ATOM 455 CB ALA A 60 8.163 -7.545 21.751 1.00 12.54 C ATOM 456 N ASP A 61 7.972 -4.664 23.522 1.00 10.32 N ATOM 457 CA ASP A 61 7.443 -4.027 24.721 1.00 10.94 C ATOM 458 C ASP A 61 7.118 -2.557 24.490 1.00 13.52 C ATOM 459 O ASP A 61 6.769 -1.834 25.427 1.00 14.70 O ATOM 460 CB ASP A 61 8.429 -4.180 25.879 1.00 9.24 C ATOM 461 CG ASP A 61 8.345 -5.548 26.527 1.00 10.53 C ATOM 462 OD1 ASP A 61 9.396 -6.091 26.921 1.00 11.80 O ATOM 463 OD2 ASP A 61 7.218 -6.081 26.645 1.00 11.96 O ATOM 464 N PHE A 62 7.228 -2.117 23.240 1.00 13.27 N ATOM 465 CA PHE A 62 6.916 -0.734 22.897 1.00 13.95 C ATOM 466 C PHE A 62 5.441 -0.473 23.212 1.00 14.94 C ATOM 467 O PHE A 62 4.575 -1.276 22.861 1.00 14.48 O ATOM 468 CB PHE A 62 7.172 -0.492 21.412 1.00 11.95 C ATOM 469 CG PHE A 62 6.998 0.937 20.999 1.00 12.64 C ATOM 470 CD1 PHE A 62 8.005 1.864 21.222 1.00 13.03 C ATOM 471 CD2 PHE A 62 5.820 1.356 20.395 1.00 12.56 C ATOM 472 CE1 PHE A 62 7.839 3.200 20.847 1.00 13.12 C ATOM 473 CE2 PHE A 62 5.645 2.680 20.018 1.00 11.61 C ATOM 474 CZ PHE A 62 6.654 3.603 20.244 1.00 10.57 C ATOM 475 N GLU A 63 5.155 0.647 23.871 1.00 17.02 N ATOM 476 CA GLU A 63 3.780 0.974 24.223 1.00 19.65 C ATOM 477 C GLU A 63 2.979 1.443 23.014 1.00 18.56 C ATOM 478 O GLU A 63 3.095 2.587 22.579 1.00 17.94 O ATOM 479 CB GLU A 63 3.748 2.042 25.324 1.00 24.18 C ATOM 480 CG GLU A 63 4.494 3.322 24.982 1.00 29.36 C ATOM 481 CD GLU A 63 4.341 4.402 26.041 1.00 32.49 C ATOM 482 OE1 GLU A 63 4.807 4.195 27.183 1.00 35.31 O ATOM 483 OE2 GLU A 63 3.750 5.458 25.728 1.00 33.41 O ATOM 484 N VAL A 64 2.167 0.541 22.476 1.00 18.68 N ATOM 485 CA VAL A 64 1.322 0.824 21.323 1.00 19.13 C ATOM 486 C VAL A 64 -0.088 0.366 21.660 1.00 18.59 C ATOM 487 O VAL A 64 -0.274 -0.671 22.296 1.00 18.89 O ATOM 488 CB VAL A 64 1.818 0.079 20.062 1.00 20.55 C ATOM 489 CG1 VAL A 64 0.650 -0.236 19.135 1.00 22.24 C ATOM 490 CG2 VAL A 64 2.827 0.937 19.330 1.00 22.97 C ATOM 491 N LYS A 65 -1.077 1.141 21.230 1.00 16.95 N ATOM 492 CA LYS A 65 -2.467 0.819 21.511 1.00 18.16 C ATOM 493 C LYS A 65 -3.275 0.840 20.223 1.00 16.69 C ATOM 494 O LYS A 65 -2.901 1.509 19.258 1.00 15.60 O ATOM 495 CB LYS A 65 -3.030 1.847 22.497 1.00 18.44 C ATOM 496 CG LYS A 65 -2.123 2.067 23.709 1.00 22.32 C ATOM 497 CD LYS A 65 -2.341 3.423 24.369 1.00 23.97 C ATOM 498 CE LYS A 65 -1.202 3.747 25.336 1.00 26.20 C ATOM 499 NZ LYS A 65 -1.299 5.119 25.916 1.00 29.42 N ATOM 500 N LYS A 66 -4.371 0.093 20.202 1.00 15.31 N ATOM 501 CA LYS A 66 -5.230 0.068 19.028 1.00 14.73 C ATOM 502 C LYS A 66 -5.732 1.488 18.822 1.00 13.81 C ATOM 503 O LYS A 66 -6.119 2.163 19.775 1.00 13.93 O ATOM 504 CB LYS A 66 -6.413 -0.877 19.244 1.00 15.39 C ATOM 505 CG LYS A 66 -7.474 -0.796 18.153 1.00 15.53 C ATOM 506 CD LYS A 66 -8.603 -1.781 18.406 1.00 16.23 C ATOM 507 CE LYS A 66 -9.738 -1.590 17.409 1.00 19.15 C ATOM 508 NZ LYS A 66 -9.284 -1.691 15.990 1.00 16.39 N ATOM 509 N GLY A 67 -5.714 1.942 17.576 1.00 12.64 N ATOM 510 CA GLY A 67 -6.161 3.289 17.285 1.00 12.56 C ATOM 511 C GLY A 67 -5.004 4.254 17.104 1.00 11.52 C ATOM 512 O GLY A 67 -5.157 5.307 16.471 1.00 10.29 O ATOM 513 N ASP A 68 -3.845 3.915 17.664 1.00 9.24 N ATOM 514 CA ASP A 68 -2.674 4.775 17.519 1.00 10.35 C ATOM 515 C ASP A 68 -2.256 4.813 16.061 1.00 9.32 C ATOM 516 O ASP A 68 -2.395 3.823 15.337 1.00 7.84 O ATOM 517 CB ASP A 68 -1.472 4.249 18.318 1.00 10.77 C ATOM 518 CG ASP A 68 -1.605 4.461 19.810 1.00 15.16 C ATOM 519 OD1 ASP A 68 -2.447 5.279 20.236 1.00 16.91 O ATOM 520 OD2 ASP A 68 -0.839 3.815 20.560 1.00 16.93 O ATOM 521 N ILE A 69 -1.745 5.963 15.635 1.00 9.32 N ATOM 522 CA ILE A 69 -1.242 6.111 14.278 1.00 9.71 C ATOM 523 C ILE A 69 0.266 6.124 14.487 1.00 8.70 C ATOM 524 O ILE A 69 0.809 6.993 15.172 1.00 8.30 O ATOM 525 CB ILE A 69 -1.717 7.417 13.626 1.00 10.97 C ATOM 526 CG1 ILE A 69 -3.247 7.448 13.613 1.00 12.83 C ATOM 527 CG2 ILE A 69 -1.180 7.506 12.201 1.00 10.52 C ATOM 528 CD1 ILE A 69 -3.845 8.679 12.997 1.00 18.33 C ATOM 529 N ALA A 70 0.941 5.142 13.907 1.00 9.12 N ATOM 530 CA ALA A 70 2.370 5.026 14.099 1.00 10.54 C ATOM 531 C ALA A 70 3.215 5.142 12.848 1.00 9.96 C ATOM 532 O ALA A 70 2.765 4.841 11.741 1.00 9.01 O ATOM 533 CB ALA A 70 2.669 3.698 14.795 1.00 12.79 C ATOM 534 N GLU A 71 4.449 5.596 13.050 1.00 8.70 N ATOM 535 CA GLU A 71 5.423 5.706 11.978 1.00 10.89 C ATOM 536 C GLU A 71 6.232 4.433 12.144 1.00 9.96 C ATOM 537 O GLU A 71 6.961 4.276 13.120 1.00 10.21 O ATOM 538 CB GLU A 71 6.324 6.920 12.179 1.00 12.56 C ATOM 539 CG GLU A 71 7.238 7.173 10.995 1.00 17.81 C ATOM 540 CD GLU A 71 8.026 8.457 11.131 1.00 19.68 C ATOM 541 OE1 GLU A 71 8.668 8.864 10.139 1.00 23.61 O ATOM 542 OE2 GLU A 71 8.003 9.058 12.225 1.00 21.11 O ATOM 543 N VAL A 72 6.086 3.522 11.192 1.00 8.38 N ATOM 544 CA VAL A 72 6.768 2.239 11.245 1.00 9.14 C ATOM 545 C VAL A 72 7.792 2.101 10.134 1.00 8.75 C ATOM 546 O VAL A 72 7.442 2.154 8.963 1.00 10.43 O ATOM 547 CB VAL A 72 5.755 1.080 11.106 1.00 10.29 C ATOM 548 CG1 VAL A 72 6.472 -0.244 11.198 1.00 10.27 C ATOM 549 CG2 VAL A 72 4.679 1.185 12.179 1.00 11.66 C ATOM 550 N SER A 73 9.054 1.917 10.506 1.00 10.26 N ATOM 551 CA SER A 73 10.124 1.758 9.530 1.00 11.26 C ATOM 552 C SER A 73 10.620 0.325 9.613 1.00 10.99 C ATOM 553 O SER A 73 10.834 -0.192 10.702 1.00 11.92 O ATOM 554 CB SER A 73 11.273 2.716 9.839 1.00 12.64 C ATOM 555 OG SER A 73 10.829 4.058 9.825 1.00 16.30 O ATOM 556 N GLY A 74 10.800 -0.319 8.468 1.00 11.43 N ATOM 557 CA GLY A 74 11.259 -1.689 8.504 1.00 10.74 C ATOM 558 C GLY A 74 11.494 -2.311 7.148 1.00 12.37 C ATOM 559 O GLY A 74 11.489 -1.624 6.127 1.00 13.69 O ATOM 560 N TYR A 75 11.684 -3.626 7.159 1.00 11.51 N ATOM 561 CA TYR A 75 11.956 -4.406 5.962 1.00 12.76 C ATOM 562 C TYR A 75 10.720 -5.218 5.606 1.00 13.85 C ATOM 563 O TYR A 75 10.153 -5.896 6.458 1.00 12.88 O ATOM 564 CB TYR A 75 13.128 -5.347 6.234 1.00 16.05 C ATOM 565 CG TYR A 75 13.646 -6.073 5.021 1.00 19.34 C ATOM 566 CD1 TYR A 75 14.463 -5.426 4.100 1.00 21.09 C ATOM 567 CD2 TYR A 75 13.329 -7.411 4.798 1.00 20.95 C ATOM 568 CE1 TYR A 75 14.958 -6.093 2.988 1.00 21.24 C ATOM 569 CE2 TYR A 75 13.817 -8.090 3.686 1.00 21.15 C ATOM 570 CZ TYR A 75 14.632 -7.423 2.789 1.00 23.32 C ATOM 571 OH TYR A 75 15.132 -8.090 1.695 1.00 24.73 O ATOM 572 N VAL A 76 10.313 -5.153 4.344 1.00 13.12 N ATOM 573 CA VAL A 76 9.131 -5.865 3.876 1.00 12.06 C ATOM 574 C VAL A 76 9.517 -7.222 3.307 1.00 14.24 C ATOM 575 O VAL A 76 10.439 -7.320 2.504 1.00 14.82 O ATOM 576 CB VAL A 76 8.417 -5.041 2.787 1.00 12.87 C ATOM 577 CG1 VAL A 76 7.162 -5.754 2.310 1.00 15.22 C ATOM 578 CG2 VAL A 76 8.078 -3.665 3.333 1.00 15.35 C ATOM 579 N LYS A 77 8.814 -8.264 3.735 1.00 16.67 N ATOM 580 CA LYS A 77 9.085 -9.614 3.259 1.00 21.01 C ATOM 581 C LYS A 77 7.783 -10.389 3.154 1.00 22.72 C ATOM 582 O LYS A 77 6.746 -9.949 3.651 1.00 23.65 O ATOM 583 CB LYS A 77 10.038 -10.320 4.212 1.00 21.13 C ATOM 584 N GLN A 78 7.839 -11.543 2.499 1.00 26.63 N ATOM 585 CA GLN A 78 6.662 -12.385 2.348 1.00 28.35 C ATOM 586 C GLN A 78 6.564 -13.305 3.564 1.00 30.17 C ATOM 587 O GLN A 78 7.549 -13.927 3.958 1.00 30.74 O ATOM 588 CB GLN A 78 6.769 -13.207 1.067 1.00 30.18 C ATOM 589 N GLY A 79 5.378 -13.376 4.159 1.00 31.44 N ATOM 590 CA GLY A 79 5.186 -14.222 5.323 1.00 33.73 C ATOM 591 C GLY A 79 4.035 -15.194 5.152 1.00 35.82 C ATOM 592 O GLY A 79 3.684 -15.562 4.031 1.00 36.90 O ATOM 593 N GLY A 82 0.372 -12.484 3.202 1.00 35.49 N ATOM 594 CA GLY A 82 1.221 -12.192 2.064 1.00 33.51 C ATOM 595 C GLY A 82 2.488 -11.466 2.471 1.00 32.54 C ATOM 596 O GLY A 82 3.520 -12.088 2.728 1.00 34.15 O ATOM 597 N LEU A 83 2.413 -10.142 2.527 1.00 29.36 N ATOM 598 CA LEU A 83 3.562 -9.340 2.911 1.00 25.21 C ATOM 599 C LEU A 83 3.487 -8.959 4.378 1.00 22.64 C ATOM 600 O LEU A 83 2.406 -8.885 4.961 1.00 22.77 O ATOM 601 CB LEU A 83 3.635 -8.067 2.060 1.00 25.72 C ATOM 602 CG LEU A 83 3.850 -8.243 0.554 1.00 25.69 C ATOM 603 CD1 LEU A 83 3.855 -6.878 -0.116 1.00 25.63 C ATOM 604 CD2 LEU A 83 5.162 -8.968 0.299 1.00 23.64 C ATOM 605 N GLU A 84 4.651 -8.734 4.975 1.00 19.64 N ATOM 606 CA GLU A 84 4.739 -8.336 6.370 1.00 16.61 C ATOM 607 C GLU A 84 5.914 -7.385 6.479 1.00 14.71 C ATOM 608 O GLU A 84 6.827 -7.418 5.655 1.00 13.59 O ATOM 609 CB GLU A 84 4.998 -9.538 7.277 1.00 20.99 C ATOM 610 CG GLU A 84 4.075 -10.718 7.066 1.00 25.70 C ATOM 611 CD GLU A 84 4.298 -11.804 8.101 1.00 28.19 C ATOM 612 OE1 GLU A 84 5.458 -11.984 8.527 1.00 27.65 O ATOM 613 OE2 GLU A 84 3.318 -12.480 8.483 1.00 32.09 O ATOM 614 N ILE A 85 5.894 -6.529 7.488 1.00 12.81 N ATOM 615 CA ILE A 85 6.997 -5.608 7.668 1.00 12.20 C ATOM 616 C ILE A 85 7.681 -5.900 8.999 1.00 12.62 C ATOM 617 O ILE A 85 7.049 -5.857 10.061 1.00 13.21 O ATOM 618 CB ILE A 85 6.513 -4.139 7.600 1.00 15.05 C ATOM 619 CG1 ILE A 85 7.696 -3.192 7.812 1.00 15.07 C ATOM 620 CG2 ILE A 85 5.405 -3.897 8.624 1.00 14.37 C ATOM 621 CD1 ILE A 85 7.410 -1.759 7.410 1.00 17.33 C ATOM 622 N SER A 86 8.967 -6.236 8.928 1.00 11.06 N ATOM 623 CA SER A 86 9.763 -6.517 10.117 1.00 10.95 C ATOM 624 C SER A 86 10.183 -5.139 10.587 1.00 9.58 C ATOM 625 O SER A 86 10.923 -4.435 9.900 1.00 10.39 O ATOM 626 CB SER A 86 10.983 -7.365 9.761 1.00 13.90 C ATOM 627 OG SER A 86 11.651 -7.795 10.933 1.00 13.43 O ATOM 628 N VAL A 87 9.692 -4.750 11.757 1.00 9.11 N ATOM 629 CA VAL A 87 9.960 -3.425 12.285 1.00 8.83 C ATOM 630 C VAL A 87 11.358 -3.171 12.814 1.00 9.70 C ATOM 631 O VAL A 87 11.862 -3.911 13.669 1.00 12.73 O ATOM 632 CB VAL A 87 8.948 -3.067 13.394 1.00 10.22 C ATOM 633 CG1 VAL A 87 9.130 -1.623 13.823 1.00 11.09 C ATOM 634 CG2 VAL A 87 7.537 -3.293 12.887 1.00 10.78 C ATOM 635 N ASP A 88 11.978 -2.119 12.285 1.00 9.47 N ATOM 636 CA ASP A 88 13.311 -1.686 12.704 1.00 9.77 C ATOM 637 C ASP A 88 13.125 -0.567 13.723 1.00 10.39 C ATOM 638 O ASP A 88 13.858 -0.469 14.705 1.00 12.76 O ATOM 639 CB ASP A 88 14.104 -1.142 11.512 1.00 13.12 C ATOM 640 CG ASP A 88 14.530 -2.230 10.547 1.00 15.50 C ATOM 641 OD1 ASP A 88 14.787 -1.909 9.371 1.00 17.01 O ATOM 642 OD2 ASP A 88 14.619 -3.401 10.973 1.00 19.56 O ATOM 643 N ASN A 89 12.128 0.278 13.481 1.00 11.02 N ATOM 644 CA ASN A 89 11.849 1.395 14.372 1.00 9.35 C ATOM 645 C ASN A 89 10.373 1.758 14.329 1.00 7.80 C ATOM 646 O ASN A 89 9.715 1.610 13.297 1.00 8.33 O ATOM 647 CB ASN A 89 12.687 2.613 13.966 1.00 13.06 C ATOM 648 CG ASN A 89 12.485 3.792 14.893 1.00 16.22 C ATOM 649 OD1 ASN A 89 11.833 4.779 14.538 1.00 19.62 O ATOM 650 ND2 ASN A 89 13.035 3.695 16.096 1.00 21.29 N ATOM 651 N ILE A 90 9.852 2.210 15.464 1.00 7.80 N ATOM 652 CA ILE A 90 8.454 2.610 15.547 1.00 7.91 C ATOM 653 C ILE A 90 8.295 3.810 16.478 1.00 10.28 C ATOM 654 O ILE A 90 8.976 3.922 17.502 1.00 12.49 O ATOM 655 CB ILE A 90 7.556 1.435 16.035 1.00 8.86 C ATOM 656 CG1 ILE A 90 6.090 1.880 16.073 1.00 9.66 C ATOM 657 CG2 ILE A 90 8.031 0.926 17.395 1.00 6.94 C ATOM 658 CD1 ILE A 90 5.110 0.725 16.250 1.00 10.02 C ATOM 659 N GLY A 91 7.411 4.722 16.089 1.00 10.84 N ATOM 660 CA GLY A 91 7.146 5.904 16.886 1.00 10.76 C ATOM 661 C GLY A 91 5.681 6.232 16.738 1.00 9.43 C ATOM 662 O GLY A 91 5.067 5.874 15.738 1.00 11.47 O ATOM 663 N ILE A 92 5.106 6.905 17.723 1.00 10.57 N ATOM 664 CA ILE A 92 3.696 7.259 17.656 1.00 12.23 C ATOM 665 C ILE A 92 3.508 8.658 17.080 1.00 12.80 C ATOM 666 O ILE A 92 4.030 9.640 17.612 1.00 15.28 O ATOM 667 CB ILE A 92 3.049 7.198 19.053 1.00 11.60 C ATOM 668 CG1 ILE A 92 3.193 5.787 19.628 1.00 14.40 C ATOM 669 CG2 ILE A 92 1.585 7.592 18.969 1.00 14.33 C ATOM 670 CD1 ILE A 92 2.758 5.665 21.059 1.00 17.36 C ATOM 671 N ILE A 93 2.763 8.739 15.985 1.00 10.86 N ATOM 672 CA ILE A 93 2.485 10.011 15.337 1.00 12.82 C ATOM 673 C ILE A 93 1.335 10.695 16.068 1.00 13.07 C ATOM 674 O ILE A 93 1.443 11.844 16.494 1.00 13.47 O ATOM 675 CB ILE A 93 2.075 9.804 13.868 1.00 13.17 C ATOM 676 CG1 ILE A 93 3.212 9.121 13.104 1.00 14.53 C ATOM 677 CG2 ILE A 93 1.665 11.131 13.247 1.00 11.56 C ATOM 678 CD1 ILE A 93 4.534 9.833 13.174 1.00 19.44 C ATOM 679 N GLU A 94 0.239 9.964 16.218 1.00 12.08 N ATOM 680 CA GLU A 94 -0.948 10.475 16.886 1.00 13.13 C ATOM 681 C GLU A 94 -1.544 9.370 17.745 1.00 13.90 C ATOM 682 O GLU A 94 -1.843 8.281 17.256 1.00 14.72 O ATOM 683 CB GLU A 94 -1.962 10.945 15.842 1.00 12.93 C ATOM 684 CG GLU A 94 -3.261 11.490 16.402 1.00 17.10 C ATOM 685 CD GLU A 94 -4.152 12.056 15.317 1.00 18.08 C ATOM 686 OE1 GLU A 94 -3.886 13.184 14.849 1.00 21.62 O ATOM 687 OE2 GLU A 94 -5.107 11.361 14.918 1.00 18.45 O ATOM 688 N LYS A 95 -1.709 9.645 19.032 1.00 15.45 N ATOM 689 CA LYS A 95 -2.269 8.651 19.934 1.00 17.82 C ATOM 690 C LYS A 95 -3.749 8.436 19.664 1.00 19.46 C ATOM 691 O LYS A 95 -4.460 9.356 19.257 1.00 20.48 O ATOM 692 CB LYS A 95 -2.058 9.066 21.389 1.00 18.15 C ATOM 693 CG LYS A 95 -0.618 8.942 21.858 1.00 22.33 C ATOM 694 CD LYS A 95 -0.511 9.059 23.372 1.00 24.96 C ATOM 695 CE LYS A 95 -0.811 10.468 23.855 1.00 25.82 C ATOM 696 NZ LYS A 95 0.221 11.440 23.403 1.00 26.61 N ATOM 697 N SER A 96 -4.204 7.210 19.895 1.00 20.44 N ATOM 698 CA SER A 96 -5.597 6.845 19.678 1.00 23.78 C ATOM 699 C SER A 96 -6.555 7.861 20.284 1.00 25.52 C ATOM 700 O SER A 96 -7.569 8.210 19.681 1.00 25.82 O ATOM 701 CB SER A 96 -5.877 5.471 20.282 1.00 23.20 C ATOM 702 OG SER A 96 -7.262 5.179 20.247 1.00 23.70 O ATOM 703 N LEU A 97 -6.226 8.324 21.483 1.00 28.32 N ATOM 704 CA LEU A 97 -7.054 9.295 22.183 1.00 31.37 C ATOM 705 C LEU A 97 -7.103 10.597 21.399 1.00 32.55 C ATOM 706 O LEU A 97 -8.213 10.998 20.990 1.00 34.23 O ATOM 707 CB LEU A 97 -6.495 9.556 23.586 1.00 32.46 C ATOM 708 CG LEU A 97 -6.269 8.354 24.510 1.00 34.19 C ATOM 709 CD1 LEU A 97 -7.544 7.519 24.581 1.00 34.63 C ATOM 710 CD2 LEU A 97 -5.104 7.514 23.999 1.00 33.98 C ATOM 711 OXT LEU A 97 -6.026 11.197 21.197 1.00 34.25 O HETATM 712 O HOH A 98 2.122 -11.231 18.888 1.00 12.34 O HETATM 713 O HOH A 99 14.910 -0.877 -0.013 1.00 14.21 O HETATM 714 O HOH A 100 -2.371 6.446 7.481 1.00 14.60 O HETATM 715 O HOH A 101 6.963 7.568 20.004 1.00 21.00 O HETATM 716 O HOH A 102 4.267 11.313 5.211 1.00 16.35 O HETATM 717 O HOH A 103 8.821 -10.517 10.099 1.00 16.17 O HETATM 718 O HOH A 104 -8.101 0.840 15.237 1.00 14.30 O HETATM 719 O HOH A 105 2.504 -12.247 5.133 1.00 40.23 O HETATM 720 O HOH A 106 9.068 -6.209 29.978 1.00 22.11 O HETATM 721 O HOH A 107 0.065 -5.725 2.480 1.00 19.76 O HETATM 722 O HOH A 108 11.757 2.236 17.877 1.00 25.39 O HETATM 723 O HOH A 109 16.827 -16.504 22.275 1.00 36.04 O HETATM 724 O HOH A 110 10.302 5.052 3.297 1.00 24.86 O HETATM 725 O HOH A 111 1.231 -8.729 25.480 1.00 29.36 O HETATM 726 O HOH A 112 -7.058 1.463 22.337 1.00 21.40 O HETATM 727 O HOH A 113 -5.112 -6.692 21.834 1.00 28.15 O HETATM 728 O HOH A 114 0.735 -4.064 0.276 1.00 23.53 O HETATM 729 O HOH A 115 -7.533 0.291 3.995 1.00 28.31 O HETATM 730 O HOH A 116 -4.741 -2.131 22.067 1.00 23.93 O HETATM 731 O HOH A 117 -10.292 2.473 10.803 1.00 18.25 O HETATM 732 O HOH A 118 1.327 4.722 4.929 1.00 19.85 O HETATM 733 O HOH A 119 -6.663 7.339 15.076 1.00 18.66 O HETATM 734 O HOH A 120 15.575 -4.871 8.935 1.00 23.92 O HETATM 735 O HOH A 121 -6.213 3.917 8.566 1.00 16.91 O HETATM 736 O HOH A 122 11.550 -5.159 15.953 1.00 32.83 O HETATM 737 O HOH A 123 0.072 -8.972 5.941 1.00 28.32 O HETATM 738 O HOH A 124 20.263 -19.913 23.771 1.00 37.66 O HETATM 739 O HOH A 125 6.855 -9.354 30.038 1.00 27.48 O HETATM 740 O HOH A 126 7.234 2.322 24.708 1.00 19.67 O HETATM 741 O HOH A 127 5.320 -14.907 13.495 1.00 26.95 O HETATM 742 O HOH A 128 10.021 5.057 12.252 1.00 21.12 O HETATM 743 O HOH A 129 14.060 -4.927 17.384 1.00 20.83 O HETATM 744 O HOH A 130 -0.736 12.121 20.015 1.00 23.82 O HETATM 745 O HOH A 131 -3.366 6.664 4.731 1.00 24.61 O HETATM 746 O HOH A 132 15.422 -2.210 6.698 1.00 28.69 O HETATM 747 O HOH A 133 -7.423 12.861 19.212 1.00 34.38 O HETATM 748 O HOH A 134 10.203 -11.917 0.771 1.00 32.30 O HETATM 749 O HOH A 135 -8.197 4.083 22.643 1.00 29.15 O HETATM 750 O HOH A 136 12.098 -5.281 -4.430 1.00 28.10 O HETATM 751 O HOH A 137 9.010 11.263 9.405 1.00 29.13 O HETATM 752 O HOH A 138 14.269 4.006 8.620 1.00 31.79 O HETATM 753 O HOH A 139 0.006 -16.816 9.106 1.00 42.20 O HETATM 754 O HOH A 140 17.223 -1.278 22.758 1.00 35.54 O HETATM 755 O HOH A 141 2.260 -12.380 26.478 1.00 28.11 O HETATM 756 O HOH A 142 -0.337 -11.877 13.700 1.00 32.03 O HETATM 757 O HOH A 143 13.649 -6.246 11.618 1.00 39.58 O HETATM 758 O HOH A 144 -4.385 12.958 20.914 1.00 30.94 O HETATM 759 O HOH A 145 5.144 4.756 22.645 1.00 28.15 O HETATM 760 O HOH A 146 11.327 -11.597 10.044 1.00 21.67 O HETATM 761 O HOH A 147 -5.681 -4.583 20.440 1.00 36.27 O HETATM 762 O HOH A 148 13.547 1.401 6.636 1.00 25.39 O HETATM 763 O HOH A 149 -4.034 5.177 8.968 1.00 22.95 O HETATM 764 O HOH A 150 0.535 4.646 22.625 1.00 40.68 O HETATM 765 O HOH A 151 2.752 2.825 28.153 1.00 40.54 O HETATM 766 O HOH A 152 16.170 -16.611 18.921 1.00 37.40 O HETATM 767 O HOH A 153 8.617 8.847 14.778 1.00 36.91 O HETATM 768 O HOH A 154 13.201 -9.843 9.415 1.00 29.41 O HETATM 769 O HOH A 155 -7.119 14.001 16.851 1.00 31.64 O HETATM 770 O HOH A 156 -4.975 -2.873 -0.579 1.00 25.92 O HETATM 771 O HOH A 157 -7.863 -2.186 4.916 1.00 36.03 O HETATM 772 O HOH A 158 22.775 -19.288 24.586 1.00 33.86 O HETATM 773 O HOH A 159 4.877 -11.158 30.374 1.00 32.95 O HETATM 774 O HOH A 160 7.920 12.677 6.374 1.00 27.15 O HETATM 775 O HOH A 161 -0.302 1.404 -4.907 1.00 36.05 O HETATM 776 O HOH A 162 -11.250 10.079 19.848 1.00 39.80 O HETATM 777 O HOH A 163 8.439 -12.021 31.101 1.00 33.80 O HETATM 778 O HOH A 164 21.096 -19.974 21.390 1.00 32.83 O HETATM 779 O HOH A 165 15.364 -13.554 18.778 1.00 26.89 O HETATM 780 O HOH A 166 15.179 -9.087 8.018 1.00 32.86 O HETATM 781 O HOH A 167 1.988 13.633 20.039 1.00 29.95 O HETATM 782 O HOH A 168 -1.981 5.905 22.999 1.00 31.13 O HETATM 783 O HOH A 169 1.462 -16.639 3.119 1.00 49.25 O HETATM 784 O HOH A 170 16.936 -5.097 6.837 1.00 39.10 O HETATM 785 O HOH A 171 3.913 -6.034 24.914 1.00 27.56 O HETATM 786 O HOH A 172 20.066 -22.139 19.143 1.00 37.87 O HETATM 787 O HOH A 173 -2.492 -3.585 -0.040 1.00 38.21 O HETATM 788 O HOH A 174 -7.601 -7.607 21.890 1.00 32.80 O HETATM 789 O HOH A 175 19.528 -15.317 20.698 1.00 33.35 O HETATM 790 O HOH A 176 -6.971 -4.271 3.473 1.00 35.27 O HETATM 791 O HOH A 177 2.957 6.720 4.779 1.00 40.01 O HETATM 792 O HOH A 178 1.813 -13.116 16.662 1.00 35.49 O HETATM 793 O HOH A 179 9.981 5.815 19.164 1.00 27.09 O HETATM 794 O HOH A 180 6.852 11.406 15.827 1.00 33.55 O HETATM 795 O HOH A 181 -8.360 -6.229 19.098 1.00 35.60 O HETATM 796 O HOH A 182 -6.042 9.657 16.599 1.00 39.13 O HETATM 797 O HOH A 183 13.362 3.874 19.331 1.00 38.23 O HETATM 798 O HOH A 184 3.992 0.746 29.199 1.00 36.83 O HETATM 799 O HOH A 185 0.927 2.381 30.035 1.00 27.58 O HETATM 800 O HOH A 186 1.867 -4.430 -2.156 1.00 33.38 O HETATM 801 O HOH A 187 -0.002 -8.681 1.652 1.00 36.17 O HETATM 802 O HOH A 188 11.550 10.453 9.346 1.00 37.33 O HETATM 803 O HOH A 189 -7.865 -0.130 1.225 1.00 30.98 O HETATM 804 O HOH A 190 -0.049 -11.526 7.523 1.00 40.90 O HETATM 805 O HOH A 191 1.549 -14.968 9.980 1.00 41.08 O HETATM 806 O HOH A 192 10.543 10.690 14.174 1.00 37.23 O HETATM 807 O HOH A 193 -9.236 5.705 14.892 1.00 35.47 O HETATM 808 O HOH A 194 17.957 -20.366 20.902 1.00 27.78 O HETATM 809 O HOH A 195 16.270 -19.042 19.586 1.00 45.08 O HETATM 810 O HOH A 196 10.120 -8.034 28.664 1.00 38.15 O HETATM 811 O HOH A 197 -9.952 6.141 17.535 1.00 39.53 O HETATM 812 O HOH A 198 16.240 -10.343 1.463 1.00 30.38 O HETATM 813 O HOH A 199 -7.429 -9.177 13.563 1.00 45.79 O HETATM 814 O HOH A 200 0.213 -14.431 5.765 1.00 41.81 O HETATM 815 O HOH A 201 14.574 -4.198 14.850 1.00 33.67 O TER 816 HOH A 201 ENDMDL MASTER END