HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-NOV-06 2O0Q TITLE X-RAY CRYSTAL STRUCTURE OF PROTEIN CC0527 FROM CAULOBACTER TITLE 2 CRESCENTUS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TITLE 3 TARGET CCR55 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN CC0527; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; SOURCE 3 ORGANISM_TAXID: 155892; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET 21 KEYWDS PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL KEYWDS 2 GENOMICS CONSORTIUM, NESG, HYPOTHETICAL PROTEIN CC0527, KEYWDS 3 STRUCTURAL GENOMICS, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR J.SEETHARAMAN,M.SU,D.WANG,Y.FANG,K.CUNNINGHAM,L.MA,R.XIAO, AUTHOR 2 J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT, AUTHOR 3 L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 3 24-FEB-09 2O0Q 1 VERSN REVDAT 2 26-DEC-06 2O0Q 1 TITLE REMARK REVDAT 1 12-DEC-06 2O0Q 0 JRNL AUTH J.SEETHARAMAN,M.SU,D.WANG,Y.FANG,K.CUNNINGHAM,L.MA, JRNL AUTH 2 R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON,B.ROST, JRNL AUTH 3 G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF THE HYPOTHETICAL PROTEIN FROM JRNL TITL 2 CAULOBACTER CRESCENTUS. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.98 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 83262.250 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 84.5 REMARK 3 NUMBER OF REFLECTIONS : 31132 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) : 0.222 REMARK 3 FREE R VALUE : 0.252 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1548 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 54.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3151 REMARK 3 BIN R VALUE (WORKING SET) : 0.2310 REMARK 3 BIN FREE R VALUE : 0.2480 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 184 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 876 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 152 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 6.94000 REMARK 3 B22 (A**2) : -3.18000 REMARK 3 B33 (A**2) : -3.76000 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) : 0.11 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) : 0.11 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.70 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 : 0.39 REMARK 3 BSOL : 41.62 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 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2O0Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-NOV-06. REMARK 100 THE RCSB ID CODE IS RCSB040540. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-OCT-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.978 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : ADSC REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 31132 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 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 (%) : 98.4 REMARK 200 DATA REDUNDANCY : 7.300 REMARK 200 R MERGE (I) : 0.07000 REMARK 200 R SYM (I) : 0.05400 REMARK 200 FOR THE DATA SET : 11.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.3 REMARK 200 DATA REDUNDANCY IN SHELL : 5.50 REMARK 200 R MERGE FOR SHELL (I) : 0.36900 REMARK 200 R SYM FOR SHELL (I) : 0.33400 REMARK 200 FOR SHELL : 9.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 2O0P REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 69.79 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M SODIUM ACETATE, 0.1M SODIUM REMARK 280 CITRATE, PGE 4000 , PH 5.6, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z REMARK 290 7555 -X+1/2,Y+1/2,-Z REMARK 290 8555 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 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 42.57150 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 52.16300 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.57150 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 52.16300 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.57150 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 52.16300 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.57150 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 52.16300 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 64 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 75 -118.62 -133.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2O0P RELATED DB: PDB REMARK 900 RELATED ID: CCR55 RELATED DB: TARGETDB DBREF 2O0Q A 1 114 UNP Q9AAR9 Q9AAR9_CAUCR 1 114 SEQADV 2O0Q LEU A 115 UNP Q9AAR9 CLONING ARTIFACT SEQRES 1 A 115 MET THR LEU ILE TYR LYS ILE LEU SER ARG ALA GLU TRP SEQRES 2 A 115 ASP ALA ALA LYS ALA GLN GLY ARG PHE GLU GLY SER ALA SEQRES 3 A 115 VAL ASP LEU ALA ASP GLY PHE ILE HIS LEU SER ALA GLY SEQRES 4 A 115 GLU GLN ALA GLN GLU THR ALA ALA LYS TRP PHE ARG GLY SEQRES 5 A 115 GLN ALA ASN LEU VAL LEU LEU ALA VAL GLU ALA GLU PRO SEQRES 6 A 115 LEU GLY GLU ASP LEU LYS TRP GLU ALA SER ARG GLY GLY SEQRES 7 A 115 ALA ARG PHE PRO HIS LEU TYR ARG PRO LEU LEU VAL SER SEQRES 8 A 115 GLU VAL THR ARG GLU ALA ASP LEU ASP LEU ASP ALA ASP SEQRES 9 A 115 GLY VAL PRO GLN LEU GLY ASP HIS LEU ALA LEU FORMUL 2 HOH *152(H2 O) HELIX 1 1 ARG A 10 GLY A 20 1 11 HELIX 2 2 SER A 25 GLY A 32 1 8 HELIX 3 3 GLY A 39 PHE A 50 1 12 HELIX 4 4 GLU A 64 GLY A 67 5 4 HELIX 5 5 ARG A 76 GLY A 78 5 3 HELIX 6 6 LEU A 109 LEU A 115 1 7 SHEET 1 A 4 SER A 37 ALA A 38 0 SHEET 2 A 4 LEU A 3 SER A 9 -1 N TYR A 5 O SER A 37 SHEET 3 A 4 LEU A 56 GLU A 62 -1 O VAL A 61 N ILE A 4 SHEET 4 A 4 VAL A 93 ASP A 98 -1 O ALA A 97 N LEU A 58 SHEET 1 B 2 ARG A 21 PHE A 22 0 SHEET 2 B 2 LEU A 88 LEU A 89 -1 O LEU A 88 N PHE A 22 SHEET 1 C 3 ILE A 34 HIS A 35 0 SHEET 2 C 3 ARG A 80 LEU A 84 -1 O LEU A 84 N ILE A 34 SHEET 3 C 3 LEU A 70 ALA A 74 -1 N LYS A 71 O HIS A 83 CRYST1 85.143 104.326 46.107 90.00 90.00 90.00 C 2 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.011745 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009585 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021689 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2O0Q.PDB, MODEL/S 1 2O0Q.PDB REMARK PdbStat -- SEQRES 1 A 266 THR LEU ILE TYR LYS ILE LEU SER ARG ALA GLU TRP ASP SEQRES 2 A 266 ALA ALA LYS ALA GLN GLY ARG PHE GLU GLY SER ALA VAL SEQRES 3 A 266 ASP LEU ALA ASP GLY PHE ILE HIS LEU SER ALA GLY GLU SEQRES 4 A 266 GLN ALA GLN GLU THR ALA ALA LYS TRP PHE ARG GLY GLN SEQRES 5 A 266 ALA ASN LEU VAL LEU LEU ALA VAL GLU ALA GLU PRO LEU SEQRES 6 A 266 GLY GLU ASP LEU LYS TRP GLU ALA SER ARG GLY GLY ALA SEQRES 7 A 266 ARG PHE PRO HIS LEU TYR ARG PRO LEU LEU VAL SER GLU SEQRES 8 A 266 VAL THR ARG GLU ALA ASP LEU ASP LEU ASP ALA ASP GLY SEQRES 9 A 266 VAL PRO GLN LEU GLY ASP HIS LEU ALA LEU HOH HOH HOH SEQRES 10 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 266 HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2O0Q.PDB, MODEL/S 1 2O0Q.PDB REMARK PdbStat -- SEQRES 1 A 266 THR LEU ILE TYR LYS ILE LEU SER ARG ALA GLU TRP ASP SEQRES 2 A 266 ALA ALA LYS ALA GLN GLY ARG PHE GLU GLY SER ALA VAL SEQRES 3 A 266 ASP LEU ALA ASP GLY PHE ILE HIS LEU SER ALA GLY GLU SEQRES 4 A 266 GLN ALA GLN GLU THR ALA ALA LYS TRP PHE ARG GLY GLN SEQRES 5 A 266 ALA ASN LEU VAL LEU LEU ALA VAL GLU ALA GLU PRO LEU SEQRES 6 A 266 GLY GLU ASP LEU LYS TRP GLU ALA SER ARG GLY GLY ALA SEQRES 7 A 266 ARG PHE PRO HIS LEU TYR ARG PRO LEU LEU VAL SER GLU SEQRES 8 A 266 VAL THR ARG GLU ALA ASP LEU ASP LEU ASP ALA ASP GLY SEQRES 9 A 266 VAL PRO GLN LEU GLY ASP HIS LEU ALA LEU HOH HOH HOH SEQRES 10 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 266 HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2O0Q.PDB, MODEL/S 1 2O0Q.PDB REMARK PdbStat -- SEQRES 1 A 266 THR LEU ILE TYR LYS ILE LEU SER ARG ALA GLU TRP ASP SEQRES 2 A 266 ALA ALA LYS ALA GLN GLY ARG PHE GLU GLY SER ALA VAL SEQRES 3 A 266 ASP LEU ALA ASP GLY PHE ILE HIS LEU SER ALA GLY GLU SEQRES 4 A 266 GLN ALA GLN GLU THR ALA ALA LYS TRP PHE ARG GLY GLN SEQRES 5 A 266 ALA ASN LEU VAL LEU LEU ALA VAL GLU ALA GLU PRO LEU SEQRES 6 A 266 GLY GLU ASP LEU LYS TRP GLU ALA SER ARG GLY GLY ALA SEQRES 7 A 266 ARG PHE PRO HIS LEU TYR ARG PRO LEU LEU VAL SER GLU SEQRES 8 A 266 VAL THR ARG GLU ALA ASP LEU ASP LEU ASP ALA ASP GLY SEQRES 9 A 266 VAL PRO GLN LEU GLY ASP HIS LEU ALA LEU HOH HOH HOH SEQRES 10 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 266 HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2O0Q.PDB, MODEL/S 1 2O0Q.PDB REMARK PdbStat -- SEQRES 1 A 266 THR LEU ILE TYR LYS ILE LEU SER ARG ALA GLU TRP ASP SEQRES 2 A 266 ALA ALA LYS ALA GLN GLY ARG PHE GLU GLY SER ALA VAL SEQRES 3 A 266 ASP LEU ALA ASP GLY PHE ILE HIS LEU SER ALA GLY GLU SEQRES 4 A 266 GLN ALA GLN GLU THR ALA ALA LYS TRP PHE ARG GLY GLN SEQRES 5 A 266 ALA ASN LEU VAL LEU LEU ALA VAL GLU ALA GLU PRO LEU SEQRES 6 A 266 GLY GLU ASP LEU LYS TRP GLU ALA SER ARG GLY GLY ALA SEQRES 7 A 266 ARG PHE PRO HIS LEU TYR ARG PRO LEU LEU VAL SER GLU SEQRES 8 A 266 VAL THR ARG GLU ALA ASP LEU ASP LEU ASP ALA ASP GLY SEQRES 9 A 266 VAL PRO GLN LEU GLY ASP HIS LEU ALA LEU HOH HOH HOH SEQRES 10 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 266 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 266 HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2O0Q.pdb ATOM 1 N THR A 2 -9.932 6.767 -8.945 1.00 26.24 N ATOM 2 CA THR A 2 -8.573 7.040 -8.397 1.00 24.67 C ATOM 3 C THR A 2 -7.966 5.773 -7.806 1.00 23.71 C ATOM 4 O THR A 2 -8.613 5.065 -7.037 1.00 23.84 O ATOM 5 CB THR A 2 -8.623 8.108 -7.280 1.00 26.16 C ATOM 6 OG1 THR A 2 -9.221 9.309 -7.788 1.00 29.63 O ATOM 7 CG2 THR A 2 -7.213 8.421 -6.771 1.00 25.59 C ATOM 8 N LEU A 3 -6.724 5.486 -8.175 1.00 20.79 N ATOM 9 CA LEU A 3 -6.040 4.318 -7.639 1.00 19.38 C ATOM 10 C LEU A 3 -5.206 4.715 -6.429 1.00 19.23 C ATOM 11 O LEU A 3 -4.580 5.773 -6.418 1.00 18.13 O ATOM 12 CB LEU A 3 -5.093 3.704 -8.673 1.00 17.76 C ATOM 13 CG LEU A 3 -5.640 2.921 -9.861 1.00 17.17 C ATOM 14 CD1 LEU A 3 -4.467 2.363 -10.658 1.00 17.66 C ATOM 15 CD2 LEU A 3 -6.533 1.794 -9.375 1.00 16.69 C ATOM 16 N ILE A 4 -5.215 3.874 -5.402 1.00 16.03 N ATOM 17 CA ILE A 4 -4.387 4.125 -4.237 1.00 13.50 C ATOM 18 C ILE A 4 -3.525 2.877 -4.123 1.00 15.38 C ATOM 19 O ILE A 4 -3.861 1.828 -4.691 1.00 14.30 O ATOM 20 CB ILE A 4 -5.211 4.381 -2.955 1.00 13.85 C ATOM 21 CG1 ILE A 4 -6.264 3.292 -2.752 1.00 13.54 C ATOM 22 CG2 ILE A 4 -5.852 5.765 -3.045 1.00 11.38 C ATOM 23 CD1 ILE A 4 -7.027 3.439 -1.446 1.00 13.85 C ATOM 24 N TYR A 5 -2.413 2.985 -3.413 1.00 13.76 N ATOM 25 CA TYR A 5 -1.489 1.870 -3.329 1.00 12.61 C ATOM 26 C TYR A 5 -1.053 1.438 -1.949 1.00 13.05 C ATOM 27 O TYR A 5 -0.916 2.247 -1.031 1.00 11.51 O ATOM 28 CB TYR A 5 -0.233 2.193 -4.134 1.00 13.43 C ATOM 29 CG TYR A 5 -0.499 2.565 -5.574 1.00 14.39 C ATOM 30 CD1 TYR A 5 -0.947 3.842 -5.922 1.00 12.75 C ATOM 31 CD2 TYR A 5 -0.328 1.627 -6.588 1.00 13.26 C ATOM 32 CE1 TYR A 5 -1.220 4.173 -7.252 1.00 13.29 C ATOM 33 CE2 TYR A 5 -0.595 1.940 -7.913 1.00 14.15 C ATOM 34 CZ TYR A 5 -1.041 3.211 -8.241 1.00 14.46 C ATOM 35 OH TYR A 5 -1.307 3.503 -9.561 1.00 13.16 O ATOM 36 N LYS A 6 -0.808 0.139 -1.837 1.00 12.37 N ATOM 37 CA LYS A 6 -0.337 -0.453 -0.606 1.00 12.64 C ATOM 38 C LYS A 6 0.933 -1.201 -0.968 1.00 13.25 C ATOM 39 O LYS A 6 0.993 -1.895 -1.991 1.00 14.37 O ATOM 40 CB LYS A 6 -1.364 -1.444 -0.038 1.00 11.57 C ATOM 41 CG LYS A 6 -0.930 -2.085 1.287 1.00 12.68 C ATOM 42 CD LYS A 6 -0.900 -1.060 2.420 1.00 11.17 C ATOM 43 CE LYS A 6 -0.065 -1.539 3.606 1.00 13.24 C ATOM 44 NZ LYS A 6 -0.030 -0.522 4.714 1.00 9.76 N ATOM 45 N ILE A 7 1.956 -1.037 -0.142 1.00 13.87 N ATOM 46 CA ILE A 7 3.217 -1.734 -0.336 1.00 13.89 C ATOM 47 C ILE A 7 3.327 -2.695 0.843 1.00 14.51 C ATOM 48 O ILE A 7 3.152 -2.286 1.991 1.00 13.93 O ATOM 49 CB ILE A 7 4.412 -0.752 -0.314 1.00 14.84 C ATOM 50 CG1 ILE A 7 4.291 0.221 -1.490 1.00 15.28 C ATOM 51 CG2 ILE A 7 5.732 -1.526 -0.378 1.00 15.94 C ATOM 52 CD1 ILE A 7 5.328 1.338 -1.497 1.00 18.28 C ATOM 53 N LEU A 8 3.580 -3.972 0.562 1.00 14.38 N ATOM 54 CA LEU A 8 3.715 -4.963 1.626 1.00 13.55 C ATOM 55 C LEU A 8 4.595 -6.118 1.174 1.00 13.79 C ATOM 56 O LEU A 8 4.851 -6.295 -0.021 1.00 14.25 O ATOM 57 CB LEU A 8 2.339 -5.495 2.066 1.00 14.60 C ATOM 58 CG LEU A 8 1.642 -6.611 1.273 1.00 14.51 C ATOM 59 CD1 LEU A 8 0.389 -7.034 2.017 1.00 13.10 C ATOM 60 CD2 LEU A 8 1.280 -6.151 -0.114 1.00 15.53 C ATOM 61 N SER A 9 5.065 -6.904 2.133 1.00 13.65 N ATOM 62 CA SER A 9 5.927 -8.038 1.823 1.00 13.04 C ATOM 63 C SER A 9 5.138 -9.147 1.138 1.00 14.74 C ATOM 64 O SER A 9 3.916 -9.235 1.277 1.00 12.02 O ATOM 65 CB SER A 9 6.557 -8.589 3.106 1.00 13.26 C ATOM 66 OG SER A 9 5.593 -9.253 3.910 1.00 13.54 O ATOM 67 N ARG A 10 5.843 -9.990 0.393 1.00 14.67 N ATOM 68 CA ARG A 10 5.210 -11.113 -0.292 1.00 17.37 C ATOM 69 C ARG A 10 4.557 -12.023 0.753 1.00 17.69 C ATOM 70 O ARG A 10 3.460 -12.547 0.544 1.00 19.64 O ATOM 71 CB ARG A 10 6.261 -11.881 -1.102 1.00 18.42 C ATOM 72 CG ARG A 10 5.848 -13.283 -1.557 1.00 21.28 C ATOM 73 CD ARG A 10 4.527 -13.299 -2.311 1.00 21.62 C ATOM 74 NE ARG A 10 4.562 -12.523 -3.548 1.00 21.80 N ATOM 75 CZ ARG A 10 3.563 -12.483 -4.425 1.00 21.93 C ATOM 76 NH1 ARG A 10 2.457 -13.179 -4.194 1.00 22.42 N ATOM 77 NH2 ARG A 10 3.661 -11.747 -5.526 1.00 22.53 N ATOM 78 N ALA A 11 5.228 -12.193 1.886 1.00 18.49 N ATOM 79 CA ALA A 11 4.698 -13.033 2.956 1.00 19.19 C ATOM 80 C ALA A 11 3.336 -12.519 3.406 1.00 19.57 C ATOM 81 O ALA A 11 2.382 -13.285 3.541 1.00 20.04 O ATOM 82 CB ALA A 11 5.662 -13.049 4.137 1.00 18.80 C ATOM 83 N GLU A 12 3.247 -11.215 3.635 1.00 19.51 N ATOM 84 CA GLU A 12 1.997 -10.626 4.080 1.00 19.19 C ATOM 85 C GLU A 12 0.893 -10.739 3.039 1.00 18.52 C ATOM 86 O GLU A 12 -0.271 -10.960 3.386 1.00 18.45 O ATOM 87 CB GLU A 12 2.228 -9.169 4.486 1.00 20.04 C ATOM 88 CG GLU A 12 2.992 -9.051 5.802 1.00 22.99 C ATOM 89 CD GLU A 12 3.455 -7.639 6.093 1.00 24.48 C ATOM 90 OE1 GLU A 12 4.219 -7.091 5.272 1.00 24.88 O ATOM 91 OE2 GLU A 12 3.059 -7.082 7.142 1.00 24.37 O ATOM 92 N TRP A 13 1.251 -10.608 1.765 1.00 17.35 N ATOM 93 CA TRP A 13 0.258 -10.707 0.704 1.00 16.85 C ATOM 94 C TRP A 13 -0.244 -12.151 0.582 1.00 17.69 C ATOM 95 O TRP A 13 -1.446 -12.382 0.439 1.00 18.60 O ATOM 96 CB TRP A 13 0.848 -10.225 -0.626 1.00 16.15 C ATOM 97 CG TRP A 13 -0.131 -10.231 -1.777 1.00 17.95 C ATOM 98 CD1 TRP A 13 0.103 -10.691 -3.041 1.00 18.70 C ATOM 99 CD2 TRP A 13 -1.487 -9.755 -1.770 1.00 16.59 C ATOM 100 NE1 TRP A 13 -1.019 -10.537 -3.821 1.00 18.50 N ATOM 101 CE2 TRP A 13 -2.010 -9.965 -3.068 1.00 17.86 C ATOM 102 CE3 TRP A 13 -2.310 -9.173 -0.796 1.00 17.21 C ATOM 103 CZ2 TRP A 13 -3.321 -9.615 -3.419 1.00 18.54 C ATOM 104 CZ3 TRP A 13 -3.621 -8.823 -1.146 1.00 18.94 C ATOM 105 CH2 TRP A 13 -4.109 -9.048 -2.448 1.00 18.06 C ATOM 106 N ASP A 14 0.665 -13.125 0.643 1.00 17.26 N ATOM 107 CA ASP A 14 0.242 -14.522 0.559 1.00 17.83 C ATOM 108 C ASP A 14 -0.654 -14.840 1.755 1.00 18.48 C ATOM 109 O ASP A 14 -1.685 -15.507 1.616 1.00 17.75 O ATOM 110 CB ASP A 14 1.444 -15.477 0.565 1.00 19.10 C ATOM 111 CG ASP A 14 2.192 -15.492 -0.754 1.00 20.50 C ATOM 112 OD1 ASP A 14 1.624 -15.071 -1.782 1.00 19.93 O ATOM 113 OD2 ASP A 14 3.356 -15.947 -0.763 1.00 22.78 O ATOM 114 N ALA A 15 -0.254 -14.355 2.929 1.00 18.14 N ATOM 115 CA ALA A 15 -1.019 -14.574 4.151 1.00 17.82 C ATOM 116 C ALA A 15 -2.402 -13.952 4.005 1.00 19.34 C ATOM 117 O ALA A 15 -3.399 -14.495 4.488 1.00 18.29 O ATOM 118 CB ALA A 15 -0.294 -13.958 5.336 1.00 20.04 C ATOM 119 N ALA A 16 -2.457 -12.806 3.337 1.00 18.25 N ATOM 120 CA ALA A 16 -3.722 -12.119 3.128 1.00 19.07 C ATOM 121 C ALA A 16 -4.619 -12.949 2.212 1.00 18.65 C ATOM 122 O ALA A 16 -5.811 -13.111 2.473 1.00 18.91 O ATOM 123 CB ALA A 16 -3.473 -10.744 2.521 1.00 18.38 C ATOM 124 N LYS A 17 -4.042 -13.490 1.146 1.00 19.06 N ATOM 125 CA LYS A 17 -4.815 -14.292 0.209 1.00 19.72 C ATOM 126 C LYS A 17 -5.369 -15.561 0.858 1.00 21.01 C ATOM 127 O LYS A 17 -6.445 -16.036 0.489 1.00 20.29 O ATOM 128 CB LYS A 17 -3.963 -14.643 -1.016 1.00 22.45 C ATOM 129 CG LYS A 17 -3.602 -13.430 -1.861 1.00 23.20 C ATOM 130 CD LYS A 17 -3.194 -13.815 -3.273 1.00 27.15 C ATOM 131 CE LYS A 17 -1.931 -14.648 -3.298 1.00 29.03 C ATOM 132 NZ LYS A 17 -1.593 -15.062 -4.694 1.00 28.96 N ATOM 133 N ALA A 18 -4.640 -16.096 1.834 1.00 19.69 N ATOM 134 CA ALA A 18 -5.068 -17.304 2.529 1.00 20.27 C ATOM 135 C ALA A 18 -6.229 -17.016 3.478 1.00 19.34 C ATOM 136 O ALA A 18 -6.920 -17.932 3.928 1.00 19.55 O ATOM 137 CB ALA A 18 -3.900 -17.900 3.297 1.00 19.47 C ATOM 138 N GLN A 19 -6.445 -15.738 3.776 1.00 19.80 N ATOM 139 CA GLN A 19 -7.522 -15.335 4.675 1.00 20.85 C ATOM 140 C GLN A 19 -8.676 -14.653 3.937 1.00 18.53 C ATOM 141 O GLN A 19 -9.762 -14.492 4.490 1.00 19.77 O ATOM 142 CB GLN A 19 -6.977 -14.394 5.757 1.00 23.07 C ATOM 143 CG GLN A 19 -5.879 -15.011 6.615 1.00 28.25 C ATOM 144 CD GLN A 19 -6.365 -16.205 7.426 1.00 32.99 C ATOM 145 OE1 GLN A 19 -5.563 -16.999 7.929 1.00 35.53 O ATOM 146 NE2 GLN A 19 -7.682 -16.331 7.567 1.00 34.26 N ATOM 147 N GLY A 20 -8.442 -14.258 2.691 1.00 19.16 N ATOM 148 CA GLY A 20 -9.480 -13.590 1.923 1.00 19.34 C ATOM 149 C GLY A 20 -9.415 -12.075 2.039 1.00 19.23 C ATOM 150 O GLY A 20 -10.113 -11.353 1.322 1.00 19.76 O ATOM 151 N ARG A 21 -8.580 -11.586 2.951 1.00 18.57 N ATOM 152 CA ARG A 21 -8.437 -10.147 3.136 1.00 17.60 C ATOM 153 C ARG A 21 -7.141 -9.781 3.851 1.00 16.32 C ATOM 154 O ARG A 21 -6.570 -10.592 4.584 1.00 15.13 O ATOM 155 CB ARG A 21 -9.643 -9.580 3.905 1.00 18.18 C ATOM 156 CG ARG A 21 -9.686 -9.847 5.420 1.00 21.43 C ATOM 157 CD ARG A 21 -9.913 -11.313 5.772 1.00 22.34 C ATOM 158 NE ARG A 21 -10.149 -11.497 7.206 1.00 26.37 N ATOM 159 CZ ARG A 21 -11.304 -11.252 7.823 1.00 27.98 C ATOM 160 NH1 ARG A 21 -12.355 -10.814 7.139 1.00 28.05 N ATOM 161 NH2 ARG A 21 -11.410 -11.435 9.133 1.00 28.26 N ATOM 162 N PHE A 22 -6.676 -8.558 3.616 1.00 14.83 N ATOM 163 CA PHE A 22 -5.458 -8.058 4.240 1.00 15.61 C ATOM 164 C PHE A 22 -5.890 -7.213 5.430 1.00 15.44 C ATOM 165 O PHE A 22 -6.581 -6.207 5.267 1.00 16.36 O ATOM 166 CB PHE A 22 -4.663 -7.209 3.240 1.00 15.62 C ATOM 167 CG PHE A 22 -3.436 -6.561 3.825 1.00 16.69 C ATOM 168 CD1 PHE A 22 -2.460 -7.326 4.450 1.00 17.85 C ATOM 169 CD2 PHE A 22 -3.253 -5.179 3.739 1.00 17.75 C ATOM 170 CE1 PHE A 22 -1.319 -6.725 4.981 1.00 16.66 C ATOM 171 CE2 PHE A 22 -2.121 -4.572 4.266 1.00 16.97 C ATOM 172 CZ PHE A 22 -1.153 -5.344 4.887 1.00 17.19 C ATOM 173 N GLU A 23 -5.497 -7.625 6.629 1.00 16.32 N ATOM 174 CA GLU A 23 -5.888 -6.898 7.827 1.00 17.32 C ATOM 175 C GLU A 23 -4.930 -5.780 8.189 1.00 16.21 C ATOM 176 O GLU A 23 -5.214 -4.976 9.075 1.00 16.39 O ATOM 177 CB GLU A 23 -6.042 -7.868 8.996 1.00 21.59 C ATOM 178 CG GLU A 23 -6.997 -9.007 8.676 1.00 26.37 C ATOM 179 CD GLU A 23 -7.330 -9.851 9.881 1.00 31.89 C ATOM 180 OE1 GLU A 23 -6.388 -10.314 10.561 1.00 34.10 O ATOM 181 OE2 GLU A 23 -8.535 -10.056 10.143 1.00 34.13 O ATOM 182 N GLY A 24 -3.793 -5.725 7.506 1.00 16.19 N ATOM 183 CA GLY A 24 -2.841 -4.661 7.773 1.00 14.49 C ATOM 184 C GLY A 24 -1.468 -5.097 8.240 1.00 14.73 C ATOM 185 O GLY A 24 -1.291 -6.197 8.768 1.00 13.42 O ATOM 186 N SER A 25 -0.491 -4.219 8.028 1.00 14.36 N ATOM 187 CA SER A 25 0.884 -4.457 8.444 1.00 13.66 C ATOM 188 C SER A 25 0.959 -4.177 9.943 1.00 14.27 C ATOM 189 O SER A 25 -0.029 -3.754 10.553 1.00 12.59 O ATOM 190 CB SER A 25 1.827 -3.498 7.720 1.00 12.74 C ATOM 191 OG SER A 25 1.610 -2.170 8.177 1.00 12.71 O ATOM 192 N ALA A 26 2.134 -4.401 10.527 1.00 11.43 N ATOM 193 CA ALA A 26 2.340 -4.158 11.951 1.00 13.62 C ATOM 194 C ALA A 26 1.937 -2.727 12.309 1.00 13.77 C ATOM 195 O ALA A 26 1.204 -2.501 13.280 1.00 13.48 O ATOM 196 CB ALA A 26 3.796 -4.393 12.314 1.00 13.51 C ATOM 197 N VAL A 27 2.415 -1.764 11.525 1.00 13.45 N ATOM 198 CA VAL A 27 2.088 -0.366 11.775 1.00 14.39 C ATOM 199 C VAL A 27 0.609 -0.077 11.539 1.00 14.82 C ATOM 200 O VAL A 27 0.017 0.721 12.261 1.00 15.75 O ATOM 201 CB VAL A 27 2.925 0.578 10.895 1.00 16.45 C ATOM 202 CG1 VAL A 27 4.386 0.451 11.263 1.00 18.38 C ATOM 203 CG2 VAL A 27 2.715 0.252 9.427 1.00 19.19 C ATOM 204 N ASP A 28 0.010 -0.717 10.536 1.00 14.21 N ATOM 205 CA ASP A 28 -1.412 -0.496 10.268 1.00 13.53 C ATOM 206 C ASP A 28 -2.219 -0.907 11.495 1.00 13.64 C ATOM 207 O ASP A 28 -3.063 -0.154 11.987 1.00 14.24 O ATOM 208 CB ASP A 28 -1.906 -1.328 9.079 1.00 11.22 C ATOM 209 CG ASP A 28 -1.310 -0.891 7.755 1.00 12.32 C ATOM 210 OD1 ASP A 28 -0.969 0.304 7.604 1.00 6.75 O ATOM 211 OD2 ASP A 28 -1.207 -1.755 6.855 1.00 12.50 O ATOM 212 N LEU A 29 -1.953 -2.114 11.981 1.00 13.90 N ATOM 213 CA LEU A 29 -2.657 -2.639 13.147 1.00 13.01 C ATOM 214 C LEU A 29 -2.415 -1.780 14.382 1.00 13.64 C ATOM 215 O LEU A 29 -3.296 -1.642 15.231 1.00 15.81 O ATOM 216 CB LEU A 29 -2.227 -4.086 13.399 1.00 14.99 C ATOM 217 CG LEU A 29 -2.663 -5.050 12.289 1.00 13.51 C ATOM 218 CD1 LEU A 29 -1.952 -6.393 12.439 1.00 16.58 C ATOM 219 CD2 LEU A 29 -4.172 -5.219 12.334 1.00 13.83 C ATOM 220 N ALA A 30 -1.224 -1.196 14.476 1.00 13.71 N ATOM 221 CA ALA A 30 -0.885 -0.335 15.603 1.00 14.20 C ATOM 222 C ALA A 30 -1.662 0.971 15.542 1.00 14.76 C ATOM 223 O ALA A 30 -2.194 1.440 16.553 1.00 13.69 O ATOM 224 CB ALA A 30 0.611 -0.028 15.604 1.00 14.63 C ATOM 225 N ASP A 31 -1.715 1.554 14.346 1.00 14.02 N ATOM 226 CA ASP A 31 -2.388 2.826 14.138 1.00 13.22 C ATOM 227 C ASP A 31 -3.905 2.757 14.038 1.00 13.39 C ATOM 228 O ASP A 31 -4.580 3.765 14.250 1.00 12.24 O ATOM 229 CB ASP A 31 -1.816 3.526 12.900 1.00 10.41 C ATOM 230 CG ASP A 31 -0.354 3.908 13.070 1.00 10.92 C ATOM 231 OD1 ASP A 31 0.150 3.876 14.212 1.00 9.73 O ATOM 232 OD2 ASP A 31 0.297 4.250 12.062 1.00 11.71 O ATOM 233 N GLY A 32 -4.445 1.581 13.728 1.00 12.03 N ATOM 234 CA GLY A 32 -5.892 1.442 13.641 1.00 13.11 C ATOM 235 C GLY A 32 -6.498 1.593 12.257 1.00 14.29 C ATOM 236 O GLY A 32 -7.720 1.715 12.111 1.00 13.37 O ATOM 237 N PHE A 33 -5.650 1.594 11.236 1.00 13.59 N ATOM 238 CA PHE A 33 -6.114 1.715 9.858 1.00 13.99 C ATOM 239 C PHE A 33 -4.997 1.311 8.913 1.00 14.70 C ATOM 240 O PHE A 33 -3.828 1.277 9.297 1.00 15.72 O ATOM 241 CB PHE A 33 -6.552 3.150 9.543 1.00 12.14 C ATOM 242 CG PHE A 33 -5.483 4.179 9.781 1.00 13.48 C ATOM 243 CD1 PHE A 33 -5.385 4.826 11.008 1.00 10.86 C ATOM 244 CD2 PHE A 33 -4.566 4.493 8.780 1.00 11.81 C ATOM 245 CE1 PHE A 33 -4.388 5.774 11.238 1.00 11.54 C ATOM 246 CE2 PHE A 33 -3.565 5.437 9.000 1.00 12.01 C ATOM 247 CZ PHE A 33 -3.479 6.078 10.232 1.00 10.16 C ATOM 248 N ILE A 34 -5.358 1.007 7.674 1.00 13.63 N ATOM 249 CA ILE A 34 -4.360 0.614 6.699 1.00 13.82 C ATOM 250 C ILE A 34 -3.829 1.838 5.972 1.00 14.16 C ATOM 251 O ILE A 34 -4.594 2.624 5.399 1.00 14.09 O ATOM 252 CB ILE A 34 -4.936 -0.390 5.684 1.00 12.85 C ATOM 253 CG1 ILE A 34 -5.309 -1.685 6.411 1.00 14.62 C ATOM 254 CG2 ILE A 34 -3.911 -0.677 4.592 1.00 12.74 C ATOM 255 CD1 ILE A 34 -6.061 -2.667 5.555 1.00 13.38 C ATOM 256 N HIS A 35 -2.510 1.997 6.022 1.00 13.49 N ATOM 257 CA HIS A 35 -1.834 3.111 5.373 1.00 12.96 C ATOM 258 C HIS A 35 -1.683 2.839 3.888 1.00 12.42 C ATOM 259 O HIS A 35 -1.006 1.889 3.496 1.00 11.49 O ATOM 260 CB HIS A 35 -0.428 3.316 5.946 1.00 11.16 C ATOM 261 CG HIS A 35 -0.392 4.009 7.272 1.00 12.61 C ATOM 262 ND1 HIS A 35 -0.668 3.366 8.459 1.00 13.78 N ATOM 263 CD2 HIS A 35 -0.065 5.283 7.602 1.00 11.71 C ATOM 264 CE1 HIS A 35 -0.507 4.211 9.463 1.00 10.59 C ATOM 265 NE2 HIS A 35 -0.143 5.381 8.970 1.00 11.50 N ATOM 266 N LEU A 36 -2.312 3.673 3.068 1.00 11.36 N ATOM 267 CA LEU A 36 -2.207 3.554 1.618 1.00 11.55 C ATOM 268 C LEU A 36 -1.676 4.889 1.114 1.00 11.90 C ATOM 269 O LEU A 36 -1.620 5.855 1.876 1.00 11.49 O ATOM 270 CB LEU A 36 -3.569 3.229 0.992 1.00 11.76 C ATOM 271 CG LEU A 36 -3.984 1.776 1.272 1.00 11.28 C ATOM 272 CD1 LEU A 36 -5.232 1.752 2.109 1.00 10.97 C ATOM 273 CD2 LEU A 36 -4.226 1.031 -0.023 1.00 11.49 C ATOM 274 N SER A 37 -1.264 4.936 -0.150 1.00 12.13 N ATOM 275 CA SER A 37 -0.723 6.162 -0.734 1.00 12.74 C ATOM 276 C SER A 37 -1.327 6.450 -2.096 1.00 13.27 C ATOM 277 O SER A 37 -1.570 5.532 -2.879 1.00 12.45 O ATOM 278 CB SER A 37 0.796 6.050 -0.929 1.00 12.38 C ATOM 279 OG SER A 37 1.486 5.787 0.278 1.00 15.21 O ATOM 280 N ALA A 38 -1.577 7.726 -2.375 1.00 11.87 N ATOM 281 CA ALA A 38 -2.084 8.102 -3.690 1.00 13.65 C ATOM 282 C ALA A 38 -0.867 7.945 -4.601 1.00 14.68 C ATOM 283 O ALA A 38 0.262 7.868 -4.119 1.00 16.39 O ATOM 284 CB ALA A 38 -2.558 9.543 -3.693 1.00 13.74 C ATOM 285 N GLY A 39 -1.088 7.894 -5.908 1.00 12.15 N ATOM 286 CA GLY A 39 0.019 7.730 -6.831 1.00 14.33 C ATOM 287 C GLY A 39 1.166 8.724 -6.700 1.00 15.84 C ATOM 288 O GLY A 39 2.332 8.331 -6.758 1.00 14.53 O ATOM 289 N GLU A 40 0.855 10.005 -6.516 1.00 24.09 N ATOM 290 CA GLU A 40 1.901 11.023 -6.417 1.00 24.15 C ATOM 291 C GLU A 40 2.719 10.946 -5.136 1.00 20.82 C ATOM 292 O GLU A 40 3.771 11.576 -5.036 1.00 18.55 O ATOM 293 CB GLU A 40 1.302 12.429 -6.522 1.00 30.49 C ATOM 294 CG GLU A 40 0.053 12.517 -7.364 1.00 35.90 C ATOM 295 CD GLU A 40 -1.153 11.949 -6.648 1.00 37.96 C ATOM 296 OE1 GLU A 40 -1.522 12.499 -5.593 1.00 40.49 O ATOM 297 OE2 GLU A 40 -1.725 10.954 -7.130 1.00 37.34 O ATOM 298 N GLN A 41 2.238 10.174 -4.165 1.00 20.19 N ATOM 299 CA GLN A 41 2.913 10.040 -2.875 1.00 17.21 C ATOM 300 C GLN A 41 3.557 8.660 -2.686 1.00 16.57 C ATOM 301 O GLN A 41 4.405 8.475 -1.809 1.00 13.88 O ATOM 302 CB GLN A 41 1.892 10.290 -1.754 1.00 20.33 C ATOM 303 CG GLN A 41 0.642 11.029 -2.241 1.00 25.76 C ATOM 304 CD GLN A 41 -0.526 10.980 -1.267 1.00 28.19 C ATOM 305 OE1 GLN A 41 -0.868 9.923 -0.711 1.00 24.74 O ATOM 306 NE2 GLN A 41 -1.164 12.127 -1.075 1.00 30.69 N ATOM 307 N ALA A 42 3.161 7.705 -3.524 1.00 15.93 N ATOM 308 CA ALA A 42 3.652 6.328 -3.442 1.00 14.33 C ATOM 309 C ALA A 42 5.164 6.127 -3.452 1.00 13.97 C ATOM 310 O ALA A 42 5.695 5.377 -2.633 1.00 10.39 O ATOM 311 CB ALA A 42 3.025 5.493 -4.552 1.00 14.65 C ATOM 312 N GLN A 43 5.865 6.767 -4.383 1.00 12.47 N ATOM 313 CA GLN A 43 7.309 6.595 -4.444 1.00 14.31 C ATOM 314 C GLN A 43 7.996 7.077 -3.165 1.00 15.67 C ATOM 315 O GLN A 43 8.931 6.439 -2.681 1.00 15.76 O ATOM 316 CB GLN A 43 7.884 7.326 -5.658 1.00 15.26 C ATOM 317 CG GLN A 43 9.369 7.073 -5.886 1.00 17.07 C ATOM 318 CD GLN A 43 9.697 5.604 -6.096 1.00 14.66 C ATOM 319 OE1 GLN A 43 10.362 4.976 -5.263 1.00 17.14 O ATOM 320 NE2 GLN A 43 9.233 5.048 -7.204 1.00 12.71 N ATOM 321 N GLU A 44 7.538 8.198 -2.611 1.00 15.00 N ATOM 322 CA GLU A 44 8.145 8.717 -1.389 1.00 15.65 C ATOM 323 C GLU A 44 7.893 7.741 -0.242 1.00 14.22 C ATOM 324 O GLU A 44 8.767 7.520 0.601 1.00 14.12 O ATOM 325 CB GLU A 44 7.586 10.102 -1.027 1.00 17.74 C ATOM 326 CG GLU A 44 8.428 10.814 0.046 1.00 20.96 C ATOM 327 CD GLU A 44 7.974 12.236 0.344 1.00 23.85 C ATOM 328 OE1 GLU A 44 7.785 13.022 -0.607 1.00 21.84 O ATOM 329 OE2 GLU A 44 7.819 12.576 1.538 1.00 25.07 O ATOM 330 N THR A 45 6.699 7.156 -0.213 1.00 13.64 N ATOM 331 CA THR A 45 6.365 6.186 0.830 1.00 13.16 C ATOM 332 C THR A 45 7.311 4.989 0.721 1.00 13.78 C ATOM 333 O THR A 45 7.811 4.478 1.728 1.00 12.91 O ATOM 334 CB THR A 45 4.903 5.697 0.682 1.00 14.02 C ATOM 335 OG1 THR A 45 4.012 6.793 0.918 1.00 16.55 O ATOM 336 CG2 THR A 45 4.593 4.579 1.683 1.00 13.42 C ATOM 337 N ALA A 46 7.561 4.550 -0.508 1.00 11.90 N ATOM 338 CA ALA A 46 8.448 3.415 -0.736 1.00 12.38 C ATOM 339 C ALA A 46 9.860 3.741 -0.253 1.00 12.59 C ATOM 340 O ALA A 46 10.497 2.945 0.434 1.00 12.00 O ATOM 341 CB ALA A 46 8.462 3.048 -2.234 1.00 11.64 C ATOM 342 N ALA A 47 10.340 4.928 -0.602 1.00 11.02 N ATOM 343 CA ALA A 47 11.679 5.356 -0.221 1.00 11.91 C ATOM 344 C ALA A 47 11.817 5.542 1.282 1.00 13.19 C ATOM 345 O ALA A 47 12.877 5.317 1.852 1.00 12.43 O ATOM 346 CB ALA A 47 12.020 6.660 -0.924 1.00 12.05 C ATOM 347 N LYS A 48 10.736 5.954 1.922 1.00 14.40 N ATOM 348 CA LYS A 48 10.772 6.205 3.351 1.00 16.45 C ATOM 349 C LYS A 48 10.765 4.971 4.258 1.00 16.87 C ATOM 350 O LYS A 48 11.582 4.881 5.180 1.00 13.35 O ATOM 351 CB LYS A 48 9.610 7.130 3.721 1.00 20.07 C ATOM 352 CG LYS A 48 9.673 7.693 5.126 1.00 25.37 C ATOM 353 CD LYS A 48 8.502 8.629 5.372 1.00 28.12 C ATOM 354 CE LYS A 48 8.569 9.251 6.751 1.00 25.54 C ATOM 355 NZ LYS A 48 7.314 10.005 7.067 1.00 24.15 N ATOM 356 N TRP A 49 9.877 4.014 3.994 1.00 26.49 N ATOM 357 CA TRP A 49 9.772 2.844 4.868 0.50 27.01 C ATOM 358 C TRP A 49 10.148 1.464 4.339 1.00 23.32 C ATOM 359 O TRP A 49 10.174 0.503 5.114 1.00 22.21 O ATOM 360 CB TRP A 49 8.348 2.735 5.421 0.50 34.39 C ATOM 361 CG TRP A 49 7.691 4.035 5.714 0.50 39.80 C ATOM 362 CD1 TRP A 49 6.995 4.816 4.840 0.50 42.19 C ATOM 363 CD2 TRP A 49 7.662 4.715 6.971 0.50 42.98 C ATOM 364 NE1 TRP A 49 6.531 5.942 5.474 0.50 44.14 N ATOM 365 CE2 TRP A 49 6.928 5.906 6.785 0.50 44.61 C ATOM 366 CE3 TRP A 49 8.188 4.436 8.239 0.50 44.11 C ATOM 367 CZ2 TRP A 49 6.702 6.818 7.820 0.50 45.49 C ATOM 368 CZ3 TRP A 49 7.965 5.345 9.270 0.50 46.00 C ATOM 369 CH2 TRP A 49 7.228 6.522 9.051 0.50 45.92 C ATOM 370 N PHE A 50 10.446 1.342 3.052 1.00 19.28 N ATOM 371 CA PHE A 50 10.748 0.022 2.509 1.00 17.16 C ATOM 372 C PHE A 50 12.125 -0.195 1.900 1.00 16.82 C ATOM 373 O PHE A 50 12.327 -1.153 1.153 1.00 17.47 O ATOM 374 CB PHE A 50 9.670 -0.350 1.491 1.00 16.33 C ATOM 375 CG PHE A 50 8.303 -0.497 2.097 1.00 15.42 C ATOM 376 CD1 PHE A 50 7.940 -1.671 2.756 1.00 17.39 C ATOM 377 CD2 PHE A 50 7.385 0.546 2.030 1.00 14.51 C ATOM 378 CE1 PHE A 50 6.677 -1.802 3.344 1.00 16.66 C ATOM 379 CE2 PHE A 50 6.117 0.431 2.612 1.00 15.11 C ATOM 380 CZ PHE A 50 5.762 -0.746 3.271 1.00 15.23 C ATOM 381 N ARG A 51 13.074 0.675 2.233 1.00 15.17 N ATOM 382 CA ARG A 51 14.424 0.552 1.702 1.00 14.41 C ATOM 383 C ARG A 51 15.098 -0.766 2.058 1.00 13.66 C ATOM 384 O ARG A 51 15.059 -1.202 3.210 1.00 12.62 O ATOM 385 CB ARG A 51 15.309 1.697 2.207 1.00 13.68 C ATOM 386 CG ARG A 51 14.837 3.068 1.810 1.00 14.95 C ATOM 387 CD ARG A 51 15.997 4.070 1.804 1.00 15.31 C ATOM 388 NE ARG A 51 16.626 4.250 3.113 1.00 13.06 N ATOM 389 CZ ARG A 51 16.060 4.855 4.155 1.00 13.67 C ATOM 390 NH1 ARG A 51 14.827 5.347 4.066 1.00 12.80 N ATOM 391 NH2 ARG A 51 16.745 5.002 5.283 1.00 10.69 N ATOM 392 N GLY A 52 15.720 -1.388 1.056 1.00 14.22 N ATOM 393 CA GLY A 52 16.444 -2.632 1.265 1.00 14.64 C ATOM 394 C GLY A 52 15.633 -3.908 1.346 1.00 16.46 C ATOM 395 O GLY A 52 16.198 -5.002 1.396 1.00 17.48 O ATOM 396 N GLN A 53 14.312 -3.783 1.347 1.00 15.70 N ATOM 397 CA GLN A 53 13.452 -4.954 1.442 1.00 15.94 C ATOM 398 C GLN A 53 13.185 -5.628 0.107 1.00 17.21 C ATOM 399 O GLN A 53 12.625 -5.029 -0.807 1.00 14.27 O ATOM 400 CB GLN A 53 12.125 -4.575 2.102 1.00 17.45 C ATOM 401 CG GLN A 53 12.259 -4.205 3.574 1.00 17.79 C ATOM 402 CD GLN A 53 10.925 -3.934 4.227 1.00 18.37 C ATOM 403 OE1 GLN A 53 9.996 -4.736 4.121 1.00 19.64 O ATOM 404 NE2 GLN A 53 10.821 -2.802 4.915 1.00 18.96 N ATOM 405 N ALA A 54 13.585 -6.891 0.004 1.00 19.14 N ATOM 406 CA ALA A 54 13.373 -7.644 -1.221 1.00 20.57 C ATOM 407 C ALA A 54 12.020 -8.350 -1.147 1.00 21.97 C ATOM 408 O ALA A 54 11.431 -8.476 -0.072 1.00 22.15 O ATOM 409 CB ALA A 54 14.491 -8.667 -1.407 1.00 21.44 C ATOM 410 N ASN A 55 11.530 -8.790 -2.300 1.00 23.47 N ATOM 411 CA ASN A 55 10.264 -9.503 -2.382 1.00 24.06 C ATOM 412 C ASN A 55 9.064 -8.678 -1.938 1.00 23.29 C ATOM 413 O ASN A 55 8.170 -9.190 -1.262 1.00 23.75 O ATOM 414 CB ASN A 55 10.329 -10.788 -1.550 1.00 26.67 C ATOM 415 CG ASN A 55 11.492 -11.676 -1.944 1.00 29.85 C ATOM 416 OD1 ASN A 55 11.643 -12.039 -3.113 1.00 30.25 O ATOM 417 ND2 ASN A 55 12.322 -12.031 -0.968 1.00 30.18 N ATOM 418 N LEU A 56 9.048 -7.402 -2.308 1.00 20.84 N ATOM 419 CA LEU A 56 7.930 -6.536 -1.962 1.00 17.79 C ATOM 420 C LEU A 56 6.892 -6.616 -3.069 1.00 16.69 C ATOM 421 O LEU A 56 7.219 -6.877 -4.226 1.00 14.97 O ATOM 422 CB LEU A 56 8.380 -5.079 -1.817 1.00 16.88 C ATOM 423 CG LEU A 56 9.231 -4.701 -0.602 1.00 15.89 C ATOM 424 CD1 LEU A 56 9.623 -3.226 -0.689 1.00 12.91 C ATOM 425 CD2 LEU A 56 8.446 -4.972 0.675 1.00 15.57 C ATOM 426 N VAL A 57 5.636 -6.396 -2.707 1.00 15.59 N ATOM 427 CA VAL A 57 4.562 -6.411 -3.681 1.00 16.24 C ATOM 428 C VAL A 57 3.794 -5.099 -3.595 1.00 15.80 C ATOM 429 O VAL A 57 3.607 -4.536 -2.511 1.00 14.30 O ATOM 430 CB VAL A 57 3.609 -7.619 -3.459 1.00 17.37 C ATOM 431 CG1 VAL A 57 3.229 -7.718 -2.011 1.00 21.24 C ATOM 432 CG2 VAL A 57 2.362 -7.481 -4.341 1.00 18.78 C ATOM 433 N LEU A 58 3.380 -4.602 -4.753 1.00 15.30 N ATOM 434 CA LEU A 58 2.626 -3.361 -4.840 1.00 14.49 C ATOM 435 C LEU A 58 1.181 -3.699 -5.190 1.00 14.25 C ATOM 436 O LEU A 58 0.924 -4.375 -6.188 1.00 13.27 O ATOM 437 CB LEU A 58 3.234 -2.466 -5.931 1.00 14.49 C ATOM 438 CG LEU A 58 2.678 -1.068 -6.230 1.00 15.20 C ATOM 439 CD1 LEU A 58 1.285 -1.172 -6.803 1.00 20.14 C ATOM 440 CD2 LEU A 58 2.689 -0.218 -4.966 1.00 13.54 C ATOM 441 N LEU A 59 0.241 -3.239 -4.368 1.00 13.88 N ATOM 442 CA LEU A 59 -1.171 -3.485 -4.635 1.00 13.47 C ATOM 443 C LEU A 59 -1.810 -2.181 -5.094 1.00 15.97 C ATOM 444 O LEU A 59 -1.704 -1.158 -4.412 1.00 16.51 O ATOM 445 CB LEU A 59 -1.907 -3.975 -3.381 1.00 12.24 C ATOM 446 CG LEU A 59 -1.409 -5.200 -2.609 1.00 10.70 C ATOM 447 CD1 LEU A 59 -2.259 -5.368 -1.353 1.00 11.37 C ATOM 448 CD2 LEU A 59 -1.459 -6.458 -3.480 1.00 11.21 C ATOM 449 N ALA A 60 -2.456 -2.225 -6.256 1.00 14.80 N ATOM 450 CA ALA A 60 -3.144 -1.063 -6.813 1.00 16.61 C ATOM 451 C ALA A 60 -4.621 -1.244 -6.487 1.00 17.19 C ATOM 452 O ALA A 60 -5.213 -2.281 -6.805 1.00 16.65 O ATOM 453 CB ALA A 60 -2.934 -1.000 -8.319 1.00 16.18 C ATOM 454 N VAL A 61 -5.214 -0.234 -5.860 1.00 17.06 N ATOM 455 CA VAL A 61 -6.608 -0.308 -5.443 1.00 17.91 C ATOM 456 C VAL A 61 -7.480 0.864 -5.892 1.00 19.27 C ATOM 457 O VAL A 61 -7.086 2.026 -5.770 1.00 19.52 O ATOM 458 CB VAL A 61 -6.687 -0.408 -3.900 1.00 16.83 C ATOM 459 CG1 VAL A 61 -8.129 -0.385 -3.449 1.00 16.84 C ATOM 460 CG2 VAL A 61 -5.989 -1.679 -3.423 1.00 16.71 C ATOM 461 N GLU A 62 -8.668 0.553 -6.406 1.00 19.70 N ATOM 462 CA GLU A 62 -9.594 1.596 -6.831 1.00 22.10 C ATOM 463 C GLU A 62 -10.195 2.161 -5.547 1.00 21.40 C ATOM 464 O GLU A 62 -10.836 1.437 -4.791 1.00 21.55 O ATOM 465 CB GLU A 62 -10.698 1.012 -7.712 1.00 24.35 C ATOM 466 CG GLU A 62 -11.256 2.016 -8.694 1.00 30.95 C ATOM 467 CD GLU A 62 -10.242 2.390 -9.758 1.00 32.89 C ATOM 468 OE1 GLU A 62 -10.306 3.525 -10.277 1.00 34.70 O ATOM 469 OE2 GLU A 62 -9.386 1.539 -10.083 1.00 34.28 O ATOM 470 N ALA A 63 -9.992 3.452 -5.307 1.00 21.93 N ATOM 471 CA ALA A 63 -10.479 4.090 -4.087 1.00 23.14 C ATOM 472 C ALA A 63 -11.989 4.291 -3.965 1.00 24.30 C ATOM 473 O ALA A 63 -12.570 3.996 -2.923 1.00 23.52 O ATOM 474 CB ALA A 63 -9.771 5.427 -3.892 1.00 22.53 C ATOM 475 N GLU A 64 -12.618 4.796 -5.020 1.00 25.50 N ATOM 476 CA GLU A 64 -14.054 5.066 -5.002 1.00 27.63 C ATOM 477 C GLU A 64 -14.935 3.922 -4.492 1.00 27.99 C ATOM 478 O GLU A 64 -15.763 4.122 -3.603 1.00 28.39 O ATOM 479 CB GLU A 64 -14.514 5.506 -6.389 1.00 28.71 C ATOM 480 N PRO A 65 -14.777 2.710 -5.043 1.00 28.22 N ATOM 481 CA PRO A 65 -15.614 1.604 -4.569 1.00 28.57 C ATOM 482 C PRO A 65 -15.363 1.135 -3.135 1.00 28.35 C ATOM 483 O PRO A 65 -16.090 0.281 -2.626 1.00 29.03 O ATOM 484 CB PRO A 65 -15.353 0.508 -5.601 1.00 28.46 C ATOM 485 CG PRO A 65 -13.959 0.787 -6.046 1.00 30.49 C ATOM 486 CD PRO A 65 -13.949 2.288 -6.187 1.00 28.40 C ATOM 487 N LEU A 66 -14.351 1.693 -2.475 1.00 27.30 N ATOM 488 CA LEU A 66 -14.053 1.288 -1.105 1.00 25.95 C ATOM 489 C LEU A 66 -15.126 1.709 -0.115 1.00 26.07 C ATOM 490 O LEU A 66 -15.354 1.029 0.885 1.00 27.21 O ATOM 491 CB LEU A 66 -12.693 1.833 -0.665 1.00 24.15 C ATOM 492 CG LEU A 66 -11.513 1.083 -1.283 1.00 23.44 C ATOM 493 CD1 LEU A 66 -10.199 1.647 -0.757 1.00 22.20 C ATOM 494 CD2 LEU A 66 -11.632 -0.395 -0.942 1.00 22.71 C ATOM 495 N GLY A 67 -15.785 2.829 -0.385 1.00 26.50 N ATOM 496 CA GLY A 67 -16.831 3.277 0.512 1.00 27.77 C ATOM 497 C GLY A 67 -16.400 4.268 1.575 1.00 29.22 C ATOM 498 O GLY A 67 -15.316 4.852 1.506 1.00 30.41 O ATOM 499 N GLU A 68 -17.257 4.442 2.576 1.00 29.23 N ATOM 500 CA GLU A 68 -17.012 5.384 3.661 1.00 29.79 C ATOM 501 C GLU A 68 -15.853 5.044 4.588 1.00 27.51 C ATOM 502 O GLU A 68 -15.328 5.930 5.263 1.00 26.58 O ATOM 503 CB GLU A 68 -18.284 5.558 4.498 1.00 33.19 C ATOM 504 CG GLU A 68 -18.787 4.279 5.151 1.00 38.16 C ATOM 505 CD GLU A 68 -19.980 4.522 6.061 1.00 41.99 C ATOM 506 OE1 GLU A 68 -20.976 5.116 5.592 1.00 43.50 O ATOM 507 OE2 GLU A 68 -19.923 4.118 7.244 1.00 42.76 O ATOM 508 N ASP A 69 -15.453 3.778 4.639 1.00 25.44 N ATOM 509 CA ASP A 69 -14.353 3.402 5.519 1.00 23.91 C ATOM 510 C ASP A 69 -13.004 3.921 5.034 1.00 21.50 C ATOM 511 O ASP A 69 -12.000 3.807 5.738 1.00 19.80 O ATOM 512 CB ASP A 69 -14.300 1.884 5.714 1.00 26.86 C ATOM 513 CG ASP A 69 -15.410 1.377 6.624 1.00 30.28 C ATOM 514 OD1 ASP A 69 -15.635 1.997 7.684 1.00 32.87 O ATOM 515 OD2 ASP A 69 -16.049 0.358 6.286 1.00 31.69 O ATOM 516 N LEU A 70 -12.982 4.485 3.830 1.00 19.15 N ATOM 517 CA LEU A 70 -11.753 5.056 3.290 1.00 18.13 C ATOM 518 C LEU A 70 -11.793 6.533 3.645 1.00 18.69 C ATOM 519 O LEU A 70 -12.680 7.264 3.199 1.00 18.92 O ATOM 520 CB LEU A 70 -11.689 4.912 1.767 1.00 19.42 C ATOM 521 CG LEU A 70 -10.327 5.097 1.077 1.00 20.10 C ATOM 522 CD1 LEU A 70 -10.565 5.683 -0.310 1.00 20.16 C ATOM 523 CD2 LEU A 70 -9.410 6.006 1.869 1.00 21.26 C ATOM 524 N LYS A 71 -10.837 6.972 4.453 1.00 16.40 N ATOM 525 CA LYS A 71 -10.785 8.368 4.851 1.00 16.81 C ATOM 526 C LYS A 71 -9.512 8.995 4.304 1.00 15.42 C ATOM 527 O LYS A 71 -8.437 8.391 4.367 1.00 15.49 O ATOM 528 CB LYS A 71 -10.787 8.493 6.379 1.00 20.10 C ATOM 529 CG LYS A 71 -11.963 7.832 7.079 1.00 23.68 C ATOM 530 CD LYS A 71 -11.846 7.996 8.589 1.00 29.73 C ATOM 531 CE LYS A 71 -12.972 7.282 9.327 1.00 32.25 C ATOM 532 NZ LYS A 71 -12.791 7.341 10.810 1.00 34.40 N ATOM 533 N TRP A 72 -9.643 10.193 3.748 1.00 13.60 N ATOM 534 CA TRP A 72 -8.490 10.918 3.220 1.00 12.47 C ATOM 535 C TRP A 72 -8.122 11.915 4.297 1.00 13.56 C ATOM 536 O TRP A 72 -8.863 12.862 4.552 1.00 14.03 O ATOM 537 CB TRP A 72 -8.848 11.642 1.925 1.00 12.77 C ATOM 538 CG TRP A 72 -9.063 10.698 0.788 1.00 14.52 C ATOM 539 CD1 TRP A 72 -10.209 10.013 0.489 1.00 14.89 C ATOM 540 CD2 TRP A 72 -8.094 10.303 -0.185 1.00 15.25 C ATOM 541 NE1 TRP A 72 -10.011 9.216 -0.613 1.00 16.09 N ATOM 542 CE2 TRP A 72 -8.720 9.376 -1.047 1.00 16.82 C ATOM 543 CE3 TRP A 72 -6.755 10.641 -0.413 1.00 17.94 C ATOM 544 CZ2 TRP A 72 -8.050 8.783 -2.122 1.00 17.78 C ATOM 545 CZ3 TRP A 72 -6.090 10.052 -1.479 1.00 17.03 C ATOM 546 CH2 TRP A 72 -6.739 9.133 -2.321 1.00 17.38 C ATOM 547 N GLU A 73 -6.980 11.693 4.937 1.00 13.44 N ATOM 548 CA GLU A 73 -6.552 12.559 6.027 1.00 13.89 C ATOM 549 C GLU A 73 -5.267 13.327 5.752 1.00 14.05 C ATOM 550 O GLU A 73 -4.274 12.755 5.297 1.00 14.78 O ATOM 551 CB GLU A 73 -6.399 11.717 7.293 1.00 14.14 C ATOM 552 CG GLU A 73 -7.663 10.953 7.650 1.00 16.40 C ATOM 553 CD GLU A 73 -7.544 10.186 8.953 1.00 18.21 C ATOM 554 OE1 GLU A 73 -7.057 9.039 8.934 1.00 18.40 O ATOM 555 OE2 GLU A 73 -7.931 10.741 10.002 1.00 18.11 O ATOM 556 N ALA A 74 -5.303 14.627 6.034 1.00 14.86 N ATOM 557 CA ALA A 74 -4.150 15.510 5.849 1.00 14.32 C ATOM 558 C ALA A 74 -2.996 15.017 6.716 1.00 15.20 C ATOM 559 O ALA A 74 -3.080 15.019 7.950 1.00 15.01 O ATOM 560 CB ALA A 74 -4.521 16.934 6.237 1.00 13.78 C ATOM 561 N SER A 75 -1.913 14.602 6.072 1.00 14.42 N ATOM 562 CA SER A 75 -0.769 14.073 6.801 1.00 14.74 C ATOM 563 C SER A 75 0.568 14.640 6.320 1.00 14.78 C ATOM 564 O SER A 75 0.804 15.846 6.386 1.00 13.80 O ATOM 565 CB SER A 75 -0.783 12.537 6.689 1.00 14.57 C ATOM 566 OG SER A 75 0.259 11.935 7.433 1.00 14.51 O ATOM 567 N ARG A 76 1.434 13.758 5.831 1.00 12.94 N ATOM 568 CA ARG A 76 2.768 14.121 5.355 1.00 14.24 C ATOM 569 C ARG A 76 2.797 15.292 4.380 1.00 13.88 C ATOM 570 O ARG A 76 2.178 15.248 3.317 1.00 14.27 O ATOM 571 CB ARG A 76 3.421 12.895 4.706 1.00 15.50 C ATOM 572 CG ARG A 76 4.936 12.947 4.632 1.00 17.42 C ATOM 573 CD ARG A 76 5.488 11.571 4.258 1.00 18.37 C ATOM 574 NE ARG A 76 5.245 11.229 2.859 1.00 19.51 N ATOM 575 CZ ARG A 76 5.025 9.994 2.411 1.00 16.50 C ATOM 576 NH1 ARG A 76 5.003 8.965 3.249 1.00 15.21 N ATOM 577 NH2 ARG A 76 4.849 9.780 1.114 1.00 13.45 N ATOM 578 N GLY A 77 3.527 16.340 4.750 1.00 13.30 N ATOM 579 CA GLY A 77 3.638 17.507 3.891 1.00 13.57 C ATOM 580 C GLY A 77 2.321 18.188 3.582 1.00 14.99 C ATOM 581 O GLY A 77 2.214 18.917 2.596 1.00 15.57 O ATOM 582 N GLY A 78 1.313 17.944 4.411 1.00 14.73 N ATOM 583 CA GLY A 78 0.018 18.566 4.198 1.00 16.82 C ATOM 584 C GLY A 78 -0.859 17.856 3.184 1.00 17.53 C ATOM 585 O GLY A 78 -2.008 18.248 2.971 1.00 18.84 O ATOM 586 N ALA A 79 -0.327 16.813 2.554 1.00 16.34 N ATOM 587 CA ALA A 79 -1.092 16.065 1.564 1.00 15.36 C ATOM 588 C ALA A 79 -2.058 15.099 2.252 1.00 16.41 C ATOM 589 O ALA A 79 -1.771 14.610 3.343 1.00 17.18 O ATOM 590 CB ALA A 79 -0.141 15.304 0.645 1.00 17.73 C ATOM 591 N ARG A 80 -3.202 14.828 1.619 1.00 16.27 N ATOM 592 CA ARG A 80 -4.189 13.907 2.188 1.00 16.98 C ATOM 593 C ARG A 80 -3.880 12.470 1.802 1.00 16.61 C ATOM 594 O ARG A 80 -3.825 12.132 0.617 1.00 16.23 O ATOM 595 CB ARG A 80 -5.607 14.256 1.723 1.00 17.51 C ATOM 596 CG ARG A 80 -6.178 15.533 2.328 1.00 20.82 C ATOM 597 CD ARG A 80 -7.637 15.715 1.927 1.00 27.32 C ATOM 598 NE ARG A 80 -8.251 16.911 2.505 1.00 32.77 N ATOM 599 CZ ARG A 80 -8.478 17.095 3.803 1.00 35.65 C ATOM 600 NH1 ARG A 80 -8.143 16.162 4.686 1.00 37.87 N ATOM 601 NH2 ARG A 80 -9.053 18.216 4.221 1.00 38.02 N ATOM 602 N PHE A 81 -3.667 11.626 2.805 1.00 14.26 N ATOM 603 CA PHE A 81 -3.367 10.225 2.553 1.00 13.79 C ATOM 604 C PHE A 81 -4.597 9.350 2.744 1.00 13.64 C ATOM 605 O PHE A 81 -5.393 9.557 3.663 1.00 13.25 O ATOM 606 CB PHE A 81 -2.241 9.734 3.475 1.00 13.58 C ATOM 607 CG PHE A 81 -0.864 10.160 3.033 1.00 12.99 C ATOM 608 CD1 PHE A 81 -0.472 11.489 3.112 1.00 13.90 C ATOM 609 CD2 PHE A 81 0.029 9.229 2.509 1.00 14.69 C ATOM 610 CE1 PHE A 81 0.792 11.889 2.673 1.00 14.96 C ATOM 611 CE2 PHE A 81 1.292 9.616 2.068 1.00 13.52 C ATOM 612 CZ PHE A 81 1.674 10.948 2.149 1.00 14.77 C ATOM 613 N PRO A 82 -4.776 8.359 1.861 1.00 12.18 N ATOM 614 CA PRO A 82 -5.934 7.475 1.986 1.00 11.67 C ATOM 615 C PRO A 82 -5.698 6.472 3.109 1.00 11.86 C ATOM 616 O PRO A 82 -4.722 5.721 3.079 1.00 12.97 O ATOM 617 CB PRO A 82 -6.015 6.815 0.611 1.00 11.97 C ATOM 618 CG PRO A 82 -4.582 6.737 0.190 1.00 11.23 C ATOM 619 CD PRO A 82 -4.005 8.071 0.638 1.00 12.67 C ATOM 620 N HIS A 83 -6.592 6.481 4.096 1.00 12.51 N ATOM 621 CA HIS A 83 -6.524 5.585 5.248 1.00 12.28 C ATOM 622 C HIS A 83 -7.786 4.709 5.261 1.00 13.79 C ATOM 623 O HIS A 83 -8.902 5.227 5.342 1.00 14.84 O ATOM 624 CB HIS A 83 -6.452 6.394 6.551 1.00 13.03 C ATOM 625 CG HIS A 83 -5.203 7.212 6.705 1.00 10.92 C ATOM 626 ND1 HIS A 83 -4.054 6.974 5.982 1.00 13.46 N ATOM 627 CD2 HIS A 83 -4.902 8.214 7.566 1.00 9.24 C ATOM 628 CE1 HIS A 83 -3.097 7.790 6.394 1.00 7.51 C ATOM 629 NE2 HIS A 83 -3.586 8.551 7.356 1.00 14.39 N ATOM 630 N LEU A 84 -7.610 3.389 5.193 1.00 13.67 N ATOM 631 CA LEU A 84 -8.749 2.468 5.178 1.00 14.07 C ATOM 632 C LEU A 84 -8.990 1.880 6.564 1.00 14.06 C ATOM 633 O LEU A 84 -8.190 1.092 7.067 1.00 14.84 O ATOM 634 CB LEU A 84 -8.517 1.339 4.164 1.00 13.14 C ATOM 635 CG LEU A 84 -9.686 0.362 3.975 1.00 14.45 C ATOM 636 CD1 LEU A 84 -10.909 1.118 3.467 1.00 12.10 C ATOM 637 CD2 LEU A 84 -9.292 -0.742 2.997 1.00 15.24 C ATOM 638 N TYR A 85 -10.107 2.271 7.168 1.00 14.47 N ATOM 639 CA TYR A 85 -10.456 1.818 8.504 1.00 15.21 C ATOM 640 C TYR A 85 -11.209 0.496 8.529 1.00 17.09 C ATOM 641 O TYR A 85 -12.271 0.377 9.147 1.00 17.94 O ATOM 642 CB TYR A 85 -11.258 2.905 9.224 1.00 14.12 C ATOM 643 CG TYR A 85 -10.407 4.091 9.626 1.00 13.53 C ATOM 644 CD1 TYR A 85 -9.891 4.971 8.673 1.00 13.20 C ATOM 645 CD2 TYR A 85 -10.075 4.303 10.962 1.00 11.95 C ATOM 646 CE1 TYR A 85 -9.057 6.035 9.051 1.00 10.69 C ATOM 647 CE2 TYR A 85 -9.251 5.353 11.345 1.00 11.84 C ATOM 648 CZ TYR A 85 -8.746 6.212 10.395 1.00 10.92 C ATOM 649 OH TYR A 85 -7.938 7.246 10.806 1.00 10.85 O ATOM 650 N ARG A 86 -10.633 -0.494 7.856 1.00 17.78 N ATOM 651 CA ARG A 86 -11.185 -1.843 7.780 1.00 18.81 C ATOM 652 C ARG A 86 -10.222 -2.663 6.937 1.00 18.45 C ATOM 653 O ARG A 86 -9.436 -2.109 6.172 1.00 16.90 O ATOM 654 CB ARG A 86 -12.566 -1.843 7.116 1.00 19.00 C ATOM 655 CG ARG A 86 -12.585 -1.467 5.633 1.00 18.19 C ATOM 656 CD ARG A 86 -13.978 -1.729 5.051 1.00 19.17 C ATOM 657 NE ARG A 86 -14.139 -1.312 3.659 1.00 17.79 N ATOM 658 CZ ARG A 86 -13.589 -1.916 2.607 1.00 18.00 C ATOM 659 NH1 ARG A 86 -12.819 -2.987 2.764 1.00 19.24 N ATOM 660 NH2 ARG A 86 -13.823 -1.448 1.387 1.00 18.05 N ATOM 661 N PRO A 87 -10.257 -3.994 7.072 1.00 17.89 N ATOM 662 CA PRO A 87 -9.336 -4.793 6.259 1.00 18.46 C ATOM 663 C PRO A 87 -9.611 -4.628 4.765 1.00 18.65 C ATOM 664 O PRO A 87 -10.741 -4.350 4.356 1.00 18.54 O ATOM 665 CB PRO A 87 -9.573 -6.221 6.761 1.00 19.16 C ATOM 666 CG PRO A 87 -10.964 -6.169 7.340 1.00 21.18 C ATOM 667 CD PRO A 87 -11.001 -4.837 8.020 1.00 19.34 C ATOM 668 N LEU A 88 -8.566 -4.773 3.955 1.00 17.20 N ATOM 669 CA LEU A 88 -8.706 -4.653 2.509 1.00 16.60 C ATOM 670 C LEU A 88 -9.004 -6.024 1.925 1.00 16.91 C ATOM 671 O LEU A 88 -8.232 -6.965 2.095 1.00 16.27 O ATOM 672 CB LEU A 88 -7.423 -4.102 1.890 1.00 15.03 C ATOM 673 CG LEU A 88 -7.327 -4.017 0.369 1.00 16.80 C ATOM 674 CD1 LEU A 88 -8.287 -2.956 -0.145 1.00 15.73 C ATOM 675 CD2 LEU A 88 -5.899 -3.682 -0.023 1.00 15.41 C ATOM 676 N LEU A 89 -10.136 -6.137 1.244 1.00 16.93 N ATOM 677 CA LEU A 89 -10.525 -7.397 0.632 1.00 17.13 C ATOM 678 C LEU A 89 -9.564 -7.751 -0.491 1.00 17.86 C ATOM 679 O LEU A 89 -9.098 -6.874 -1.220 1.00 16.55 O ATOM 680 CB LEU A 89 -11.945 -7.288 0.076 1.00 18.27 C ATOM 681 CG LEU A 89 -13.113 -7.900 0.854 1.00 18.26 C ATOM 682 CD1 LEU A 89 -12.921 -7.767 2.353 1.00 19.89 C ATOM 683 CD2 LEU A 89 -14.397 -7.233 0.393 1.00 18.16 C ATOM 684 N VAL A 90 -9.256 -9.037 -0.627 1.00 17.64 N ATOM 685 CA VAL A 90 -8.361 -9.470 -1.693 1.00 18.15 C ATOM 686 C VAL A 90 -9.012 -9.120 -3.026 1.00 18.09 C ATOM 687 O VAL A 90 -8.329 -8.764 -3.987 1.00 16.10 O ATOM 688 CB VAL A 90 -8.093 -10.995 -1.620 1.00 18.06 C ATOM 689 CG1 VAL A 90 -7.378 -11.469 -2.874 1.00 21.17 C ATOM 690 CG2 VAL A 90 -7.246 -11.305 -0.398 1.00 18.65 C ATOM 691 N SER A 91 -10.341 -9.200 -3.064 1.00 18.65 N ATOM 692 CA SER A 91 -11.108 -8.898 -4.272 1.00 19.19 C ATOM 693 C SER A 91 -11.117 -7.411 -4.622 1.00 19.42 C ATOM 694 O SER A 91 -11.503 -7.030 -5.729 1.00 19.81 O ATOM 695 CB SER A 91 -12.555 -9.379 -4.117 1.00 19.53 C ATOM 696 OG SER A 91 -13.218 -8.698 -3.064 1.00 19.04 O ATOM 697 N GLU A 92 -10.699 -6.571 -3.685 1.00 18.52 N ATOM 698 CA GLU A 92 -10.688 -5.134 -3.932 1.00 18.66 C ATOM 699 C GLU A 92 -9.393 -4.653 -4.582 1.00 19.09 C ATOM 700 O GLU A 92 -9.242 -3.469 -4.896 1.00 18.39 O ATOM 701 CB GLU A 92 -10.955 -4.382 -2.625 1.00 17.45 C ATOM 702 CG GLU A 92 -12.368 -4.594 -2.102 1.00 18.79 C ATOM 703 CD GLU A 92 -12.642 -3.889 -0.791 1.00 17.57 C ATOM 704 OE1 GLU A 92 -11.821 -4.020 0.141 1.00 18.11 O ATOM 705 OE2 GLU A 92 -13.691 -3.212 -0.688 1.00 18.60 O ATOM 706 N VAL A 93 -8.460 -5.576 -4.788 1.00 18.05 N ATOM 707 CA VAL A 93 -7.196 -5.241 -5.427 1.00 17.41 C ATOM 708 C VAL A 93 -7.379 -5.367 -6.935 1.00 19.98 C ATOM 709 O VAL A 93 -7.735 -6.436 -7.431 1.00 18.66 O ATOM 710 CB VAL A 93 -6.065 -6.195 -4.987 1.00 17.51 C ATOM 711 CG1 VAL A 93 -4.825 -5.935 -5.819 1.00 17.08 C ATOM 712 CG2 VAL A 93 -5.760 -6.000 -3.511 1.00 15.89 C ATOM 713 N THR A 94 -7.133 -4.279 -7.661 1.00 20.24 N ATOM 714 CA THR A 94 -7.286 -4.287 -9.112 1.00 22.33 C ATOM 715 C THR A 94 -6.114 -4.998 -9.786 1.00 22.79 C ATOM 716 O THR A 94 -6.304 -5.747 -10.745 1.00 21.75 O ATOM 717 CB THR A 94 -7.422 -2.853 -9.660 1.00 23.92 C ATOM 718 OG1 THR A 94 -6.200 -2.134 -9.452 1.00 29.66 O ATOM 719 CG2 THR A 94 -8.550 -2.127 -8.944 1.00 24.53 C ATOM 720 N ARG A 95 -4.903 -4.764 -9.289 1.00 21.62 N ATOM 721 CA ARG A 95 -3.727 -5.430 -9.838 1.00 22.40 C ATOM 722 C ARG A 95 -2.542 -5.379 -8.884 1.00 21.67 C ATOM 723 O ARG A 95 -2.427 -4.470 -8.060 1.00 20.08 O ATOM 724 CB ARG A 95 -3.328 -4.837 -11.196 1.00 25.28 C ATOM 725 CG ARG A 95 -2.833 -3.405 -11.175 1.00 28.74 C ATOM 726 CD ARG A 95 -2.100 -3.075 -12.478 1.00 31.76 C ATOM 727 NE ARG A 95 -1.877 -1.640 -12.641 1.00 34.99 N ATOM 728 CZ ARG A 95 -2.807 -0.782 -13.057 1.00 35.64 C ATOM 729 NH1 ARG A 95 -4.025 -1.216 -13.359 1.00 37.20 N ATOM 730 NH2 ARG A 95 -2.523 0.510 -13.163 1.00 35.23 N ATOM 731 N GLU A 96 -1.671 -6.374 -9.001 1.00 19.80 N ATOM 732 CA GLU A 96 -0.487 -6.466 -8.163 1.00 20.05 C ATOM 733 C GLU A 96 0.757 -6.576 -9.025 1.00 21.45 C ATOM 734 O GLU A 96 0.676 -6.876 -10.218 1.00 22.98 O ATOM 735 CB GLU A 96 -0.575 -7.683 -7.241 1.00 19.58 C ATOM 736 CG GLU A 96 -0.804 -8.999 -7.964 1.00 20.42 C ATOM 737 CD GLU A 96 -0.714 -10.190 -7.029 1.00 21.21 C ATOM 738 OE1 GLU A 96 0.415 -10.582 -6.668 1.00 20.09 O ATOM 739 OE2 GLU A 96 -1.774 -10.727 -6.642 1.00 20.99 O ATOM 740 N ALA A 97 1.908 -6.344 -8.406 1.00 18.91 N ATOM 741 CA ALA A 97 3.180 -6.407 -9.107 1.00 19.55 C ATOM 742 C ALA A 97 4.311 -6.589 -8.116 1.00 18.25 C ATOM 743 O ALA A 97 4.276 -6.039 -7.010 1.00 18.77 O ATOM 744 CB ALA A 97 3.394 -5.129 -9.901 1.00 17.30 C ATOM 745 N ASP A 98 5.312 -7.373 -8.501 1.00 18.51 N ATOM 746 CA ASP A 98 6.457 -7.580 -7.629 1.00 18.81 C ATOM 747 C ASP A 98 7.432 -6.453 -7.920 1.00 17.59 C ATOM 748 O ASP A 98 7.727 -6.159 -9.077 1.00 19.09 O ATOM 749 CB ASP A 98 7.109 -8.935 -7.896 1.00 19.72 C ATOM 750 CG ASP A 98 6.167 -10.092 -7.636 1.00 22.12 C ATOM 751 OD1 ASP A 98 5.428 -10.053 -6.628 1.00 21.76 O ATOM 752 OD2 ASP A 98 6.175 -11.047 -8.440 1.00 25.77 O ATOM 753 N LEU A 99 7.925 -5.820 -6.865 1.00 16.58 N ATOM 754 CA LEU A 99 8.838 -4.693 -6.998 1.00 14.90 C ATOM 755 C LEU A 99 10.316 -5.053 -7.001 1.00 15.46 C ATOM 756 O LEU A 99 10.726 -6.057 -6.417 1.00 17.10 O ATOM 757 CB LEU A 99 8.574 -3.693 -5.873 1.00 14.94 C ATOM 758 CG LEU A 99 7.182 -3.061 -5.829 1.00 13.35 C ATOM 759 CD1 LEU A 99 7.034 -2.244 -4.558 1.00 12.22 C ATOM 760 CD2 LEU A 99 6.979 -2.189 -7.060 1.00 11.61 C ATOM 761 N ASP A 100 11.101 -4.213 -7.673 1.00 15.69 N ATOM 762 CA ASP A 100 12.548 -4.369 -7.767 1.00 16.70 C ATOM 763 C ASP A 100 13.163 -3.158 -7.067 1.00 16.32 C ATOM 764 O ASP A 100 12.555 -2.092 -7.019 1.00 16.94 O ATOM 765 CB ASP A 100 13.016 -4.377 -9.230 1.00 18.95 C ATOM 766 CG ASP A 100 12.458 -5.545 -10.026 1.00 22.34 C ATOM 767 OD1 ASP A 100 12.551 -6.692 -9.543 1.00 22.89 O ATOM 768 OD2 ASP A 100 11.938 -5.311 -11.138 1.00 25.75 O ATOM 769 N LEU A 101 14.368 -3.324 -6.535 1.00 15.05 N ATOM 770 CA LEU A 101 15.065 -2.241 -5.838 1.00 16.65 C ATOM 771 C LEU A 101 16.088 -1.578 -6.753 1.00 16.22 C ATOM 772 O LEU A 101 16.644 -2.232 -7.638 1.00 16.31 O ATOM 773 CB LEU A 101 15.795 -2.796 -4.615 1.00 17.21 C ATOM 774 CG LEU A 101 15.145 -2.882 -3.229 1.00 19.67 C ATOM 775 CD1 LEU A 101 13.655 -3.107 -3.313 1.00 18.61 C ATOM 776 CD2 LEU A 101 15.834 -3.990 -2.454 1.00 19.77 C ATOM 777 N ASP A 102 16.329 -0.283 -6.561 1.00 15.79 N ATOM 778 CA ASP A 102 17.342 0.398 -7.363 1.00 14.72 C ATOM 779 C ASP A 102 18.657 0.298 -6.596 1.00 17.03 C ATOM 780 O ASP A 102 18.731 -0.412 -5.586 1.00 15.45 O ATOM 781 CB ASP A 102 16.956 1.860 -7.650 1.00 14.51 C ATOM 782 CG ASP A 102 16.876 2.723 -6.402 1.00 15.72 C ATOM 783 OD1 ASP A 102 16.298 3.829 -6.509 1.00 16.36 O ATOM 784 OD2 ASP A 102 17.388 2.323 -5.331 1.00 15.86 O ATOM 785 N ALA A 103 19.689 0.993 -7.070 1.00 18.01 N ATOM 786 CA ALA A 103 21.009 0.945 -6.443 1.00 19.50 C ATOM 787 C ALA A 103 21.032 1.369 -4.977 1.00 20.37 C ATOM 788 O ALA A 103 21.863 0.893 -4.203 1.00 21.66 O ATOM 789 CB ALA A 103 21.991 1.796 -7.243 1.00 20.98 C ATOM 790 N ASP A 104 20.122 2.261 -4.601 1.00 19.19 N ATOM 791 CA ASP A 104 20.052 2.746 -3.226 1.00 19.76 C ATOM 792 C ASP A 104 19.185 1.851 -2.348 1.00 18.77 C ATOM 793 O ASP A 104 19.013 2.117 -1.158 1.00 18.63 O ATOM 794 CB ASP A 104 19.487 4.165 -3.191 1.00 20.30 C ATOM 795 CG ASP A 104 20.259 5.116 -4.074 1.00 22.63 C ATOM 796 OD1 ASP A 104 21.506 5.031 -4.083 1.00 23.62 O ATOM 797 OD2 ASP A 104 19.618 5.953 -4.748 1.00 23.90 O ATOM 798 N GLY A 105 18.639 0.795 -2.942 1.00 18.12 N ATOM 799 CA GLY A 105 17.789 -0.112 -2.195 1.00 16.03 C ATOM 800 C GLY A 105 16.354 0.378 -2.133 1.00 15.51 C ATOM 801 O GLY A 105 15.532 -0.167 -1.394 1.00 17.84 O ATOM 802 N VAL A 106 16.051 1.416 -2.906 1.00 13.38 N ATOM 803 CA VAL A 106 14.703 1.982 -2.935 1.00 12.98 C ATOM 804 C VAL A 106 13.837 1.251 -3.962 1.00 13.09 C ATOM 805 O VAL A 106 14.242 1.068 -5.114 1.00 14.15 O ATOM 806 CB VAL A 106 14.727 3.483 -3.313 1.00 14.00 C ATOM 807 CG1 VAL A 106 13.298 4.034 -3.384 1.00 12.89 C ATOM 808 CG2 VAL A 106 15.552 4.260 -2.303 1.00 16.57 C ATOM 809 N PRO A 107 12.639 0.810 -3.552 1.00 12.54 N ATOM 810 CA PRO A 107 11.728 0.103 -4.460 1.00 11.98 C ATOM 811 C PRO A 107 11.323 1.024 -5.619 1.00 12.40 C ATOM 812 O PRO A 107 10.962 2.182 -5.402 1.00 13.77 O ATOM 813 CB PRO A 107 10.540 -0.238 -3.560 1.00 10.86 C ATOM 814 CG PRO A 107 11.173 -0.351 -2.184 1.00 11.10 C ATOM 815 CD PRO A 107 12.097 0.841 -2.180 1.00 10.38 C ATOM 816 N GLN A 108 11.382 0.517 -6.846 1.00 12.14 N ATOM 817 CA GLN A 108 11.018 1.330 -8.006 1.00 13.13 C ATOM 818 C GLN A 108 9.527 1.221 -8.317 1.00 12.89 C ATOM 819 O GLN A 108 9.041 0.145 -8.658 1.00 12.54 O ATOM 820 CB GLN A 108 11.824 0.901 -9.237 1.00 15.61 C ATOM 821 CG GLN A 108 13.329 1.059 -9.103 1.00 17.95 C ATOM 822 CD GLN A 108 14.059 0.786 -10.409 1.00 19.89 C ATOM 823 OE1 GLN A 108 13.997 -0.318 -10.951 1.00 21.63 O ATOM 824 NE2 GLN A 108 14.753 1.798 -10.922 1.00 20.30 N ATOM 825 N LEU A 109 8.803 2.332 -8.209 1.00 13.15 N ATOM 826 CA LEU A 109 7.366 2.326 -8.494 1.00 14.34 C ATOM 827 C LEU A 109 7.031 3.036 -9.801 1.00 13.79 C ATOM 828 O LEU A 109 5.924 2.902 -10.320 1.00 15.30 O ATOM 829 CB LEU A 109 6.582 3.010 -7.370 1.00 12.90 C ATOM 830 CG LEU A 109 6.687 2.495 -5.936 1.00 15.41 C ATOM 831 CD1 LEU A 109 5.451 2.957 -5.173 1.00 14.80 C ATOM 832 CD2 LEU A 109 6.778 0.995 -5.911 1.00 15.22 C ATOM 833 N GLY A 110 7.996 3.791 -10.316 1.00 14.18 N ATOM 834 CA GLY A 110 7.811 4.554 -11.537 1.00 14.67 C ATOM 835 C GLY A 110 6.966 3.959 -12.649 1.00 16.12 C ATOM 836 O GLY A 110 5.880 4.462 -12.946 1.00 14.99 O ATOM 837 N ASP A 111 7.457 2.898 -13.279 1.00 15.75 N ATOM 838 CA ASP A 111 6.723 2.284 -14.381 1.00 17.87 C ATOM 839 C ASP A 111 5.353 1.736 -13.997 1.00 18.06 C ATOM 840 O ASP A 111 4.433 1.722 -14.816 1.00 19.49 O ATOM 841 CB ASP A 111 7.566 1.184 -15.030 1.00 18.10 C ATOM 842 CG ASP A 111 8.825 1.728 -15.675 1.00 20.18 C ATOM 843 OD1 ASP A 111 8.818 2.906 -16.084 1.00 19.15 O ATOM 844 OD2 ASP A 111 9.816 0.978 -15.788 1.00 23.95 O ATOM 845 N HIS A 112 5.205 1.290 -12.755 1.00 17.34 N ATOM 846 CA HIS A 112 3.922 0.770 -12.318 1.00 19.17 C ATOM 847 C HIS A 112 2.912 1.888 -12.111 1.00 19.60 C ATOM 848 O HIS A 112 1.736 1.733 -12.429 1.00 20.84 O ATOM 849 CB HIS A 112 4.092 -0.054 -11.043 1.00 20.29 C ATOM 850 CG HIS A 112 4.881 -1.306 -11.255 1.00 24.01 C ATOM 851 ND1 HIS A 112 6.165 -1.468 -10.780 1.00 25.77 N ATOM 852 CD2 HIS A 112 4.597 -2.425 -11.963 1.00 24.29 C ATOM 853 CE1 HIS A 112 6.640 -2.631 -11.191 1.00 26.48 C ATOM 854 NE2 HIS A 112 5.709 -3.230 -11.911 1.00 26.94 N ATOM 855 N LEU A 113 3.368 3.022 -11.589 1.00 19.15 N ATOM 856 CA LEU A 113 2.475 4.150 -11.369 1.00 18.84 C ATOM 857 C LEU A 113 2.064 4.765 -12.702 1.00 21.41 C ATOM 858 O LEU A 113 0.961 5.294 -12.842 1.00 20.48 O ATOM 859 CB LEU A 113 3.162 5.211 -10.503 1.00 18.56 C ATOM 860 CG LEU A 113 3.459 4.792 -9.062 1.00 18.24 C ATOM 861 CD1 LEU A 113 4.222 5.902 -8.341 1.00 19.68 C ATOM 862 CD2 LEU A 113 2.143 4.481 -8.340 1.00 20.02 C ATOM 863 N ALA A 114 2.963 4.683 -13.677 1.00 23.15 N ATOM 864 CA ALA A 114 2.726 5.238 -15.006 1.00 25.34 C ATOM 865 C ALA A 114 1.565 4.558 -15.720 1.00 27.46 C ATOM 866 O ALA A 114 0.967 5.127 -16.634 1.00 28.92 O ATOM 867 CB ALA A 114 3.995 5.120 -15.847 1.00 24.70 C ATOM 868 N LEU A 115 1.247 3.339 -15.301 1.00 28.89 N ATOM 869 CA LEU A 115 0.159 2.589 -15.910 1.00 30.85 C ATOM 870 C LEU A 115 -1.186 3.279 -15.714 1.00 31.97 C ATOM 871 O LEU A 115 -1.992 3.254 -16.667 1.00 33.84 O ATOM 872 CB LEU A 115 0.117 1.171 -15.339 1.00 29.06 C ATOM 873 CG LEU A 115 1.395 0.361 -15.578 1.00 28.60 C ATOM 874 CD1 LEU A 115 1.212 -1.044 -15.032 1.00 29.22 C ATOM 875 CD2 LEU A 115 1.716 0.322 -17.071 1.00 28.32 C ATOM 876 OXT LEU A 115 -1.422 3.835 -14.619 1.00 31.58 O HETATM 877 O HOH A 116 6.124 16.832 2.919 1.00 11.67 O HETATM 878 O HOH A 117 -1.148 -10.290 5.826 1.00 11.80 O HETATM 879 O HOH A 118 5.035 8.777 -6.244 1.00 13.08 O HETATM 880 O HOH A 119 6.191 10.305 -4.262 1.00 5.50 O HETATM 881 O HOH A 120 4.553 9.204 6.440 1.00 16.70 O HETATM 882 O HOH A 121 -11.710 -10.995 -1.017 1.00 11.52 O HETATM 883 O HOH A 122 3.186 -2.964 4.563 1.00 8.88 O HETATM 884 O HOH A 123 1.715 1.212 2.185 1.00 20.50 O HETATM 885 O HOH A 124 9.772 -2.385 -9.454 1.00 11.16 O HETATM 886 O HOH A 125 -0.740 17.629 7.750 1.00 13.73 O HETATM 887 O HOH A 126 10.912 4.196 -9.970 1.00 18.09 O HETATM 888 O HOH A 127 13.220 2.357 4.861 1.00 13.20 O HETATM 889 O HOH A 128 5.957 12.677 -2.847 1.00 13.82 O HETATM 890 O HOH A 129 -4.334 19.543 2.638 1.00 14.29 O HETATM 891 O HOH A 130 19.607 4.103 0.566 1.00 12.96 O HETATM 892 O HOH A 131 13.092 -1.277 5.200 1.00 15.16 O HETATM 893 O HOH A 132 11.244 -3.565 -4.742 1.00102.35 O HETATM 894 O HOH A 133 1.542 3.049 -0.054 1.00 15.42 O HETATM 895 O HOH A 134 16.883 5.952 -5.331 1.00 15.68 O HETATM 896 O HOH A 135 2.624 -0.725 6.250 1.00 17.81 O HETATM 897 O HOH A 136 -11.332 -1.304 -5.081 1.00 27.64 O HETATM 898 O HOH A 137 5.268 7.294 -12.914 1.00 18.53 O HETATM 899 O HOH A 138 3.310 14.338 0.785 1.00 11.98 O HETATM 900 O HOH A 139 -7.365 -20.502 3.505 1.00 18.93 O HETATM 901 O HOH A 140 -8.243 -15.086 -1.029 1.00 18.84 O HETATM 902 O HOH A 141 18.606 -4.793 2.278 1.00 19.30 O HETATM 903 O HOH A 142 -1.744 6.189 -10.235 1.00 24.69 O HETATM 904 O HOH A 143 2.845 -15.917 4.196 1.00 22.62 O HETATM 905 O HOH A 144 8.003 -11.663 2.195 1.00 18.73 O HETATM 906 O HOH A 145 -16.137 0.911 3.799 1.00 24.68 O HETATM 907 O HOH A 146 0.505 5.895 3.942 1.00 11.47 O HETATM 908 O HOH A 147 22.060 -0.034 -1.533 1.00 19.23 O HETATM 909 O HOH A 148 4.351 12.141 -0.171 1.00 17.12 O HETATM 910 O HOH A 149 4.208 -5.756 9.100 1.00 20.45 O HETATM 911 O HOH A 150 19.726 -2.637 -4.157 1.00 21.94 O HETATM 912 O HOH A 151 -3.657 -9.696 7.040 1.00 22.54 O HETATM 913 O HOH A 152 5.154 -8.418 -11.110 1.00 17.75 O HETATM 914 O HOH A 153 -2.356 -8.211 -11.128 1.00 24.53 O HETATM 915 O HOH A 154 -3.402 7.764 -7.618 1.00 21.40 O HETATM 916 O HOH A 155 5.160 -4.790 5.002 1.00 27.40 O HETATM 917 O HOH A 156 6.876 -9.911 6.089 1.00 25.61 O HETATM 918 O HOH A 157 15.444 -6.006 -6.639 1.00 19.26 O HETATM 919 O HOH A 158 -12.182 11.609 3.392 1.00 25.08 O HETATM 920 O HOH A 159 7.388 15.640 -0.793 1.00 22.80 O HETATM 921 O HOH A 160 -15.750 -10.659 -3.659 1.00 30.95 O HETATM 922 O HOH A 161 -13.121 -5.426 5.167 1.00 16.11 O HETATM 923 O HOH A 162 -3.017 -12.945 -6.699 1.00 23.65 O HETATM 924 O HOH A 163 5.240 12.744 -6.897 1.00 21.81 O HETATM 925 O HOH A 164 8.616 14.887 2.771 1.00 22.72 O HETATM 926 O HOH A 165 -14.884 -6.740 -3.953 1.00 18.65 O HETATM 927 O HOH A 166 0.090 -3.142 -8.591 1.00 22.50 O HETATM 928 O HOH A 167 1.313 19.608 0.177 1.00 16.13 O HETATM 929 O HOH A 168 -9.563 2.712 14.329 1.00 29.03 O HETATM 930 O HOH A 169 13.528 4.012 -6.889 1.00 22.05 O HETATM 931 O HOH A 170 8.201 6.654 -9.168 1.00 16.19 O HETATM 932 O HOH A 171 7.791 -4.850 5.357 1.00 26.18 O HETATM 933 O HOH A 172 -3.480 15.882 -0.976 1.00 23.60 O HETATM 934 O HOH A 173 15.080 4.579 -9.148 1.00 28.73 O HETATM 935 O HOH A 174 -15.873 -4.153 1.299 1.00 20.41 O HETATM 936 O HOH A 175 -6.683 19.354 3.543 1.00 39.48 O HETATM 937 O HOH A 176 -13.876 5.761 -1.067 1.00 32.92 O HETATM 938 O HOH A 177 0.209 -13.212 -5.956 1.00 37.67 O HETATM 939 O HOH A 178 -0.677 1.458 -11.586 1.00 22.83 O HETATM 940 O HOH A 179 8.985 -0.072 7.455 1.00 30.45 O HETATM 941 O HOH A 180 -5.186 6.771 -10.436 1.00 22.46 O HETATM 942 O HOH A 181 -5.624 -2.202 10.196 1.00 20.55 O HETATM 943 O HOH A 182 19.819 2.824 -9.188 1.00 33.66 O HETATM 944 O HOH A 183 -11.946 7.099 -7.107 1.00 42.34 O HETATM 945 O HOH A 184 -4.226 10.432 -7.302 1.00 28.16 O HETATM 946 O HOH A 185 2.640 -9.492 -7.925 1.00 38.57 O HETATM 947 O HOH A 186 9.895 -7.246 3.518 1.00 23.70 O HETATM 948 O HOH A 187 -1.950 12.023 -9.472 1.00 77.29 O HETATM 949 O HOH A 188 -1.548 -17.725 -0.097 1.00 22.73 O HETATM 950 O HOH A 189 8.268 -2.500 6.584 1.00 23.94 O HETATM 951 O HOH A 190 -12.154 8.269 -2.253 1.00 22.94 O HETATM 952 O HOH A 191 9.050 -8.898 1.197 1.00 35.75 O HETATM 953 O HOH A 192 -9.712 -0.044 11.031 1.00 28.25 O HETATM 954 O HOH A 193 8.641 -4.730 -11.212 1.00 29.37 O HETATM 955 O HOH A 194 13.320 7.459 5.779 1.00 71.87 O HETATM 956 O HOH A 195 -3.050 -16.224 6.658 1.00 31.07 O HETATM 957 O HOH A 196 5.586 11.817 7.762 1.00 32.88 O HETATM 958 O HOH A 197 -7.370 -11.970 12.428 1.00 39.53 O HETATM 959 O HOH A 198 -9.272 -18.380 8.956 1.00 65.61 O HETATM 960 O HOH A 199 -9.937 -11.183 12.323 1.00 45.23 O HETATM 961 O HOH A 200 -0.823 14.896 -4.430 1.00 40.59 O HETATM 962 O HOH A 201 -19.801 3.101 2.019 1.00 29.65 O HETATM 963 O HOH A 202 -12.656 -8.556 -7.585 1.00 32.46 O HETATM 964 O HOH A 203 7.940 -2.200 -13.965 1.00 34.81 O HETATM 965 O HOH A 204 4.662 -16.543 1.711 1.00 29.90 O HETATM 966 O HOH A 205 5.954 -4.280 -8.885 1.00 66.49 O HETATM 967 O HOH A 206 -9.958 -1.982 -2.414 1.00 87.78 O HETATM 968 O HOH A 207 -2.661 -8.584 9.107 1.00 29.24 O HETATM 969 O HOH A 208 -5.988 -2.141 14.821 1.00 30.54 O HETATM 970 O HOH A 209 6.991 -11.825 -4.551 1.00 33.40 O HETATM 971 O HOH A 210 -3.935 13.503 -1.553 1.00 37.07 O HETATM 972 O HOH A 211 8.991 5.216 -15.043 1.00 34.58 O HETATM 973 O HOH A 212 -3.158 3.929 17.787 1.00 46.02 O HETATM 974 O HOH A 213 4.219 -17.310 -2.921 1.00 33.88 O HETATM 975 O HOH A 214 0.815 -7.639 10.059 1.00 35.36 O HETATM 976 O HOH A 215 -13.110 -8.170 6.392 1.00 72.74 O HETATM 977 O HOH A 216 -14.095 4.771 10.599 1.00 69.00 O HETATM 978 O HOH A 217 -5.672 -11.796 6.762 1.00 30.92 O HETATM 979 O HOH A 218 -16.383 -0.729 8.935 1.00 36.17 O HETATM 980 O HOH A 219 -2.474 5.385 -12.788 1.00 34.19 O HETATM 981 O HOH A 220 8.512 12.326 5.655 1.00 36.65 O HETATM 982 O HOH A 221 -13.444 8.838 1.125 1.00 53.61 O HETATM 983 O HOH A 222 0.890 -3.590 0.028 1.00 69.67 O HETATM 984 O HOH A 223 13.259 -7.097 -4.840 1.00 35.02 O HETATM 985 O HOH A 224 -0.364 -17.182 -2.751 1.00 48.31 O HETATM 986 O HOH A 225 -14.810 -2.344 -2.969 1.00 32.80 O HETATM 987 O HOH A 226 8.350 10.224 9.686 1.00 54.05 O HETATM 988 O HOH A 227 -18.793 1.589 7.653 1.00 54.43 O HETATM 989 O HOH A 228 -10.544 14.852 3.349 1.00 30.66 O HETATM 990 O HOH A 229 -5.938 3.759 3.434 1.00 94.17 O HETATM 991 O HOH A 230 11.212 -5.610 -3.229 1.00 29.07 O HETATM 992 O HOH A 231 0.180 -1.271 -10.738 1.00 34.93 O HETATM 993 O HOH A 232 17.225 -6.821 -0.325 1.00 33.83 O HETATM 994 O HOH A 233 10.516 -8.824 -6.056 1.00 36.70 O HETATM 995 O HOH A 234 14.515 -8.225 2.413 1.00 34.83 O HETATM 996 O HOH A 235 -13.335 -2.080 10.684 1.00 40.16 O HETATM 997 O HOH A 236 1.921 -7.061 -12.607 1.00 41.45 O HETATM 998 O HOH A 237 15.020 -5.232 -12.035 1.00 40.72 O HETATM 999 O HOH A 238 5.340 -13.416 -8.994 1.00 48.28 O HETATM 1000 O HOH A 239 -2.442 13.004 -3.396 1.00 64.71 O HETATM 1001 O HOH A 240 -6.594 -9.772 -5.912 1.00 28.51 O HETATM 1002 O HOH A 241 -3.261 14.832 -6.572 1.00 59.43 O HETATM 1003 O HOH A 242 14.677 -1.569 -13.596 1.00 33.16 O HETATM 1004 O HOH A 243 1.302 -5.278 -2.772 1.00 75.67 O HETATM 1005 O HOH A 244 -2.489 5.908 -16.149 1.00 36.00 O HETATM 1006 O HOH A 245 -11.478 -8.223 10.313 1.00 46.15 O HETATM 1007 O HOH A 246 2.429 8.189 -0.069 1.00101.82 O HETATM 1008 O HOH A 247 -5.709 -8.937 12.700 1.00 38.24 O HETATM 1009 O HOH A 248 -2.141 -5.670 -6.038 1.00102.32 O HETATM 1010 O HOH A 249 9.099 -11.026 -7.186 1.00 44.18 O HETATM 1011 O HOH A 250 -5.807 -4.637 3.785 1.00100.39 O HETATM 1012 O HOH A 251 -5.345 0.253 16.778 1.00 38.98 O HETATM 1013 O HOH A 252 12.043 -12.726 1.567 1.00 44.99 O HETATM 1014 O HOH A 253 8.279 -9.542 -4.791 1.00 34.94 O HETATM 1015 O HOH A 254 -14.290 1.384 11.357 1.00 42.71 O HETATM 1016 O HOH A 255 -10.174 16.470 0.425 1.00 67.02 O HETATM 1017 O HOH A 256 -3.295 10.285 -0.976 1.00 91.03 O HETATM 1018 O HOH A 257 -4.109 -11.310 9.865 1.00 42.30 O HETATM 1019 O HOH A 258 7.396 0.860 10.424 1.00 40.04 O HETATM 1020 O HOH A 259 11.670 0.320 -17.376 1.00 32.41 O HETATM 1021 O HOH A 260 -10.233 12.198 9.776 1.00 36.92 O HETATM 1022 O HOH A 261 -0.020 7.562 -16.906 1.00 62.80 O HETATM 1023 O HOH A 262 -4.593 -0.617 -10.835 1.00 82.06 O HETATM 1024 O HOH A 263 -8.571 -6.356 -12.196 1.00 41.86 O HETATM 1025 O HOH A 264 -1.442 12.880 1.043 1.00 82.28 O HETATM 1026 O HOH A 265 -8.234 -3.757 -12.290 1.00101.18 O HETATM 1027 O HOH A 266 24.474 0.054 -4.281 1.00 60.85 O HETATM 1028 O HOH A 267 -4.440 -8.969 -7.590 1.00 34.44 O TER 1029 HOH A 267 ENDMDL MASTER END