HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JAN-08 3C4S TITLE CRYSTAL STRUCTURE OF THE SSL0352 PROTEIN FROM SYNECHOCYSTIS TITLE 2 SP. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SGR42 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SSL0352 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; SOURCE 3 ORGANISM_TAXID: 1148; SOURCE 4 STRAIN: PCC 6803; SOURCE 5 GENE: SSL0352; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21-23C KEYWDS P74795_SYNY3, SSL0352, NESG, SGR42, STRUCTURAL GENOMICS, KEYWDS 2 PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL KEYWDS 3 GENOMICS CONSORTIUM, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG,M.MAGLAQUI, AUTHOR 2 H.JANJUA,R.XIAO,T.B.ACTON,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 3C4S 1 VERSN REVDAT 1 12-FEB-08 3C4S 0 JRNL AUTH S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG, JRNL AUTH 2 M.MAGLAQUI,H.JANJUA,R.XIAO,T.B.ACTON, JRNL AUTH 3 G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF THE SSL0352 PROTEIN FROM JRNL TITL 2 SYNECHOCYSTIS SP. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.89 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1019206.950 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 94.6 REMARK 3 NUMBER OF REFLECTIONS : 30233 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) : 0.186 REMARK 3 FREE R VALUE : 0.194 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 1462 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 85.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4302 REMARK 3 BIN R VALUE (WORKING SET) : 0.1990 REMARK 3 BIN FREE R VALUE : 0.2070 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 219 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.014 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 894 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 149 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 14.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.48000 REMARK 3 B22 (A**2) : 0.37000 REMARK 3 B33 (A**2) : -0.86000 REMARK 3 B12 (A**2) : 0.82000 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) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : -0.04 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) : 0.19 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.05 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.90 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.69 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 : 0.42 REMARK 3 BSOL : 69.66 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: THE FRIEDEL PAIRS WERE USED IN REMARK 3 PHASING REMARK 4 REMARK 4 3C4S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-JAN-08. REMARK 100 THE RCSB ID CODE IS RCSB046340. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JAN-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97900 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 31765 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 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 (%) : 99.3 REMARK 200 DATA REDUNDANCY : 3.900 REMARK 200 R MERGE (I) : 0.05700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.3600 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.14500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 6.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2JZ2, CHAIN A REMARK 200 REMARK 200 REMARK: THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.63 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.44 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 30% JEFFAMINE M-600, 0.05M CESIUM REMARK 280 CHLORIDE, 0.1M MES PH 6.5, MICROBATCH UNDER OIL, TEMPERATURE REMARK 280 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 43.40000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 21.70000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 300 REMARK: AUTHORS STATE THAT THE BIOLOGICAL UNIT IS A MONOMER REMARK 300 ACCORDING TO AGGREGATION SCREENING. 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 350 REMARK 350 BIOMOLECULE: 2 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: B 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 ILE A 58 REMARK 465 LEU A 59 REMARK 465 GLU A 60 REMARK 465 HIS A 61 REMARK 465 HIS A 62 REMARK 465 HIS A 63 REMARK 465 HIS A 64 REMARK 465 HIS A 65 REMARK 465 HIS A 66 REMARK 465 MET B 1 REMARK 465 PRO B 57 REMARK 465 ILE B 58 REMARK 465 LEU B 59 REMARK 465 GLU B 60 REMARK 465 HIS B 61 REMARK 465 HIS B 62 REMARK 465 HIS B 63 REMARK 465 HIS B 64 REMARK 465 HIS B 65 REMARK 465 HIS B 66 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 MET A 1 CG SD CE 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 38 97.16 -166.88 REMARK 500 ARG B 19 -6.48 79.64 REMARK 500 ASN B 38 103.08 -162.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 159 DISTANCE = 8.04 ANGSTROMS REMARK 525 HOH B 178 DISTANCE = 5.51 ANGSTROMS REMARK 525 HOH A 222 DISTANCE = 5.31 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SGR42 RELATED DB: TARGETDB REMARK 900 RELATED ID: 2JZ2 RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF THE SAME PROTEIN DBREF 3C4S A 1 58 UNP P74795 P74795_SYNY3 1 58 DBREF 3C4S B 1 58 UNP P74795 P74795_SYNY3 1 58 SEQADV 3C4S LEU A 59 UNP P74795 EXPRESSION TAG SEQADV 3C4S GLU A 60 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 61 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 62 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 63 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 64 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 65 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS A 66 UNP P74795 EXPRESSION TAG SEQADV 3C4S LEU B 59 UNP P74795 EXPRESSION TAG SEQADV 3C4S GLU B 60 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 61 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 62 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 63 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 64 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 65 UNP P74795 EXPRESSION TAG SEQADV 3C4S HIS B 66 UNP P74795 EXPRESSION TAG SEQRES 1 A 66 MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL SEQRES 2 A 66 ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG SEQRES 3 A 66 VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY SEQRES 4 A 66 ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU SEQRES 5 A 66 GLU ALA VAL LYS PRO ILE LEU GLU HIS HIS HIS HIS HIS SEQRES 6 A 66 HIS SEQRES 1 B 66 MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL SEQRES 2 B 66 ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG SEQRES 3 B 66 VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY SEQRES 4 B 66 ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU SEQRES 5 B 66 GLU ALA VAL LYS PRO ILE LEU GLU HIS HIS HIS HIS HIS SEQRES 6 B 66 HIS FORMUL 3 HOH *149(H2 O) SHEET 1 A 5 TRP A 41 ARG A 48 0 SHEET 2 A 5 LYS A 31 ASN A 38 -1 N VAL A 34 O VAL A 45 SHEET 3 A 5 GLU A 21 SER A 28 -1 N GLN A 25 O ALA A 33 SHEET 4 A 5 THR A 7 VAL A 10 -1 N VAL A 8 O GLY A 22 SHEET 5 A 5 LEU A 52 VAL A 55 -1 O GLU A 53 N ARG A 9 SHEET 1 B 5 TRP B 41 ARG B 48 0 SHEET 2 B 5 LYS B 31 ASN B 38 -1 N VAL B 34 O VAL B 45 SHEET 3 B 5 GLU B 21 SER B 28 -1 N GLN B 25 O ALA B 33 SHEET 4 B 5 THR B 7 VAL B 10 -1 N VAL B 8 O GLY B 22 SHEET 5 B 5 LEU B 52 VAL B 55 -1 O VAL B 55 N THR B 7 CRYST1 44.606 44.606 65.100 90.00 90.00 120.00 P 32 6 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 0.022419 0.012943 0.000000 0.00000 SCALE2 0.000000 0.025887 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015361 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3C4S.PDB, MODEL/S 1 3C4S.PDB REMARK PdbStat -- SEQRES 1 A 261 MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL SEQRES 2 A 261 ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG SEQRES 3 A 261 VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY SEQRES 4 A 261 ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU SEQRES 5 A 261 GLU ALA VAL LYS PRO ILE PHE PRO GLY ALA THR VAL ARG SEQRES 6 A 261 VAL THR ASN VAL ASP ASP THR TYR TYR ARG PHE GLU GLY SEQRES 7 A 261 LEU VAL GLN ARG VAL SER ASP GLY LYS ALA ALA VAL LEU SEQRES 8 A 261 PHE GLU ASN GLY ASN TRP ASP LYS LEU VAL THR PHE ARG SEQRES 9 A 261 LEU SER GLU LEU GLU ALA VAL LYS HOH HOH HOH HOH HOH SEQRES 10 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 261 HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3C4S.PDB, MODEL/S 1 3C4S.PDB REMARK PdbStat -- SEQRES 1 A 261 MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL SEQRES 2 A 261 ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG SEQRES 3 A 261 VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY SEQRES 4 A 261 ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU SEQRES 5 A 261 GLU ALA VAL LYS PRO ILE PHE PRO GLY ALA THR VAL ARG SEQRES 6 A 261 VAL THR ASN VAL ASP ASP THR TYR TYR ARG PHE GLU GLY SEQRES 7 A 261 LEU VAL GLN ARG VAL SER ASP GLY LYS ALA ALA VAL LEU SEQRES 8 A 261 PHE GLU ASN GLY ASN TRP ASP LYS LEU VAL THR PHE ARG SEQRES 9 A 261 LEU SER GLU LEU GLU ALA VAL LYS HOH HOH HOH HOH HOH SEQRES 10 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 261 HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3C4S.PDB, MODEL/S 1 3C4S.PDB REMARK PdbStat -- SEQRES 1 A 261 MET ILE PHE PRO GLY ALA THR VAL ARG VAL THR ASN VAL SEQRES 2 A 261 ASP ASP THR TYR TYR ARG PHE GLU GLY LEU VAL GLN ARG SEQRES 3 A 261 VAL SER ASP GLY LYS ALA ALA VAL LEU PHE GLU ASN GLY SEQRES 4 A 261 ASN TRP ASP LYS LEU VAL THR PHE ARG LEU SER GLU LEU SEQRES 5 A 261 GLU ALA VAL LYS PRO ILE PHE PRO GLY ALA THR VAL ARG SEQRES 6 A 261 VAL THR ASN VAL ASP ASP THR TYR TYR ARG PHE GLU GLY SEQRES 7 A 261 LEU VAL GLN ARG VAL SER ASP GLY LYS ALA ALA VAL LEU SEQRES 8 A 261 PHE GLU ASN GLY ASN TRP ASP LYS LEU VAL THR PHE ARG SEQRES 9 A 261 LEU SER GLU LEU GLU ALA VAL LYS HOH HOH HOH HOH HOH SEQRES 10 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 261 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 261 HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3C4S.pdb ATOM 1 N MET A 1 -7.240 6.382 -24.502 1.00 37.89 N ATOM 2 CA MET A 1 -5.775 6.601 -24.660 1.00 38.33 C ATOM 3 C MET A 1 -4.990 5.862 -23.582 1.00 37.31 C ATOM 4 O MET A 1 -3.762 5.928 -23.534 1.00 40.05 O ATOM 5 CB MET A 1 -5.462 8.088 -24.612 1.00 41.58 C ATOM 6 N ILE A 2 -5.708 5.168 -22.706 1.00 33.62 N ATOM 7 CA ILE A 2 -5.074 4.390 -21.651 1.00 30.95 C ATOM 8 C ILE A 2 -4.827 3.015 -22.259 1.00 30.48 C ATOM 9 O ILE A 2 -5.765 2.331 -22.669 1.00 31.29 O ATOM 10 CB ILE A 2 -5.995 4.272 -20.416 1.00 30.01 C ATOM 11 CG1 ILE A 2 -6.092 5.632 -19.719 1.00 28.29 C ATOM 12 CG2 ILE A 2 -5.464 3.212 -19.460 1.00 28.72 C ATOM 13 CD1 ILE A 2 -7.037 5.658 -18.538 1.00 28.12 C ATOM 14 N PHE A 3 -3.560 2.622 -22.323 1.00 28.68 N ATOM 15 CA PHE A 3 -3.174 1.349 -22.918 1.00 28.22 C ATOM 16 C PHE A 3 -2.274 0.542 -21.993 1.00 25.91 C ATOM 17 O PHE A 3 -1.709 1.077 -21.041 1.00 25.02 O ATOM 18 CB PHE A 3 -2.418 1.611 -24.219 1.00 29.63 C ATOM 19 CG PHE A 3 -1.229 2.517 -24.045 1.00 34.52 C ATOM 20 CD1 PHE A 3 -1.401 3.887 -23.868 1.00 34.17 C ATOM 21 CD2 PHE A 3 0.061 1.994 -24.004 1.00 35.27 C ATOM 22 CE1 PHE A 3 -0.309 4.724 -23.648 1.00 36.64 C ATOM 23 CE2 PHE A 3 1.162 2.822 -23.784 1.00 37.08 C ATOM 24 CZ PHE A 3 0.975 4.191 -23.605 1.00 36.16 C ATOM 25 N PRO A 4 -2.130 -0.765 -22.262 1.00 25.09 N ATOM 26 CA PRO A 4 -1.268 -1.591 -21.414 1.00 24.20 C ATOM 27 C PRO A 4 0.139 -0.994 -21.392 1.00 24.20 C ATOM 28 O PRO A 4 0.722 -0.727 -22.443 1.00 24.78 O ATOM 29 CB PRO A 4 -1.314 -2.951 -22.104 1.00 25.28 C ATOM 30 CG PRO A 4 -2.707 -2.983 -22.668 1.00 26.18 C ATOM 31 CD PRO A 4 -2.855 -1.592 -23.245 1.00 24.86 C ATOM 32 N GLY A 5 0.674 -0.778 -20.195 1.00 22.44 N ATOM 33 CA GLY A 5 2.001 -0.202 -20.074 1.00 22.25 C ATOM 34 C GLY A 5 1.948 1.259 -19.663 1.00 20.26 C ATOM 35 O GLY A 5 2.948 1.832 -19.234 1.00 20.05 O ATOM 36 N ALA A 6 0.779 1.871 -19.801 1.00 19.35 N ATOM 37 CA ALA A 6 0.622 3.267 -19.426 1.00 17.81 C ATOM 38 C ALA A 6 0.552 3.387 -17.909 1.00 17.24 C ATOM 39 O ALA A 6 0.217 2.425 -17.215 1.00 15.16 O ATOM 40 CB ALA A 6 -0.648 3.839 -20.054 1.00 20.69 C ATOM 41 N THR A 7 0.889 4.566 -17.400 1.00 16.55 N ATOM 42 CA THR A 7 0.827 4.822 -15.969 1.00 15.99 C ATOM 43 C THR A 7 -0.447 5.627 -15.753 1.00 14.82 C ATOM 44 O THR A 7 -0.735 6.554 -16.508 1.00 14.54 O ATOM 45 CB THR A 7 2.035 5.647 -15.488 1.00 18.25 C ATOM 46 OG1 THR A 7 3.242 4.911 -15.726 1.00 19.40 O ATOM 47 CG2 THR A 7 1.918 5.942 -14.000 1.00 18.76 C ATOM 48 N VAL A 8 -1.222 5.263 -14.741 1.00 10.86 N ATOM 49 CA VAL A 8 -2.465 5.976 -14.475 1.00 11.38 C ATOM 50 C VAL A 8 -2.590 6.297 -12.999 1.00 11.29 C ATOM 51 O VAL A 8 -1.930 5.680 -12.163 1.00 10.61 O ATOM 52 CB VAL A 8 -3.705 5.139 -14.885 1.00 11.80 C ATOM 53 CG1 VAL A 8 -3.750 4.970 -16.399 1.00 12.95 C ATOM 54 CG2 VAL A 8 -3.664 3.776 -14.203 1.00 11.24 C ATOM 55 N ARG A 9 -3.428 7.280 -12.690 1.00 11.46 N ATOM 56 CA ARG A 9 -3.685 7.666 -11.309 1.00 10.52 C ATOM 57 C ARG A 9 -5.172 7.432 -11.080 1.00 10.39 C ATOM 58 O ARG A 9 -5.992 7.727 -11.949 1.00 9.18 O ATOM 59 CB ARG A 9 -3.358 9.147 -11.078 1.00 11.37 C ATOM 60 CG ARG A 9 -3.604 9.605 -9.638 1.00 12.00 C ATOM 61 CD ARG A 9 -3.391 11.108 -9.474 1.00 17.75 C ATOM 62 NE ARG A 9 -2.002 11.502 -9.698 1.00 23.82 N ATOM 63 CZ ARG A 9 -1.572 12.178 -10.758 1.00 31.62 C ATOM 64 NH1 ARG A 9 -0.287 12.488 -10.869 1.00 32.66 N ATOM 65 NH2 ARG A 9 -2.422 12.552 -11.705 1.00 31.17 N ATOM 66 N VAL A 10 -5.518 6.883 -9.920 1.00 9.73 N ATOM 67 CA VAL A 10 -6.919 6.624 -9.589 1.00 8.75 C ATOM 68 C VAL A 10 -7.545 7.924 -9.099 1.00 11.09 C ATOM 69 O VAL A 10 -7.023 8.566 -8.194 1.00 9.49 O ATOM 70 CB VAL A 10 -7.029 5.557 -8.491 1.00 9.71 C ATOM 71 CG1 VAL A 10 -8.487 5.319 -8.140 1.00 8.42 C ATOM 72 CG2 VAL A 10 -6.367 4.270 -8.965 1.00 10.51 C ATOM 73 N THR A 11 -8.674 8.297 -9.690 1.00 9.18 N ATOM 74 CA THR A 11 -9.333 9.552 -9.344 1.00 11.03 C ATOM 75 C THR A 11 -10.635 9.448 -8.550 1.00 12.20 C ATOM 76 O THR A 11 -11.259 10.469 -8.267 1.00 14.00 O ATOM 77 CB THR A 11 -9.636 10.338 -10.611 1.00 11.37 C ATOM 78 OG1 THR A 11 -10.550 9.579 -11.410 1.00 9.60 O ATOM 79 CG2 THR A 11 -8.358 10.575 -11.412 1.00 12.23 C ATOM 80 N ASN A 12 -11.044 8.232 -8.201 1.00 11.99 N ATOM 81 CA ASN A 12 -12.282 8.016 -7.449 1.00 13.46 C ATOM 82 C ASN A 12 -12.016 8.134 -5.943 1.00 12.54 C ATOM 83 O ASN A 12 -11.347 7.276 -5.361 1.00 10.96 O ATOM 84 CB ASN A 12 -12.833 6.625 -7.772 1.00 15.60 C ATOM 85 CG ASN A 12 -14.206 6.382 -7.174 1.00 17.83 C ATOM 86 OD1 ASN A 12 -14.620 7.066 -6.239 1.00 19.27 O ATOM 87 ND2 ASN A 12 -14.915 5.395 -7.709 1.00 21.77 N ATOM 88 N VAL A 13 -12.544 9.185 -5.316 1.00 11.70 N ATOM 89 CA VAL A 13 -12.322 9.407 -3.886 1.00 11.79 C ATOM 90 C VAL A 13 -12.926 8.329 -2.991 1.00 11.97 C ATOM 91 O VAL A 13 -12.594 8.245 -1.808 1.00 11.20 O ATOM 92 CB VAL A 13 -12.856 10.793 -3.440 1.00 13.27 C ATOM 93 CG1 VAL A 13 -14.378 10.798 -3.425 1.00 13.29 C ATOM 94 CG2 VAL A 13 -12.286 11.152 -2.085 1.00 15.88 C ATOM 95 N ASP A 14 -13.804 7.501 -3.549 1.00 12.00 N ATOM 96 CA ASP A 14 -14.426 6.428 -2.775 1.00 12.77 C ATOM 97 C ASP A 14 -13.676 5.106 -2.914 1.00 12.51 C ATOM 98 O ASP A 14 -14.121 4.066 -2.407 1.00 12.55 O ATOM 99 CB ASP A 14 -15.884 6.235 -3.197 1.00 14.67 C ATOM 100 CG ASP A 14 -16.775 7.370 -2.741 1.00 19.15 C ATOM 101 OD1 ASP A 14 -16.423 8.031 -1.745 1.00 18.12 O ATOM 102 OD2 ASP A 14 -17.834 7.591 -3.364 1.00 24.80 O ATOM 103 N ASP A 15 -12.531 5.155 -3.590 1.00 11.02 N ATOM 104 CA ASP A 15 -11.705 3.969 -3.806 1.00 13.19 C ATOM 105 C ASP A 15 -10.534 3.874 -2.833 1.00 12.17 C ATOM 106 O ASP A 15 -9.932 4.880 -2.460 1.00 11.36 O ATOM 107 CB ASP A 15 -11.140 3.951 -5.231 1.00 15.88 C ATOM 108 CG ASP A 15 -12.193 3.674 -6.281 1.00 24.07 C ATOM 109 OD1 ASP A 15 -13.323 3.289 -5.916 1.00 25.13 O ATOM 110 OD2 ASP A 15 -11.881 3.829 -7.482 1.00 27.60 O ATOM 111 N THR A 16 -10.205 2.648 -2.448 1.00 12.23 N ATOM 112 CA THR A 16 -9.097 2.405 -1.533 1.00 12.89 C ATOM 113 C THR A 16 -7.808 3.008 -2.070 1.00 12.98 C ATOM 114 O THR A 16 -7.012 3.579 -1.321 1.00 12.06 O ATOM 115 CB THR A 16 -8.847 0.904 -1.360 1.00 13.82 C ATOM 116 OG1 THR A 16 -10.046 0.272 -0.904 1.00 15.26 O ATOM 117 CG2 THR A 16 -7.718 0.662 -0.362 1.00 14.02 C ATOM 118 N TYR A 17 -7.610 2.878 -3.378 1.00 11.77 N ATOM 119 CA TYR A 17 -6.393 3.358 -4.007 1.00 12.57 C ATOM 120 C TYR A 17 -6.450 4.734 -4.653 1.00 10.34 C ATOM 121 O TYR A 17 -5.699 5.031 -5.580 1.00 10.72 O ATOM 122 CB TYR A 17 -5.907 2.288 -4.986 1.00 13.94 C ATOM 123 CG TYR A 17 -5.596 1.015 -4.233 1.00 15.40 C ATOM 124 CD1 TYR A 17 -4.487 0.944 -3.389 1.00 17.44 C ATOM 125 CD2 TYR A 17 -6.471 -0.070 -4.261 1.00 16.79 C ATOM 126 CE1 TYR A 17 -4.263 -0.168 -2.582 1.00 18.84 C ATOM 127 CE2 TYR A 17 -6.256 -1.190 -3.453 1.00 18.48 C ATOM 128 CZ TYR A 17 -5.151 -1.227 -2.617 1.00 19.21 C ATOM 129 OH TYR A 17 -4.942 -2.307 -1.787 1.00 22.05 O ATOM 130 N TYR A 18 -7.332 5.578 -4.127 1.00 11.37 N ATOM 131 CA TYR A 18 -7.479 6.948 -4.601 1.00 11.36 C ATOM 132 C TYR A 18 -6.102 7.627 -4.602 1.00 11.77 C ATOM 133 O TYR A 18 -5.370 7.574 -3.611 1.00 9.85 O ATOM 134 CB TYR A 18 -8.445 7.690 -3.665 1.00 12.15 C ATOM 135 CG TYR A 18 -8.618 9.168 -3.936 1.00 12.99 C ATOM 136 CD1 TYR A 18 -9.103 9.624 -5.161 1.00 13.95 C ATOM 137 CD2 TYR A 18 -8.342 10.109 -2.945 1.00 15.66 C ATOM 138 CE1 TYR A 18 -9.317 10.979 -5.390 1.00 12.75 C ATOM 139 CE2 TYR A 18 -8.550 11.467 -3.163 1.00 13.87 C ATOM 140 CZ TYR A 18 -9.041 11.894 -4.387 1.00 14.87 C ATOM 141 OH TYR A 18 -9.268 13.233 -4.593 1.00 15.36 O ATOM 142 N ARG A 19 -5.766 8.249 -5.732 1.00 11.20 N ATOM 143 CA ARG A 19 -4.507 8.962 -5.945 1.00 12.28 C ATOM 144 C ARG A 19 -3.245 8.110 -6.049 1.00 10.88 C ATOM 145 O ARG A 19 -2.139 8.645 -6.174 1.00 12.75 O ATOM 146 CB ARG A 19 -4.329 10.060 -4.895 1.00 13.12 C ATOM 147 CG ARG A 19 -5.373 11.159 -5.037 1.00 18.91 C ATOM 148 CD ARG A 19 -5.207 12.222 -3.974 1.00 24.37 C ATOM 149 NE ARG A 19 -3.960 12.956 -4.143 1.00 30.44 N ATOM 150 CZ ARG A 19 -3.547 13.914 -3.322 1.00 34.93 C ATOM 151 NH1 ARG A 19 -4.286 14.252 -2.274 1.00 37.35 N ATOM 152 NH2 ARG A 19 -2.401 14.538 -3.552 1.00 36.77 N ATOM 153 N PHE A 20 -3.404 6.790 -5.986 1.00 9.26 N ATOM 154 CA PHE A 20 -2.276 5.875 -6.157 1.00 10.32 C ATOM 155 C PHE A 20 -1.984 5.883 -7.660 1.00 11.51 C ATOM 156 O PHE A 20 -2.880 6.143 -8.467 1.00 11.25 O ATOM 157 CB PHE A 20 -2.662 4.439 -5.769 1.00 11.18 C ATOM 158 CG PHE A 20 -2.379 4.077 -4.332 1.00 14.24 C ATOM 159 CD1 PHE A 20 -1.420 3.115 -4.022 1.00 14.57 C ATOM 160 CD2 PHE A 20 -3.099 4.660 -3.296 1.00 16.62 C ATOM 161 CE1 PHE A 20 -1.184 2.734 -2.701 1.00 15.83 C ATOM 162 CE2 PHE A 20 -2.872 4.287 -1.968 1.00 17.10 C ATOM 163 CZ PHE A 20 -1.914 3.323 -1.670 1.00 17.26 C ATOM 164 N GLU A 21 -0.741 5.601 -8.036 1.00 10.16 N ATOM 165 CA GLU A 21 -0.379 5.526 -9.447 1.00 11.76 C ATOM 166 C GLU A 21 0.116 4.113 -9.709 1.00 11.21 C ATOM 167 O GLU A 21 0.848 3.547 -8.894 1.00 12.05 O ATOM 168 CB GLU A 21 0.719 6.536 -9.798 1.00 13.58 C ATOM 169 CG GLU A 21 0.320 7.983 -9.562 1.00 19.92 C ATOM 170 CD GLU A 21 1.294 8.971 -10.176 1.00 25.93 C ATOM 171 OE1 GLU A 21 2.496 8.651 -10.269 1.00 29.79 O ATOM 172 OE2 GLU A 21 0.854 10.076 -10.555 1.00 30.16 O ATOM 173 N GLY A 22 -0.302 3.538 -10.832 1.00 10.42 N ATOM 174 CA GLY A 22 0.113 2.189 -11.171 1.00 12.34 C ATOM 175 C GLY A 22 0.230 1.987 -12.668 1.00 12.47 C ATOM 176 O GLY A 22 -0.071 2.890 -13.449 1.00 10.82 O ATOM 177 N LEU A 23 0.668 0.796 -13.063 1.00 12.82 N ATOM 178 CA LEU A 23 0.846 0.458 -14.471 1.00 13.62 C ATOM 179 C LEU A 23 -0.316 -0.363 -15.012 1.00 13.01 C ATOM 180 O LEU A 23 -0.695 -1.371 -14.424 1.00 13.38 O ATOM 181 CB LEU A 23 2.141 -0.333 -14.652 1.00 14.27 C ATOM 182 CG LEU A 23 3.440 0.456 -14.492 1.00 16.05 C ATOM 183 CD1 LEU A 23 4.623 -0.505 -14.459 1.00 18.30 C ATOM 184 CD2 LEU A 23 3.574 1.447 -15.639 1.00 18.73 C ATOM 185 N VAL A 24 -0.873 0.069 -16.140 1.00 12.92 N ATOM 186 CA VAL A 24 -1.986 -0.643 -16.755 1.00 13.18 C ATOM 187 C VAL A 24 -1.497 -1.984 -17.297 1.00 13.97 C ATOM 188 O VAL A 24 -0.548 -2.031 -18.079 1.00 15.92 O ATOM 189 CB VAL A 24 -2.593 0.177 -17.911 1.00 11.82 C ATOM 190 CG1 VAL A 24 -3.722 -0.610 -18.571 1.00 14.07 C ATOM 191 CG2 VAL A 24 -3.106 1.512 -17.380 1.00 14.47 C ATOM 192 N GLN A 25 -2.146 -3.067 -16.875 1.00 15.61 N ATOM 193 CA GLN A 25 -1.771 -4.410 -17.307 1.00 17.55 C ATOM 194 C GLN A 25 -2.569 -4.856 -18.522 1.00 20.58 C ATOM 195 O GLN A 25 -2.051 -5.544 -19.402 1.00 20.94 O ATOM 196 CB GLN A 25 -1.978 -5.399 -16.159 1.00 19.30 C ATOM 197 CG GLN A 25 -1.200 -5.038 -14.909 1.00 20.01 C ATOM 198 CD GLN A 25 0.299 -5.061 -15.131 1.00 21.98 C ATOM 199 OE1 GLN A 25 0.884 -6.119 -15.364 1.00 25.69 O ATOM 200 NE2 GLN A 25 0.929 -3.892 -15.070 1.00 19.75 N ATOM 201 N ARG A 26 -3.838 -4.471 -18.554 1.00 20.23 N ATOM 202 CA ARG A 26 -4.718 -4.820 -19.660 1.00 21.85 C ATOM 203 C ARG A 26 -5.961 -3.954 -19.640 1.00 20.81 C ATOM 204 O ARG A 26 -6.373 -3.454 -18.590 1.00 18.25 O ATOM 205 CB ARG A 26 -5.117 -6.295 -19.586 1.00 26.04 C ATOM 206 CG ARG A 26 -5.510 -6.760 -18.202 1.00 30.54 C ATOM 207 CD ARG A 26 -5.758 -8.259 -18.182 1.00 39.24 C ATOM 208 NE ARG A 26 -5.630 -8.801 -16.834 1.00 44.41 N ATOM 209 CZ ARG A 26 -4.478 -8.891 -16.175 1.00 46.88 C ATOM 210 NH1 ARG A 26 -3.351 -8.481 -16.741 1.00 50.54 N ATOM 211 NH2 ARG A 26 -4.452 -9.383 -14.946 1.00 52.06 N ATOM 212 N VAL A 27 -6.548 -3.771 -20.816 1.00 19.56 N ATOM 213 CA VAL A 27 -7.755 -2.973 -20.949 1.00 19.08 C ATOM 214 C VAL A 27 -8.765 -3.758 -21.779 1.00 18.25 C ATOM 215 O VAL A 27 -8.426 -4.303 -22.829 1.00 19.60 O ATOM 216 CB VAL A 27 -7.469 -1.634 -21.660 1.00 18.93 C ATOM 217 CG1 VAL A 27 -8.723 -0.766 -21.654 1.00 20.14 C ATOM 218 CG2 VAL A 27 -6.316 -0.909 -20.978 1.00 18.90 C ATOM 219 N SER A 28 -9.998 -3.829 -21.295 1.00 17.65 N ATOM 220 CA SER A 28 -11.055 -4.534 -22.007 1.00 19.21 C ATOM 221 C SER A 28 -12.421 -4.178 -21.446 1.00 18.16 C ATOM 222 O SER A 28 -12.575 -3.939 -20.248 1.00 16.14 O ATOM 223 CB SER A 28 -10.851 -6.050 -21.921 1.00 22.20 C ATOM 224 OG SER A 28 -11.042 -6.519 -20.598 1.00 29.79 O ATOM 225 N ASP A 29 -13.410 -4.127 -22.328 1.00 17.54 N ATOM 226 CA ASP A 29 -14.777 -3.825 -21.934 1.00 17.95 C ATOM 227 C ASP A 29 -14.926 -2.536 -21.139 1.00 16.55 C ATOM 228 O ASP A 29 -15.768 -2.452 -20.244 1.00 16.08 O ATOM 229 CB ASP A 29 -15.340 -4.989 -21.123 1.00 21.53 C ATOM 230 CG ASP A 29 -15.124 -6.321 -21.806 1.00 27.15 C ATOM 231 OD1 ASP A 29 -15.438 -6.418 -23.010 1.00 27.73 O ATOM 232 OD2 ASP A 29 -14.643 -7.267 -21.145 1.00 27.90 O ATOM 233 N GLY A 30 -14.110 -1.536 -21.459 1.00 14.89 N ATOM 234 CA GLY A 30 -14.201 -0.266 -20.761 1.00 13.88 C ATOM 235 C GLY A 30 -13.592 -0.277 -19.372 1.00 14.95 C ATOM 236 O GLY A 30 -13.828 0.635 -18.578 1.00 13.61 O ATOM 237 N LYS A 31 -12.810 -1.309 -19.078 1.00 13.97 N ATOM 238 CA LYS A 31 -12.168 -1.424 -17.775 1.00 14.55 C ATOM 239 C LYS A 31 -10.684 -1.705 -17.944 1.00 14.29 C ATOM 240 O LYS A 31 -10.244 -2.168 -18.994 1.00 16.38 O ATOM 241 CB LYS A 31 -12.813 -2.554 -16.969 1.00 15.59 C ATOM 242 CG LYS A 31 -14.296 -2.360 -16.701 1.00 19.87 C ATOM 243 CD LYS A 31 -14.867 -3.526 -15.906 1.00 26.27 C ATOM 244 CE LYS A 31 -14.748 -4.828 -16.682 1.00 34.65 C ATOM 245 NZ LYS A 31 -15.272 -5.994 -15.917 1.00 42.33 N ATOM 246 N ALA A 32 -9.907 -1.417 -16.907 1.00 13.66 N ATOM 247 CA ALA A 32 -8.476 -1.659 -16.963 1.00 12.58 C ATOM 248 C ALA A 32 -7.989 -2.248 -15.655 1.00 12.94 C ATOM 249 O ALA A 32 -8.441 -1.855 -14.579 1.00 12.01 O ATOM 250 CB ALA A 32 -7.725 -0.362 -17.258 1.00 12.28 C ATOM 251 N ALA A 33 -7.082 -3.211 -15.762 1.00 12.29 N ATOM 252 CA ALA A 33 -6.487 -3.847 -14.596 1.00 12.21 C ATOM 253 C ALA A 33 -5.207 -3.061 -14.360 1.00 12.67 C ATOM 254 O ALA A 33 -4.394 -2.907 -15.270 1.00 13.87 O ATOM 255 CB ALA A 33 -6.170 -5.309 -14.894 1.00 12.55 C ATOM 256 N VAL A 34 -5.036 -2.561 -13.143 1.00 11.59 N ATOM 257 CA VAL A 34 -3.871 -1.756 -12.802 1.00 12.68 C ATOM 258 C VAL A 34 -3.060 -2.392 -11.684 1.00 12.17 C ATOM 259 O VAL A 34 -3.613 -2.851 -10.681 1.00 12.38 O ATOM 260 CB VAL A 34 -4.310 -0.344 -12.357 1.00 12.40 C ATOM 261 CG1 VAL A 34 -3.093 0.515 -12.053 1.00 15.57 C ATOM 262 CG2 VAL A 34 -5.169 0.296 -13.446 1.00 13.16 C ATOM 263 N LEU A 35 -1.743 -2.412 -11.859 1.00 11.62 N ATOM 264 CA LEU A 35 -0.856 -2.989 -10.855 1.00 11.63 C ATOM 265 C LEU A 35 -0.152 -1.891 -10.064 1.00 10.07 C ATOM 266 O LEU A 35 0.554 -1.054 -10.633 1.00 10.61 O ATOM 267 CB LEU A 35 0.191 -3.889 -11.522 1.00 12.57 C ATOM 268 CG LEU A 35 1.230 -4.512 -10.580 1.00 14.44 C ATOM 269 CD1 LEU A 35 0.548 -5.498 -9.645 1.00 16.24 C ATOM 270 CD2 LEU A 35 2.308 -5.215 -11.402 1.00 16.33 C ATOM 271 N PHE A 36 -0.366 -1.892 -8.753 1.00 11.04 N ATOM 272 CA PHE A 36 0.259 -0.917 -7.866 1.00 11.73 C ATOM 273 C PHE A 36 1.417 -1.638 -7.204 1.00 13.40 C ATOM 274 O PHE A 36 1.301 -2.817 -6.863 1.00 12.62 O ATOM 275 CB PHE A 36 -0.735 -0.447 -6.807 1.00 11.62 C ATOM 276 CG PHE A 36 -1.944 0.222 -7.380 1.00 11.96 C ATOM 277 CD1 PHE A 36 -1.844 1.484 -7.956 1.00 11.54 C ATOM 278 CD2 PHE A 36 -3.172 -0.426 -7.389 1.00 13.25 C ATOM 279 CE1 PHE A 36 -2.954 2.091 -8.541 1.00 13.48 C ATOM 280 CE2 PHE A 36 -4.291 0.172 -7.972 1.00 13.97 C ATOM 281 CZ PHE A 36 -4.180 1.432 -8.550 1.00 14.05 C ATOM 282 N GLU A 37 2.528 -0.931 -7.029 1.00 14.98 N ATOM 283 CA GLU A 37 3.719 -1.524 -6.433 1.00 18.20 C ATOM 284 C GLU A 37 4.420 -0.589 -5.456 1.00 17.93 C ATOM 285 O GLU A 37 4.387 0.633 -5.606 1.00 18.72 O ATOM 286 CB GLU A 37 4.703 -1.907 -7.540 1.00 22.52 C ATOM 287 CG GLU A 37 4.182 -2.955 -8.496 1.00 30.76 C ATOM 288 CD GLU A 37 4.963 -4.244 -8.400 1.00 39.55 C ATOM 289 OE1 GLU A 37 5.071 -4.785 -7.279 1.00 44.64 O ATOM 290 OE2 GLU A 37 5.471 -4.714 -9.441 1.00 43.11 O ATOM 291 N ASN A 38 5.058 -1.180 -4.453 1.00 16.90 N ATOM 292 CA ASN A 38 5.813 -0.435 -3.457 1.00 17.17 C ATOM 293 C ASN A 38 6.639 -1.472 -2.710 1.00 15.73 C ATOM 294 O ASN A 38 6.138 -2.133 -1.808 1.00 14.60 O ATOM 295 CB ASN A 38 4.876 0.299 -2.491 1.00 18.64 C ATOM 296 CG ASN A 38 5.629 1.150 -1.477 1.00 23.07 C ATOM 297 OD1 ASN A 38 5.024 1.878 -0.689 1.00 28.89 O ATOM 298 ND2 ASN A 38 6.956 1.053 -1.486 1.00 21.03 N ATOM 299 N GLY A 39 7.899 -1.626 -3.108 1.00 15.88 N ATOM 300 CA GLY A 39 8.750 -2.608 -2.462 1.00 15.22 C ATOM 301 C GLY A 39 8.240 -4.018 -2.700 1.00 15.43 C ATOM 302 O GLY A 39 8.057 -4.437 -3.849 1.00 15.29 O ATOM 303 N ASN A 40 8.008 -4.755 -1.617 1.00 12.66 N ATOM 304 CA ASN A 40 7.509 -6.123 -1.716 1.00 12.63 C ATOM 305 C ASN A 40 5.990 -6.164 -1.757 1.00 13.21 C ATOM 306 O ASN A 40 5.398 -7.232 -1.866 1.00 14.34 O ATOM 307 CB ASN A 40 7.984 -6.973 -0.533 1.00 12.75 C ATOM 308 CG ASN A 40 9.479 -7.193 -0.535 1.00 15.40 C ATOM 309 OD1 ASN A 40 10.138 -7.064 -1.568 1.00 14.15 O ATOM 310 ND2 ASN A 40 10.025 -7.549 0.625 1.00 12.42 N ATOM 311 N TRP A 41 5.362 -4.998 -1.666 1.00 11.63 N ATOM 312 CA TRP A 41 3.909 -4.922 -1.692 1.00 12.00 C ATOM 313 C TRP A 41 3.401 -4.625 -3.096 1.00 12.47 C ATOM 314 O TRP A 41 4.011 -3.865 -3.844 1.00 12.34 O ATOM 315 CB TRP A 41 3.424 -3.822 -0.740 1.00 12.14 C ATOM 316 CG TRP A 41 1.933 -3.588 -0.766 1.00 12.98 C ATOM 317 CD1 TRP A 41 0.987 -4.203 0.006 1.00 14.42 C ATOM 318 CD2 TRP A 41 1.226 -2.681 -1.621 1.00 13.42 C ATOM 319 NE1 TRP A 41 -0.269 -3.733 -0.317 1.00 14.05 N ATOM 320 CE2 TRP A 41 -0.149 -2.801 -1.314 1.00 13.98 C ATOM 321 CE3 TRP A 41 1.621 -1.782 -2.620 1.00 14.09 C ATOM 322 CZ2 TRP A 41 -1.131 -2.049 -1.971 1.00 12.52 C ATOM 323 CZ3 TRP A 41 0.643 -1.035 -3.274 1.00 14.54 C ATOM 324 CH2 TRP A 41 -0.718 -1.176 -2.945 1.00 13.10 C ATOM 325 N ASP A 42 2.286 -5.247 -3.454 1.00 12.96 N ATOM 326 CA ASP A 42 1.672 -4.998 -4.747 1.00 15.04 C ATOM 327 C ASP A 42 0.215 -5.397 -4.680 1.00 13.73 C ATOM 328 O ASP A 42 -0.185 -6.199 -3.836 1.00 13.40 O ATOM 329 CB ASP A 42 2.367 -5.779 -5.860 1.00 18.33 C ATOM 330 CG ASP A 42 2.291 -7.269 -5.656 1.00 22.66 C ATOM 331 OD1 ASP A 42 3.118 -7.809 -4.893 1.00 28.45 O ATOM 332 OD2 ASP A 42 1.396 -7.900 -6.251 1.00 29.92 O ATOM 333 N LYS A 43 -0.578 -4.823 -5.573 1.00 14.39 N ATOM 334 CA LYS A 43 -1.997 -5.116 -5.626 1.00 15.04 C ATOM 335 C LYS A 43 -2.484 -4.900 -7.051 1.00 14.99 C ATOM 336 O LYS A 43 -2.127 -3.911 -7.699 1.00 13.64 O ATOM 337 CB LYS A 43 -2.758 -4.202 -4.660 1.00 19.10 C ATOM 338 CG LYS A 43 -3.451 -4.928 -3.513 1.00 31.00 C ATOM 339 CD LYS A 43 -4.634 -5.744 -4.011 1.00 33.16 C ATOM 340 CE LYS A 43 -5.415 -6.356 -2.860 1.00 39.06 C ATOM 341 NZ LYS A 43 -6.661 -7.025 -3.331 1.00 39.03 N ATOM 342 N LEU A 44 -3.265 -5.854 -7.546 1.00 14.26 N ATOM 343 CA LEU A 44 -3.830 -5.765 -8.889 1.00 15.74 C ATOM 344 C LEU A 44 -5.307 -5.455 -8.707 1.00 15.10 C ATOM 345 O LEU A 44 -6.034 -6.200 -8.048 1.00 15.50 O ATOM 346 CB LEU A 44 -3.669 -7.089 -9.640 1.00 16.81 C ATOM 347 CG LEU A 44 -4.224 -7.099 -11.068 1.00 17.09 C ATOM 348 CD1 LEU A 44 -3.412 -6.153 -11.936 1.00 15.52 C ATOM 349 CD2 LEU A 44 -4.176 -8.512 -11.628 1.00 22.11 C ATOM 350 N VAL A 45 -5.746 -4.344 -9.282 1.00 13.43 N ATOM 351 CA VAL A 45 -7.135 -3.933 -9.157 1.00 14.23 C ATOM 352 C VAL A 45 -7.698 -3.529 -10.510 1.00 13.30 C ATOM 353 O VAL A 45 -6.999 -2.927 -11.328 1.00 12.93 O ATOM 354 CB VAL A 45 -7.267 -2.735 -8.186 1.00 13.55 C ATOM 355 CG1 VAL A 45 -8.735 -2.397 -7.958 1.00 16.63 C ATOM 356 CG2 VAL A 45 -6.586 -3.062 -6.867 1.00 18.98 C ATOM 357 N THR A 46 -8.961 -3.878 -10.744 1.00 13.84 N ATOM 358 CA THR A 46 -9.634 -3.530 -11.989 1.00 13.16 C ATOM 359 C THR A 46 -10.531 -2.325 -11.737 1.00 13.67 C ATOM 360 O THR A 46 -11.297 -2.301 -10.773 1.00 14.75 O ATOM 361 CB THR A 46 -10.505 -4.688 -12.507 1.00 15.67 C ATOM 362 OG1 THR A 46 -9.666 -5.791 -12.866 1.00 17.71 O ATOM 363 CG2 THR A 46 -11.309 -4.242 -13.731 1.00 16.84 C ATOM 364 N PHE A 47 -10.432 -1.335 -12.618 1.00 12.06 N ATOM 365 CA PHE A 47 -11.207 -0.100 -12.512 1.00 11.82 C ATOM 366 C PHE A 47 -11.929 0.196 -13.814 1.00 11.51 C ATOM 367 O PHE A 47 -11.520 -0.265 -14.876 1.00 12.96 O ATOM 368 CB PHE A 47 -10.281 1.091 -12.277 1.00 10.82 C ATOM 369 CG PHE A 47 -9.477 1.010 -11.024 1.00 11.85 C ATOM 370 CD1 PHE A 47 -9.985 1.502 -9.830 1.00 14.02 C ATOM 371 CD2 PHE A 47 -8.197 0.469 -11.044 1.00 10.85 C ATOM 372 CE1 PHE A 47 -9.228 1.462 -8.668 1.00 14.12 C ATOM 373 CE2 PHE A 47 -7.430 0.423 -9.886 1.00 13.00 C ATOM 374 CZ PHE A 47 -7.948 0.921 -8.695 1.00 13.87 C ATOM 375 N ARG A 48 -12.998 0.981 -13.728 1.00 12.16 N ATOM 376 CA ARG A 48 -13.687 1.406 -14.935 1.00 11.54 C ATOM 377 C ARG A 48 -12.737 2.501 -15.421 1.00 11.07 C ATOM 378 O ARG A 48 -12.072 3.144 -14.610 1.00 10.49 O ATOM 379 CB ARG A 48 -15.054 2.014 -14.609 1.00 14.47 C ATOM 380 CG ARG A 48 -16.024 1.069 -13.933 1.00 23.08 C ATOM 381 CD ARG A 48 -17.428 1.651 -13.941 1.00 29.88 C ATOM 382 NE ARG A 48 -18.284 1.033 -12.934 1.00 43.52 N ATOM 383 CZ ARG A 48 -18.198 1.282 -11.631 1.00 48.21 C ATOM 384 NH1 ARG A 48 -17.294 2.140 -11.176 1.00 47.96 N ATOM 385 NH2 ARG A 48 -19.016 0.674 -10.782 1.00 54.03 N ATOM 386 N LEU A 49 -12.655 2.717 -16.726 1.00 9.76 N ATOM 387 CA LEU A 49 -11.756 3.739 -17.243 1.00 10.94 C ATOM 388 C LEU A 49 -12.016 5.122 -16.636 1.00 10.82 C ATOM 389 O LEU A 49 -11.083 5.905 -16.448 1.00 10.69 O ATOM 390 CB LEU A 49 -11.845 3.790 -18.772 1.00 11.43 C ATOM 391 CG LEU A 49 -11.152 2.618 -19.481 1.00 14.81 C ATOM 392 CD1 LEU A 49 -11.395 2.688 -20.985 1.00 15.91 C ATOM 393 CD2 LEU A 49 -9.656 2.663 -19.189 1.00 14.59 C ATOM 394 N SER A 50 -13.274 5.402 -16.304 1.00 9.83 N ATOM 395 CA SER A 50 -13.651 6.691 -15.719 1.00 10.69 C ATOM 396 C SER A 50 -13.108 6.923 -14.303 1.00 11.85 C ATOM 397 O SER A 50 -13.304 7.994 -13.724 1.00 11.29 O ATOM 398 CB SER A 50 -15.178 6.842 -15.722 1.00 13.40 C ATOM 399 OG SER A 50 -15.799 5.814 -14.975 1.00 15.09 O ATOM 400 N GLU A 51 -12.434 5.921 -13.746 1.00 10.60 N ATOM 401 CA GLU A 51 -11.847 6.039 -12.410 1.00 11.35 C ATOM 402 C GLU A 51 -10.342 6.249 -12.537 1.00 11.07 C ATOM 403 O GLU A 51 -9.631 6.330 -11.536 1.00 9.01 O ATOM 404 CB GLU A 51 -12.078 4.759 -11.601 1.00 11.14 C ATOM 405 CG GLU A 51 -13.513 4.470 -11.224 1.00 13.15 C ATOM 406 CD GLU A 51 -13.629 3.171 -10.450 1.00 16.75 C ATOM 407 OE1 GLU A 51 -13.625 2.098 -11.084 1.00 17.87 O ATOM 408 OE2 GLU A 51 -13.704 3.224 -9.205 1.00 19.67 O ATOM 409 N LEU A 52 -9.861 6.340 -13.773 1.00 10.00 N ATOM 410 CA LEU A 52 -8.428 6.492 -14.025 1.00 9.54 C ATOM 411 C LEU A 52 -8.087 7.631 -14.975 1.00 10.18 C ATOM 412 O LEU A 52 -8.837 7.924 -15.897 1.00 11.51 O ATOM 413 CB LEU A 52 -7.877 5.205 -14.638 1.00 9.70 C ATOM 414 CG LEU A 52 -8.147 3.880 -13.929 1.00 8.07 C ATOM 415 CD1 LEU A 52 -7.801 2.719 -14.866 1.00 8.28 C ATOM 416 CD2 LEU A 52 -7.324 3.812 -12.656 1.00 8.05 C ATOM 417 N GLU A 53 -6.944 8.266 -14.747 1.00 12.30 N ATOM 418 CA GLU A 53 -6.485 9.334 -15.627 1.00 12.80 C ATOM 419 C GLU A 53 -5.028 9.047 -15.954 1.00 13.26 C ATOM 420 O GLU A 53 -4.263 8.606 -15.095 1.00 13.22 O ATOM 421 CB GLU A 53 -6.616 10.710 -14.962 1.00 13.74 C ATOM 422 CG GLU A 53 -5.735 10.899 -13.740 1.00 14.61 C ATOM 423 CD GLU A 53 -5.878 12.273 -13.113 1.00 15.44 C ATOM 424 OE1 GLU A 53 -6.723 13.069 -13.576 1.00 13.10 O ATOM 425 OE2 GLU A 53 -5.137 12.557 -12.150 1.00 15.76 O ATOM 426 N ALA A 54 -4.649 9.287 -17.203 1.00 14.72 N ATOM 427 CA ALA A 54 -3.281 9.045 -17.638 1.00 16.85 C ATOM 428 C ALA A 54 -2.324 10.070 -17.049 1.00 19.06 C ATOM 429 O ALA A 54 -2.665 11.247 -16.913 1.00 18.88 O ATOM 430 CB ALA A 54 -3.208 9.079 -19.163 1.00 17.66 C ATOM 431 N VAL A 55 -1.126 9.612 -16.700 1.00 20.79 N ATOM 432 CA VAL A 55 -0.096 10.475 -16.136 1.00 24.97 C ATOM 433 C VAL A 55 1.272 10.035 -16.654 1.00 27.15 C ATOM 434 O VAL A 55 1.410 8.951 -17.222 1.00 27.00 O ATOM 435 CB VAL A 55 -0.094 10.417 -14.590 1.00 25.85 C ATOM 436 CG1 VAL A 55 -1.414 10.948 -14.051 1.00 25.23 C ATOM 437 CG2 VAL A 55 0.137 8.997 -14.117 1.00 26.92 C ATOM 438 N LYS A 56 2.278 10.880 -16.464 1.00 31.79 N ATOM 439 CA LYS A 56 3.628 10.552 -16.908 1.00 35.95 C ATOM 440 C LYS A 56 4.205 9.451 -16.019 1.00 37.66 C ATOM 441 O LYS A 56 3.934 9.407 -14.820 1.00 38.96 O ATOM 442 CB LYS A 56 4.512 11.799 -16.865 1.00 37.52 C ATOM 443 CG LYS A 56 4.051 12.892 -17.819 1.00 40.25 C ATOM 444 CD LYS A 56 4.971 14.097 -17.788 1.00 45.59 C ATOM 445 CE LYS A 56 4.488 15.174 -18.747 1.00 46.23 C ATOM 446 NZ LYS A 56 5.391 16.358 -18.744 1.00 51.70 N ATOM 447 N PRO A 57 4.998 8.538 -16.603 1.00 38.95 N ATOM 448 CA PRO A 57 5.614 7.428 -15.865 1.00 39.85 C ATOM 449 C PRO A 57 6.255 7.836 -14.534 1.00 40.79 C ATOM 450 O PRO A 57 6.510 9.046 -14.340 1.00 41.49 O ATOM 451 CB PRO A 57 6.642 6.892 -16.856 1.00 39.97 C ATOM 452 CG PRO A 57 5.988 7.130 -18.176 1.00 39.41 C ATOM 453 CD PRO A 57 5.402 8.517 -18.021 1.00 39.55 C TER 455 PRO A 57 ATOM 455 N ILE B 2 10.154 0.372 21.515 1.00 26.62 N ATOM 456 CA ILE B 2 8.853 0.315 20.790 1.00 25.66 C ATOM 457 C ILE B 2 7.683 0.311 21.770 1.00 24.84 C ATOM 458 O ILE B 2 7.583 -0.553 22.638 1.00 26.29 O ATOM 459 CB ILE B 2 8.793 -0.934 19.884 1.00 27.03 C ATOM 460 CG1 ILE B 2 9.862 -0.818 18.793 1.00 27.70 C ATOM 461 CG2 ILE B 2 7.410 -1.071 19.257 1.00 24.95 C ATOM 462 CD1 ILE B 2 9.940 -2.005 17.862 1.00 30.10 C ATOM 463 N PHE B 3 6.799 1.292 21.613 1.00 23.25 N ATOM 464 CA PHE B 3 5.632 1.465 22.475 1.00 21.00 C ATOM 465 C PHE B 3 4.498 2.037 21.624 1.00 18.66 C ATOM 466 O PHE B 3 4.739 2.518 20.520 1.00 16.02 O ATOM 467 CB PHE B 3 5.966 2.473 23.570 1.00 24.02 C ATOM 468 CG PHE B 3 6.489 3.779 23.033 1.00 27.16 C ATOM 469 CD1 PHE B 3 7.792 3.876 22.551 1.00 26.91 C ATOM 470 CD2 PHE B 3 5.665 4.898 22.961 1.00 31.00 C ATOM 471 CE1 PHE B 3 8.267 5.065 22.004 1.00 29.91 C ATOM 472 CE2 PHE B 3 6.130 6.093 22.415 1.00 32.11 C ATOM 473 CZ PHE B 3 7.433 6.176 21.936 1.00 31.24 C ATOM 474 N PRO B 4 3.250 1.993 22.124 1.00 17.31 N ATOM 475 CA PRO B 4 2.142 2.544 21.334 1.00 17.52 C ATOM 476 C PRO B 4 2.391 4.025 21.057 1.00 17.49 C ATOM 477 O PRO B 4 2.634 4.804 21.982 1.00 18.42 O ATOM 478 CB PRO B 4 0.932 2.313 22.234 1.00 18.95 C ATOM 479 CG PRO B 4 1.291 1.038 22.939 1.00 19.84 C ATOM 480 CD PRO B 4 2.743 1.269 23.304 1.00 18.36 C ATOM 481 N GLY B 5 2.337 4.409 19.787 1.00 15.84 N ATOM 482 CA GLY B 5 2.578 5.791 19.421 1.00 16.87 C ATOM 483 C GLY B 5 3.906 5.954 18.712 1.00 15.97 C ATOM 484 O GLY B 5 4.152 6.961 18.049 1.00 17.06 O ATOM 485 N ALA B 6 4.776 4.961 18.852 1.00 16.04 N ATOM 486 CA ALA B 6 6.071 5.020 18.191 1.00 14.48 C ATOM 487 C ALA B 6 5.899 4.747 16.703 1.00 15.28 C ATOM 488 O ALA B 6 4.953 4.069 16.290 1.00 14.22 O ATOM 489 CB ALA B 6 7.019 3.992 18.801 1.00 17.08 C ATOM 490 N THR B 7 6.804 5.297 15.900 1.00 12.35 N ATOM 491 CA THR B 7 6.783 5.068 14.463 1.00 13.91 C ATOM 492 C THR B 7 7.848 4.007 14.226 1.00 13.18 C ATOM 493 O THR B 7 8.957 4.110 14.747 1.00 13.06 O ATOM 494 CB THR B 7 7.139 6.348 13.678 1.00 15.96 C ATOM 495 OG1 THR B 7 6.119 7.334 13.889 1.00 18.55 O ATOM 496 CG2 THR B 7 7.242 6.051 12.186 1.00 17.23 C ATOM 497 N VAL B 8 7.504 2.969 13.470 1.00 11.77 N ATOM 498 CA VAL B 8 8.457 1.898 13.204 1.00 12.54 C ATOM 499 C VAL B 8 8.572 1.591 11.725 1.00 13.34 C ATOM 500 O VAL B 8 7.654 1.852 10.948 1.00 13.17 O ATOM 501 CB VAL B 8 8.063 0.585 13.923 1.00 12.96 C ATOM 502 CG1 VAL B 8 8.137 0.767 15.429 1.00 13.90 C ATOM 503 CG2 VAL B 8 6.663 0.164 13.501 1.00 13.58 C ATOM 504 N ARG B 9 9.714 1.026 11.351 1.00 11.83 N ATOM 505 CA ARG B 9 9.990 0.637 9.974 1.00 12.86 C ATOM 506 C ARG B 9 10.159 -0.882 10.002 1.00 11.92 C ATOM 507 O ARG B 9 10.799 -1.417 10.904 1.00 11.45 O ATOM 508 CB ARG B 9 11.287 1.304 9.502 1.00 14.11 C ATOM 509 CG ARG B 9 11.679 1.024 8.057 1.00 19.06 C ATOM 510 CD ARG B 9 13.067 1.602 7.784 1.00 26.99 C ATOM 511 NE ARG B 9 13.465 1.538 6.380 1.00 33.14 N ATOM 512 CZ ARG B 9 13.039 2.376 5.439 1.00 38.97 C ATOM 513 NH1 ARG B 9 12.194 3.351 5.747 1.00 40.02 N ATOM 514 NH2 ARG B 9 13.467 2.246 4.190 1.00 42.51 N ATOM 515 N VAL B 10 9.570 -1.578 9.038 1.00 10.15 N ATOM 516 CA VAL B 10 9.677 -3.034 8.985 1.00 11.09 C ATOM 517 C VAL B 10 11.042 -3.414 8.421 1.00 11.16 C ATOM 518 O VAL B 10 11.405 -2.985 7.327 1.00 11.73 O ATOM 519 CB VAL B 10 8.565 -3.628 8.103 1.00 10.46 C ATOM 520 CG1 VAL B 10 8.709 -5.138 8.019 1.00 12.31 C ATOM 521 CG2 VAL B 10 7.201 -3.250 8.676 1.00 9.98 C ATOM 522 N THR B 11 11.787 -4.223 9.170 1.00 12.59 N ATOM 523 CA THR B 11 13.128 -4.624 8.762 1.00 14.15 C ATOM 524 C THR B 11 13.266 -6.056 8.246 1.00 13.31 C ATOM 525 O THR B 11 14.358 -6.465 7.839 1.00 13.00 O ATOM 526 CB THR B 11 14.116 -4.425 9.927 1.00 14.57 C ATOM 527 OG1 THR B 11 13.736 -5.263 11.024 1.00 17.79 O ATOM 528 CG2 THR B 11 14.104 -2.972 10.386 1.00 19.32 C ATOM 529 N ASN B 12 12.175 -6.817 8.262 1.00 12.68 N ATOM 530 CA ASN B 12 12.196 -8.199 7.781 1.00 12.29 C ATOM 531 C ASN B 12 12.180 -8.183 6.249 1.00 13.08 C ATOM 532 O ASN B 12 11.177 -7.823 5.635 1.00 11.28 O ATOM 533 CB ASN B 12 10.974 -8.956 8.309 1.00 15.18 C ATOM 534 CG ASN B 12 10.985 -10.423 7.924 1.00 17.77 C ATOM 535 OD1 ASN B 12 11.625 -10.815 6.951 1.00 17.69 O ATOM 536 ND2 ASN B 12 10.265 -11.240 8.683 1.00 22.55 N ATOM 537 N VAL B 13 13.294 -8.579 5.640 1.00 11.09 N ATOM 538 CA VAL B 13 13.425 -8.576 4.183 1.00 13.09 C ATOM 539 C VAL B 13 12.455 -9.473 3.416 1.00 12.56 C ATOM 540 O VAL B 13 12.260 -9.281 2.212 1.00 14.05 O ATOM 541 CB VAL B 13 14.865 -8.947 3.754 1.00 13.60 C ATOM 542 CG1 VAL B 13 15.850 -7.932 4.321 1.00 16.05 C ATOM 543 CG2 VAL B 13 15.209 -10.347 4.229 1.00 15.74 C ATOM 544 N ASP B 14 11.855 -10.448 4.095 1.00 12.49 N ATOM 545 CA ASP B 14 10.912 -11.360 3.443 1.00 14.49 C ATOM 546 C ASP B 14 9.464 -10.930 3.594 1.00 14.36 C ATOM 547 O ASP B 14 8.557 -11.598 3.094 1.00 13.86 O ATOM 548 CB ASP B 14 11.030 -12.775 4.011 1.00 16.94 C ATOM 549 CG ASP B 14 12.325 -13.453 3.637 1.00 20.16 C ATOM 550 OD1 ASP B 14 12.910 -13.087 2.601 1.00 22.17 O ATOM 551 OD2 ASP B 14 12.746 -14.368 4.378 1.00 26.05 O ATOM 552 N ASP B 15 9.241 -9.817 4.280 1.00 11.88 N ATOM 553 CA ASP B 15 7.884 -9.357 4.525 1.00 13.76 C ATOM 554 C ASP B 15 7.295 -8.480 3.431 1.00 11.44 C ATOM 555 O ASP B 15 7.994 -7.703 2.778 1.00 11.21 O ATOM 556 CB ASP B 15 7.830 -8.601 5.853 1.00 12.75 C ATOM 557 CG ASP B 15 6.426 -8.515 6.415 1.00 19.89 C ATOM 558 OD1 ASP B 15 6.030 -9.427 7.170 1.00 22.39 O ATOM 559 OD2 ASP B 15 5.714 -7.543 6.094 1.00 18.46 O ATOM 560 N THR B 16 5.986 -8.610 3.256 1.00 11.15 N ATOM 561 CA THR B 16 5.249 -7.829 2.274 1.00 11.93 C ATOM 562 C THR B 16 5.482 -6.341 2.523 1.00 11.73 C ATOM 563 O THR B 16 5.605 -5.552 1.586 1.00 11.49 O ATOM 564 CB THR B 16 3.738 -8.102 2.398 1.00 11.82 C ATOM 565 OG1 THR B 16 3.478 -9.478 2.099 1.00 13.20 O ATOM 566 CG2 THR B 16 2.944 -7.203 1.452 1.00 14.58 C ATOM 567 N TYR B 17 5.555 -5.967 3.796 1.00 11.71 N ATOM 568 CA TYR B 17 5.730 -4.568 4.164 1.00 10.19 C ATOM 569 C TYR B 17 7.154 -4.134 4.493 1.00 8.79 C ATOM 570 O TYR B 17 7.357 -3.146 5.189 1.00 9.80 O ATOM 571 CB TYR B 17 4.804 -4.241 5.335 1.00 11.84 C ATOM 572 CG TYR B 17 3.352 -4.513 5.013 1.00 13.26 C ATOM 573 CD1 TYR B 17 2.637 -3.668 4.167 1.00 16.69 C ATOM 574 CD2 TYR B 17 2.706 -5.635 5.526 1.00 15.25 C ATOM 575 CE1 TYR B 17 1.309 -3.934 3.836 1.00 18.48 C ATOM 576 CE2 TYR B 17 1.382 -5.911 5.204 1.00 18.85 C ATOM 577 CZ TYR B 17 0.692 -5.058 4.363 1.00 19.64 C ATOM 578 OH TYR B 17 -0.621 -5.329 4.056 1.00 25.51 O ATOM 579 N TYR B 18 8.139 -4.864 3.984 1.00 10.30 N ATOM 580 CA TYR B 18 9.534 -4.513 4.221 1.00 11.22 C ATOM 581 C TYR B 18 9.789 -3.054 3.823 1.00 12.14 C ATOM 582 O TYR B 18 9.440 -2.630 2.719 1.00 13.01 O ATOM 583 CB TYR B 18 10.434 -5.456 3.417 1.00 10.44 C ATOM 584 CG TYR B 18 11.904 -5.118 3.453 1.00 12.31 C ATOM 585 CD1 TYR B 18 12.577 -4.943 4.663 1.00 13.09 C ATOM 586 CD2 TYR B 18 12.630 -4.993 2.270 1.00 13.75 C ATOM 587 CE1 TYR B 18 13.941 -4.651 4.690 1.00 16.95 C ATOM 588 CE2 TYR B 18 13.986 -4.704 2.287 1.00 16.43 C ATOM 589 CZ TYR B 18 14.636 -4.535 3.494 1.00 17.22 C ATOM 590 OH TYR B 18 15.984 -4.251 3.493 1.00 17.81 O ATOM 591 N ARG B 19 10.391 -2.298 4.738 1.00 11.27 N ATOM 592 CA ARG B 19 10.716 -0.882 4.543 1.00 12.74 C ATOM 593 C ARG B 19 9.548 0.090 4.738 1.00 12.13 C ATOM 594 O ARG B 19 9.744 1.306 4.700 1.00 12.22 O ATOM 595 CB ARG B 19 11.354 -0.635 3.169 1.00 14.03 C ATOM 596 CG ARG B 19 12.718 -1.285 2.974 1.00 19.41 C ATOM 597 CD ARG B 19 13.452 -0.631 1.810 1.00 22.06 C ATOM 598 NE ARG B 19 14.718 -1.284 1.486 1.00 27.30 N ATOM 599 CZ ARG B 19 14.881 -2.148 0.488 1.00 29.23 C ATOM 600 NH1 ARG B 19 13.856 -2.468 -0.290 1.00 28.29 N ATOM 601 NH2 ARG B 19 16.072 -2.685 0.262 1.00 29.91 N ATOM 602 N PHE B 20 8.339 -0.433 4.930 1.00 11.90 N ATOM 603 CA PHE B 20 7.174 0.422 5.168 1.00 12.38 C ATOM 604 C PHE B 20 7.328 0.992 6.575 1.00 11.79 C ATOM 605 O PHE B 20 7.968 0.384 7.429 1.00 11.95 O ATOM 606 CB PHE B 20 5.869 -0.386 5.142 1.00 11.39 C ATOM 607 CG PHE B 20 5.224 -0.497 3.785 1.00 14.08 C ATOM 608 CD1 PHE B 20 3.991 0.105 3.539 1.00 14.24 C ATOM 609 CD2 PHE B 20 5.813 -1.249 2.775 1.00 14.43 C ATOM 610 CE1 PHE B 20 3.354 -0.043 2.306 1.00 14.49 C ATOM 611 CE2 PHE B 20 5.186 -1.404 1.539 1.00 14.17 C ATOM 612 CZ PHE B 20 3.954 -0.803 1.304 1.00 13.62 C ATOM 613 N GLU B 21 6.742 2.159 6.817 1.00 11.93 N ATOM 614 CA GLU B 21 6.799 2.755 8.143 1.00 12.71 C ATOM 615 C GLU B 21 5.367 2.989 8.592 1.00 12.60 C ATOM 616 O GLU B 21 4.542 3.483 7.822 1.00 12.53 O ATOM 617 CB GLU B 21 7.581 4.071 8.127 1.00 16.00 C ATOM 618 CG GLU B 21 9.007 3.908 7.619 1.00 20.58 C ATOM 619 CD GLU B 21 9.914 5.059 8.014 1.00 26.07 C ATOM 620 OE1 GLU B 21 9.401 6.174 8.245 1.00 27.65 O ATOM 621 OE2 GLU B 21 11.145 4.847 8.079 1.00 24.16 O ATOM 622 N GLY B 22 5.073 2.606 9.830 1.00 12.99 N ATOM 623 CA GLY B 22 3.731 2.767 10.356 1.00 13.17 C ATOM 624 C GLY B 22 3.732 3.161 11.817 1.00 14.31 C ATOM 625 O GLY B 22 4.789 3.340 12.420 1.00 12.97 O ATOM 626 N LEU B 23 2.540 3.283 12.393 1.00 12.98 N ATOM 627 CA LEU B 23 2.409 3.680 13.787 1.00 14.77 C ATOM 628 C LEU B 23 2.043 2.486 14.657 1.00 12.86 C ATOM 629 O LEU B 23 1.129 1.727 14.338 1.00 10.82 O ATOM 630 CB LEU B 23 1.335 4.763 13.913 1.00 17.09 C ATOM 631 CG LEU B 23 1.315 5.597 15.196 1.00 25.71 C ATOM 632 CD1 LEU B 23 2.626 6.366 15.325 1.00 28.50 C ATOM 633 CD2 LEU B 23 0.138 6.566 15.152 1.00 30.83 C ATOM 634 N VAL B 24 2.756 2.320 15.764 1.00 10.67 N ATOM 635 CA VAL B 24 2.476 1.211 16.661 1.00 11.27 C ATOM 636 C VAL B 24 1.213 1.534 17.449 1.00 12.69 C ATOM 637 O VAL B 24 1.094 2.619 18.013 1.00 13.20 O ATOM 638 CB VAL B 24 3.642 0.988 17.641 1.00 11.28 C ATOM 639 CG1 VAL B 24 3.309 -0.145 18.597 1.00 13.55 C ATOM 640 CG2 VAL B 24 4.916 0.677 16.859 1.00 11.15 C ATOM 641 N GLN B 25 0.266 0.602 17.481 1.00 12.20 N ATOM 642 CA GLN B 25 -0.973 0.840 18.214 1.00 14.56 C ATOM 643 C GLN B 25 -1.095 0.010 19.482 1.00 14.83 C ATOM 644 O GLN B 25 -1.698 0.449 20.462 1.00 13.60 O ATOM 645 CB GLN B 25 -2.176 0.575 17.316 1.00 13.81 C ATOM 646 CG GLN B 25 -2.204 1.457 16.081 1.00 16.17 C ATOM 647 CD GLN B 25 -3.534 1.407 15.372 1.00 18.01 C ATOM 648 OE1 GLN B 25 -4.122 0.340 15.208 1.00 19.93 O ATOM 649 NE2 GLN B 25 -4.019 2.567 14.944 1.00 17.39 N ATOM 650 N ARG B 26 -0.531 -1.193 19.456 1.00 15.30 N ATOM 651 CA ARG B 26 -0.572 -2.086 20.608 1.00 16.13 C ATOM 652 C ARG B 26 0.702 -2.926 20.661 1.00 16.28 C ATOM 653 O ARG B 26 1.286 -3.249 19.627 1.00 14.23 O ATOM 654 CB ARG B 26 -1.784 -3.024 20.519 1.00 19.40 C ATOM 655 CG ARG B 26 -3.152 -2.344 20.561 1.00 22.48 C ATOM 656 CD ARG B 26 -3.761 -2.355 21.964 1.00 29.82 C ATOM 657 NE ARG B 26 -5.187 -2.025 21.940 1.00 29.76 N ATOM 658 CZ ARG B 26 -5.715 -0.908 22.434 1.00 30.70 C ATOM 659 NH1 ARG B 26 -4.941 0.005 23.004 1.00 25.21 N ATOM 660 NH2 ARG B 26 -7.024 -0.702 22.352 1.00 28.37 N ATOM 661 N VAL B 27 1.132 -3.269 21.872 1.00 15.20 N ATOM 662 CA VAL B 27 2.318 -4.098 22.058 1.00 16.45 C ATOM 663 C VAL B 27 1.989 -5.159 23.101 1.00 17.60 C ATOM 664 O VAL B 27 1.596 -4.831 24.222 1.00 18.28 O ATOM 665 CB VAL B 27 3.522 -3.278 22.556 1.00 16.47 C ATOM 666 CG1 VAL B 27 4.711 -4.201 22.797 1.00 18.63 C ATOM 667 CG2 VAL B 27 3.884 -2.213 21.537 1.00 17.98 C ATOM 668 N SER B 28 2.141 -6.426 22.734 1.00 18.24 N ATOM 669 CA SER B 28 1.843 -7.514 23.658 1.00 21.29 C ATOM 670 C SER B 28 2.407 -8.851 23.191 1.00 20.84 C ATOM 671 O SER B 28 2.449 -9.137 21.997 1.00 21.24 O ATOM 672 CB SER B 28 0.329 -7.639 23.846 1.00 23.83 C ATOM 673 OG SER B 28 0.012 -8.705 24.722 1.00 31.24 O ATOM 674 N ASP B 29 2.841 -9.665 24.149 1.00 20.62 N ATOM 675 CA ASP B 29 3.396 -10.985 23.869 1.00 21.80 C ATOM 676 C ASP B 29 4.502 -10.995 22.810 1.00 20.32 C ATOM 677 O ASP B 29 4.542 -11.876 21.949 1.00 20.84 O ATOM 678 CB ASP B 29 2.276 -11.944 23.454 1.00 27.53 C ATOM 679 CG ASP B 29 2.726 -13.391 23.448 1.00 32.69 C ATOM 680 OD1 ASP B 29 3.329 -13.821 24.453 1.00 37.89 O ATOM 681 OD2 ASP B 29 2.473 -14.097 22.448 1.00 38.68 O ATOM 682 N GLY B 30 5.390 -10.007 22.878 1.00 17.98 N ATOM 683 CA GLY B 30 6.503 -9.921 21.943 1.00 17.32 C ATOM 684 C GLY B 30 6.150 -9.475 20.538 1.00 16.93 C ATOM 685 O GLY B 30 6.960 -9.606 19.615 1.00 15.36 O ATOM 686 N LYS B 31 4.948 -8.938 20.373 1.00 16.44 N ATOM 687 CA LYS B 31 4.489 -8.489 19.063 1.00 15.74 C ATOM 688 C LYS B 31 3.889 -7.091 19.128 1.00 14.93 C ATOM 689 O LYS B 31 3.483 -6.625 20.192 1.00 15.91 O ATOM 690 CB LYS B 31 3.447 -9.471 18.528 1.00 17.52 C ATOM 691 CG LYS B 31 3.985 -10.887 18.346 1.00 19.88 C ATOM 692 CD LYS B 31 2.881 -11.882 18.020 1.00 26.88 C ATOM 693 CE LYS B 31 1.905 -12.028 19.175 1.00 34.24 C ATOM 694 NZ LYS B 31 0.904 -13.103 18.928 1.00 36.85 N ATOM 695 N ALA B 32 3.840 -6.417 17.985 1.00 11.98 N ATOM 696 CA ALA B 32 3.268 -5.083 17.936 1.00 12.26 C ATOM 697 C ALA B 32 2.314 -4.988 16.761 1.00 12.22 C ATOM 698 O ALA B 32 2.598 -5.503 15.683 1.00 12.80 O ATOM 699 CB ALA B 32 4.370 -4.031 17.803 1.00 12.63 C ATOM 700 N ALA B 33 1.173 -4.346 16.990 1.00 12.19 N ATOM 701 CA ALA B 33 0.182 -4.137 15.944 1.00 12.90 C ATOM 702 C ALA B 33 0.555 -2.784 15.354 1.00 12.01 C ATOM 703 O ALA B 33 0.602 -1.780 16.069 1.00 12.45 O ATOM 704 CB ALA B 33 -1.214 -4.091 16.539 1.00 13.89 C ATOM 705 N VAL B 34 0.817 -2.762 14.052 1.00 10.74 N ATOM 706 CA VAL B 34 1.243 -1.547 13.369 1.00 9.98 C ATOM 707 C VAL B 34 0.255 -1.113 12.297 1.00 11.37 C ATOM 708 O VAL B 34 -0.226 -1.933 11.527 1.00 8.82 O ATOM 709 CB VAL B 34 2.618 -1.765 12.693 1.00 9.78 C ATOM 710 CG1 VAL B 34 3.086 -0.480 12.028 1.00 11.31 C ATOM 711 CG2 VAL B 34 3.637 -2.251 13.728 1.00 8.96 C ATOM 712 N LEU B 35 -0.026 0.183 12.241 1.00 9.25 N ATOM 713 CA LEU B 35 -0.951 0.711 11.243 1.00 10.18 C ATOM 714 C LEU B 35 -0.210 1.424 10.118 1.00 9.51 C ATOM 715 O LEU B 35 0.538 2.370 10.362 1.00 8.49 O ATOM 716 CB LEU B 35 -1.926 1.699 11.891 1.00 9.83 C ATOM 717 CG LEU B 35 -2.881 2.399 10.918 1.00 10.93 C ATOM 718 CD1 LEU B 35 -3.853 1.388 10.337 1.00 12.49 C ATOM 719 CD2 LEU B 35 -3.631 3.503 11.646 1.00 15.62 C ATOM 720 N PHE B 36 -0.420 0.959 8.888 1.00 9.61 N ATOM 721 CA PHE B 36 0.186 1.581 7.712 1.00 11.39 C ATOM 722 C PHE B 36 -0.944 2.355 7.040 1.00 11.21 C ATOM 723 O PHE B 36 -2.066 1.858 6.955 1.00 10.39 O ATOM 724 CB PHE B 36 0.721 0.520 6.748 1.00 10.49 C ATOM 725 CG PHE B 36 1.805 -0.333 7.328 1.00 11.44 C ATOM 726 CD1 PHE B 36 3.039 0.218 7.659 1.00 12.12 C ATOM 727 CD2 PHE B 36 1.587 -1.684 7.562 1.00 13.05 C ATOM 728 CE1 PHE B 36 4.041 -0.568 8.215 1.00 11.67 C ATOM 729 CE2 PHE B 36 2.582 -2.481 8.119 1.00 14.15 C ATOM 730 CZ PHE B 36 3.810 -1.920 8.446 1.00 13.26 C ATOM 731 N GLU B 37 -0.652 3.558 6.556 1.00 12.19 N ATOM 732 CA GLU B 37 -1.681 4.380 5.930 1.00 14.03 C ATOM 733 C GLU B 37 -1.118 5.205 4.779 1.00 13.97 C ATOM 734 O GLU B 37 0.031 5.643 4.816 1.00 15.52 O ATOM 735 CB GLU B 37 -2.285 5.311 6.988 1.00 15.94 C ATOM 736 CG GLU B 37 -3.554 6.034 6.584 1.00 24.74 C ATOM 737 CD GLU B 37 -4.117 6.866 7.726 1.00 25.90 C ATOM 738 OE1 GLU B 37 -4.217 6.333 8.850 1.00 31.92 O ATOM 739 OE2 GLU B 37 -4.461 8.045 7.504 1.00 32.44 O ATOM 740 N ASN B 38 -1.939 5.410 3.756 1.00 12.40 N ATOM 741 CA ASN B 38 -1.544 6.202 2.598 1.00 13.32 C ATOM 742 C ASN B 38 -2.847 6.561 1.891 1.00 12.41 C ATOM 743 O ASN B 38 -3.444 5.721 1.234 1.00 12.31 O ATOM 744 CB ASN B 38 -0.631 5.376 1.684 1.00 15.51 C ATOM 745 CG ASN B 38 -0.100 6.171 0.501 1.00 21.81 C ATOM 746 OD1 ASN B 38 0.792 5.715 -0.217 1.00 25.25 O ATOM 747 ND2 ASN B 38 -0.651 7.356 0.287 1.00 18.90 N ATOM 748 N GLY B 39 -3.303 7.800 2.056 1.00 13.10 N ATOM 749 CA GLY B 39 -4.552 8.202 1.424 1.00 12.98 C ATOM 750 C GLY B 39 -5.719 7.450 2.040 1.00 13.00 C ATOM 751 O GLY B 39 -5.878 7.454 3.262 1.00 12.71 O ATOM 752 N ASN B 40 -6.540 6.806 1.214 1.00 11.70 N ATOM 753 CA ASN B 40 -7.673 6.037 1.729 1.00 10.58 C ATOM 754 C ASN B 40 -7.234 4.628 2.113 1.00 11.25 C ATOM 755 O ASN B 40 -8.001 3.879 2.709 1.00 11.75 O ATOM 756 CB ASN B 40 -8.785 5.894 0.688 1.00 10.94 C ATOM 757 CG ASN B 40 -9.530 7.180 0.434 1.00 13.98 C ATOM 758 OD1 ASN B 40 -9.589 8.069 1.285 1.00 12.21 O ATOM 759 ND2 ASN B 40 -10.135 7.275 -0.744 1.00 12.04 N ATOM 760 N TRP B 41 -6.002 4.269 1.765 1.00 10.19 N ATOM 761 CA TRP B 41 -5.489 2.932 2.052 1.00 9.51 C ATOM 762 C TRP B 41 -4.929 2.799 3.461 1.00 9.64 C ATOM 763 O TRP B 41 -4.254 3.700 3.963 1.00 8.91 O ATOM 764 CB TRP B 41 -4.391 2.563 1.044 1.00 11.11 C ATOM 765 CG TRP B 41 -3.777 1.199 1.268 1.00 11.39 C ATOM 766 CD1 TRP B 41 -4.278 -0.008 0.863 1.00 13.18 C ATOM 767 CD2 TRP B 41 -2.571 0.911 1.988 1.00 11.88 C ATOM 768 NE1 TRP B 41 -3.455 -1.031 1.288 1.00 11.72 N ATOM 769 CE2 TRP B 41 -2.402 -0.494 1.982 1.00 11.67 C ATOM 770 CE3 TRP B 41 -1.616 1.704 2.640 1.00 12.30 C ATOM 771 CZ2 TRP B 41 -1.316 -1.123 2.606 1.00 14.04 C ATOM 772 CZ3 TRP B 41 -0.532 1.076 3.263 1.00 11.68 C ATOM 773 CH2 TRP B 41 -0.395 -0.324 3.239 1.00 13.55 C ATOM 774 N ASP B 42 -5.213 1.667 4.095 1.00 8.86 N ATOM 775 CA ASP B 42 -4.698 1.404 5.433 1.00 9.33 C ATOM 776 C ASP B 42 -4.766 -0.080 5.740 1.00 9.64 C ATOM 777 O ASP B 42 -5.690 -0.774 5.314 1.00 9.72 O ATOM 778 CB ASP B 42 -5.496 2.166 6.493 1.00 9.51 C ATOM 779 CG ASP B 42 -6.910 1.657 6.624 1.00 11.20 C ATOM 780 OD1 ASP B 42 -7.714 1.894 5.697 1.00 11.51 O ATOM 781 OD2 ASP B 42 -7.214 1.009 7.647 1.00 12.45 O ATOM 782 N LYS B 43 -3.767 -0.566 6.468 1.00 8.10 N ATOM 783 CA LYS B 43 -3.726 -1.962 6.872 1.00 9.80 C ATOM 784 C LYS B 43 -3.143 -2.037 8.273 1.00 9.88 C ATOM 785 O LYS B 43 -2.165 -1.358 8.580 1.00 9.65 O ATOM 786 CB LYS B 43 -2.870 -2.784 5.902 1.00 10.89 C ATOM 787 CG LYS B 43 -3.482 -2.942 4.522 1.00 18.90 C ATOM 788 CD LYS B 43 -4.700 -3.852 4.553 1.00 23.36 C ATOM 789 CE LYS B 43 -5.399 -3.865 3.202 1.00 30.85 C ATOM 790 NZ LYS B 43 -6.519 -4.845 3.154 1.00 35.15 N ATOM 791 N LEU B 44 -3.762 -2.855 9.118 1.00 9.08 N ATOM 792 CA LEU B 44 -3.308 -3.051 10.491 1.00 10.65 C ATOM 793 C LEU B 44 -2.659 -4.427 10.495 1.00 10.44 C ATOM 794 O LEU B 44 -3.334 -5.441 10.297 1.00 8.99 O ATOM 795 CB LEU B 44 -4.501 -3.012 11.450 1.00 10.92 C ATOM 796 CG LEU B 44 -4.215 -3.263 12.932 1.00 12.30 C ATOM 797 CD1 LEU B 44 -3.205 -2.250 13.442 1.00 12.28 C ATOM 798 CD2 LEU B 44 -5.509 -3.163 13.724 1.00 15.49 C ATOM 799 N VAL B 45 -1.347 -4.452 10.719 1.00 9.28 N ATOM 800 CA VAL B 45 -0.578 -5.692 10.682 1.00 11.19 C ATOM 801 C VAL B 45 0.227 -5.940 11.951 1.00 11.34 C ATOM 802 O VAL B 45 0.810 -5.017 12.512 1.00 10.26 O ATOM 803 CB VAL B 45 0.403 -5.651 9.491 1.00 11.15 C ATOM 804 CG1 VAL B 45 1.046 -7.014 9.278 1.00 13.48 C ATOM 805 CG2 VAL B 45 -0.330 -5.184 8.243 1.00 12.40 C ATOM 806 N THR B 46 0.273 -7.195 12.384 1.00 11.96 N ATOM 807 CA THR B 46 1.026 -7.552 13.579 1.00 12.94 C ATOM 808 C THR B 46 2.390 -8.120 13.191 1.00 14.49 C ATOM 809 O THR B 46 2.493 -8.954 12.288 1.00 13.19 O ATOM 810 CB THR B 46 0.256 -8.577 14.420 1.00 15.82 C ATOM 811 OG1 THR B 46 -0.978 -7.993 14.853 1.00 17.66 O ATOM 812 CG2 THR B 46 1.066 -8.994 15.640 1.00 16.30 C ATOM 813 N PHE B 47 3.430 -7.654 13.875 1.00 12.38 N ATOM 814 CA PHE B 47 4.805 -8.083 13.623 1.00 12.73 C ATOM 815 C PHE B 47 5.489 -8.451 14.927 1.00 13.61 C ATOM 816 O PHE B 47 5.073 -8.013 16.000 1.00 13.96 O ATOM 817 CB PHE B 47 5.625 -6.936 13.030 1.00 12.19 C ATOM 818 CG PHE B 47 5.148 -6.460 11.703 1.00 11.99 C ATOM 819 CD1 PHE B 47 5.619 -7.042 10.533 1.00 12.52 C ATOM 820 CD2 PHE B 47 4.242 -5.411 11.618 1.00 12.21 C ATOM 821 CE1 PHE B 47 5.198 -6.582 9.298 1.00 12.33 C ATOM 822 CE2 PHE B 47 3.816 -4.945 10.387 1.00 12.06 C ATOM 823 CZ PHE B 47 4.293 -5.530 9.226 1.00 12.24 C ATOM 824 N ARG B 48 6.547 -9.249 14.837 1.00 12.79 N ATOM 825 CA ARG B 48 7.311 -9.573 16.033 1.00 13.29 C ATOM 826 C ARG B 48 8.134 -8.308 16.252 1.00 12.63 C ATOM 827 O ARG B 48 8.476 -7.620 15.294 1.00 11.49 O ATOM 828 CB ARG B 48 8.246 -10.756 15.787 1.00 16.08 C ATOM 829 CG ARG B 48 7.554 -12.011 15.309 1.00 23.39 C ATOM 830 CD ARG B 48 8.513 -13.192 15.303 1.00 32.29 C ATOM 831 NE ARG B 48 7.997 -14.294 14.499 1.00 46.92 N ATOM 832 CZ ARG B 48 7.940 -14.284 13.171 1.00 52.35 C ATOM 833 NH1 ARG B 48 8.374 -13.227 12.495 1.00 51.50 N ATOM 834 NH2 ARG B 48 7.442 -15.324 12.516 1.00 59.46 N ATOM 835 N LEU B 49 8.449 -7.991 17.500 1.00 11.77 N ATOM 836 CA LEU B 49 9.229 -6.794 17.783 1.00 12.24 C ATOM 837 C LEU B 49 10.597 -6.845 17.105 1.00 12.83 C ATOM 838 O LEU B 49 11.174 -5.808 16.776 1.00 14.28 O ATOM 839 CB LEU B 49 9.388 -6.623 19.299 1.00 11.73 C ATOM 840 CG LEU B 49 8.080 -6.283 20.021 1.00 13.90 C ATOM 841 CD1 LEU B 49 8.271 -6.354 21.530 1.00 17.24 C ATOM 842 CD2 LEU B 49 7.620 -4.895 19.604 1.00 14.66 C ATOM 843 N SER B 50 11.099 -8.055 16.880 1.00 13.72 N ATOM 844 CA SER B 50 12.399 -8.236 16.244 1.00 15.67 C ATOM 845 C SER B 50 12.357 -7.881 14.756 1.00 16.54 C ATOM 846 O SER B 50 13.397 -7.771 14.108 1.00 16.93 O ATOM 847 CB SER B 50 12.869 -9.682 16.420 1.00 17.02 C ATOM 848 OG SER B 50 11.970 -10.584 15.805 1.00 18.64 O ATOM 849 N GLU B 51 11.149 -7.701 14.226 1.00 14.48 N ATOM 850 CA GLU B 51 10.957 -7.352 12.819 1.00 16.32 C ATOM 851 C GLU B 51 10.773 -5.850 12.644 1.00 14.90 C ATOM 852 O GLU B 51 10.530 -5.381 11.531 1.00 16.10 O ATOM 853 CB GLU B 51 9.698 -8.017 12.259 1.00 17.17 C ATOM 854 CG GLU B 51 9.717 -9.517 12.139 1.00 22.11 C ATOM 855 CD GLU B 51 8.411 -10.032 11.560 1.00 25.10 C ATOM 856 OE1 GLU B 51 7.448 -10.228 12.333 1.00 21.79 O ATOM 857 OE2 GLU B 51 8.340 -10.215 10.324 1.00 26.66 O ATOM 858 N LEU B 52 10.881 -5.099 13.735 1.00 14.10 N ATOM 859 CA LEU B 52 10.662 -3.659 13.679 1.00 13.54 C ATOM 860 C LEU B 52 11.835 -2.794 14.120 1.00 14.17 C ATOM 861 O LEU B 52 12.655 -3.206 14.940 1.00 16.32 O ATOM 862 CB LEU B 52 9.443 -3.305 14.533 1.00 9.97 C ATOM 863 CG LEU B 52 8.159 -4.053 14.163 1.00 9.97 C ATOM 864 CD1 LEU B 52 7.080 -3.794 15.209 1.00 10.96 C ATOM 865 CD2 LEU B 52 7.704 -3.601 12.784 1.00 10.34 C ATOM 866 N GLU B 53 11.885 -1.584 13.570 1.00 14.29 N ATOM 867 CA GLU B 53 12.921 -0.603 13.882 1.00 14.36 C ATOM 868 C GLU B 53 12.241 0.722 14.214 1.00 14.29 C ATOM 869 O GLU B 53 11.564 1.307 13.368 1.00 14.77 O ATOM 870 CB GLU B 53 13.835 -0.398 12.673 1.00 16.40 C ATOM 871 CG GLU B 53 14.867 0.711 12.830 1.00 17.82 C ATOM 872 CD GLU B 53 15.403 1.185 11.493 1.00 18.63 C ATOM 873 OE1 GLU B 53 15.351 0.399 10.525 1.00 17.68 O ATOM 874 OE2 GLU B 53 15.885 2.337 11.409 1.00 19.44 O ATOM 875 N ALA B 54 12.410 1.203 15.440 1.00 16.20 N ATOM 876 CA ALA B 54 11.800 2.475 15.809 1.00 16.48 C ATOM 877 C ALA B 54 12.516 3.593 15.056 1.00 18.46 C ATOM 878 O ALA B 54 13.746 3.597 14.964 1.00 17.64 O ATOM 879 CB ALA B 54 11.911 2.695 17.313 1.00 19.14 C ATOM 880 N VAL B 55 11.749 4.532 14.509 1.00 18.76 N ATOM 881 CA VAL B 55 12.323 5.653 13.768 1.00 23.68 C ATOM 882 C VAL B 55 11.714 6.977 14.220 1.00 27.55 C ATOM 883 O VAL B 55 10.817 7.002 15.060 1.00 24.18 O ATOM 884 CB VAL B 55 12.112 5.497 12.242 1.00 25.31 C ATOM 885 CG1 VAL B 55 12.910 4.308 11.724 1.00 25.49 C ATOM 886 CG2 VAL B 55 10.641 5.315 11.933 1.00 25.82 C ATOM 887 N LYS B 56 12.201 8.077 13.655 1.00 32.26 N ATOM 888 CA LYS B 56 11.710 9.403 14.014 1.00 37.84 C ATOM 889 C LYS B 56 10.329 9.669 13.418 1.00 40.31 C ATOM 890 O LYS B 56 9.970 8.982 12.437 1.00 42.43 O ATOM 891 CB LYS B 56 12.696 10.473 13.528 1.00 39.00 C ATOM 892 CG LYS B 56 14.159 10.192 13.872 1.00 42.04 C ATOM 893 CD LYS B 56 14.728 9.058 13.024 1.00 47.96 C ATOM 894 CE LYS B 56 16.136 8.678 13.454 1.00 50.82 C ATOM 895 NZ LYS B 56 16.681 7.569 12.620 1.00 56.08 N TER 897 LYS B 56 HETATM 897 O HOH A 104 -13.257 8.839 -11.088 1.00 14.96 O HETATM 898 O HOH A 105 -16.350 1.375 -18.033 1.00 17.42 O HETATM 899 O HOH A 108 -6.569 10.403 -19.173 1.00 13.61 O HETATM 900 O HOH A 109 1.041 -7.514 -1.625 1.00 19.56 O HETATM 901 O HOH A 110 2.739 1.701 -8.262 1.00 15.74 O HETATM 902 O HOH A 111 -5.003 14.758 -10.894 1.00 18.84 O HETATM 903 O HOH A 112 1.182 5.084 -5.865 1.00 19.95 O HETATM 904 O HOH A 113 -3.447 -8.358 -6.120 1.00 18.44 O HETATM 905 O HOH A 116 0.356 0.430 -0.048 1.00 16.65 O HETATM 906 O HOH A 117 -9.475 0.846 -5.172 1.00 15.93 O HETATM 907 O HOH A 118 1.732 2.276 -5.208 1.00 19.60 O HETATM 908 O HOH A 122 11.508 -4.333 -1.582 1.00 21.42 O HETATM 909 O HOH A 124 -17.925 -0.630 -16.791 1.00 27.03 O HETATM 910 O HOH A 129 -11.164 1.864 0.843 1.00 20.15 O HETATM 911 O HOH A 132 -5.382 -5.428 -22.884 1.00 26.26 O HETATM 912 O HOH A 133 -18.278 4.806 -16.184 1.00 34.14 O HETATM 913 O HOH A 135 4.101 4.117 -18.161 1.00 24.08 O HETATM 914 O HOH A 136 -9.672 -2.411 -0.157 1.00 27.40 O HETATM 915 O HOH A 139 3.273 -1.174 -11.177 1.00 27.38 O HETATM 916 O HOH A 144 -10.354 -5.703 -8.907 1.00 24.88 O HETATM 917 O HOH A 152 2.002 2.342 -0.316 1.00 24.68 O HETATM 918 O HOH A 153 2.450 3.221 -2.723 1.00 26.01 O HETATM 919 O HOH A 157 -8.357 4.560 -22.885 1.00 23.43 O HETATM 920 O HOH A 159 -20.063 5.691 -21.793 1.00 26.22 O HETATM 921 O HOH A 161 -7.561 -7.045 -11.922 1.00 29.05 O HETATM 922 O HOH A 163 -5.726 15.767 -6.136 1.00 25.56 O HETATM 923 O HOH A 168 1.555 -3.598 -18.894 1.00 30.24 O HETATM 924 O HOH A 171 6.268 2.828 1.984 1.00 28.89 O HETATM 925 O HOH A 173 -9.374 -5.743 -24.972 1.00 32.68 O HETATM 926 O HOH A 175 -18.081 -2.722 -18.792 1.00 26.68 O HETATM 927 O HOH A 176 8.667 0.111 -5.193 1.00 34.58 O HETATM 928 O HOH A 181 -18.418 10.236 -3.614 1.00 31.19 O HETATM 929 O HOH A 183 -18.419 -1.695 -12.305 1.00 43.75 O HETATM 930 O HOH A 184 -6.873 -8.781 -14.218 1.00 32.36 O HETATM 931 O HOH A 186 0.338 14.420 -13.566 1.00 44.38 O HETATM 932 O HOH A 187 -19.724 -1.324 -20.317 1.00 29.33 O HETATM 933 O HOH A 188 -5.769 3.782 -26.964 1.00 35.74 O HETATM 934 O HOH A 190 3.611 3.710 -11.607 1.00 36.35 O HETATM 935 O HOH A 191 -4.183 13.030 -15.726 1.00 32.02 O HETATM 936 O HOH A 192 2.532 -3.817 -21.508 1.00 38.09 O HETATM 937 O HOH A 193 -0.927 11.999 -3.171 1.00 49.24 O HETATM 938 O HOH A 201 -0.923 8.155 -3.213 1.00 35.24 O HETATM 939 O HOH A 205 3.636 5.330 -6.852 1.00 45.66 O HETATM 940 O HOH A 207 -7.478 -7.635 -22.845 1.00 47.92 O HETATM 941 O HOH A 209 -3.802 16.265 0.451 1.00 48.99 O HETATM 942 O HOH A 210 2.438 -10.135 -4.192 1.00 33.04 O HETATM 943 O HOH A 211 6.186 -6.189 -5.198 1.00 34.51 O HETATM 944 O HOH A 212 -6.056 -3.529 -24.862 1.00 45.40 O HETATM 945 O HOH A 213 -5.824 -8.945 -4.861 1.00 40.91 O HETATM 946 O HOH A 214 6.076 -9.960 -1.064 1.00 32.98 O HETATM 947 O HOH A 215 -15.000 -2.269 -12.662 1.00 44.10 O HETATM 948 O HOH A 218 0.087 -7.811 -13.485 1.00 33.71 O HETATM 949 O HOH A 220 -6.133 -11.269 -13.583 1.00 34.20 O HETATM 950 O HOH A 221 8.937 6.779 -12.809 1.00 44.09 O HETATM 951 O HOH A 222 -2.581 -3.983 -26.456 1.00 48.98 O HETATM 952 O HOH A 224 -8.486 -2.104 -25.968 1.00 33.70 O HETATM 953 O HOH A 226 5.177 -2.980 -11.512 1.00 36.13 O HETATM 954 O HOH A 228 4.164 1.236 -10.774 1.00 36.91 O HETATM 955 O HOH A 233 0.781 7.097 -19.124 1.00 41.14 O HETATM 956 O HOH A 234 -8.183 -0.473 -28.304 1.00 40.52 O HETATM 957 O HOH A 236 -9.144 -5.381 -17.919 1.00 29.50 O HETATM 958 O HOH A 238 -2.959 7.893 -1.733 1.00 30.50 O HETATM 959 O HOH A 240 -17.012 8.047 -5.815 1.00 31.49 O HETATM 960 O HOH A 243 2.219 -9.783 -1.688 1.00 35.49 O HETATM 961 O HOH A 244 8.612 -3.959 -8.507 1.00 31.63 O HETATM 962 O HOH A 246 -4.213 14.349 -7.630 1.00 26.51 O HETATM 963 O HOH A 249 -0.956 10.881 -7.438 1.00 23.26 O HETATM 964 O HOH A 252 4.997 4.360 -13.764 1.00 25.84 O HETATM 965 O HOH A 254 8.304 -3.168 -6.105 1.00 26.45 O HETATM 966 O HOH A 255 -3.815 9.151 -22.516 1.00 27.56 O HETATM 967 O HOH A 256 -2.904 -6.661 -22.073 1.00 26.37 O HETATM 968 O HOH A 259 8.482 -0.699 0.468 1.00 23.80 O TER 970 HOH A 259 HETATM 970 O HOH B 101 -7.687 -0.344 3.323 1.00 12.10 O HETATM 971 O HOH B 102 -5.786 6.128 -1.320 1.00 10.93 O HETATM 972 O HOH B 103 7.656 -3.644 0.952 1.00 13.36 O HETATM 973 O HOH B 106 -9.608 1.670 3.033 1.00 11.87 O HETATM 974 O HOH B 107 -9.751 8.434 4.053 1.00 11.64 O HETATM 975 O HOH B 114 15.394 -9.781 7.576 1.00 21.02 O HETATM 976 O HOH B 115 13.405 -7.883 0.184 1.00 21.35 O HETATM 977 O HOH B 119 5.774 8.430 16.471 1.00 25.44 O HETATM 978 O HOH B 120 10.345 -10.149 18.862 1.00 20.43 O HETATM 979 O HOH B 121 0.538 5.094 9.848 1.00 23.26 O HETATM 980 O HOH B 123 13.074 -9.905 10.829 1.00 36.31 O HETATM 981 O HOH B 125 15.712 2.085 16.226 1.00 22.02 O HETATM 982 O HOH B 126 9.107 6.484 17.119 1.00 24.87 O HETATM 983 O HOH B 127 -0.971 4.531 18.663 1.00 16.51 O HETATM 984 O HOH B 128 2.847 3.938 1.621 1.00 23.76 O HETATM 985 O HOH B 130 -5.945 5.778 12.226 1.00 24.71 O HETATM 986 O HOH B 131 -1.327 -9.246 11.057 1.00 23.12 O HETATM 987 O HOH B 134 14.903 -4.321 -2.874 1.00 40.31 O HETATM 988 O HOH B 137 15.968 4.092 13.548 1.00 24.71 O HETATM 989 O HOH B 138 -0.507 -2.143 24.003 1.00 19.97 O HETATM 990 O HOH B 140 4.735 -11.289 4.760 1.00 28.22 O HETATM 991 O HOH B 141 2.089 4.556 7.160 1.00 19.14 O HETATM 992 O HOH B 142 10.924 -2.404 0.149 1.00 19.03 O HETATM 993 O HOH B 143 2.330 3.219 4.399 1.00 25.34 O HETATM 994 O HOH B 145 -4.575 8.635 5.185 1.00 27.20 O HETATM 995 O HOH B 146 5.379 3.487 4.579 1.00 20.34 O HETATM 996 O HOH B 147 -2.853 -6.770 13.409 1.00 25.45 O HETATM 997 O HOH B 148 18.005 -8.974 7.188 1.00 28.30 O HETATM 998 O HOH B 150 3.303 -9.706 9.535 1.00 26.80 O HETATM 999 O HOH B 151 18.014 -4.362 5.822 1.00 29.08 O HETATM 1000 O HOH B 154 10.510 5.204 19.466 1.00 29.01 O HETATM 1001 O HOH B 155 -7.139 -4.599 -0.280 1.00 38.48 O HETATM 1002 O HOH B 156 16.982 -6.056 7.988 1.00 27.07 O HETATM 1003 O HOH B 158 -1.729 9.847 3.655 1.00 32.18 O HETATM 1004 O HOH B 160 -3.261 -3.806 0.428 1.00 28.15 O HETATM 1005 O HOH B 162 21.802 -10.528 5.781 1.00 39.39 O HETATM 1006 O HOH B 165 5.273 -14.560 14.877 1.00 44.12 O HETATM 1007 O HOH B 166 -5.697 11.143 2.642 1.00 43.61 O HETATM 1008 O HOH B 169 1.713 7.329 3.590 1.00 36.39 O HETATM 1009 O HOH B 170 7.787 -12.100 19.454 1.00 38.37 O HETATM 1010 O HOH B 172 -7.254 7.773 9.228 1.00 31.39 O HETATM 1011 O HOH B 177 -0.372 -9.283 2.869 1.00 41.94 O HETATM 1012 O HOH B 178 11.899 4.442 24.800 1.00 38.31 O HETATM 1013 O HOH B 179 0.859 6.064 -3.468 1.00 32.94 O HETATM 1014 O HOH B 180 0.417 2.891 26.180 1.00 38.93 O HETATM 1015 O HOH B 182 -4.941 5.155 14.793 1.00 26.01 O HETATM 1016 O HOH B 185 1.897 4.931 24.737 1.00 32.06 O HETATM 1017 O HOH B 189 19.335 -9.533 4.815 1.00 38.79 O HETATM 1018 O HOH B 195 16.080 -2.642 6.897 1.00 33.01 O HETATM 1019 O HOH B 196 0.099 -6.478 19.702 1.00 33.70 O HETATM 1020 O HOH B 198 10.903 0.004 -1.064 1.00 39.99 O HETATM 1021 O HOH B 199 -0.923 -10.131 18.683 1.00 38.38 O HETATM 1022 O HOH B 200 2.541 -9.571 6.568 1.00 59.55 O HETATM 1023 O HOH B 202 1.488 -7.939 27.785 1.00 44.33 O HETATM 1024 O HOH B 203 19.598 -5.585 3.888 1.00 35.14 O HETATM 1025 O HOH B 204 2.522 9.027 17.954 1.00 32.11 O HETATM 1026 O HOH B 206 17.342 -5.521 1.606 1.00 37.46 O HETATM 1027 O HOH B 208 5.513 -11.182 10.990 1.00 40.86 O HETATM 1028 O HOH B 216 3.804 -11.873 14.505 1.00 32.36 O HETATM 1029 O HOH B 217 14.618 -7.669 11.007 1.00 33.63 O HETATM 1030 O HOH B 219 -0.661 -7.401 0.774 1.00 28.69 O HETATM 1031 O HOH B 223 -1.240 -7.714 17.646 1.00 36.31 O HETATM 1032 O HOH B 225 13.346 2.298 20.972 1.00 49.22 O HETATM 1033 O HOH B 227 -1.977 -5.500 1.930 1.00 36.67 O HETATM 1034 O HOH B 229 3.316 -9.563 26.877 1.00 36.95 O HETATM 1035 O HOH B 230 3.307 10.252 13.031 1.00 40.10 O HETATM 1036 O HOH B 231 7.812 -14.408 5.566 1.00 44.02 O HETATM 1037 O HOH B 232 4.929 6.853 8.318 1.00 47.72 O HETATM 1038 O HOH B 235 11.436 -12.660 17.028 1.00 43.22 O HETATM 1039 O HOH B 237 10.647 2.674 20.409 1.00 28.79 O HETATM 1040 O HOH B 242 -4.287 -6.987 2.248 1.00 39.70 O HETATM 1041 O HOH B 245 -2.418 4.999 14.691 1.00 25.23 O HETATM 1042 O HOH B 250 1.498 -10.241 4.386 1.00 27.14 O HETATM 1043 O HOH B 251 13.029 -11.270 13.049 1.00 27.40 O HETATM 1044 O HOH B 253 13.749 -1.349 6.583 1.00 24.38 O HETATM 1045 O HOH B 258 15.900 0.506 4.531 1.00 27.75 O HETATM 1046 O HOH B 260 6.460 -11.417 1.091 1.00 27.43 O TER 1047 HOH B 260 ENDMDL MASTER END