HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-OCT-05 2ES9 TITLE CRYSTAL STRUCTURE OF Q8ZRJ2 FROM SALMONELLA TYPHIMURIUM. TITLE 2 NESG TARGET STR65 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; SOURCE 3 ORGANISM_TAXID: 99287; SOURCE 4 STRAIN: LT2; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PE21 KEYWDS STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, KEYWDS 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, UNKNOWN KEYWDS 3 FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR J.BENACH,M.ABASHIDZE,S.JAYARAMAN,H.JANJUA,B.COOPER,X.RONG, AUTHOR 2 T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST AUTHOR 3 STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 3 24-FEB-09 2ES9 1 VERSN REVDAT 2 24-JAN-06 2ES9 1 AUTHOR REVDAT 1 01-NOV-05 2ES9 0 JRNL AUTH J.BENACH,M.ABASHIDZE,S.JAYARAMAN,X.RONG,T.B.ACTON, JRNL AUTH 2 G.T.MONTELIONE,L.TONG JRNL TITL CRYSTAL STRUCTURE OF Q8ZRJ2 FROM SALMONELLA JRNL TITL 2 TYPHIMURIUM NESG TARGET STR65. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 18.81 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 677899.280 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.1 REMARK 3 NUMBER OF REFLECTIONS : 8999 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) : 0.242 REMARK 3 FREE R VALUE : 0.260 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.400 REMARK 3 FREE R VALUE TEST SET COUNT : 1380 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) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2237 REMARK 3 BIN R VALUE (WORKING SET) : 0.2740 REMARK 3 BIN FREE R VALUE : 0.3100 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 183 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.023 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 778 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 163 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 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) : 0.29 REMARK 3 ESD FROM SIGMAA (A) : 0.20 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) : 0.34 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.23 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.02 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 : 0.29 REMARK 3 BSOL : 39.34 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ES9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-OCT-05. REMARK 100 THE RCSB ID CODE IS RCSB035029. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-SEP-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : NULL 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) : 0.97915, 0.97944, 0.96801 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9163 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 42.800 REMARK 200 R MERGE (I) : 0.09700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 40.00 REMARK 200 R MERGE FOR SHELL (I) : 0.56000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE/RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.34 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 3 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 REMARK 290 13555 X+1/2,Y+1/2,Z+1/2 REMARK 290 14555 -X,-Y+1/2,Z REMARK 290 15555 -X+1/2,Y,-Z REMARK 290 16555 X,-Y,-Z+1/2 REMARK 290 17555 Z+1/2,X+1/2,Y+1/2 REMARK 290 18555 Z,-X,-Y+1/2 REMARK 290 19555 -Z,-X+1/2,Y REMARK 290 20555 -Z+1/2,X,-Y REMARK 290 21555 Y+1/2,Z+1/2,X+1/2 REMARK 290 22555 -Y+1/2,Z,-X REMARK 290 23555 Y,-Z,-X+1/2 REMARK 290 24555 -Y,-Z+1/2,X 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 44.11650 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY1 17 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY2 17 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY3 17 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY1 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY1 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 19 -1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY3 19 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY2 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 1.000000 0.000000 44.11650 REMARK 290 SMTRY2 21 0.000000 0.000000 1.000000 44.11650 REMARK 290 SMTRY3 21 1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY1 22 0.000000 -1.000000 0.000000 44.11650 REMARK 290 SMTRY2 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 22 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 23 -1.000000 0.000000 0.000000 44.11650 REMARK 290 SMTRY1 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 0.000000 -1.000000 44.11650 REMARK 290 SMTRY3 24 1.000000 0.000000 0.000000 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 MSE A 1 REMARK 465 VAL A 2 REMARK 465 ASN A 3 REMARK 465 PHE A 4 REMARK 465 LYS A 5 REMARK 465 ASP A 6 REMARK 465 LYS A 7 REMARK 465 SER A 8 REMARK 465 MSE A 9 REMARK 465 PRO A 10 REMARK 465 HIS A 111 REMARK 465 HIS A 112 REMARK 465 HIS A 113 REMARK 465 HIS A 114 REMARK 465 HIS A 115 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 205 DISTANCE = 5.01 ANGSTROMS REMARK 525 HOH A 274 DISTANCE = 8.09 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: STR65 RELATED DB: TARGETDB DBREF 2ES9 A 1 107 UNP Q8ZRJ2 Q8ZRJ2_SALTY 1 107 SEQADV 2ES9 MSE A 1 UNP Q8ZRJ2 MET 1 MODIFIED RESIDUE SEQADV 2ES9 MSE A 9 UNP Q8ZRJ2 MET 9 MODIFIED RESIDUE SEQADV 2ES9 MSE A 23 UNP Q8ZRJ2 MET 23 MODIFIED RESIDUE SEQADV 2ES9 MSE A 33 UNP Q8ZRJ2 MET 33 MODIFIED RESIDUE SEQADV 2ES9 MSE A 99 UNP Q8ZRJ2 MET 99 MODIFIED RESIDUE SEQADV 2ES9 LEU A 108 UNP Q8ZRJ2 CLONING ARTIFACT SEQADV 2ES9 GLU A 109 UNP Q8ZRJ2 CLONING ARTIFACT SEQADV 2ES9 HIS A 110 UNP Q8ZRJ2 EXPRESSION TAG SEQADV 2ES9 HIS A 111 UNP Q8ZRJ2 EXPRESSION TAG SEQADV 2ES9 HIS A 112 UNP Q8ZRJ2 EXPRESSION TAG SEQADV 2ES9 HIS A 113 UNP Q8ZRJ2 EXPRESSION TAG SEQADV 2ES9 HIS A 114 UNP Q8ZRJ2 EXPRESSION TAG SEQADV 2ES9 HIS A 115 UNP Q8ZRJ2 EXPRESSION TAG SEQRES 1 A 115 MSE VAL ASN PHE LYS ASP LYS SER MSE PRO THR ALA ILE SEQRES 2 A 115 GLU LYS ALA LEU ASP PHE ILE GLY GLY MSE ASN THR SER SEQRES 3 A 115 ALA SER VAL PRO HIS SER MSE ASP GLU SER THR ALA LYS SEQRES 4 A 115 GLY ILE LEU LYS TYR LEU HIS ASP LEU GLY VAL PRO VAL SEQRES 5 A 115 SER PRO GLU VAL VAL VAL ALA ARG GLY GLU GLN GLU GLY SEQRES 6 A 115 TRP ASN PRO GLU PHE THR LYS LYS VAL ALA GLY TRP ALA SEQRES 7 A 115 GLU LYS VAL ALA SER GLY ASN ARG ILE LEU ILE LYS ASN SEQRES 8 A 115 PRO GLU TYR PHE SER THR TYR MSE GLN GLU GLN LEU LYS SEQRES 9 A 115 GLU LEU VAL LEU GLU HIS HIS HIS HIS HIS HIS MODRES 2ES9 MSE A 23 MET SELENOMETHIONINE MODRES 2ES9 MSE A 33 MET SELENOMETHIONINE MODRES 2ES9 MSE A 99 MET SELENOMETHIONINE HET MSE A 23 8 HET MSE A 33 8 HET MSE A 99 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 2 HOH *163(H2 O) HELIX 1 1 THR A 11 GLY A 22 1 12 HELIX 2 2 HIS A 31 LEU A 48 1 18 HELIX 3 3 SER A 53 GLU A 64 1 12 HELIX 4 4 ASN A 67 SER A 83 1 17 HELIX 5 5 ASN A 91 PHE A 95 5 5 HELIX 6 6 SER A 96 GLU A 109 1 14 LINK C GLY A 22 N MSE A 23 1555 1555 1.33 LINK C MSE A 23 N ASN A 24 1555 1555 1.33 LINK C SER A 32 N MSE A 33 1555 1555 1.33 LINK C MSE A 33 N ASP A 34 1555 1555 1.33 LINK C TYR A 98 N MSE A 99 1555 1555 1.33 LINK C MSE A 99 N GLN A 100 1555 1555 1.33 CRYST1 88.233 88.233 88.233 90.00 90.00 90.00 I 21 3 24 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 0.011334 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011334 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011334 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES9.PDB, MODEL/S 1 2ES9.PDB REMARK PdbStat -- SEQRES 1 A 263 THR ALA ILE GLU LYS ALA LEU ASP PHE ILE GLY GLY MSE SEQRES 2 A 263 ASN THR SER ALA SER VAL PRO HIS SER MSE ASP GLU SER SEQRES 3 A 263 THR ALA LYS GLY ILE LEU LYS TYR LEU HIS ASP LEU GLY SEQRES 4 A 263 VAL PRO VAL SER PRO GLU VAL VAL VAL ALA ARG GLY GLU SEQRES 5 A 263 GLN GLU GLY TRP ASN PRO GLU PHE THR LYS LYS VAL ALA SEQRES 6 A 263 GLY TRP ALA GLU LYS VAL ALA SER GLY ASN ARG ILE LEU SEQRES 7 A 263 ILE LYS ASN PRO GLU TYR PHE SER THR TYR MSE GLN GLU SEQRES 8 A 263 GLN LEU LYS GLU LEU VAL LEU GLU HIS HOH HOH HOH HOH SEQRES 9 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 263 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES9.PDB, MODEL/S 1 2ES9.PDB REMARK PdbStat -- SEQRES 1 A 263 THR ALA ILE GLU LYS ALA LEU ASP PHE ILE GLY GLY MSE SEQRES 2 A 263 ASN THR SER ALA SER VAL PRO HIS SER MSE ASP GLU SER SEQRES 3 A 263 THR ALA LYS GLY ILE LEU LYS TYR LEU HIS ASP LEU GLY SEQRES 4 A 263 VAL PRO VAL SER PRO GLU VAL VAL VAL ALA ARG GLY GLU SEQRES 5 A 263 GLN GLU GLY TRP ASN PRO GLU PHE THR LYS LYS VAL ALA SEQRES 6 A 263 GLY TRP ALA GLU LYS VAL ALA SER GLY ASN ARG ILE LEU SEQRES 7 A 263 ILE LYS ASN PRO GLU TYR PHE SER THR TYR MSE GLN GLU SEQRES 8 A 263 GLN LEU LYS GLU LEU VAL LEU GLU HIS HOH HOH HOH HOH SEQRES 9 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 263 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES9.PDB, MODEL/S 1 2ES9.PDB REMARK PdbStat -- SEQRES 1 A 263 THR ALA ILE GLU LYS ALA LEU ASP PHE ILE GLY GLY MSE SEQRES 2 A 263 ASN THR SER ALA SER VAL PRO HIS SER MSE ASP GLU SER SEQRES 3 A 263 THR ALA LYS GLY ILE LEU LYS TYR LEU HIS ASP LEU GLY SEQRES 4 A 263 VAL PRO VAL SER PRO GLU VAL VAL VAL ALA ARG GLY GLU SEQRES 5 A 263 GLN GLU GLY TRP ASN PRO GLU PHE THR LYS LYS VAL ALA SEQRES 6 A 263 GLY TRP ALA GLU LYS VAL ALA SER GLY ASN ARG ILE LEU SEQRES 7 A 263 ILE LYS ASN PRO GLU TYR PHE SER THR TYR MSE GLN GLU SEQRES 8 A 263 GLN LEU LYS GLU LEU VAL LEU GLU HIS HOH HOH HOH HOH SEQRES 9 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 263 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES9.PDB, MODEL/S 1 2ES9.PDB REMARK PdbStat -- SEQRES 1 A 263 THR ALA ILE GLU LYS ALA LEU ASP PHE ILE GLY GLY MSE SEQRES 2 A 263 ASN THR SER ALA SER VAL PRO HIS SER MSE ASP GLU SER SEQRES 3 A 263 THR ALA LYS GLY ILE LEU LYS TYR LEU HIS ASP LEU GLY SEQRES 4 A 263 VAL PRO VAL SER PRO GLU VAL VAL VAL ALA ARG GLY GLU SEQRES 5 A 263 GLN GLU GLY TRP ASN PRO GLU PHE THR LYS LYS VAL ALA SEQRES 6 A 263 GLY TRP ALA GLU LYS VAL ALA SER GLY ASN ARG ILE LEU SEQRES 7 A 263 ILE LYS ASN PRO GLU TYR PHE SER THR TYR MSE GLN GLU SEQRES 8 A 263 GLN LEU LYS GLU LEU VAL LEU GLU HIS HOH HOH HOH HOH SEQRES 9 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 10 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 11 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 12 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 263 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 263 HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2ES9.pdb ATOM 1 N THR A 11 -4.495 24.346 -5.077 1.00 36.03 N ATOM 2 CA THR A 11 -4.260 24.340 -3.607 1.00 36.18 C ATOM 3 C THR A 11 -3.769 22.971 -3.113 1.00 35.87 C ATOM 4 O THR A 11 -3.881 21.966 -3.817 1.00 36.09 O ATOM 5 CB THR A 11 -5.539 24.756 -2.831 1.00 37.02 C ATOM 6 OG1 THR A 11 -5.176 25.206 -1.523 1.00 40.62 O ATOM 7 CG2 THR A 11 -6.504 23.590 -2.686 1.00 33.59 C ATOM 8 N ALA A 12 -3.234 22.944 -1.894 1.00 35.15 N ATOM 9 CA ALA A 12 -2.721 21.715 -1.287 1.00 33.86 C ATOM 10 C ALA A 12 -3.788 20.632 -1.162 1.00 32.85 C ATOM 11 O ALA A 12 -3.523 19.461 -1.430 1.00 30.52 O ATOM 12 CB ALA A 12 -2.116 22.015 0.074 1.00 31.95 C ATOM 13 N ILE A 13 -4.997 21.029 -0.775 1.00 33.40 N ATOM 14 CA ILE A 13 -6.108 20.089 -0.624 1.00 34.01 C ATOM 15 C ILE A 13 -6.493 19.457 -1.966 1.00 36.23 C ATOM 16 O ILE A 13 -6.740 18.249 -2.043 1.00 36.10 O ATOM 17 CB ILE A 13 -7.341 20.782 0.013 1.00 35.41 C ATOM 18 CG1 ILE A 13 -6.989 21.263 1.425 1.00 35.37 C ATOM 19 CG2 ILE A 13 -8.537 19.832 0.044 1.00 33.37 C ATOM 20 CD1 ILE A 13 -7.976 22.259 2.031 1.00 36.32 C ATOM 21 N GLU A 14 -6.521 20.267 -3.024 1.00 37.00 N ATOM 22 CA GLU A 14 -6.864 19.770 -4.355 1.00 39.57 C ATOM 23 C GLU A 14 -5.813 18.775 -4.840 1.00 38.12 C ATOM 24 O GLU A 14 -6.152 17.725 -5.376 1.00 37.79 O ATOM 25 CB GLU A 14 -6.971 20.921 -5.358 1.00 41.54 C ATOM 26 CG GLU A 14 -8.106 21.905 -5.105 1.00 44.11 C ATOM 27 CD GLU A 14 -8.041 23.122 -6.024 1.00 47.09 C ATOM 28 OE1 GLU A 14 -6.920 23.580 -6.354 1.00 48.42 O ATOM 29 OE2 GLU A 14 -9.113 23.626 -6.417 1.00 48.60 O ATOM 30 N LYS A 15 -4.538 19.107 -4.640 1.00 38.77 N ATOM 31 CA LYS A 15 -3.449 18.233 -5.058 1.00 37.82 C ATOM 32 C LYS A 15 -3.489 16.932 -4.263 1.00 37.46 C ATOM 33 O LYS A 15 -3.238 15.861 -4.806 1.00 38.02 O ATOM 34 CB LYS A 15 -2.094 18.924 -4.892 1.00 39.49 C ATOM 35 CG LYS A 15 -0.963 18.260 -5.676 1.00 43.10 C ATOM 36 CD LYS A 15 -1.290 18.221 -7.168 1.00 46.10 C ATOM 37 CE LYS A 15 -0.371 17.282 -7.918 1.00 49.23 C ATOM 38 NZ LYS A 15 -0.821 17.051 -9.319 1.00 50.59 N ATOM 39 N ALA A 16 -3.829 17.033 -2.981 1.00 37.45 N ATOM 40 CA ALA A 16 -3.931 15.865 -2.115 1.00 37.13 C ATOM 41 C ALA A 16 -4.989 14.923 -2.677 1.00 37.80 C ATOM 42 O ALA A 16 -4.764 13.717 -2.778 1.00 38.68 O ATOM 43 CB ALA A 16 -4.302 16.294 -0.709 1.00 36.54 C ATOM 44 N LEU A 17 -6.132 15.485 -3.061 1.00 37.35 N ATOM 45 CA LEU A 17 -7.229 14.697 -3.626 1.00 39.04 C ATOM 46 C LEU A 17 -6.840 14.089 -4.971 1.00 38.74 C ATOM 47 O LEU A 17 -7.369 13.050 -5.358 1.00 39.14 O ATOM 48 CB LEU A 17 -8.485 15.555 -3.783 1.00 38.98 C ATOM 49 CG LEU A 17 -9.146 16.028 -2.489 1.00 40.18 C ATOM 50 CD1 LEU A 17 -10.219 17.045 -2.813 1.00 39.27 C ATOM 51 CD2 LEU A 17 -9.716 14.844 -1.729 1.00 39.03 C ATOM 52 N ASP A 18 -5.945 14.758 -5.693 1.00 40.99 N ATOM 53 CA ASP A 18 -5.465 14.253 -6.977 1.00 41.26 C ATOM 54 C ASP A 18 -4.656 12.987 -6.720 1.00 41.61 C ATOM 55 O ASP A 18 -4.901 11.952 -7.340 1.00 42.42 O ATOM 56 CB ASP A 18 -4.587 15.286 -7.691 1.00 42.65 C ATOM 57 CG ASP A 18 -5.383 16.450 -8.252 1.00 43.64 C ATOM 58 OD1 ASP A 18 -6.431 16.217 -8.890 1.00 45.08 O ATOM 59 OD2 ASP A 18 -4.955 17.603 -8.058 1.00 46.81 O ATOM 60 N PHE A 19 -3.707 13.072 -5.788 1.00 39.47 N ATOM 61 CA PHE A 19 -2.864 11.931 -5.429 1.00 39.00 C ATOM 62 C PHE A 19 -3.723 10.712 -5.115 1.00 38.19 C ATOM 63 O PHE A 19 -3.470 9.615 -5.610 1.00 38.78 O ATOM 64 CB PHE A 19 -2.012 12.244 -4.189 1.00 38.99 C ATOM 65 CG PHE A 19 -0.964 13.301 -4.402 1.00 39.13 C ATOM 66 CD1 PHE A 19 -0.301 13.852 -3.312 1.00 40.82 C ATOM 67 CD2 PHE A 19 -0.626 13.739 -5.678 1.00 40.23 C ATOM 68 CE1 PHE A 19 0.683 14.822 -3.487 1.00 41.15 C ATOM 69 CE2 PHE A 19 0.354 14.706 -5.865 1.00 41.44 C ATOM 70 CZ PHE A 19 1.009 15.250 -4.769 1.00 41.10 C ATOM 71 N ILE A 20 -4.736 10.912 -4.279 1.00 37.88 N ATOM 72 CA ILE A 20 -5.633 9.834 -3.886 1.00 37.17 C ATOM 73 C ILE A 20 -6.387 9.302 -5.103 1.00 37.97 C ATOM 74 O ILE A 20 -6.629 8.097 -5.220 1.00 36.06 O ATOM 75 CB ILE A 20 -6.638 10.322 -2.819 1.00 38.25 C ATOM 76 CG1 ILE A 20 -5.881 10.810 -1.578 1.00 39.17 C ATOM 77 CG2 ILE A 20 -7.605 9.202 -2.448 1.00 36.72 C ATOM 78 CD1 ILE A 20 -4.990 9.780 -0.829 1.00 36.32 C ATOM 79 N GLY A 21 -6.733 10.213 -6.009 1.00 39.98 N ATOM 80 CA GLY A 21 -7.451 9.846 -7.217 1.00 40.63 C ATOM 81 C GLY A 21 -6.608 9.031 -8.181 1.00 41.14 C ATOM 82 O GLY A 21 -7.144 8.335 -9.044 1.00 41.36 O ATOM 83 N GLY A 22 -5.286 9.136 -8.045 1.00 41.11 N ATOM 84 CA GLY A 22 -4.382 8.390 -8.902 1.00 39.30 C ATOM 85 C GLY A 22 -4.084 6.996 -8.373 1.00 39.26 C ATOM 86 O GLY A 22 -3.309 6.250 -8.974 1.00 38.14 O HETATM 87 N MSE A 23 -4.673 6.660 -7.227 1.00 36.90 N HETATM 88 CA MSE A 23 -4.484 5.353 -6.601 1.00 37.69 C HETATM 89 C MSE A 23 -5.493 4.367 -7.190 1.00 36.86 C HETATM 90 O MSE A 23 -6.224 4.707 -8.118 1.00 37.03 O HETATM 91 CB MSE A 23 -4.681 5.470 -5.087 1.00 39.89 C HETATM 92 CG MSE A 23 -3.785 6.511 -4.440 1.00 43.32 C HETATM 93 SE MSE A 23 -3.980 6.714 -2.513 1.00 47.42 HETATM 94 CE MSE A 23 -5.325 5.386 -2.160 1.00 48.71 C ATOM 95 N ASN A 24 -5.518 3.141 -6.685 1.00 37.60 N ATOM 96 CA ASN A 24 -6.472 2.167 -7.198 1.00 38.76 C ATOM 97 C ASN A 24 -7.825 2.413 -6.529 1.00 37.09 C ATOM 98 O ASN A 24 -8.271 1.652 -5.661 1.00 35.27 O ATOM 99 CB ASN A 24 -5.996 0.734 -6.957 1.00 39.82 C ATOM 100 CG ASN A 24 -6.642 -0.257 -7.913 1.00 44.94 C ATOM 101 OD1 ASN A 24 -6.168 -1.382 -8.069 1.00 46.66 O ATOM 102 ND2 ASN A 24 -7.718 0.169 -8.582 1.00 44.40 N ATOM 103 N THR A 25 -8.453 3.504 -6.949 1.00 38.63 N ATOM 104 CA THR A 25 -9.746 3.937 -6.439 1.00 40.26 C ATOM 105 C THR A 25 -10.856 2.911 -6.663 1.00 40.55 C ATOM 106 O THR A 25 -11.861 2.902 -5.950 1.00 40.06 O ATOM 107 CB THR A 25 -10.151 5.274 -7.089 1.00 41.74 C ATOM 108 OG1 THR A 25 -10.190 5.126 -8.515 1.00 41.18 O ATOM 109 CG2 THR A 25 -9.135 6.363 -6.741 1.00 41.29 C ATOM 110 N SER A 26 -10.651 2.023 -7.632 1.00 40.83 N ATOM 111 CA SER A 26 -11.634 0.996 -7.955 1.00 40.48 C ATOM 112 C SER A 26 -11.703 -0.126 -6.925 1.00 41.17 C ATOM 113 O SER A 26 -12.703 -0.829 -6.849 1.00 40.03 O ATOM 114 CB SER A 26 -11.353 0.413 -9.339 1.00 40.51 C ATOM 115 OG SER A 26 -11.390 1.430 -10.323 1.00 42.34 O ATOM 116 N ALA A 27 -10.643 -0.291 -6.137 1.00 41.00 N ATOM 117 CA ALA A 27 -10.612 -1.344 -5.127 1.00 44.61 C ATOM 118 C ALA A 27 -11.526 -1.051 -3.937 1.00 46.32 C ATOM 119 O ALA A 27 -11.581 0.080 -3.446 1.00 46.95 O ATOM 120 CB ALA A 27 -9.187 -1.579 -4.644 1.00 43.70 C ATOM 121 N SER A 28 -12.241 -2.077 -3.483 1.00 48.14 N ATOM 122 CA SER A 28 -13.141 -1.946 -2.342 1.00 49.25 C ATOM 123 C SER A 28 -12.318 -1.782 -1.073 1.00 49.30 C ATOM 124 O SER A 28 -12.681 -1.024 -0.171 1.00 49.26 O ATOM 125 CB SER A 28 -14.043 -3.175 -2.235 1.00 51.05 C ATOM 126 OG SER A 28 -14.881 -3.278 -3.370 1.00 50.97 O ATOM 127 N VAL A 29 -11.216 -2.520 -1.010 1.00 47.86 N ATOM 128 CA VAL A 29 -10.305 -2.454 0.121 1.00 48.07 C ATOM 129 C VAL A 29 -8.982 -1.956 -0.444 1.00 46.64 C ATOM 130 O VAL A 29 -8.352 -2.628 -1.264 1.00 46.51 O ATOM 131 CB VAL A 29 -10.112 -3.831 0.786 1.00 48.42 C ATOM 132 CG1 VAL A 29 -9.149 -3.719 1.960 1.00 49.70 C ATOM 133 CG2 VAL A 29 -11.452 -4.368 1.259 1.00 49.75 C ATOM 134 N PRO A 30 -8.577 -0.736 -0.056 1.00 45.00 N ATOM 135 CA PRO A 30 -7.327 -0.135 -0.528 1.00 44.16 C ATOM 136 C PRO A 30 -6.101 -1.020 -0.301 1.00 42.60 C ATOM 137 O PRO A 30 -6.005 -1.731 0.703 1.00 41.87 O ATOM 138 CB PRO A 30 -7.246 1.159 0.288 1.00 43.02 C ATOM 139 CG PRO A 30 -8.677 1.511 0.502 1.00 43.56 C ATOM 140 CD PRO A 30 -9.281 0.176 0.862 1.00 44.36 C ATOM 141 N HIS A 31 -5.202 -1.017 -1.278 1.00 43.32 N ATOM 142 CA HIS A 31 -3.964 -1.787 -1.193 1.00 44.82 C ATOM 143 C HIS A 31 -3.079 -1.145 -0.133 1.00 43.98 C ATOM 144 O HIS A 31 -3.174 0.060 0.100 1.00 44.15 O ATOM 145 CB HIS A 31 -3.235 -1.775 -2.538 1.00 47.30 C ATOM 146 CG HIS A 31 -3.962 -2.500 -3.627 1.00 48.82 C ATOM 147 ND1 HIS A 31 -3.816 -2.181 -4.959 1.00 50.23 N ATOM 148 CD2 HIS A 31 -4.846 -3.525 -3.580 1.00 50.68 C ATOM 149 CE1 HIS A 31 -4.579 -2.976 -5.686 1.00 50.76 C ATOM 150 NE2 HIS A 31 -5.214 -3.801 -4.874 1.00 50.32 N ATOM 151 N SER A 32 -2.216 -1.944 0.492 1.00 43.80 N ATOM 152 CA SER A 32 -1.320 -1.448 1.538 1.00 42.80 C ATOM 153 C SER A 32 -0.569 -0.154 1.210 1.00 41.25 C ATOM 154 O SER A 32 -0.522 0.749 2.043 1.00 40.31 O ATOM 155 CB SER A 32 -0.332 -2.534 1.969 1.00 45.12 C ATOM 156 OG SER A 32 -0.949 -3.474 2.834 1.00 46.48 O HETATM 157 N MSE A 33 0.020 -0.052 0.017 1.00 39.38 N HETATM 158 CA MSE A 33 0.750 1.169 -0.343 1.00 39.45 C HETATM 159 C MSE A 33 -0.179 2.361 -0.366 1.00 36.47 C HETATM 160 O MSE A 33 0.140 3.423 0.170 1.00 33.85 O HETATM 161 CB MSE A 33 1.433 1.053 -1.707 1.00 41.00 C HETATM 162 CG MSE A 33 2.729 0.299 -1.676 1.00 43.45 C HETATM 163 SE MSE A 33 3.753 0.532 -3.287 1.00 46.93 HETATM 164 CE MSE A 33 2.564 -0.382 -4.515 1.00 44.90 C ATOM 165 N ASP A 34 -1.330 2.163 -0.997 1.00 35.91 N ATOM 166 CA ASP A 34 -2.349 3.190 -1.122 1.00 34.61 C ATOM 167 C ASP A 34 -2.841 3.629 0.258 1.00 32.86 C ATOM 168 O ASP A 34 -3.025 4.815 0.494 1.00 32.04 O ATOM 169 CB ASP A 34 -3.521 2.667 -1.964 1.00 37.64 C ATOM 170 CG ASP A 34 -3.165 2.480 -3.445 1.00 41.02 C ATOM 171 OD1 ASP A 34 -2.260 3.175 -3.959 1.00 41.23 O ATOM 172 OD2 ASP A 34 -3.825 1.649 -4.110 1.00 41.84 O ATOM 173 N GLU A 35 -3.045 2.672 1.163 1.00 30.96 N ATOM 174 CA GLU A 35 -3.501 2.992 2.511 1.00 32.06 C ATOM 175 C GLU A 35 -2.453 3.840 3.231 1.00 31.99 C ATOM 176 O GLU A 35 -2.748 4.939 3.706 1.00 29.15 O ATOM 177 CB GLU A 35 -3.776 1.723 3.319 1.00 33.05 C ATOM 178 CG GLU A 35 -4.176 2.006 4.766 1.00 35.20 C ATOM 179 CD GLU A 35 -4.510 0.760 5.574 1.00 37.33 C ATOM 180 OE1 GLU A 35 -4.978 -0.239 4.990 1.00 37.49 O ATOM 181 OE2 GLU A 35 -4.323 0.787 6.812 1.00 38.29 O ATOM 182 N SER A 36 -1.223 3.336 3.272 1.00 31.52 N ATOM 183 CA SER A 36 -0.118 4.041 3.929 1.00 29.68 C ATOM 184 C SER A 36 0.100 5.438 3.356 1.00 28.12 C ATOM 185 O SER A 36 0.343 6.387 4.097 1.00 26.91 O ATOM 186 CB SER A 36 1.174 3.217 3.834 1.00 30.45 C ATOM 187 OG SER A 36 1.159 2.138 4.761 1.00 32.35 O ATOM 188 N THR A 37 -0.037 5.563 2.041 1.00 26.88 N ATOM 189 CA THR A 37 0.148 6.831 1.351 1.00 26.75 C ATOM 190 C THR A 37 -1.022 7.790 1.588 1.00 27.07 C ATOM 191 O THR A 37 -0.812 8.986 1.802 1.00 26.31 O ATOM 192 CB THR A 37 0.352 6.605 -0.161 1.00 28.31 C ATOM 193 OG1 THR A 37 1.569 5.880 -0.368 1.00 30.05 O ATOM 194 CG2 THR A 37 0.433 7.907 -0.898 1.00 27.62 C ATOM 195 N ALA A 38 -2.246 7.260 1.575 1.00 24.94 N ATOM 196 CA ALA A 38 -3.439 8.076 1.791 1.00 25.33 C ATOM 197 C ALA A 38 -3.418 8.612 3.222 1.00 22.62 C ATOM 198 O ALA A 38 -3.645 9.787 3.445 1.00 24.02 O ATOM 199 CB ALA A 38 -4.705 7.255 1.541 1.00 24.93 C ATOM 200 N LYS A 39 -3.122 7.743 4.181 1.00 23.29 N ATOM 201 CA LYS A 39 -3.049 8.134 5.581 1.00 23.36 C ATOM 202 C LYS A 39 -1.942 9.169 5.789 1.00 24.67 C ATOM 203 O LYS A 39 -2.094 10.126 6.561 1.00 21.55 O ATOM 204 CB LYS A 39 -2.775 6.917 6.460 1.00 23.45 C ATOM 205 CG LYS A 39 -3.929 5.932 6.563 1.00 25.56 C ATOM 206 CD LYS A 39 -3.557 4.823 7.540 1.00 24.73 C ATOM 207 CE LYS A 39 -4.738 3.926 7.873 1.00 28.33 C ATOM 208 NZ LYS A 39 -4.324 2.880 8.845 1.00 26.37 N ATOM 209 N GLY A 40 -0.825 8.970 5.093 1.00 22.71 N ATOM 210 CA GLY A 40 0.288 9.893 5.199 1.00 22.44 C ATOM 211 C GLY A 40 -0.114 11.274 4.734 1.00 22.02 C ATOM 212 O GLY A 40 0.148 12.267 5.410 1.00 22.71 O ATOM 213 N ILE A 41 -0.780 11.332 3.585 1.00 21.48 N ATOM 214 CA ILE A 41 -1.239 12.591 3.019 1.00 22.36 C ATOM 215 C ILE A 41 -2.170 13.323 3.992 1.00 22.31 C ATOM 216 O ILE A 41 -2.002 14.513 4.235 1.00 24.70 O ATOM 217 CB ILE A 41 -1.998 12.358 1.699 1.00 24.22 C ATOM 218 CG1 ILE A 41 -1.053 11.784 0.636 1.00 26.27 C ATOM 219 CG2 ILE A 41 -2.638 13.655 1.210 1.00 24.26 C ATOM 220 CD1 ILE A 41 -1.746 11.180 -0.584 1.00 36.32 C ATOM 221 N LEU A 42 -3.134 12.596 4.543 1.00 20.92 N ATOM 222 CA LEU A 42 -4.111 13.166 5.476 1.00 21.41 C ATOM 223 C LEU A 42 -3.474 13.680 6.765 1.00 21.83 C ATOM 224 O LEU A 42 -3.758 14.796 7.201 1.00 22.15 O ATOM 225 CB LEU A 42 -5.172 12.132 5.822 1.00 19.01 C ATOM 226 CG LEU A 42 -6.022 11.571 4.683 1.00 21.41 C ATOM 227 CD1 LEU A 42 -6.914 10.498 5.248 1.00 21.11 C ATOM 228 CD2 LEU A 42 -6.841 12.675 4.013 1.00 20.22 C ATOM 229 N LYS A 43 -2.626 12.858 7.376 1.00 21.47 N ATOM 230 CA LYS A 43 -1.941 13.248 8.603 1.00 20.36 C ATOM 231 C LYS A 43 -1.030 14.440 8.360 1.00 21.49 C ATOM 232 O LYS A 43 -0.964 15.354 9.187 1.00 20.95 O ATOM 233 CB LYS A 43 -1.103 12.089 9.158 1.00 20.23 C ATOM 234 CG LYS A 43 -0.233 12.474 10.372 1.00 17.21 C ATOM 235 CD LYS A 43 0.679 11.336 10.805 1.00 20.18 C ATOM 236 CE LYS A 43 1.292 11.580 12.187 1.00 23.57 C ATOM 237 NZ LYS A 43 2.146 12.806 12.262 1.00 29.99 N ATOM 238 N TYR A 44 -0.307 14.420 7.244 1.00 21.76 N ATOM 239 CA TYR A 44 0.624 15.505 6.948 1.00 21.45 C ATOM 240 C TYR A 44 -0.054 16.861 6.806 1.00 22.76 C ATOM 241 O TYR A 44 0.402 17.837 7.392 1.00 24.23 O ATOM 242 CB TYR A 44 1.460 15.220 5.695 1.00 20.63 C ATOM 243 CG TYR A 44 2.533 16.271 5.452 1.00 18.30 C ATOM 244 CD1 TYR A 44 3.595 16.426 6.338 1.00 22.70 C ATOM 245 CD2 TYR A 44 2.462 17.133 4.363 1.00 21.07 C ATOM 246 CE1 TYR A 44 4.560 17.424 6.155 1.00 21.21 C ATOM 247 CE2 TYR A 44 3.422 18.126 4.165 1.00 23.34 C ATOM 248 CZ TYR A 44 4.464 18.270 5.070 1.00 22.84 C ATOM 249 OH TYR A 44 5.393 19.274 4.903 1.00 25.31 O ATOM 250 N LEU A 45 -1.124 16.909 6.023 1.00 21.75 N ATOM 251 CA LEU A 45 -1.857 18.151 5.799 1.00 24.74 C ATOM 252 C LEU A 45 -2.534 18.653 7.067 1.00 23.82 C ATOM 253 O LEU A 45 -2.585 19.859 7.321 1.00 26.16 O ATOM 254 CB LEU A 45 -2.871 17.982 4.671 1.00 24.35 C ATOM 255 CG LEU A 45 -2.246 17.980 3.274 1.00 26.95 C ATOM 256 CD1 LEU A 45 -3.350 18.096 2.234 1.00 26.16 C ATOM 257 CD2 LEU A 45 -1.258 19.137 3.116 1.00 29.54 C ATOM 258 N HIS A 46 -3.026 17.723 7.875 1.00 23.26 N ATOM 259 CA HIS A 46 -3.650 18.085 9.137 1.00 25.76 C ATOM 260 C HIS A 46 -2.585 18.726 10.037 1.00 25.36 C ATOM 261 O HIS A 46 -2.844 19.753 10.651 1.00 24.06 O ATOM 262 CB HIS A 46 -4.256 16.861 9.822 1.00 24.12 C ATOM 263 CG HIS A 46 -5.107 17.200 11.004 1.00 24.74 C ATOM 264 ND1 HIS A 46 -4.584 17.440 12.257 1.00 24.36 N ATOM 265 CD2 HIS A 46 -6.445 17.371 11.118 1.00 26.26 C ATOM 266 CE1 HIS A 46 -5.562 17.742 13.091 1.00 23.92 C ATOM 267 NE2 HIS A 46 -6.701 17.708 12.425 1.00 27.17 N ATOM 268 N ASP A 47 -1.371 18.163 10.047 1.00 26.32 N ATOM 269 CA ASP A 47 -0.272 18.707 10.865 1.00 26.67 C ATOM 270 C ASP A 47 0.142 20.087 10.355 1.00 27.32 C ATOM 271 O ASP A 47 0.633 20.914 11.114 1.00 27.21 O ATOM 272 CB ASP A 47 0.968 17.801 10.835 1.00 31.96 C ATOM 273 CG ASP A 47 0.745 16.436 11.481 1.00 33.22 C ATOM 274 OD1 ASP A 47 -0.176 16.280 12.308 1.00 34.91 O ATOM 275 OD2 ASP A 47 1.521 15.512 11.148 1.00 35.80 O ATOM 276 N LEU A 48 -0.037 20.324 9.061 1.00 28.13 N ATOM 277 CA LEU A 48 0.324 21.608 8.475 1.00 28.93 C ATOM 278 C LEU A 48 -0.743 22.679 8.671 1.00 29.26 C ATOM 279 O LEU A 48 -0.567 23.820 8.243 1.00 27.57 O ATOM 280 CB LEU A 48 0.635 21.462 6.985 1.00 31.14 C ATOM 281 CG LEU A 48 2.019 20.948 6.594 1.00 33.66 C ATOM 282 CD1 LEU A 48 2.228 21.201 5.105 1.00 34.20 C ATOM 283 CD2 LEU A 48 3.095 21.664 7.398 1.00 35.24 C ATOM 284 N GLY A 49 -1.843 22.312 9.316 1.00 29.25 N ATOM 285 CA GLY A 49 -2.907 23.269 9.554 1.00 30.44 C ATOM 286 C GLY A 49 -3.905 23.365 8.429 1.00 32.05 C ATOM 287 O GLY A 49 -4.715 24.290 8.393 1.00 31.09 O ATOM 288 N VAL A 50 -3.844 22.413 7.504 1.00 32.65 N ATOM 289 CA VAL A 50 -4.766 22.392 6.375 1.00 34.49 C ATOM 290 C VAL A 50 -5.412 21.008 6.323 1.00 35.69 C ATOM 291 O VAL A 50 -5.059 20.165 5.496 1.00 37.87 O ATOM 292 CB VAL A 50 -4.035 22.687 5.049 1.00 34.67 C ATOM 293 CG1 VAL A 50 -5.034 22.803 3.924 1.00 37.04 C ATOM 294 CG2 VAL A 50 -3.221 23.968 5.165 1.00 35.39 C ATOM 295 N PRO A 51 -6.375 20.759 7.214 1.00 35.08 N ATOM 296 CA PRO A 51 -7.056 19.467 7.259 1.00 34.76 C ATOM 297 C PRO A 51 -7.905 19.154 6.032 1.00 34.99 C ATOM 298 O PRO A 51 -8.424 20.050 5.361 1.00 33.90 O ATOM 299 CB PRO A 51 -7.910 19.587 8.516 1.00 35.75 C ATOM 300 CG PRO A 51 -8.271 21.036 8.540 1.00 36.97 C ATOM 301 CD PRO A 51 -6.940 21.685 8.214 1.00 36.34 C ATOM 302 N VAL A 52 -7.973 17.872 5.708 1.00 34.75 N ATOM 303 CA VAL A 52 -8.768 17.404 4.586 1.00 34.80 C ATOM 304 C VAL A 52 -9.965 16.732 5.247 1.00 34.72 C ATOM 305 O VAL A 52 -9.848 15.646 5.815 1.00 34.77 O ATOM 306 CB VAL A 52 -7.967 16.405 3.714 1.00 35.16 C ATOM 307 CG1 VAL A 52 -8.800 15.964 2.503 1.00 36.11 C ATOM 308 CG2 VAL A 52 -6.673 17.058 3.252 1.00 31.63 C ATOM 309 N SER A 53 -11.089 17.440 5.262 1.00 35.56 N ATOM 310 CA SER A 53 -12.307 16.931 5.883 1.00 35.43 C ATOM 311 C SER A 53 -12.848 15.698 5.173 1.00 36.12 C ATOM 312 O SER A 53 -12.639 15.521 3.977 1.00 33.71 O ATOM 313 CB SER A 53 -13.385 18.019 5.890 1.00 35.20 C ATOM 314 OG SER A 53 -13.830 18.302 4.572 1.00 35.15 O ATOM 315 N PRO A 54 -13.542 14.819 5.912 1.00 35.81 N ATOM 316 CA PRO A 54 -14.101 13.614 5.298 1.00 39.07 C ATOM 317 C PRO A 54 -15.113 13.959 4.195 1.00 40.99 C ATOM 318 O PRO A 54 -15.255 13.213 3.228 1.00 40.43 O ATOM 319 CB PRO A 54 -14.766 12.912 6.481 1.00 38.21 C ATOM 320 CG PRO A 54 -13.879 13.279 7.618 1.00 37.16 C ATOM 321 CD PRO A 54 -13.660 14.760 7.377 1.00 36.69 C ATOM 322 N GLU A 55 -15.784 15.104 4.323 1.00 42.03 N ATOM 323 CA GLU A 55 -16.773 15.515 3.328 1.00 43.19 C ATOM 324 C GLU A 55 -16.143 15.930 2.004 1.00 42.69 C ATOM 325 O GLU A 55 -16.714 15.679 0.942 1.00 41.32 O ATOM 326 CB GLU A 55 -17.710 16.622 3.857 1.00 44.29 C ATOM 327 CG GLU A 55 -17.195 17.445 5.038 1.00 48.12 C ATOM 328 CD GLU A 55 -17.346 16.744 6.384 1.00 48.41 C ATOM 329 OE1 GLU A 55 -18.112 15.758 6.489 1.00 50.33 O ATOM 330 OE2 GLU A 55 -16.704 17.197 7.352 1.00 50.54 O ATOM 331 N VAL A 56 -14.977 16.570 2.063 1.00 41.06 N ATOM 332 CA VAL A 56 -14.284 16.977 0.846 1.00 43.03 C ATOM 333 C VAL A 56 -13.798 15.706 0.142 1.00 44.02 C ATOM 334 O VAL A 56 -13.658 15.671 -1.084 1.00 43.73 O ATOM 335 CB VAL A 56 -13.107 17.940 1.158 1.00 43.71 C ATOM 336 CG1 VAL A 56 -12.145 18.020 -0.006 1.00 44.07 C ATOM 337 CG2 VAL A 56 -13.651 19.335 1.457 1.00 43.16 C ATOM 338 N VAL A 57 -13.598 14.655 0.934 1.00 44.95 N ATOM 339 CA VAL A 57 -13.164 13.356 0.428 1.00 45.92 C ATOM 340 C VAL A 57 -14.337 12.661 -0.259 1.00 46.97 C ATOM 341 O VAL A 57 -14.214 12.210 -1.396 1.00 47.98 O ATOM 342 CB VAL A 57 -12.648 12.449 1.568 1.00 45.01 C ATOM 343 CG1 VAL A 57 -12.346 11.048 1.037 1.00 44.23 C ATOM 344 CG2 VAL A 57 -11.398 13.052 2.198 1.00 45.17 C ATOM 345 N VAL A 58 -15.471 12.581 0.435 1.00 47.54 N ATOM 346 CA VAL A 58 -16.667 11.940 -0.112 1.00 48.27 C ATOM 347 C VAL A 58 -17.144 12.641 -1.375 1.00 48.50 C ATOM 348 O VAL A 58 -17.511 11.987 -2.351 1.00 49.44 O ATOM 349 CB VAL A 58 -17.824 11.902 0.909 1.00 48.27 C ATOM 350 CG1 VAL A 58 -19.066 11.287 0.274 1.00 48.30 C ATOM 351 CG2 VAL A 58 -17.422 11.101 2.137 1.00 48.09 C ATOM 352 N ALA A 59 -17.120 13.971 -1.354 1.00 49.46 N ATOM 353 CA ALA A 59 -17.543 14.766 -2.502 1.00 50.68 C ATOM 354 C ALA A 59 -16.710 14.374 -3.717 1.00 51.37 C ATOM 355 O ALA A 59 -17.244 14.124 -4.798 1.00 52.55 O ATOM 356 CB ALA A 59 -17.375 16.250 -2.206 1.00 51.49 C ATOM 357 N ARG A 60 -15.400 14.286 -3.508 1.00 50.74 N ATOM 358 CA ARG A 60 -14.463 13.910 -4.552 1.00 49.87 C ATOM 359 C ARG A 60 -14.719 12.481 -5.025 1.00 49.99 C ATOM 360 O ARG A 60 -14.701 12.205 -6.225 1.00 48.60 O ATOM 361 CB ARG A 60 -13.036 14.029 -4.024 1.00 49.36 C ATOM 362 CG ARG A 60 -11.962 13.782 -5.067 1.00 50.30 C ATOM 363 CD ARG A 60 -12.127 14.708 -6.243 1.00 47.99 C ATOM 364 NE ARG A 60 -10.884 14.824 -6.988 1.00 52.13 N ATOM 365 CZ ARG A 60 -10.110 15.903 -6.977 1.00 50.79 C ATOM 366 NH1 ARG A 60 -10.454 16.965 -6.262 1.00 50.36 N ATOM 367 NH2 ARG A 60 -8.982 15.914 -7.668 1.00 52.75 N ATOM 368 N GLY A 61 -14.954 11.585 -4.069 1.00 51.27 N ATOM 369 CA GLY A 61 -15.215 10.192 -4.386 1.00 54.05 C ATOM 370 C GLY A 61 -16.443 10.000 -5.256 1.00 56.29 C ATOM 371 O GLY A 61 -16.442 9.162 -6.159 1.00 56.47 O ATOM 372 N GLU A 62 -17.495 10.769 -4.978 1.00 57.34 N ATOM 373 CA GLU A 62 -18.734 10.692 -5.748 1.00 58.96 C ATOM 374 C GLU A 62 -18.529 11.261 -7.149 1.00 58.62 C ATOM 375 O GLU A 62 -18.959 10.665 -8.137 1.00 59.38 O ATOM 376 CB GLU A 62 -19.859 11.456 -5.037 1.00 60.64 C ATOM 377 CG GLU A 62 -20.316 10.832 -3.717 1.00 62.99 C ATOM 378 CD GLU A 62 -21.426 11.623 -3.032 1.00 64.39 C ATOM 379 OE1 GLU A 62 -21.247 12.841 -2.804 1.00 64.38 O ATOM 380 OE2 GLU A 62 -22.475 11.023 -2.710 1.00 64.23 O ATOM 381 N GLN A 63 -17.844 12.400 -7.226 1.00 58.78 N ATOM 382 CA GLN A 63 -17.577 13.067 -8.495 1.00 59.11 C ATOM 383 C GLN A 63 -16.856 12.168 -9.493 1.00 59.22 C ATOM 384 O GLN A 63 -17.386 11.871 -10.565 1.00 59.26 O ATOM 385 CB GLN A 63 -16.753 14.335 -8.272 1.00 59.85 C ATOM 386 CG GLN A 63 -16.463 15.096 -9.558 1.00 61.89 C ATOM 387 CD GLN A 63 -15.354 16.120 -9.412 1.00 62.43 C ATOM 388 OE1 GLN A 63 -15.020 16.545 -8.304 1.00 64.08 O ATOM 389 NE2 GLN A 63 -14.774 16.522 -10.538 1.00 62.54 N ATOM 390 N GLU A 64 -15.645 11.741 -9.139 1.00 58.31 N ATOM 391 CA GLU A 64 -14.842 10.886 -10.012 1.00 57.28 C ATOM 392 C GLU A 64 -15.345 9.445 -10.068 1.00 56.20 C ATOM 393 O GLU A 64 -14.836 8.627 -10.835 1.00 55.85 O ATOM 394 CB GLU A 64 -13.372 10.926 -9.589 1.00 58.03 C ATOM 395 CG GLU A 64 -12.745 12.310 -9.712 1.00 61.01 C ATOM 396 CD GLU A 64 -11.243 12.319 -9.471 1.00 62.65 C ATOM 397 OE1 GLU A 64 -10.750 11.491 -8.676 1.00 63.61 O ATOM 398 OE2 GLU A 64 -10.554 13.167 -10.079 1.00 64.55 O ATOM 399 N GLY A 65 -16.351 9.145 -9.250 1.00 54.82 N ATOM 400 CA GLY A 65 -16.932 7.815 -9.228 1.00 53.17 C ATOM 401 C GLY A 65 -16.036 6.693 -8.742 1.00 52.07 C ATOM 402 O GLY A 65 -15.986 5.626 -9.357 1.00 52.17 O ATOM 403 N TRP A 66 -15.326 6.924 -7.642 1.00 50.50 N ATOM 404 CA TRP A 66 -14.456 5.900 -7.073 1.00 48.91 C ATOM 405 C TRP A 66 -15.349 4.797 -6.524 1.00 48.61 C ATOM 406 O TRP A 66 -16.565 4.964 -6.425 1.00 47.91 O ATOM 407 CB TRP A 66 -13.648 6.455 -5.889 1.00 48.18 C ATOM 408 CG TRP A 66 -12.744 7.611 -6.182 1.00 47.28 C ATOM 409 CD1 TRP A 66 -12.369 8.077 -7.406 1.00 46.57 C ATOM 410 CD2 TRP A 66 -12.095 8.450 -5.214 1.00 47.56 C ATOM 411 NE1 TRP A 66 -11.528 9.154 -7.266 1.00 46.96 N ATOM 412 CE2 TRP A 66 -11.343 9.406 -5.932 1.00 47.45 C ATOM 413 CE3 TRP A 66 -12.079 8.486 -3.812 1.00 46.05 C ATOM 414 CZ2 TRP A 66 -10.581 10.392 -5.294 1.00 45.60 C ATOM 415 CZ3 TRP A 66 -11.324 9.465 -3.177 1.00 45.81 C ATOM 416 CH2 TRP A 66 -10.583 10.407 -3.921 1.00 46.91 C ATOM 417 N ASN A 67 -14.741 3.670 -6.168 1.00 48.12 N ATOM 418 CA ASN A 67 -15.480 2.572 -5.562 1.00 49.19 C ATOM 419 C ASN A 67 -15.940 3.193 -4.245 1.00 50.74 C ATOM 420 O ASN A 67 -15.114 3.622 -3.440 1.00 51.34 O ATOM 421 CB ASN A 67 -14.532 1.403 -5.289 1.00 47.74 C ATOM 422 CG ASN A 67 -15.208 0.228 -4.594 1.00 47.77 C ATOM 423 OD1 ASN A 67 -14.825 -0.921 -4.800 1.00 47.48 O ATOM 424 ND2 ASN A 67 -16.188 0.510 -3.745 1.00 46.74 N ATOM 425 N PRO A 68 -17.263 3.306 -4.036 1.00 51.13 N ATOM 426 CA PRO A 68 -17.808 3.893 -2.804 1.00 50.98 C ATOM 427 C PRO A 68 -17.228 3.315 -1.512 1.00 50.87 C ATOM 428 O PRO A 68 -17.105 4.022 -0.511 1.00 50.67 O ATOM 429 CB PRO A 68 -19.318 3.636 -2.936 1.00 51.72 C ATOM 430 CG PRO A 68 -19.407 2.492 -3.935 1.00 51.49 C ATOM 431 CD PRO A 68 -18.348 2.853 -4.921 1.00 50.80 C ATOM 432 N GLU A 69 -16.841 2.042 -1.550 1.00 49.57 N ATOM 433 CA GLU A 69 -16.257 1.367 -0.391 1.00 49.79 C ATOM 434 C GLU A 69 -14.845 1.919 -0.138 1.00 48.96 C ATOM 435 O GLU A 69 -14.380 1.986 1.003 1.00 48.22 O ATOM 436 CB GLU A 69 -16.199 -0.144 -0.651 1.00 51.61 C ATOM 437 CG GLU A 69 -15.969 -1.014 0.582 1.00 54.31 C ATOM 438 CD GLU A 69 -17.179 -1.090 1.515 1.00 56.98 C ATOM 439 OE1 GLU A 69 -18.286 -0.655 1.123 1.00 57.46 O ATOM 440 OE2 GLU A 69 -17.016 -1.601 2.645 1.00 56.95 O ATOM 441 N PHE A 70 -14.178 2.316 -1.219 1.00 47.43 N ATOM 442 CA PHE A 70 -12.834 2.886 -1.157 1.00 46.29 C ATOM 443 C PHE A 70 -12.930 4.268 -0.526 1.00 46.95 C ATOM 444 O PHE A 70 -12.157 4.607 0.370 1.00 47.30 O ATOM 445 CB PHE A 70 -12.247 3.001 -2.568 1.00 44.13 C ATOM 446 CG PHE A 70 -10.932 3.727 -2.631 1.00 40.84 C ATOM 447 CD1 PHE A 70 -9.737 3.046 -2.434 1.00 40.42 C ATOM 448 CD2 PHE A 70 -10.890 5.089 -2.920 1.00 39.94 C ATOM 449 CE1 PHE A 70 -8.519 3.708 -2.528 1.00 38.53 C ATOM 450 CE2 PHE A 70 -9.681 5.762 -3.016 1.00 39.44 C ATOM 451 CZ PHE A 70 -8.491 5.072 -2.820 1.00 37.92 C ATOM 452 N THR A 71 -13.890 5.054 -1.008 1.00 46.48 N ATOM 453 CA THR A 71 -14.135 6.408 -0.518 1.00 44.95 C ATOM 454 C THR A 71 -14.436 6.364 0.976 1.00 44.97 C ATOM 455 O THR A 71 -13.930 7.187 1.742 1.00 44.32 O ATOM 456 CB THR A 71 -15.323 7.044 -1.265 1.00 44.26 C ATOM 457 OG1 THR A 71 -15.078 6.984 -2.676 1.00 42.49 O ATOM 458 CG2 THR A 71 -15.505 8.496 -0.851 1.00 43.24 C ATOM 459 N LYS A 72 -15.234 5.378 1.377 1.00 43.80 N ATOM 460 CA LYS A 72 -15.612 5.174 2.774 1.00 43.38 C ATOM 461 C LYS A 72 -14.368 4.989 3.644 1.00 42.32 C ATOM 462 O LYS A 72 -14.292 5.501 4.762 1.00 41.17 O ATOM 463 CB LYS A 72 -16.509 3.939 2.885 1.00 45.55 C ATOM 464 CG LYS A 72 -16.854 3.517 4.300 1.00 47.71 C ATOM 465 CD LYS A 72 -17.570 2.170 4.303 1.00 50.30 C ATOM 466 CE LYS A 72 -17.888 1.710 5.722 1.00 51.12 C ATOM 467 NZ LYS A 72 -18.421 0.318 5.750 1.00 53.37 N ATOM 468 N LYS A 73 -13.399 4.242 3.124 1.00 40.99 N ATOM 469 CA LYS A 73 -12.159 3.986 3.841 1.00 38.01 C ATOM 470 C LYS A 73 -11.298 5.237 3.968 1.00 35.59 C ATOM 471 O LYS A 73 -10.851 5.571 5.060 1.00 35.98 O ATOM 472 CB LYS A 73 -11.377 2.861 3.166 1.00 39.28 C ATOM 473 CG LYS A 73 -11.750 1.483 3.670 1.00 41.73 C ATOM 474 CD LYS A 73 -11.421 1.372 5.143 1.00 43.59 C ATOM 475 CE LYS A 73 -11.552 -0.049 5.646 1.00 45.07 C ATOM 476 NZ LYS A 73 -11.187 -0.120 7.090 1.00 46.32 N ATOM 477 N VAL A 74 -11.106 5.951 2.866 1.00 32.92 N ATOM 478 CA VAL A 74 -10.300 7.165 2.894 1.00 32.34 C ATOM 479 C VAL A 74 -10.968 8.226 3.779 1.00 32.45 C ATOM 480 O VAL A 74 -10.295 8.948 4.513 1.00 29.78 O ATOM 481 CB VAL A 74 -10.047 7.703 1.469 1.00 30.87 C ATOM 482 CG1 VAL A 74 -9.240 8.998 1.520 1.00 26.26 C ATOM 483 CG2 VAL A 74 -9.296 6.651 0.644 1.00 31.61 C ATOM 484 N ALA A 75 -12.299 8.280 3.737 1.00 33.52 N ATOM 485 CA ALA A 75 -13.066 9.234 4.544 1.00 32.41 C ATOM 486 C ALA A 75 -12.978 8.880 6.031 1.00 33.27 C ATOM 487 O ALA A 75 -12.950 9.766 6.890 1.00 34.52 O ATOM 488 CB ALA A 75 -14.515 9.256 4.092 1.00 31.02 C ATOM 489 N GLY A 76 -12.948 7.581 6.319 1.00 30.72 N ATOM 490 CA GLY A 76 -12.848 7.104 7.685 1.00 32.09 C ATOM 491 C GLY A 76 -11.482 7.384 8.280 1.00 32.78 C ATOM 492 O GLY A 76 -11.341 7.529 9.493 1.00 30.45 O ATOM 493 N TRP A 77 -10.461 7.428 7.426 1.00 30.70 N ATOM 494 CA TRP A 77 -9.112 7.711 7.891 1.00 29.33 C ATOM 495 C TRP A 77 -8.992 9.203 8.165 1.00 29.09 C ATOM 496 O TRP A 77 -8.333 9.623 9.130 1.00 27.32 O ATOM 497 CB TRP A 77 -8.077 7.292 6.841 1.00 27.32 C ATOM 498 CG TRP A 77 -7.980 5.821 6.652 1.00 27.96 C ATOM 499 CD1 TRP A 77 -8.172 4.855 7.596 1.00 27.09 C ATOM 500 CD2 TRP A 77 -7.666 5.138 5.434 1.00 28.74 C ATOM 501 NE1 TRP A 77 -8.001 3.615 7.041 1.00 28.77 N ATOM 502 CE2 TRP A 77 -7.694 3.758 5.712 1.00 28.24 C ATOM 503 CE3 TRP A 77 -7.360 5.562 4.132 1.00 27.09 C ATOM 504 CZ2 TRP A 77 -7.433 2.792 4.735 1.00 27.16 C ATOM 505 CZ3 TRP A 77 -7.096 4.601 3.161 1.00 28.81 C ATOM 506 CH2 TRP A 77 -7.137 3.232 3.471 1.00 26.29 C ATOM 507 N ALA A 78 -9.620 9.999 7.304 1.00 26.98 N ATOM 508 CA ALA A 78 -9.601 11.445 7.448 1.00 26.91 C ATOM 509 C ALA A 78 -10.353 11.828 8.723 1.00 28.53 C ATOM 510 O ALA A 78 -10.066 12.855 9.329 1.00 26.54 O ATOM 511 CB ALA A 78 -10.230 12.110 6.237 1.00 26.96 C ATOM 512 N GLU A 79 -11.305 10.987 9.115 1.00 29.42 N ATOM 513 CA GLU A 79 -12.088 11.213 10.323 1.00 32.23 C ATOM 514 C GLU A 79 -11.217 10.952 11.553 1.00 31.02 C ATOM 515 O GLU A 79 -11.237 11.724 12.509 1.00 27.96 O ATOM 516 CB GLU A 79 -13.320 10.302 10.343 1.00 36.70 C ATOM 517 CG GLU A 79 -14.202 10.481 11.584 1.00 41.48 C ATOM 518 CD GLU A 79 -15.481 9.661 11.547 1.00 45.19 C ATOM 519 OE1 GLU A 79 -16.126 9.591 10.476 1.00 47.26 O ATOM 520 OE2 GLU A 79 -15.855 9.107 12.604 1.00 46.33 O ATOM 521 N LYS A 80 -10.430 9.878 11.509 1.00 29.84 N ATOM 522 CA LYS A 80 -9.549 9.548 12.621 1.00 29.40 C ATOM 523 C LYS A 80 -8.511 10.646 12.794 1.00 27.26 C ATOM 524 O LYS A 80 -8.183 11.035 13.914 1.00 27.60 O ATOM 525 CB LYS A 80 -8.857 8.195 12.402 1.00 32.69 C ATOM 526 CG LYS A 80 -9.765 6.992 12.619 1.00 39.50 C ATOM 527 CD LYS A 80 -8.976 5.685 12.538 1.00 43.67 C ATOM 528 CE LYS A 80 -9.881 4.465 12.684 1.00 46.63 C ATOM 529 NZ LYS A 80 -9.127 3.177 12.585 1.00 48.53 N ATOM 530 N VAL A 81 -8.007 11.154 11.679 1.00 23.18 N ATOM 531 CA VAL A 81 -7.020 12.221 11.715 1.00 25.67 C ATOM 532 C VAL A 81 -7.671 13.494 12.290 1.00 23.16 C ATOM 533 O VAL A 81 -7.150 14.106 13.223 1.00 24.06 O ATOM 534 CB VAL A 81 -6.478 12.504 10.307 1.00 24.46 C ATOM 535 CG1 VAL A 81 -5.542 13.683 10.340 1.00 26.10 C ATOM 536 CG2 VAL A 81 -5.765 11.279 9.769 1.00 28.86 C ATOM 537 N ALA A 82 -8.862 13.814 11.793 1.00 22.48 N ATOM 538 CA ALA A 82 -9.598 14.996 12.236 1.00 21.05 C ATOM 539 C ALA A 82 -10.080 14.914 13.700 1.00 20.16 C ATOM 540 O ALA A 82 -10.378 15.936 14.314 1.00 19.36 O ATOM 541 CB ALA A 82 -10.774 15.235 11.308 1.00 18.74 C ATOM 542 N SER A 83 -10.150 13.706 14.250 1.00 20.11 N ATOM 543 CA SER A 83 -10.600 13.509 15.634 1.00 20.67 C ATOM 544 C SER A 83 -9.568 14.033 16.620 1.00 21.79 C ATOM 545 O SER A 83 -9.882 14.299 17.777 1.00 21.06 O ATOM 546 CB SER A 83 -10.834 12.017 15.923 1.00 23.38 C ATOM 547 OG SER A 83 -9.594 11.325 16.052 1.00 25.59 O ATOM 548 N GLY A 84 -8.324 14.141 16.160 1.00 22.74 N ATOM 549 CA GLY A 84 -7.246 14.595 17.015 1.00 21.41 C ATOM 550 C GLY A 84 -6.478 13.426 17.622 1.00 23.17 C ATOM 551 O GLY A 84 -5.458 13.616 18.289 1.00 22.97 O ATOM 552 N ASN A 85 -6.959 12.209 17.399 1.00 20.58 N ATOM 553 CA ASN A 85 -6.286 11.025 17.928 1.00 21.01 C ATOM 554 C ASN A 85 -5.145 10.595 17.004 1.00 22.63 C ATOM 555 O ASN A 85 -5.029 11.078 15.879 1.00 21.12 O ATOM 556 CB ASN A 85 -7.277 9.865 18.075 1.00 20.53 C ATOM 557 CG ASN A 85 -8.417 10.193 19.023 1.00 21.13 C ATOM 558 OD1 ASN A 85 -8.207 10.787 20.082 1.00 21.91 O ATOM 559 ND2 ASN A 85 -9.632 9.823 18.637 1.00 20.45 N ATOM 560 N ARG A 86 -4.302 9.685 17.484 1.00 21.92 N ATOM 561 CA ARG A 86 -3.193 9.174 16.683 1.00 24.01 C ATOM 562 C ARG A 86 -3.726 8.105 15.740 1.00 23.05 C ATOM 563 O ARG A 86 -4.756 7.495 16.014 1.00 21.65 O ATOM 564 CB ARG A 86 -2.118 8.569 17.588 1.00 25.59 C ATOM 565 CG ARG A 86 -1.679 9.499 18.703 1.00 33.11 C ATOM 566 CD ARG A 86 -0.500 8.941 19.461 1.00 34.00 C ATOM 567 NE ARG A 86 0.712 9.007 18.655 1.00 37.88 N ATOM 568 CZ ARG A 86 1.940 8.923 19.154 1.00 38.30 C ATOM 569 NH1 ARG A 86 2.117 8.766 20.458 1.00 32.63 N ATOM 570 NH2 ARG A 86 2.992 9.015 18.348 1.00 41.49 N ATOM 571 N ILE A 87 -3.035 7.879 14.627 1.00 22.95 N ATOM 572 CA ILE A 87 -3.463 6.860 13.672 1.00 25.44 C ATOM 573 C ILE A 87 -2.292 5.930 13.351 1.00 26.66 C ATOM 574 O ILE A 87 -1.132 6.344 13.382 1.00 24.82 O ATOM 575 CB ILE A 87 -4.066 7.508 12.393 1.00 27.00 C ATOM 576 CG1 ILE A 87 -4.623 6.437 11.452 1.00 31.04 C ATOM 577 CG2 ILE A 87 -3.031 8.368 11.689 1.00 28.13 C ATOM 578 CD1 ILE A 87 -5.814 5.656 11.977 1.00 36.32 C ATOM 579 N LEU A 88 -2.585 4.650 13.159 1.00 25.60 N ATOM 580 CA LEU A 88 -1.541 3.686 12.845 1.00 27.81 C ATOM 581 C LEU A 88 -1.234 3.695 11.349 1.00 26.91 C ATOM 582 O LEU A 88 -2.135 3.539 10.531 1.00 26.96 O ATOM 583 CB LEU A 88 -1.971 2.273 13.260 1.00 29.21 C ATOM 584 CG LEU A 88 -0.995 1.153 12.854 1.00 28.03 C ATOM 585 CD1 LEU A 88 0.194 1.144 13.783 1.00 26.90 C ATOM 586 CD2 LEU A 88 -1.675 -0.201 12.869 1.00 30.45 C ATOM 587 N ILE A 89 0.031 3.909 10.992 1.00 27.72 N ATOM 588 CA ILE A 89 0.442 3.897 9.579 1.00 28.35 C ATOM 589 C ILE A 89 1.557 2.850 9.465 1.00 26.88 C ATOM 590 O ILE A 89 2.704 3.107 9.826 1.00 25.26 O ATOM 591 CB ILE A 89 0.938 5.284 9.103 1.00 28.18 C ATOM 592 CG1 ILE A 89 -0.154 6.338 9.327 1.00 27.79 C ATOM 593 CG2 ILE A 89 1.287 5.220 7.616 1.00 29.50 C ATOM 594 CD1 ILE A 89 -0.227 6.866 10.735 1.00 36.32 C ATOM 595 N LYS A 90 1.194 1.669 8.974 1.00 29.11 N ATOM 596 CA LYS A 90 2.104 0.522 8.859 1.00 31.24 C ATOM 597 C LYS A 90 3.477 0.753 8.224 1.00 31.74 C ATOM 598 O LYS A 90 4.508 0.460 8.840 1.00 35.10 O ATOM 599 CB LYS A 90 1.382 -0.637 8.167 1.00 33.25 C ATOM 600 CG LYS A 90 2.127 -1.955 8.160 1.00 39.52 C ATOM 601 CD LYS A 90 1.296 -3.035 7.473 1.00 42.27 C ATOM 602 CE LYS A 90 2.043 -4.359 7.373 1.00 44.17 C ATOM 603 NZ LYS A 90 3.281 -4.283 6.539 1.00 45.63 N ATOM 604 N ASN A 91 3.496 1.261 6.997 1.00 29.32 N ATOM 605 CA ASN A 91 4.755 1.527 6.292 1.00 24.89 C ATOM 606 C ASN A 91 4.654 2.958 5.783 1.00 20.52 C ATOM 607 O ASN A 91 4.346 3.193 4.622 1.00 19.27 O ATOM 608 CB ASN A 91 4.928 0.551 5.120 1.00 26.52 C ATOM 609 CG ASN A 91 4.961 -0.899 5.566 1.00 26.65 C ATOM 610 OD1 ASN A 91 5.927 -1.344 6.165 1.00 31.12 O ATOM 611 ND2 ASN A 91 3.889 -1.627 5.300 1.00 26.89 N ATOM 612 N PRO A 92 4.907 3.934 6.665 1.00 19.32 N ATOM 613 CA PRO A 92 4.842 5.366 6.352 1.00 19.70 C ATOM 614 C PRO A 92 5.714 5.869 5.217 1.00 18.71 C ATOM 615 O PRO A 92 5.378 6.861 4.593 1.00 18.85 O ATOM 616 CB PRO A 92 5.194 6.033 7.683 1.00 19.61 C ATOM 617 CG PRO A 92 6.001 5.003 8.403 1.00 20.58 C ATOM 618 CD PRO A 92 5.336 3.714 8.058 1.00 22.04 C ATOM 619 N GLU A 93 6.797 5.165 4.913 1.00 17.57 N ATOM 620 CA GLU A 93 7.687 5.586 3.839 1.00 19.15 C ATOM 621 C GLU A 93 7.032 5.693 2.458 1.00 17.92 C ATOM 622 O GLU A 93 7.572 6.355 1.584 1.00 19.41 O ATOM 623 CB GLU A 93 8.898 4.649 3.745 1.00 20.63 C ATOM 624 CG GLU A 93 8.568 3.221 3.243 1.00 19.45 C ATOM 625 CD GLU A 93 8.103 2.261 4.341 1.00 23.75 C ATOM 626 OE1 GLU A 93 7.786 2.706 5.460 1.00 18.85 O ATOM 627 OE2 GLU A 93 8.072 1.040 4.079 1.00 22.42 O ATOM 628 N TYR A 94 5.901 5.019 2.251 1.00 18.50 N ATOM 629 CA TYR A 94 5.212 5.065 0.961 1.00 19.62 C ATOM 630 C TYR A 94 4.736 6.465 0.606 1.00 19.21 C ATOM 631 O TYR A 94 4.517 6.778 -0.562 1.00 21.56 O ATOM 632 CB TYR A 94 4.073 4.037 0.908 1.00 20.66 C ATOM 633 CG TYR A 94 4.579 2.621 0.727 1.00 21.22 C ATOM 634 CD1 TYR A 94 5.368 2.274 -0.375 1.00 22.29 C ATOM 635 CD2 TYR A 94 4.313 1.639 1.679 1.00 22.91 C ATOM 636 CE1 TYR A 94 5.889 0.982 -0.515 1.00 21.90 C ATOM 637 CE2 TYR A 94 4.817 0.357 1.542 1.00 23.13 C ATOM 638 CZ TYR A 94 5.603 0.030 0.453 1.00 22.58 C ATOM 639 OH TYR A 94 6.078 -1.265 0.348 1.00 22.27 O ATOM 640 N PHE A 95 4.563 7.299 1.622 1.00 18.02 N ATOM 641 CA PHE A 95 4.178 8.693 1.424 1.00 18.40 C ATOM 642 C PHE A 95 5.559 9.310 1.198 1.00 19.17 C ATOM 643 O PHE A 95 6.292 9.573 2.145 1.00 18.97 O ATOM 644 CB PHE A 95 3.534 9.235 2.701 1.00 18.27 C ATOM 645 CG PHE A 95 3.327 10.721 2.709 1.00 18.07 C ATOM 646 CD1 PHE A 95 2.749 11.371 1.621 1.00 21.85 C ATOM 647 CD2 PHE A 95 3.674 11.467 3.831 1.00 20.42 C ATOM 648 CE1 PHE A 95 2.516 12.755 1.662 1.00 22.04 C ATOM 649 CE2 PHE A 95 3.444 12.847 3.876 1.00 20.58 C ATOM 650 CZ PHE A 95 2.865 13.482 2.792 1.00 18.97 C ATOM 651 N SER A 96 5.926 9.456 -0.068 1.00 20.56 N ATOM 652 CA SER A 96 7.247 9.953 -0.445 1.00 22.05 C ATOM 653 C SER A 96 7.610 11.379 -0.068 1.00 22.07 C ATOM 654 O SER A 96 6.748 12.232 0.163 1.00 20.46 O ATOM 655 CB SER A 96 7.474 9.766 -1.945 1.00 21.52 C ATOM 656 OG SER A 96 6.673 10.663 -2.687 1.00 22.57 O ATOM 657 N THR A 97 8.913 11.638 -0.047 1.00 22.71 N ATOM 658 CA THR A 97 9.411 12.966 0.271 1.00 24.31 C ATOM 659 C THR A 97 8.973 13.933 -0.823 1.00 24.19 C ATOM 660 O THR A 97 8.652 15.093 -0.552 1.00 24.65 O ATOM 661 CB THR A 97 10.938 12.949 0.445 1.00 26.41 C ATOM 662 OG1 THR A 97 11.262 12.090 1.550 1.00 27.05 O ATOM 663 CG2 THR A 97 11.464 14.350 0.727 1.00 28.13 C ATOM 664 N TYR A 98 8.885 13.426 -2.051 1.00 24.30 N ATOM 665 CA TYR A 98 8.451 14.232 -3.179 1.00 22.05 C ATOM 666 C TYR A 98 7.043 14.764 -2.900 1.00 23.88 C ATOM 667 O TYR A 98 6.802 15.979 -2.939 1.00 22.11 O ATOM 668 CB TYR A 98 8.446 13.393 -4.447 1.00 21.16 C ATOM 669 CG TYR A 98 7.928 14.125 -5.657 1.00 22.20 C ATOM 670 CD1 TYR A 98 8.764 14.950 -6.408 1.00 20.52 C ATOM 671 CD2 TYR A 98 6.599 14.004 -6.050 1.00 23.94 C ATOM 672 CE1 TYR A 98 8.286 15.642 -7.511 1.00 23.49 C ATOM 673 CE2 TYR A 98 6.111 14.693 -7.160 1.00 26.01 C ATOM 674 CZ TYR A 98 6.962 15.513 -7.879 1.00 25.13 C ATOM 675 OH TYR A 98 6.471 16.242 -8.939 1.00 26.87 O HETATM 676 N MSE A 99 6.122 13.849 -2.596 1.00 24.85 N HETATM 677 CA MSE A 99 4.738 14.226 -2.295 1.00 27.90 C HETATM 678 C MSE A 99 4.667 15.196 -1.125 1.00 26.58 C HETATM 679 O MSE A 99 3.968 16.207 -1.183 1.00 27.15 O HETATM 680 CB MSE A 99 3.903 13.000 -1.937 1.00 31.57 C HETATM 681 CG MSE A 99 3.542 12.123 -3.094 1.00 38.61 C HETATM 682 SE MSE A 99 2.343 10.718 -2.472 1.00 52.68 HETATM 683 CE MSE A 99 3.653 9.315 -2.359 1.00 41.08 C ATOM 684 N GLN A 100 5.389 14.874 -0.060 1.00 25.06 N ATOM 685 CA GLN A 100 5.399 15.710 1.132 1.00 26.32 C ATOM 686 C GLN A 100 5.894 17.135 0.855 1.00 26.86 C ATOM 687 O GLN A 100 5.212 18.110 1.160 1.00 25.91 O ATOM 688 CB GLN A 100 6.245 15.046 2.216 1.00 27.04 C ATOM 689 CG GLN A 100 6.314 15.809 3.525 1.00 27.49 C ATOM 690 CD GLN A 100 7.063 15.048 4.591 1.00 32.72 C ATOM 691 OE1 GLN A 100 8.061 15.533 5.125 1.00 38.61 O ATOM 692 NE2 GLN A 100 6.586 13.849 4.917 1.00 30.14 N ATOM 693 N GLU A 101 7.084 17.242 0.275 1.00 26.79 N ATOM 694 CA GLU A 101 7.666 18.538 -0.046 1.00 27.10 C ATOM 695 C GLU A 101 6.808 19.308 -1.039 1.00 26.66 C ATOM 696 O GLU A 101 6.768 20.534 -1.003 1.00 26.33 O ATOM 697 CB GLU A 101 9.086 18.363 -0.582 1.00 29.21 C ATOM 698 CG GLU A 101 10.136 18.004 0.478 1.00 30.13 C ATOM 699 CD GLU A 101 10.447 19.148 1.437 1.00 34.20 C ATOM 700 OE1 GLU A 101 10.779 20.263 0.974 1.00 35.93 O ATOM 701 OE2 GLU A 101 10.378 18.922 2.659 1.00 33.46 O ATOM 702 N GLN A 102 6.105 18.595 -1.918 1.00 27.47 N ATOM 703 CA GLN A 102 5.231 19.259 -2.878 1.00 28.83 C ATOM 704 C GLN A 102 4.055 19.909 -2.150 1.00 30.62 C ATOM 705 O GLN A 102 3.709 21.068 -2.410 1.00 29.83 O ATOM 706 CB GLN A 102 4.714 18.271 -3.929 1.00 30.64 C ATOM 707 CG GLN A 102 3.807 18.919 -4.949 1.00 34.18 C ATOM 708 CD GLN A 102 3.441 18.003 -6.097 1.00 34.42 C ATOM 709 OE1 GLN A 102 3.749 16.810 -6.090 1.00 35.49 O ATOM 710 NE2 GLN A 102 2.775 18.559 -7.090 1.00 36.36 N ATOM 711 N LEU A 103 3.465 19.165 -1.218 1.00 29.54 N ATOM 712 CA LEU A 103 2.335 19.659 -0.438 1.00 29.64 C ATOM 713 C LEU A 103 2.764 20.792 0.486 1.00 29.68 C ATOM 714 O LEU A 103 2.061 21.790 0.607 1.00 32.21 O ATOM 715 CB LEU A 103 1.695 18.520 0.362 1.00 28.06 C ATOM 716 CG LEU A 103 0.986 17.453 -0.484 1.00 28.33 C ATOM 717 CD1 LEU A 103 0.628 16.226 0.346 1.00 25.42 C ATOM 718 CD2 LEU A 103 -0.256 18.038 -1.126 1.00 28.41 C ATOM 719 N LYS A 104 3.929 20.640 1.113 1.00 29.55 N ATOM 720 CA LYS A 104 4.470 21.656 2.003 1.00 30.00 C ATOM 721 C LYS A 104 4.627 22.961 1.223 1.00 32.51 C ATOM 722 O LYS A 104 4.241 24.029 1.695 1.00 30.16 O ATOM 723 CB LYS A 104 5.828 21.209 2.545 1.00 30.87 C ATOM 724 CG LYS A 104 6.501 22.199 3.477 1.00 31.39 C ATOM 725 CD LYS A 104 7.818 21.645 3.992 1.00 35.04 C ATOM 726 CE LYS A 104 8.684 22.733 4.621 1.00 37.70 C ATOM 727 NZ LYS A 104 9.225 23.685 3.601 1.00 39.25 N ATOM 728 N GLU A 105 5.138 22.836 0.002 1.00 32.20 N ATOM 729 CA GLU A 105 5.358 23.966 -0.889 1.00 35.67 C ATOM 730 C GLU A 105 4.062 24.697 -1.229 1.00 34.55 C ATOM 731 O GLU A 105 4.016 25.924 -1.182 1.00 35.69 O ATOM 732 CB GLU A 105 6.044 23.472 -2.166 1.00 37.35 C ATOM 733 CG GLU A 105 6.236 24.511 -3.245 1.00 42.65 C ATOM 734 CD GLU A 105 6.891 23.925 -4.475 1.00 44.74 C ATOM 735 OE1 GLU A 105 6.190 23.268 -5.272 1.00 46.33 O ATOM 736 OE2 GLU A 105 8.115 24.102 -4.634 1.00 47.66 O ATOM 737 N LEU A 106 3.018 23.943 -1.572 1.00 34.43 N ATOM 738 CA LEU A 106 1.717 24.515 -1.914 1.00 35.55 C ATOM 739 C LEU A 106 1.062 25.215 -0.718 1.00 37.04 C ATOM 740 O LEU A 106 0.436 26.262 -0.873 1.00 36.26 O ATOM 741 CB LEU A 106 0.778 23.430 -2.452 1.00 37.11 C ATOM 742 CG LEU A 106 0.835 23.086 -3.947 1.00 38.81 C ATOM 743 CD1 LEU A 106 2.250 22.744 -4.396 1.00 40.68 C ATOM 744 CD2 LEU A 106 -0.103 21.925 -4.227 1.00 40.66 C ATOM 745 N VAL A 107 1.187 24.623 0.469 1.00 35.74 N ATOM 746 CA VAL A 107 0.618 25.228 1.674 1.00 35.68 C ATOM 747 C VAL A 107 1.311 26.566 1.972 1.00 37.38 C ATOM 748 O VAL A 107 0.645 27.568 2.241 1.00 34.71 O ATOM 749 CB VAL A 107 0.746 24.291 2.913 1.00 35.95 C ATOM 750 CG1 VAL A 107 0.329 25.021 4.181 1.00 34.20 C ATOM 751 CG2 VAL A 107 -0.121 23.047 2.733 1.00 33.78 C ATOM 752 N LEU A 108 2.644 26.581 1.906 1.00 37.99 N ATOM 753 CA LEU A 108 3.414 27.795 2.177 1.00 43.48 C ATOM 754 C LEU A 108 3.163 28.930 1.186 1.00 46.40 C ATOM 755 O LEU A 108 3.206 30.102 1.563 1.00 48.51 O ATOM 756 CB LEU A 108 4.918 27.494 2.262 1.00 43.34 C ATOM 757 CG LEU A 108 5.398 26.730 3.500 1.00 43.33 C ATOM 758 CD1 LEU A 108 6.899 26.551 3.450 1.00 44.34 C ATOM 759 CD2 LEU A 108 4.998 27.475 4.767 1.00 43.12 C ATOM 760 N GLU A 109 2.875 28.583 -0.066 1.00 49.24 N ATOM 761 CA GLU A 109 2.617 29.583 -1.096 1.00 52.55 C ATOM 762 C GLU A 109 1.225 30.207 -0.948 1.00 54.13 C ATOM 763 O GLU A 109 0.784 30.977 -1.801 1.00 53.81 O ATOM 764 CB GLU A 109 2.795 28.963 -2.484 1.00 53.53 C ATOM 765 CG GLU A 109 2.926 29.983 -3.611 1.00 58.66 C ATOM 766 CD GLU A 109 3.887 29.540 -4.703 1.00 60.12 C ATOM 767 OE1 GLU A 109 3.596 28.537 -5.393 1.00 61.83 O ATOM 768 OE2 GLU A 109 4.935 30.200 -4.870 1.00 60.95 O ATOM 769 N HIS A 110 0.543 29.868 0.145 1.00 56.25 N ATOM 770 CA HIS A 110 -0.790 30.395 0.435 1.00 58.00 C ATOM 771 C HIS A 110 -0.816 31.159 1.761 1.00 58.28 C ATOM 772 O HIS A 110 -1.123 32.369 1.729 1.00 36.32 O ATOM 773 CB HIS A 110 -1.823 29.264 0.466 1.00 60.21 C ATOM 774 CG HIS A 110 -2.267 28.812 -0.889 1.00 62.00 C ATOM 775 ND1 HIS A 110 -3.582 28.513 -1.178 1.00 62.23 N ATOM 776 CD2 HIS A 110 -1.576 28.618 -2.038 1.00 63.18 C ATOM 777 CE1 HIS A 110 -3.681 28.158 -2.447 1.00 63.81 C ATOM 778 NE2 HIS A 110 -2.478 28.214 -2.990 1.00 64.19 N HETATM 779 O HOH A 116 2.152 11.814 7.222 1.00 17.63 O HETATM 780 O HOH A 117 2.517 7.455 5.270 1.00 17.58 O HETATM 781 O HOH A 118 3.256 9.400 6.971 1.00 24.87 O HETATM 782 O HOH A 119 13.995 11.810 2.046 1.00 25.61 O HETATM 783 O HOH A 120 -4.845 13.408 14.632 1.00 21.83 O HETATM 784 O HOH A 121 9.049 21.855 -0.363 1.00 30.09 O HETATM 785 O HOH A 122 -12.104 16.002 18.657 1.00 33.48 O HETATM 786 O HOH A 123 7.437 11.611 3.614 1.00 31.18 O HETATM 787 O HOH A 124 4.216 8.887 9.439 1.00 24.24 O HETATM 788 O HOH A 125 -1.326 10.127 14.311 1.00 39.40 O HETATM 789 O HOH A 126 -6.221 16.077 7.189 1.00 19.84 O HETATM 790 O HOH A 127 -1.405 26.935 10.713 1.00 39.54 O HETATM 791 O HOH A 128 -4.458 24.852 1.069 1.00 45.35 O HETATM 792 O HOH A 129 9.099 -2.716 7.167 1.00 35.09 O HETATM 793 O HOH A 130 2.062 28.165 6.313 1.00 44.24 O HETATM 794 O HOH A 131 -2.116 17.243 13.895 1.00 37.27 O HETATM 795 O HOH A 132 -8.393 23.353 5.354 1.00 32.36 O HETATM 796 O HOH A 133 8.651 25.707 -1.474 1.00 44.10 O HETATM 797 O HOH A 134 -0.561 11.236 -9.452 1.00 43.89 O HETATM 798 O HOH A 135 -2.869 12.881 18.419 1.00 29.31 O HETATM 799 O HOH A 136 -10.906 20.423 4.144 1.00 37.58 O HETATM 800 O HOH A 137 10.562 9.573 -0.859 1.00 25.12 O HETATM 801 O HOH A 138 -0.261 4.776 -3.220 1.00 34.58 O HETATM 802 O HOH A 139 4.487 11.355 10.728 1.00 31.07 O HETATM 803 O HOH A 140 0.613 8.689 13.051 1.00 38.37 O HETATM 804 O HOH A 141 -16.461 6.328 11.956 1.00 49.63 O HETATM 805 O HOH A 142 -15.736 4.995 8.926 1.00 37.88 O HETATM 806 O HOH A 143 -3.355 27.735 3.141 1.00 55.58 O HETATM 807 O HOH A 144 -6.938 -0.717 3.137 1.00 43.09 O HETATM 808 O HOH A 145 -5.217 3.290 13.807 1.00 46.01 O HETATM 809 O HOH A 146 10.903 11.485 -2.657 1.00 31.92 O HETATM 810 O HOH A 147 -5.370 7.725 8.804 1.00 79.42 O HETATM 811 O HOH A 148 -12.269 17.189 16.028 1.00 25.78 O HETATM 812 O HOH A 149 -11.782 8.748 15.179 1.00 35.33 O HETATM 813 O HOH A 150 7.391 9.079 9.233 1.00 32.95 O HETATM 814 O HOH A 151 4.007 15.700 10.237 1.00 47.91 O HETATM 815 O HOH A 152 -8.512 14.811 8.162 1.00 37.28 O HETATM 816 O HOH A 153 -5.598 15.833 19.941 1.00 43.41 O HETATM 817 O HOH A 154 8.636 0.272 7.706 1.00 44.78 O HETATM 818 O HOH A 155 1.386 20.166 13.748 1.00 30.49 O HETATM 819 O HOH A 156 0.039 6.481 -5.437 1.00 35.66 O HETATM 820 O HOH A 157 -7.967 12.187 -10.564 1.00 40.83 O HETATM 821 O HOH A 158 -8.880 13.966 -13.667 1.00 43.15 O HETATM 822 O HOH A 159 1.511 -0.849 4.047 1.00 33.78 O HETATM 823 O HOH A 160 -1.742 1.211 -5.894 1.00 39.36 O HETATM 824 O HOH A 161 -11.885 22.897 3.580 1.00 44.89 O HETATM 825 O HOH A 162 2.549 8.125 15.840 1.00 57.58 O HETATM 826 O HOH A 163 -2.660 -5.180 -0.274 1.00 42.51 O HETATM 827 O HOH A 164 -6.240 11.502 21.890 1.00 44.67 O HETATM 828 O HOH A 165 -20.378 13.908 2.034 1.00 43.16 O HETATM 829 O HOH A 166 3.441 7.137 11.893 1.00 32.38 O HETATM 830 O HOH A 167 2.703 33.779 1.257 1.00 54.42 O HETATM 831 O HOH A 168 -1.234 1.607 7.688 1.00 37.63 O HETATM 832 O HOH A 169 -18.586 4.781 -11.176 1.00 48.46 O HETATM 833 O HOH A 170 9.025 4.036 -0.024 1.00 35.92 O HETATM 834 O HOH A 171 -6.482 -0.000 -3.660 1.00 68.08 O HETATM 835 O HOH A 172 1.905 18.119 -9.776 1.00 47.97 O HETATM 836 O HOH A 173 3.906 26.841 -7.708 1.00 33.85 O HETATM 837 O HOH A 174 -6.957 2.913 10.389 1.00 37.75 O HETATM 838 O HOH A 175 5.485 9.632 17.195 1.00 36.55 O HETATM 839 O HOH A 176 -9.749 0.848 -12.567 1.00 44.95 O HETATM 840 O HOH A 177 -11.978 20.128 -3.144 1.00 43.21 O HETATM 841 O HOH A 178 1.220 11.562 16.036 1.00 58.87 O HETATM 842 O HOH A 179 2.832 30.981 4.308 1.00 44.53 O HETATM 843 O HOH A 180 3.597 13.322 9.002 1.00 37.66 O HETATM 844 O HOH A 181 -3.242 34.655 1.766 1.00 40.84 O HETATM 845 O HOH A 182 -12.365 4.643 -10.163 1.00 44.14 O HETATM 846 O HOH A 183 -7.691 29.871 1.089 1.00 40.32 O HETATM 847 O HOH A 184 -11.457 4.131 7.288 1.00 38.69 O HETATM 848 O HOH A 185 -13.655 15.774 10.328 1.00110.49 O HETATM 849 O HOH A 186 -9.649 23.943 -2.627 1.00 47.87 O HETATM 850 O HOH A 187 -3.296 15.465 15.624 1.00 46.49 O HETATM 851 O HOH A 188 7.662 18.797 7.793 1.00 50.02 O HETATM 852 O HOH A 189 9.925 20.018 5.807 1.00 63.26 O HETATM 853 O HOH A 190 5.332 7.444 -4.226 1.00 44.43 O HETATM 854 O HOH A 191 -15.110 1.422 -11.628 1.00 46.98 O HETATM 855 O HOH A 192 2.570 6.242 -3.053 1.00 40.70 O HETATM 856 O HOH A 193 -13.828 19.291 -13.178 1.00 45.10 O HETATM 857 O HOH A 194 -1.788 36.595 0.314 1.00 55.33 O HETATM 858 O HOH A 195 -6.412 28.359 -0.808 1.00 39.55 O HETATM 859 O HOH A 196 -7.293 5.864 -10.310 1.00 57.83 O HETATM 860 O HOH A 197 -16.444 6.625 6.642 1.00 31.64 O HETATM 861 O HOH A 198 -14.345 17.817 -2.836 1.00 42.09 O HETATM 862 O HOH A 199 -21.016 15.667 5.453 1.00 47.93 O HETATM 863 O HOH A 200 -0.473 34.125 -0.728 1.00 46.25 O HETATM 864 O HOH A 201 15.591 13.598 0.873 1.00 33.00 O HETATM 865 O HOH A 202 -9.140 -2.561 8.416 1.00 41.57 O HETATM 866 O HOH A 203 -0.063 14.029 14.300 1.00 37.03 O HETATM 867 O HOH A 204 -2.088 25.174 -0.081 1.00 49.02 O HETATM 868 O HOH A 205 5.732 24.305 7.135 1.00 43.70 O HETATM 869 O HOH A 206 -20.153 1.301 2.914 1.00 47.39 O HETATM 870 O HOH A 207 2.673 4.003 13.077 1.00 28.44 O HETATM 871 O HOH A 208 -22.434 8.805 -7.967 1.00 52.28 O HETATM 872 O HOH A 209 3.266 12.878 -6.248 1.00 54.85 O HETATM 873 O HOH A 210 0.937 10.810 -5.275 1.00 63.31 O HETATM 874 O HOH A 211 -8.171 0.383 7.738 1.00 41.66 O HETATM 875 O HOH A 212 7.032 6.085 -2.042 1.00 45.79 O HETATM 876 O HOH A 213 -2.247 12.546 13.209 1.00 52.13 O HETATM 877 O HOH A 214 -18.059 7.943 4.943 1.00 55.17 O HETATM 878 O HOH A 215 -19.656 -4.485 1.925 1.00 50.02 O HETATM 879 O HOH A 216 1.906 32.676 -9.079 1.00 59.26 O HETATM 880 O HOH A 217 -14.877 1.221 5.971 1.00 75.00 O HETATM 881 O HOH A 218 -13.035 6.271 11.228 1.00 40.18 O HETATM 882 O HOH A 219 -1.745 8.845 -2.986 1.00 91.25 O HETATM 883 O HOH A 220 8.753 24.239 0.968 1.00 41.54 O HETATM 884 O HOH A 221 -15.096 21.363 4.896 1.00 62.61 O HETATM 885 O HOH A 222 -16.152 16.485 -5.776 1.00 66.64 O HETATM 886 O HOH A 223 -15.445 19.375 8.359 1.00 50.45 O HETATM 887 O HOH A 224 0.226 36.081 2.012 1.00 40.94 O HETATM 888 O HOH A 225 1.270 19.369 -3.403 1.00 88.98 O HETATM 889 O HOH A 226 -3.805 26.488 9.645 1.00 37.55 O HETATM 890 O HOH A 227 -20.855 4.042 -9.145 1.00 61.95 O HETATM 891 O HOH A 228 1.051 3.452 -6.235 1.00 55.03 O HETATM 892 O HOH A 229 -9.947 11.454 -14.382 1.00 51.45 O HETATM 893 O HOH A 230 -20.875 2.260 5.874 1.00 77.28 O HETATM 894 O HOH A 231 9.880 15.467 3.164 1.00 53.33 O HETATM 895 O HOH A 232 -12.064 8.492 -0.515 1.00 91.05 O HETATM 896 O HOH A 233 10.234 7.233 -2.279 1.00 43.80 O HETATM 897 O HOH A 234 -20.753 6.197 -12.216 1.00 51.96 O HETATM 898 O HOH A 235 0.472 27.005 -3.566 1.00 95.06 O HETATM 899 O HOH A 236 -5.807 -6.343 -3.014 1.00 48.33 O HETATM 900 O HOH A 237 5.767 17.678 9.859 1.00 49.46 O HETATM 901 O HOH A 238 2.980 1.289 11.887 1.00 50.62 O HETATM 902 O HOH A 239 4.919 30.186 -9.526 1.00 63.39 O HETATM 903 O HOH A 240 -1.030 9.398 -6.713 1.00 36.27 O HETATM 904 O HOH A 241 -14.759 -0.181 3.489 1.00 47.40 O HETATM 905 O HOH A 242 -16.080 16.784 9.984 1.00 42.74 O HETATM 906 O HOH A 243 -12.590 21.068 -7.280 1.00 59.13 O HETATM 907 O HOH A 244 -22.666 12.241 -6.730 1.00 46.41 O HETATM 908 O HOH A 245 -1.899 31.712 -3.094 1.00 35.26 O HETATM 909 O HOH A 246 -10.345 -5.206 -2.893 1.00 52.34 O HETATM 910 O HOH A 247 4.342 20.003 10.753 1.00 54.05 O HETATM 911 O HOH A 248 -17.475 14.395 9.883 1.00 45.09 O HETATM 912 O HOH A 249 -17.632 7.617 -3.760 1.00 42.77 O HETATM 913 O HOH A 250 -5.017 -3.751 -10.633 1.00 61.73 O HETATM 914 O HOH A 251 -11.014 15.510 0.776 1.00108.48 O HETATM 915 O HOH A 252 -15.998 19.941 -2.444 1.00 41.45 O HETATM 916 O HOH A 253 -2.775 26.303 -8.078 1.00 58.90 O HETATM 917 O HOH A 254 2.961 30.650 -7.646 1.00 66.45 O HETATM 918 O HOH A 255 10.549 17.312 6.752 1.00 46.13 O HETATM 919 O HOH A 256 -1.650 -0.614 6.186 1.00 84.09 O HETATM 920 O HOH A 257 8.373 14.259 7.467 1.00 41.54 O HETATM 921 O HOH A 258 6.614 -5.036 6.792 1.00 61.46 O HETATM 922 O HOH A 259 -6.450 26.760 3.907 1.00 59.96 O HETATM 923 O HOH A 260 -14.130 3.448 7.284 1.00 35.75 O HETATM 924 O HOH A 261 -12.531 10.638 -13.584 1.00 69.15 O HETATM 925 O HOH A 262 -17.401 -3.167 -6.439 1.00 54.89 O HETATM 926 O HOH A 263 -13.704 5.332 -13.733 1.00 69.60 O HETATM 927 O HOH A 264 0.955 20.625 -11.087 1.00 60.18 O HETATM 928 O HOH A 265 -11.636 18.126 -9.260 1.00 45.69 O HETATM 929 O HOH A 266 -8.666 17.588 -11.781 1.00 67.63 O HETATM 930 O HOH A 267 -24.819 10.967 -5.497 1.00 83.65 O HETATM 931 O HOH A 268 -21.454 15.764 -7.131 1.00 43.47 O HETATM 932 O HOH A 269 -10.488 19.981 -5.783 1.00 55.15 O HETATM 933 O HOH A 270 -3.423 -0.892 -7.738 1.00 60.55 O HETATM 934 O HOH A 271 -12.180 -0.559 10.295 1.00 75.09 O HETATM 935 O HOH A 272 1.242 26.185 -7.272 1.00 47.27 O HETATM 936 O HOH A 273 -14.542 2.999 10.736 1.00 41.69 O HETATM 937 O HOH A 274 3.420 0.374 -8.989 1.00 70.44 O HETATM 938 O HOH A 275 -21.986 -0.291 5.372 1.00 69.31 O HETATM 939 O HOH A 276 -2.283 28.839 -7.321 1.00 52.55 O HETATM 940 O HOH A 277 -19.760 14.518 -5.398 1.00 76.16 O HETATM 941 O HOH A 278 0.809 32.878 -6.073 1.00 42.63 O TER 942 HOH A 278 ENDMDL MASTER END