HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-08 3E0H TITLE CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM TITLE 2 CHLOROBIUM TEPIDUM. NORTHEAST STRUCTURAL GENOMICS TARGET TITLE 3 CTR107. COMPND MOL_ID: 1; COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; SOURCE 3 ORGANISM_TAXID: 1097; SOURCE 4 GENE: CT0179; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PET 21 KEYWDS UNCHARACTERIZED PROTEIN, CHLOROBIUM TEPIDUM, STRUCTURAL KEYWDS 2 GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST KEYWDS 3 STRUCTURAL GENOMICS CONSORTIUM, NESG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, AUTHOR 2 R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 3E0H 1 VERSN REVDAT 1 30-SEP-08 3E0H 0 JRNL AUTH J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE, JRNL AUTH 2 R.XIAO,R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE, JRNL AUTH 3 J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN JRNL TITL 2 FROM CHLOROBIUM TEPIDUM. NORTHEAST STRUCTURAL JRNL TITL 3 GENOMICS TARGET CTR107. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.81 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) : 1.81 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.49 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 175976.720 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.7 REMARK 3 NUMBER OF REFLECTIONS : 22371 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) : 0.210 REMARK 3 FREE R VALUE : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.400 REMARK 3 FREE R VALUE TEST SET COUNT : 2093 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2780 REMARK 3 BIN R VALUE (WORKING SET) : 0.2000 REMARK 3 BIN FREE R VALUE : 0.2270 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 266 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 : 1160 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 141 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.16000 REMARK 3 B22 (A**2) : -2.51000 REMARK 3 B33 (A**2) : 2.67000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.05 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) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.12 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.85 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 : 41.51 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3E0H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-AUG-08. REMARK 100 THE RCSB ID CODE IS RCSB048719. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-JUL-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.1 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) : 0.979 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23778 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 7.400 REMARK 200 R MERGE (I) : 0.10700 REMARK 200 R SYM (I) : 0.09000 REMARK 200 FOR THE DATA SET : 10.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 7.40 REMARK 200 R MERGE FOR SHELL (I) : 0.31600 REMARK 200 R SYM FOR SHELL (I) : 0.31800 REMARK 200 FOR SHELL : 10.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM BROMIDE 0.1M,MES 0.1M, PEG REMARK 280 20000 40%, PH 4.1, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE REMARK 280 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.75400 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.72000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.44050 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.72000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.75400 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 25.44050 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MSE A 1 REMARK 465 ASP A 2 REMARK 465 PHE A 3 REMARK 465 GLU A 4 REMARK 465 CYS A 5 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 GLU A 157 47.17 -148.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: CTR107 RELATED DB: TARGETDB DBREF 3E0H A 1 158 UNP Q8KFZ1 Q8KFZ1_CHLTE 1 158 SEQRES 1 A 158 MSE ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU SEQRES 2 A 158 LEU ALA PRO VAL PRO ALA LEU LEU ILE ARG THR GLN THR SEQRES 3 A 158 THR MSE SER GLU LEU GLY SER LEU PHE GLU ALA GLY TYR SEQRES 4 A 158 HIS ASP ILE LEU GLN LEU LEU ALA GLY GLN GLY LYS SER SEQRES 5 A 158 PRO SER GLY PRO PRO PHE ALA ARG TYR PHE GLY MSE SER SEQRES 6 A 158 ALA GLY THR PHE GLU VAL GLU PHE GLY PHE PRO VAL GLU SEQRES 7 A 158 GLY GLY VAL GLU GLY SER GLY ARG VAL VAL THR GLY LEU SEQRES 8 A 158 THR PRO SER GLY LYS ALA ALA SER SER LEU TYR ILE GLY SEQRES 9 A 158 PRO TYR GLY GLU ILE GLU ALA VAL TYR ASP ALA LEU MSE SEQRES 10 A 158 LYS TRP VAL ASP ASP ASN GLY PHE ASP LEU SER GLY GLU SEQRES 11 A 158 ALA TYR GLU ILE TYR LEU ASP ASN PRO ALA GLU THR ALA SEQRES 12 A 158 PRO ASP GLN LEU ARG THR ARG VAL SER LEU MSE LEU HIS SEQRES 13 A 158 GLU SER MODRES 3E0H MSE A 28 MET SELENOMETHIONINE MODRES 3E0H MSE A 64 MET SELENOMETHIONINE MODRES 3E0H MSE A 117 MET SELENOMETHIONINE MODRES 3E0H MSE A 154 MET SELENOMETHIONINE HET MSE A 28 8 HET MSE A 64 8 HET MSE A 117 8 HET MSE A 154 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 2 HOH *141(H2 O) HELIX 1 1 THR A 27 GLN A 49 1 23 HELIX 2 2 PRO A 105 GLU A 108 5 4 HELIX 3 3 ILE A 109 ASN A 123 1 15 HELIX 4 4 ALA A 143 GLN A 146 5 4 SHEET 1 A 8 CYS A 9 LEU A 14 0 SHEET 2 A 8 GLY A 95 ILE A 103 -1 O SER A 99 N GLU A 10 SHEET 3 A 8 ARG A 148 LEU A 155 -1 O THR A 149 N TYR A 102 SHEET 4 A 8 LEU A 127 TYR A 135 -1 N TYR A 132 O SER A 152 SHEET 5 A 8 PHE A 58 PHE A 62 -1 N TYR A 61 O ALA A 131 SHEET 6 A 8 PHE A 69 PRO A 76 -1 O GLU A 70 N PHE A 62 SHEET 7 A 8 PRO A 18 THR A 26 -1 N THR A 26 O PHE A 69 SHEET 8 A 8 VAL A 88 LEU A 91 -1 O VAL A 88 N LEU A 21 LINK C THR A 27 N MSE A 28 1555 1555 1.33 LINK C MSE A 28 N SER A 29 1555 1555 1.33 LINK C GLY A 63 N MSE A 64 1555 1555 1.33 LINK C MSE A 64 N SER A 65 1555 1555 1.33 LINK C LEU A 116 N MSE A 117 1555 1555 1.33 LINK C MSE A 117 N LYS A 118 1555 1555 1.33 LINK C LEU A 153 N MSE A 154 1555 1555 1.33 LINK C MSE A 154 N LEU A 155 1555 1555 1.33 CRYST1 47.508 50.881 55.440 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.021049 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019654 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018038 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0H.PDB, MODEL/S 1 3E0H.PDB REMARK PdbStat -- SEQRES 1 A 294 GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA PRO VAL PRO SEQRES 2 A 294 ALA LEU LEU ILE ARG THR GLN THR THR MSE SER GLU LEU SEQRES 3 A 294 GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN SEQRES 4 A 294 LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO SEQRES 5 A 294 PHE ALA ARG TYR PHE GLY MSE SER ALA GLY THR PHE GLU SEQRES 6 A 294 VAL GLU PHE GLY PHE PRO VAL GLU GLY GLY VAL GLU GLY SEQRES 7 A 294 SER GLY ARG VAL VAL THR GLY LEU THR PRO SER GLY LYS SEQRES 8 A 294 ALA ALA SER SER LEU TYR ILE GLY PRO TYR GLY GLU ILE SEQRES 9 A 294 GLU ALA VAL TYR ASP ALA LEU MSE LYS TRP VAL ASP ASP SEQRES 10 A 294 ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR SEQRES 11 A 294 LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG SEQRES 12 A 294 THR ARG VAL SER LEU MSE LEU HIS GLU SER HOH HOH HOH SEQRES 13 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 294 HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0H.PDB, MODEL/S 1 3E0H.PDB REMARK PdbStat -- SEQRES 1 A 294 GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA PRO VAL PRO SEQRES 2 A 294 ALA LEU LEU ILE ARG THR GLN THR THR MSE SER GLU LEU SEQRES 3 A 294 GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN SEQRES 4 A 294 LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO SEQRES 5 A 294 PHE ALA ARG TYR PHE GLY MSE SER ALA GLY THR PHE GLU SEQRES 6 A 294 VAL GLU PHE GLY PHE PRO VAL GLU GLY GLY VAL GLU GLY SEQRES 7 A 294 SER GLY ARG VAL VAL THR GLY LEU THR PRO SER GLY LYS SEQRES 8 A 294 ALA ALA SER SER LEU TYR ILE GLY PRO TYR GLY GLU ILE SEQRES 9 A 294 GLU ALA VAL TYR ASP ALA LEU MSE LYS TRP VAL ASP ASP SEQRES 10 A 294 ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR SEQRES 11 A 294 LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG SEQRES 12 A 294 THR ARG VAL SER LEU MSE LEU HIS GLU SER HOH HOH HOH SEQRES 13 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 294 HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0H.PDB, MODEL/S 1 3E0H.PDB REMARK PdbStat -- SEQRES 1 A 294 GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA PRO VAL PRO SEQRES 2 A 294 ALA LEU LEU ILE ARG THR GLN THR THR MSE SER GLU LEU SEQRES 3 A 294 GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN SEQRES 4 A 294 LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO SEQRES 5 A 294 PHE ALA ARG TYR PHE GLY MSE SER ALA GLY THR PHE GLU SEQRES 6 A 294 VAL GLU PHE GLY PHE PRO VAL GLU GLY GLY VAL GLU GLY SEQRES 7 A 294 SER GLY ARG VAL VAL THR GLY LEU THR PRO SER GLY LYS SEQRES 8 A 294 ALA ALA SER SER LEU TYR ILE GLY PRO TYR GLY GLU ILE SEQRES 9 A 294 GLU ALA VAL TYR ASP ALA LEU MSE LYS TRP VAL ASP ASP SEQRES 10 A 294 ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR SEQRES 11 A 294 LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG SEQRES 12 A 294 THR ARG VAL SER LEU MSE LEU HIS GLU SER HOH HOH HOH SEQRES 13 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 294 HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0H.PDB, MODEL/S 1 3E0H.PDB REMARK PdbStat -- SEQRES 1 A 294 GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA PRO VAL PRO SEQRES 2 A 294 ALA LEU LEU ILE ARG THR GLN THR THR MSE SER GLU LEU SEQRES 3 A 294 GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN SEQRES 4 A 294 LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO SEQRES 5 A 294 PHE ALA ARG TYR PHE GLY MSE SER ALA GLY THR PHE GLU SEQRES 6 A 294 VAL GLU PHE GLY PHE PRO VAL GLU GLY GLY VAL GLU GLY SEQRES 7 A 294 SER GLY ARG VAL VAL THR GLY LEU THR PRO SER GLY LYS SEQRES 8 A 294 ALA ALA SER SER LEU TYR ILE GLY PRO TYR GLY GLU ILE SEQRES 9 A 294 GLU ALA VAL TYR ASP ALA LEU MSE LYS TRP VAL ASP ASP SEQRES 10 A 294 ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR SEQRES 11 A 294 LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG SEQRES 12 A 294 THR ARG VAL SER LEU MSE LEU HIS GLU SER HOH HOH HOH SEQRES 13 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 294 HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3E0H.PDB, MODEL/S 1 3E0H.PDB REMARK PdbStat -- SEQRES 1 A 294 GLN PHE VAL CYS GLU LEU LYS GLU LEU ALA PRO VAL PRO SEQRES 2 A 294 ALA LEU LEU ILE ARG THR GLN THR THR MSE SER GLU LEU SEQRES 3 A 294 GLY SER LEU PHE GLU ALA GLY TYR HIS ASP ILE LEU GLN SEQRES 4 A 294 LEU LEU ALA GLY GLN GLY LYS SER PRO SER GLY PRO PRO SEQRES 5 A 294 PHE ALA ARG TYR PHE GLY MSE SER ALA GLY THR PHE GLU SEQRES 6 A 294 VAL GLU PHE GLY PHE PRO VAL GLU GLY GLY VAL GLU GLY SEQRES 7 A 294 SER GLY ARG VAL VAL THR GLY LEU THR PRO SER GLY LYS SEQRES 8 A 294 ALA ALA SER SER LEU TYR ILE GLY PRO TYR GLY GLU ILE SEQRES 9 A 294 GLU ALA VAL TYR ASP ALA LEU MSE LYS TRP VAL ASP ASP SEQRES 10 A 294 ASN GLY PHE ASP LEU SER GLY GLU ALA TYR GLU ILE TYR SEQRES 11 A 294 LEU ASP ASN PRO ALA GLU THR ALA PRO ASP GLN LEU ARG SEQRES 12 A 294 THR ARG VAL SER LEU MSE LEU HIS GLU SER HOH HOH HOH SEQRES 13 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 294 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 294 HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3E0H.pdb ATOM 1 N GLN A 6 10.614 2.574 -20.682 1.00 37.56 N ATOM 2 CA GLN A 6 11.423 3.443 -19.787 1.00 36.01 C ATOM 3 C GLN A 6 11.161 3.155 -18.317 1.00 33.55 C ATOM 4 O GLN A 6 11.807 3.732 -17.442 1.00 34.80 O ATOM 5 CB GLN A 6 11.131 4.913 -20.076 1.00 38.44 C ATOM 6 CG GLN A 6 9.667 5.293 -20.015 1.00 40.72 C ATOM 7 CD GLN A 6 9.464 6.751 -19.638 1.00 42.97 C ATOM 8 OE1 GLN A 6 8.365 7.291 -19.753 1.00 43.12 O ATOM 9 NE2 GLN A 6 10.527 7.393 -19.169 1.00 43.63 N ATOM 10 N PHE A 7 10.202 2.276 -18.050 1.00 30.39 N ATOM 11 CA PHE A 7 9.861 1.895 -16.684 1.00 26.76 C ATOM 12 C PHE A 7 9.971 0.385 -16.560 1.00 25.00 C ATOM 13 O PHE A 7 9.482 -0.346 -17.416 1.00 25.98 O ATOM 14 CB PHE A 7 8.426 2.323 -16.337 1.00 26.78 C ATOM 15 CG PHE A 7 8.233 3.813 -16.247 1.00 26.04 C ATOM 16 CD1 PHE A 7 8.804 4.541 -15.211 1.00 26.31 C ATOM 17 CD2 PHE A 7 7.479 4.489 -17.199 1.00 25.96 C ATOM 18 CE1 PHE A 7 8.627 5.925 -15.128 1.00 28.45 C ATOM 19 CE2 PHE A 7 7.298 5.869 -17.126 1.00 25.62 C ATOM 20 CZ PHE A 7 7.870 6.585 -16.088 1.00 27.32 C ATOM 21 N VAL A 8 10.626 -0.082 -15.506 1.00 20.92 N ATOM 22 CA VAL A 8 10.751 -1.511 -15.281 1.00 17.34 C ATOM 23 C VAL A 8 9.597 -1.918 -14.379 1.00 17.17 C ATOM 24 O VAL A 8 9.493 -1.446 -13.256 1.00 15.47 O ATOM 25 CB VAL A 8 12.096 -1.862 -14.598 1.00 17.57 C ATOM 26 CG1 VAL A 8 12.146 -3.353 -14.283 1.00 17.89 C ATOM 27 CG2 VAL A 8 13.254 -1.484 -15.520 1.00 17.99 C ATOM 28 N CYS A 9 8.721 -2.781 -14.885 1.00 16.87 N ATOM 29 CA CYS A 9 7.563 -3.246 -14.124 1.00 17.51 C ATOM 30 C CYS A 9 7.728 -4.705 -13.751 1.00 17.95 C ATOM 31 O CYS A 9 8.181 -5.502 -14.568 1.00 15.97 O ATOM 32 CB CYS A 9 6.285 -3.054 -14.941 1.00 18.13 C ATOM 33 SG CYS A 9 5.972 -1.325 -15.373 1.00 20.46 S ATOM 34 N GLU A 10 7.349 -5.052 -12.523 1.00 15.41 N ATOM 35 CA GLU A 10 7.475 -6.418 -12.017 1.00 18.84 C ATOM 36 C GLU A 10 6.298 -6.932 -11.225 1.00 18.04 C ATOM 37 O GLU A 10 5.601 -6.171 -10.573 1.00 18.60 O ATOM 38 CB GLU A 10 8.681 -6.535 -11.082 1.00 19.75 C ATOM 39 CG GLU A 10 10.018 -6.338 -11.710 1.00 21.80 C ATOM 40 CD GLU A 10 11.110 -6.352 -10.656 1.00 22.03 C ATOM 41 OE1 GLU A 10 11.343 -5.300 -10.007 1.00 19.74 O ATOM 42 OE2 GLU A 10 11.711 -7.433 -10.460 1.00 24.76 O ATOM 43 N LEU A 11 6.106 -8.245 -11.263 1.00 18.21 N ATOM 44 CA LEU A 11 5.067 -8.886 -10.473 1.00 18.05 C ATOM 45 C LEU A 11 5.722 -9.138 -9.122 1.00 19.21 C ATOM 46 O LEU A 11 6.798 -9.726 -9.059 1.00 20.87 O ATOM 47 CB LEU A 11 4.653 -10.226 -11.080 1.00 19.22 C ATOM 48 CG LEU A 11 3.730 -11.081 -10.195 1.00 19.95 C ATOM 49 CD1 LEU A 11 2.365 -10.404 -10.049 1.00 18.58 C ATOM 50 CD2 LEU A 11 3.567 -12.468 -10.807 1.00 21.73 C ATOM 51 N LYS A 12 5.092 -8.699 -8.044 1.00 17.84 N ATOM 52 CA LYS A 12 5.649 -8.893 -6.716 1.00 20.50 C ATOM 53 C LYS A 12 4.598 -9.406 -5.740 1.00 21.22 C ATOM 54 O LYS A 12 3.428 -9.004 -5.789 1.00 22.31 O ATOM 55 CB LYS A 12 6.231 -7.575 -6.188 1.00 20.09 C ATOM 56 CG LYS A 12 7.530 -7.140 -6.845 1.00 20.31 C ATOM 57 CD LYS A 12 8.672 -8.077 -6.481 1.00 21.66 C ATOM 58 CE LYS A 12 9.921 -7.753 -7.284 1.00 17.99 C ATOM 59 NZ LYS A 12 11.037 -8.688 -6.964 1.00 20.32 N ATOM 60 N GLU A 13 5.028 -10.318 -4.873 1.00 22.01 N ATOM 61 CA GLU A 13 4.170 -10.892 -3.841 1.00 23.53 C ATOM 62 C GLU A 13 4.526 -10.151 -2.564 1.00 24.19 C ATOM 63 O GLU A 13 5.572 -10.406 -1.975 1.00 24.10 O ATOM 64 CB GLU A 13 4.470 -12.379 -3.651 1.00 26.16 C ATOM 65 CG GLU A 13 3.797 -13.305 -4.654 1.00 33.99 C ATOM 66 CD GLU A 13 2.403 -13.710 -4.216 1.00 37.69 C ATOM 67 OE1 GLU A 13 1.554 -12.815 -4.023 1.00 38.43 O ATOM 68 OE2 GLU A 13 2.158 -14.925 -4.055 1.00 40.70 O ATOM 69 N LEU A 14 3.665 -9.239 -2.133 1.00 22.77 N ATOM 70 CA LEU A 14 3.938 -8.455 -0.934 1.00 22.72 C ATOM 71 C LEU A 14 3.626 -9.196 0.365 1.00 21.51 C ATOM 72 O LEU A 14 2.547 -9.769 0.519 1.00 23.09 O ATOM 73 CB LEU A 14 3.142 -7.147 -0.982 1.00 22.65 C ATOM 74 CG LEU A 14 3.354 -6.300 -2.243 1.00 21.86 C ATOM 75 CD1 LEU A 14 2.407 -5.106 -2.226 1.00 25.24 C ATOM 76 CD2 LEU A 14 4.796 -5.833 -2.320 1.00 21.98 C ATOM 77 N ALA A 15 4.584 -9.183 1.289 1.00 19.65 N ATOM 78 CA ALA A 15 4.423 -9.827 2.594 1.00 19.22 C ATOM 79 C ALA A 15 4.009 -8.701 3.536 1.00 18.84 C ATOM 80 O ALA A 15 4.647 -7.652 3.568 1.00 18.69 O ATOM 81 CB ALA A 15 5.752 -10.446 3.047 1.00 19.26 C ATOM 82 N PRO A 16 2.943 -8.902 4.321 1.00 19.22 N ATOM 83 CA PRO A 16 2.486 -7.857 5.240 1.00 19.21 C ATOM 84 C PRO A 16 3.239 -7.787 6.557 1.00 19.33 C ATOM 85 O PRO A 16 3.625 -8.800 7.121 1.00 18.07 O ATOM 86 CB PRO A 16 1.025 -8.215 5.437 1.00 20.48 C ATOM 87 CG PRO A 16 1.095 -9.710 5.460 1.00 21.19 C ATOM 88 CD PRO A 16 2.037 -10.066 4.353 1.00 19.29 C ATOM 89 N VAL A 17 3.457 -6.570 7.039 1.00 18.24 N ATOM 90 CA VAL A 17 4.134 -6.344 8.314 1.00 16.91 C ATOM 91 C VAL A 17 3.267 -5.362 9.066 1.00 16.76 C ATOM 92 O VAL A 17 2.415 -4.733 8.465 1.00 16.88 O ATOM 93 CB VAL A 17 5.542 -5.739 8.135 1.00 15.83 C ATOM 94 CG1 VAL A 17 6.387 -6.650 7.270 1.00 17.19 C ATOM 95 CG2 VAL A 17 5.456 -4.369 7.529 1.00 15.56 C ATOM 96 N PRO A 18 3.450 -5.230 10.389 1.00 16.00 N ATOM 97 CA PRO A 18 2.651 -4.302 11.199 1.00 14.86 C ATOM 98 C PRO A 18 2.751 -2.858 10.745 1.00 13.64 C ATOM 99 O PRO A 18 3.792 -2.425 10.259 1.00 12.76 O ATOM 100 CB PRO A 18 3.223 -4.490 12.603 1.00 15.32 C ATOM 101 CG PRO A 18 3.702 -5.918 12.580 1.00 16.30 C ATOM 102 CD PRO A 18 4.384 -5.982 11.245 1.00 16.05 C ATOM 103 N ALA A 19 1.666 -2.110 10.923 1.00 13.82 N ATOM 104 CA ALA A 19 1.637 -0.695 10.545 1.00 13.34 C ATOM 105 C ALA A 19 0.696 0.085 11.420 1.00 13.73 C ATOM 106 O ALA A 19 -0.229 -0.478 12.012 1.00 15.33 O ATOM 107 CB ALA A 19 1.178 -0.524 9.105 1.00 12.59 C ATOM 108 N LEU A 20 0.953 1.382 11.519 1.00 15.04 N ATOM 109 CA LEU A 20 0.067 2.279 12.247 1.00 13.38 C ATOM 110 C LEU A 20 -0.534 3.059 11.088 1.00 14.15 C ATOM 111 O LEU A 20 0.200 3.611 10.274 1.00 13.42 O ATOM 112 CB LEU A 20 0.839 3.204 13.184 1.00 14.26 C ATOM 113 CG LEU A 20 1.112 2.645 14.581 1.00 15.52 C ATOM 114 CD1 LEU A 20 1.841 3.684 15.401 1.00 15.48 C ATOM 115 CD2 LEU A 20 -0.210 2.275 15.254 1.00 15.62 C ATOM 116 N LEU A 21 -1.860 3.111 11.021 1.00 14.49 N ATOM 117 CA LEU A 21 -2.527 3.759 9.900 1.00 16.29 C ATOM 118 C LEU A 21 -3.715 4.638 10.225 1.00 15.27 C ATOM 119 O LEU A 21 -4.244 4.628 11.332 1.00 13.57 O ATOM 120 CB LEU A 21 -3.039 2.686 8.945 1.00 21.20 C ATOM 121 CG LEU A 21 -2.113 1.517 8.635 1.00 22.18 C ATOM 122 CD1 LEU A 21 -2.907 0.247 8.378 1.00 23.66 C ATOM 123 CD2 LEU A 21 -1.261 1.896 7.467 1.00 24.01 C ATOM 124 N ILE A 22 -4.129 5.377 9.207 1.00 13.42 N ATOM 125 CA ILE A 22 -5.310 6.215 9.259 1.00 15.08 C ATOM 126 C ILE A 22 -6.032 5.764 7.998 1.00 15.14 C ATOM 127 O ILE A 22 -5.469 5.790 6.904 1.00 12.33 O ATOM 128 CB ILE A 22 -4.973 7.717 9.186 1.00 15.06 C ATOM 129 CG1 ILE A 22 -4.310 8.149 10.501 1.00 17.40 C ATOM 130 CG2 ILE A 22 -6.242 8.532 8.950 1.00 18.72 C ATOM 131 CD1 ILE A 22 -3.828 9.572 10.508 1.00 17.89 C ATOM 132 N ARG A 23 -7.256 5.283 8.168 1.00 14.56 N ATOM 133 CA ARG A 23 -8.054 4.821 7.039 1.00 15.17 C ATOM 134 C ARG A 23 -9.275 5.714 6.974 1.00 15.02 C ATOM 135 O ARG A 23 -10.089 5.723 7.900 1.00 16.07 O ATOM 136 CB ARG A 23 -8.503 3.382 7.257 1.00 14.48 C ATOM 137 CG ARG A 23 -7.375 2.376 7.351 1.00 18.83 C ATOM 138 CD ARG A 23 -7.920 1.064 7.825 1.00 20.44 C ATOM 139 NE ARG A 23 -6.924 0.004 7.862 1.00 23.30 N ATOM 140 CZ ARG A 23 -6.823 -0.877 8.850 1.00 21.08 C ATOM 141 NH1 ARG A 23 -7.653 -0.817 9.881 1.00 22.30 N ATOM 142 NH2 ARG A 23 -5.896 -1.820 8.805 1.00 24.67 N ATOM 143 N THR A 24 -9.412 6.457 5.884 1.00 16.69 N ATOM 144 CA THR A 24 -10.540 7.366 5.756 1.00 15.71 C ATOM 145 C THR A 24 -10.943 7.522 4.300 1.00 17.71 C ATOM 146 O THR A 24 -10.411 6.842 3.430 1.00 16.04 O ATOM 147 CB THR A 24 -10.156 8.746 6.350 1.00 15.74 C ATOM 148 OG1 THR A 24 -11.279 9.638 6.328 1.00 19.25 O ATOM 149 CG2 THR A 24 -9.004 9.358 5.548 1.00 18.61 C ATOM 150 N GLN A 25 -11.916 8.387 4.056 1.00 17.12 N ATOM 151 CA GLN A 25 -12.371 8.670 2.703 1.00 18.69 C ATOM 152 C GLN A 25 -12.133 10.164 2.562 1.00 18.63 C ATOM 153 O GLN A 25 -12.369 10.927 3.503 1.00 19.32 O ATOM 154 CB GLN A 25 -13.852 8.311 2.543 1.00 20.46 C ATOM 155 CG GLN A 25 -14.103 6.801 2.491 1.00 22.74 C ATOM 156 CD GLN A 25 -14.480 6.290 1.103 1.00 24.81 C ATOM 157 OE1 GLN A 25 -14.166 5.156 0.737 1.00 25.71 O ATOM 158 NE2 GLN A 25 -15.175 7.114 0.337 1.00 22.47 N ATOM 159 N THR A 26 -11.660 10.590 1.400 1.00 19.04 N ATOM 160 CA THR A 26 -11.373 12.001 1.221 1.00 17.83 C ATOM 161 C THR A 26 -11.569 12.450 -0.218 1.00 18.96 C ATOM 162 O THR A 26 -11.800 11.644 -1.112 1.00 17.29 O ATOM 163 CB THR A 26 -9.916 12.300 1.630 1.00 18.45 C ATOM 164 OG1 THR A 26 -9.702 13.716 1.669 1.00 20.42 O ATOM 165 CG2 THR A 26 -8.961 11.670 0.630 1.00 16.74 C ATOM 166 N THR A 27 -11.483 13.755 -0.426 1.00 20.57 N ATOM 167 CA THR A 27 -11.607 14.337 -1.753 1.00 22.14 C ATOM 168 C THR A 27 -10.239 14.947 -2.040 1.00 21.72 C ATOM 169 O THR A 27 -9.462 15.190 -1.125 1.00 18.92 O ATOM 170 CB THR A 27 -12.679 15.445 -1.792 1.00 24.82 C ATOM 171 OG1 THR A 27 -12.322 16.491 -0.881 1.00 31.65 O ATOM 172 CG2 THR A 27 -14.038 14.887 -1.404 1.00 28.93 C HETATM 173 N MSE A 28 -9.939 15.185 -3.311 1.00 19.33 N HETATM 174 CA MSE A 28 -8.648 15.749 -3.698 1.00 20.45 C HETATM 175 C MSE A 28 -8.261 17.039 -2.973 1.00 18.92 C HETATM 176 O MSE A 28 -7.108 17.213 -2.578 1.00 19.06 O HETATM 177 CB MSE A 28 -8.603 15.989 -5.212 1.00 22.54 C HETATM 178 CG MSE A 28 -8.206 14.780 -6.041 1.00 29.74 C HETATM 179 SE MSE A 28 -6.439 14.088 -5.617 1.00 35.01 HETATM 180 CE MSE A 28 -5.402 15.686 -5.939 1.00 33.44 C ATOM 181 N SER A 29 -9.215 17.947 -2.797 1.00 18.18 N ATOM 182 CA SER A 29 -8.917 19.218 -2.138 1.00 18.78 C ATOM 183 C SER A 29 -8.504 19.108 -0.668 1.00 19.73 C ATOM 184 O SER A 29 -7.873 20.023 -0.135 1.00 18.11 O ATOM 185 CB SER A 29 -10.114 20.171 -2.246 1.00 18.98 C ATOM 186 OG SER A 29 -11.254 19.643 -1.591 1.00 21.53 O ATOM 187 N GLU A 30 -8.847 17.998 -0.019 1.00 18.89 N ATOM 188 CA GLU A 30 -8.522 17.800 1.396 1.00 20.00 C ATOM 189 C GLU A 30 -7.310 16.888 1.614 1.00 18.51 C ATOM 190 O GLU A 30 -6.736 16.850 2.703 1.00 17.07 O ATOM 191 CB GLU A 30 -9.734 17.198 2.116 1.00 22.55 C ATOM 192 CG GLU A 30 -11.040 17.922 1.848 1.00 28.19 C ATOM 193 CD GLU A 30 -12.263 17.108 2.238 1.00 31.72 C ATOM 194 OE1 GLU A 30 -12.448 16.006 1.678 1.00 32.10 O ATOM 195 OE2 GLU A 30 -13.042 17.571 3.099 1.00 35.45 O ATOM 196 N LEU A 31 -6.913 16.165 0.574 1.00 17.12 N ATOM 197 CA LEU A 31 -5.802 15.221 0.668 1.00 16.54 C ATOM 198 C LEU A 31 -4.502 15.762 1.253 1.00 16.29 C ATOM 199 O LEU A 31 -3.898 15.133 2.113 1.00 14.49 O ATOM 200 CB LEU A 31 -5.514 14.607 -0.703 1.00 16.22 C ATOM 201 CG LEU A 31 -4.481 13.475 -0.676 1.00 17.18 C ATOM 202 CD1 LEU A 31 -5.026 12.321 0.168 1.00 19.39 C ATOM 203 CD2 LEU A 31 -4.184 12.995 -2.088 1.00 18.16 C ATOM 204 N GLY A 32 -4.068 16.919 0.769 1.00 14.14 N ATOM 205 CA GLY A 32 -2.833 17.504 1.254 1.00 16.92 C ATOM 206 C GLY A 32 -2.819 17.703 2.755 1.00 16.14 C ATOM 207 O GLY A 32 -1.898 17.257 3.432 1.00 16.07 O ATOM 208 N SER A 33 -3.847 18.370 3.269 1.00 16.25 N ATOM 209 CA SER A 33 -3.961 18.653 4.699 1.00 18.78 C ATOM 210 C SER A 33 -4.151 17.378 5.504 1.00 16.97 C ATOM 211 O SER A 33 -3.735 17.297 6.653 1.00 16.78 O ATOM 212 CB SER A 33 -5.140 19.602 4.966 1.00 19.94 C ATOM 213 OG SER A 33 -4.966 20.829 4.278 1.00 27.29 O ATOM 214 N LEU A 34 -4.792 16.392 4.893 1.00 16.55 N ATOM 215 CA LEU A 34 -5.037 15.118 5.557 1.00 15.66 C ATOM 216 C LEU A 34 -3.712 14.420 5.833 1.00 14.29 C ATOM 217 O LEU A 34 -3.458 13.987 6.956 1.00 14.39 O ATOM 218 CB LEU A 34 -5.926 14.231 4.677 1.00 15.97 C ATOM 219 CG LEU A 34 -6.129 12.791 5.154 1.00 18.76 C ATOM 220 CD1 LEU A 34 -6.796 12.801 6.506 1.00 21.22 C ATOM 221 CD2 LEU A 34 -6.977 12.021 4.147 1.00 16.10 C ATOM 222 N PHE A 35 -2.868 14.332 4.805 1.00 13.65 N ATOM 223 CA PHE A 35 -1.560 13.688 4.935 1.00 15.45 C ATOM 224 C PHE A 35 -0.671 14.433 5.923 1.00 16.64 C ATOM 225 O PHE A 35 -0.021 13.832 6.779 1.00 15.18 O ATOM 226 CB PHE A 35 -0.830 13.620 3.590 1.00 15.39 C ATOM 227 CG PHE A 35 -1.280 12.490 2.691 1.00 13.97 C ATOM 228 CD1 PHE A 35 -1.882 11.338 3.205 1.00 14.72 C ATOM 229 CD2 PHE A 35 -1.048 12.563 1.322 1.00 16.37 C ATOM 230 CE1 PHE A 35 -2.225 10.277 2.363 1.00 17.35 C ATOM 231 CE2 PHE A 35 -1.388 11.503 0.469 1.00 15.20 C ATOM 232 CZ PHE A 35 -1.981 10.365 0.988 1.00 13.67 C ATOM 233 N GLU A 36 -0.663 15.755 5.812 1.00 18.25 N ATOM 234 CA GLU A 36 0.160 16.570 6.693 1.00 19.75 C ATOM 235 C GLU A 36 -0.118 16.285 8.160 1.00 19.19 C ATOM 236 O GLU A 36 0.793 15.971 8.924 1.00 17.17 O ATOM 237 CB GLU A 36 -0.084 18.051 6.416 1.00 23.30 C ATOM 238 CG GLU A 36 0.878 18.975 7.128 1.00 29.10 C ATOM 239 CD GLU A 36 0.739 20.408 6.673 1.00 32.33 C ATOM 240 OE1 GLU A 36 0.815 20.647 5.449 1.00 34.24 O ATOM 241 OE2 GLU A 36 0.559 21.291 7.537 1.00 34.54 O ATOM 242 N ALA A 37 -1.381 16.404 8.544 1.00 15.69 N ATOM 243 CA ALA A 37 -1.789 16.173 9.921 1.00 16.10 C ATOM 244 C ALA A 37 -1.711 14.708 10.343 1.00 14.48 C ATOM 245 O ALA A 37 -1.270 14.399 11.451 1.00 12.96 O ATOM 246 CB ALA A 37 -3.218 16.698 10.131 1.00 14.76 C ATOM 247 N GLY A 38 -2.140 13.805 9.466 1.00 14.24 N ATOM 248 CA GLY A 38 -2.140 12.390 9.798 1.00 14.60 C ATOM 249 C GLY A 38 -0.772 11.742 9.969 1.00 14.72 C ATOM 250 O GLY A 38 -0.577 10.981 10.908 1.00 15.80 O ATOM 251 N TYR A 39 0.171 12.005 9.068 1.00 14.60 N ATOM 252 CA TYR A 39 1.510 11.422 9.219 1.00 14.47 C ATOM 253 C TYR A 39 2.166 11.979 10.486 1.00 15.65 C ATOM 254 O TYR A 39 2.933 11.290 11.164 1.00 17.78 O ATOM 255 CB TYR A 39 2.385 11.740 8.000 1.00 16.91 C ATOM 256 CG TYR A 39 2.110 10.847 6.794 1.00 12.76 C ATOM 257 CD1 TYR A 39 2.249 9.462 6.874 1.00 13.01 C ATOM 258 CD2 TYR A 39 1.762 11.393 5.559 1.00 15.53 C ATOM 259 CE1 TYR A 39 2.050 8.642 5.749 1.00 14.61 C ATOM 260 CE2 TYR A 39 1.561 10.587 4.439 1.00 14.76 C ATOM 261 CZ TYR A 39 1.712 9.215 4.539 1.00 15.47 C ATOM 262 OH TYR A 39 1.547 8.407 3.438 1.00 15.83 O ATOM 263 N HIS A 40 1.871 13.235 10.799 1.00 15.90 N ATOM 264 CA HIS A 40 2.425 13.843 12.002 1.00 17.36 C ATOM 265 C HIS A 40 1.837 13.137 13.221 1.00 15.86 C ATOM 266 O HIS A 40 2.555 12.825 14.178 1.00 16.50 O ATOM 267 CB HIS A 40 2.098 15.337 12.053 1.00 19.32 C ATOM 268 CG HIS A 40 2.559 16.011 13.308 1.00 24.65 C ATOM 269 ND1 HIS A 40 1.810 16.031 14.462 1.00 28.18 N ATOM 270 CD2 HIS A 40 3.720 16.650 13.601 1.00 26.12 C ATOM 271 CE1 HIS A 40 2.486 16.653 15.417 1.00 27.34 C ATOM 272 NE2 HIS A 40 3.648 17.035 14.914 1.00 27.63 N ATOM 273 N ASP A 41 0.526 12.899 13.179 1.00 15.79 N ATOM 274 CA ASP A 41 -0.195 12.213 14.256 1.00 13.94 C ATOM 275 C ASP A 41 0.517 10.889 14.558 1.00 14.21 C ATOM 276 O ASP A 41 0.932 10.636 15.677 1.00 14.08 O ATOM 277 CB ASP A 41 -1.639 11.935 13.811 1.00 15.42 C ATOM 278 CG ASP A 41 -2.524 11.414 14.930 1.00 14.41 C ATOM 279 OD1 ASP A 41 -1.996 10.921 15.942 1.00 16.21 O ATOM 280 OD2 ASP A 41 -3.766 11.489 14.792 1.00 19.10 O ATOM 281 N ILE A 42 0.663 10.055 13.533 1.00 11.82 N ATOM 282 CA ILE A 42 1.319 8.755 13.660 1.00 13.22 C ATOM 283 C ILE A 42 2.715 8.885 14.251 1.00 12.89 C ATOM 284 O ILE A 42 3.073 8.150 15.160 1.00 13.87 O ATOM 285 CB ILE A 42 1.418 8.051 12.283 1.00 12.73 C ATOM 286 CG1 ILE A 42 0.011 7.777 11.744 1.00 12.60 C ATOM 287 CG2 ILE A 42 2.175 6.731 12.410 1.00 12.84 C ATOM 288 CD1 ILE A 42 -0.030 7.339 10.283 1.00 14.65 C ATOM 289 N LEU A 43 3.493 9.835 13.748 1.00 12.75 N ATOM 290 CA LEU A 43 4.849 10.035 14.251 1.00 14.08 C ATOM 291 C LEU A 43 4.889 10.462 15.719 1.00 14.26 C ATOM 292 O LEU A 43 5.715 9.964 16.506 1.00 11.80 O ATOM 293 CB LEU A 43 5.573 11.080 13.400 1.00 15.27 C ATOM 294 CG LEU A 43 5.968 10.585 12.005 1.00 17.07 C ATOM 295 CD1 LEU A 43 6.491 11.730 11.179 1.00 19.23 C ATOM 296 CD2 LEU A 43 7.017 9.490 12.140 1.00 17.11 C ATOM 297 N GLN A 44 4.001 11.378 16.096 1.00 15.18 N ATOM 298 CA GLN A 44 3.994 11.849 17.473 1.00 18.06 C ATOM 299 C GLN A 44 3.501 10.745 18.402 1.00 16.72 C ATOM 300 O GLN A 44 3.951 10.634 19.544 1.00 16.75 O ATOM 301 CB GLN A 44 3.136 13.116 17.615 1.00 19.15 C ATOM 302 CG GLN A 44 1.634 12.951 17.396 1.00 22.71 C ATOM 303 CD GLN A 44 0.926 12.350 18.590 1.00 25.64 C ATOM 304 OE1 GLN A 44 1.343 12.535 19.737 1.00 28.39 O ATOM 305 NE2 GLN A 44 -0.162 11.641 18.332 1.00 22.89 N ATOM 306 N LEU A 45 2.578 9.925 17.907 1.00 16.45 N ATOM 307 CA LEU A 45 2.060 8.814 18.695 1.00 16.21 C ATOM 308 C LEU A 45 3.208 7.850 18.988 1.00 16.17 C ATOM 309 O LEU A 45 3.342 7.359 20.106 1.00 14.80 O ATOM 310 CB LEU A 45 0.949 8.092 17.927 1.00 16.96 C ATOM 311 CG LEU A 45 0.301 6.889 18.608 1.00 17.88 C ATOM 312 CD1 LEU A 45 -0.354 7.342 19.920 1.00 20.66 C ATOM 313 CD2 LEU A 45 -0.721 6.279 17.688 1.00 20.96 C ATOM 314 N LEU A 46 4.024 7.574 17.974 1.00 16.24 N ATOM 315 CA LEU A 46 5.154 6.676 18.154 1.00 15.63 C ATOM 316 C LEU A 46 6.161 7.292 19.116 1.00 15.70 C ATOM 317 O LEU A 46 6.629 6.619 20.039 1.00 16.20 O ATOM 318 CB LEU A 46 5.817 6.369 16.807 1.00 15.73 C ATOM 319 CG LEU A 46 5.017 5.445 15.879 1.00 14.93 C ATOM 320 CD1 LEU A 46 5.597 5.486 14.477 1.00 12.91 C ATOM 321 CD2 LEU A 46 5.045 4.025 16.425 1.00 16.01 C ATOM 322 N ALA A 47 6.480 8.566 18.904 1.00 13.09 N ATOM 323 CA ALA A 47 7.424 9.277 19.763 1.00 14.47 C ATOM 324 C ALA A 47 6.969 9.240 21.217 1.00 15.25 C ATOM 325 O ALA A 47 7.772 9.029 22.126 1.00 15.61 O ATOM 326 CB ALA A 47 7.582 10.730 19.295 1.00 16.28 C ATOM 327 N GLY A 48 5.674 9.444 21.428 1.00 15.77 N ATOM 328 CA GLY A 48 5.134 9.422 22.776 1.00 18.59 C ATOM 329 C GLY A 48 5.347 8.083 23.463 1.00 19.39 C ATOM 330 O GLY A 48 5.410 8.003 24.686 1.00 19.23 O ATOM 331 N GLN A 49 5.446 7.022 22.670 1.00 20.37 N ATOM 332 CA GLN A 49 5.656 5.678 23.202 1.00 22.90 C ATOM 333 C GLN A 49 7.134 5.312 23.161 1.00 23.49 C ATOM 334 O GLN A 49 7.504 4.158 23.417 1.00 24.56 O ATOM 335 CB GLN A 49 4.842 4.661 22.392 1.00 22.86 C ATOM 336 CG GLN A 49 3.341 4.899 22.462 1.00 27.57 C ATOM 337 CD GLN A 49 2.549 3.996 21.544 1.00 28.99 C ATOM 338 OE1 GLN A 49 2.640 2.773 21.627 1.00 30.03 O ATOM 339 NE2 GLN A 49 1.760 4.594 20.661 1.00 28.60 N ATOM 340 N GLY A 50 7.973 6.296 22.849 1.00 23.44 N ATOM 341 CA GLY A 50 9.404 6.064 22.776 1.00 24.68 C ATOM 342 C GLY A 50 9.818 5.197 21.600 1.00 26.31 C ATOM 343 O GLY A 50 10.861 4.538 21.639 1.00 25.53 O ATOM 344 N LYS A 51 9.004 5.195 20.547 1.00 25.04 N ATOM 345 CA LYS A 51 9.300 4.398 19.360 1.00 25.96 C ATOM 346 C LYS A 51 9.352 5.227 18.078 1.00 24.74 C ATOM 347 O LYS A 51 9.107 6.432 18.086 1.00 23.83 O ATOM 348 CB LYS A 51 8.257 3.288 19.188 1.00 26.68 C ATOM 349 CG LYS A 51 8.336 2.180 20.229 1.00 29.79 C ATOM 350 CD LYS A 51 7.073 2.125 21.071 1.00 30.64 C ATOM 351 CE LYS A 51 7.209 1.100 22.197 1.00 32.35 C ATOM 352 NZ LYS A 51 6.061 1.175 23.137 1.00 34.07 N ATOM 353 N SER A 52 9.674 4.562 16.973 1.00 25.13 N ATOM 354 CA SER A 52 9.745 5.219 15.676 1.00 24.48 C ATOM 355 C SER A 52 9.301 4.229 14.604 1.00 22.09 C ATOM 356 O SER A 52 9.204 3.027 14.867 1.00 19.58 O ATOM 357 CB SER A 52 11.177 5.691 15.388 1.00 27.19 C ATOM 358 OG SER A 52 12.082 4.604 15.411 1.00 32.86 O ATOM 359 N PRO A 53 9.027 4.719 13.385 1.00 19.95 N ATOM 360 CA PRO A 53 8.597 3.831 12.304 1.00 18.51 C ATOM 361 C PRO A 53 9.723 2.858 11.970 1.00 19.12 C ATOM 362 O PRO A 53 10.881 3.109 12.300 1.00 18.76 O ATOM 363 CB PRO A 53 8.319 4.794 11.150 1.00 19.53 C ATOM 364 CG PRO A 53 7.994 6.078 11.830 1.00 21.28 C ATOM 365 CD PRO A 53 9.016 6.120 12.939 1.00 19.80 C ATOM 366 N SER A 54 9.391 1.752 11.316 1.00 18.05 N ATOM 367 CA SER A 54 10.393 0.760 10.942 1.00 20.89 C ATOM 368 C SER A 54 10.534 0.682 9.426 1.00 21.59 C ATOM 369 O SER A 54 11.278 -0.143 8.902 1.00 23.47 O ATOM 370 CB SER A 54 10.012 -0.614 11.502 1.00 21.86 C ATOM 371 OG SER A 54 8.724 -0.994 11.053 1.00 26.62 O ATOM 372 N GLY A 55 9.815 1.557 8.732 1.00 21.46 N ATOM 373 CA GLY A 55 9.857 1.572 7.282 1.00 19.89 C ATOM 374 C GLY A 55 9.389 2.902 6.723 1.00 18.37 C ATOM 375 O GLY A 55 8.914 3.755 7.465 1.00 17.91 O ATOM 376 N PRO A 56 9.525 3.119 5.410 1.00 18.17 N ATOM 377 CA PRO A 56 9.102 4.371 4.780 1.00 17.42 C ATOM 378 C PRO A 56 7.579 4.535 4.749 1.00 15.83 C ATOM 379 O PRO A 56 6.837 3.552 4.740 1.00 15.91 O ATOM 380 CB PRO A 56 9.703 4.266 3.389 1.00 17.48 C ATOM 381 CG PRO A 56 9.627 2.821 3.116 1.00 17.83 C ATOM 382 CD PRO A 56 10.090 2.196 4.413 1.00 16.95 C ATOM 383 N PRO A 57 7.100 5.787 4.752 1.00 14.69 N ATOM 384 CA PRO A 57 5.666 6.076 4.725 1.00 15.46 C ATOM 385 C PRO A 57 5.022 5.621 3.422 1.00 14.92 C ATOM 386 O PRO A 57 5.677 5.551 2.381 1.00 14.24 O ATOM 387 CB PRO A 57 5.623 7.591 4.911 1.00 14.95 C ATOM 388 CG PRO A 57 6.880 8.049 4.251 1.00 16.91 C ATOM 389 CD PRO A 57 7.884 7.035 4.736 1.00 14.20 C ATOM 390 N PHE A 58 3.733 5.305 3.489 1.00 13.89 N ATOM 391 CA PHE A 58 3.013 4.857 2.304 1.00 12.22 C ATOM 392 C PHE A 58 1.557 5.262 2.336 1.00 11.00 C ATOM 393 O PHE A 58 1.056 5.737 3.350 1.00 12.73 O ATOM 394 CB PHE A 58 3.091 3.337 2.178 1.00 10.93 C ATOM 395 CG PHE A 58 2.381 2.618 3.269 1.00 12.19 C ATOM 396 CD1 PHE A 58 1.027 2.325 3.144 1.00 13.50 C ATOM 397 CD2 PHE A 58 3.039 2.300 4.451 1.00 14.44 C ATOM 398 CE1 PHE A 58 0.335 1.730 4.178 1.00 15.93 C ATOM 399 CE2 PHE A 58 2.345 1.698 5.505 1.00 14.97 C ATOM 400 CZ PHE A 58 0.994 1.414 5.366 1.00 15.25 C ATOM 401 N ALA A 59 0.891 5.076 1.209 1.00 11.05 N ATOM 402 CA ALA A 59 -0.522 5.375 1.097 1.00 11.01 C ATOM 403 C ALA A 59 -1.147 4.398 0.108 1.00 12.64 C ATOM 404 O ALA A 59 -0.520 4.008 -0.877 1.00 13.78 O ATOM 405 CB ALA A 59 -0.729 6.821 0.627 1.00 11.27 C ATOM 406 N ARG A 60 -2.362 3.960 0.417 1.00 10.13 N ATOM 407 CA ARG A 60 -3.138 3.063 -0.439 1.00 13.17 C ATOM 408 C ARG A 60 -4.333 3.888 -0.917 1.00 13.81 C ATOM 409 O ARG A 60 -5.031 4.482 -0.097 1.00 14.14 O ATOM 410 CB ARG A 60 -3.653 1.868 0.364 1.00 15.02 C ATOM 411 CG ARG A 60 -2.550 1.078 1.076 1.00 18.04 C ATOM 412 CD ARG A 60 -3.108 -0.061 1.917 1.00 18.10 C ATOM 413 NE ARG A 60 -3.813 -1.052 1.109 1.00 18.32 N ATOM 414 CZ ARG A 60 -3.988 -2.321 1.465 1.00 20.75 C ATOM 415 NH1 ARG A 60 -3.505 -2.749 2.626 1.00 22.30 N ATOM 416 NH2 ARG A 60 -4.629 -3.158 0.654 1.00 20.00 N ATOM 417 N TYR A 61 -4.578 3.906 -2.225 1.00 14.47 N ATOM 418 CA TYR A 61 -5.687 4.666 -2.813 1.00 13.97 C ATOM 419 C TYR A 61 -6.682 3.739 -3.493 1.00 15.08 C ATOM 420 O TYR A 61 -6.291 2.827 -4.225 1.00 15.68 O ATOM 421 CB TYR A 61 -5.159 5.650 -3.854 1.00 15.35 C ATOM 422 CG TYR A 61 -4.146 6.631 -3.329 1.00 16.00 C ATOM 423 CD1 TYR A 61 -4.536 7.791 -2.660 1.00 15.71 C ATOM 424 CD2 TYR A 61 -2.789 6.398 -3.508 1.00 17.67 C ATOM 425 CE1 TYR A 61 -3.582 8.699 -2.185 1.00 15.09 C ATOM 426 CE2 TYR A 61 -1.841 7.285 -3.038 1.00 17.56 C ATOM 427 CZ TYR A 61 -2.238 8.435 -2.381 1.00 16.07 C ATOM 428 OH TYR A 61 -1.288 9.312 -1.920 1.00 18.33 O ATOM 429 N PHE A 62 -7.970 4.010 -3.294 1.00 16.93 N ATOM 430 CA PHE A 62 -9.025 3.180 -3.869 1.00 19.55 C ATOM 431 C PHE A 62 -10.248 4.039 -4.198 1.00 20.56 C ATOM 432 O PHE A 62 -10.819 4.664 -3.309 1.00 20.99 O ATOM 433 CB PHE A 62 -9.390 2.100 -2.839 1.00 19.69 C ATOM 434 CG PHE A 62 -9.659 0.745 -3.424 1.00 21.49 C ATOM 435 CD1 PHE A 62 -9.562 -0.389 -2.622 1.00 22.83 C ATOM 436 CD2 PHE A 62 -10.021 0.590 -4.757 1.00 21.07 C ATOM 437 CE1 PHE A 62 -9.826 -1.652 -3.136 1.00 22.34 C ATOM 438 CE2 PHE A 62 -10.289 -0.674 -5.286 1.00 23.64 C ATOM 439 CZ PHE A 62 -10.190 -1.799 -4.476 1.00 22.94 C ATOM 440 N GLY A 63 -10.640 4.073 -5.468 1.00 21.80 N ATOM 441 CA GLY A 63 -11.794 4.867 -5.869 1.00 21.52 C ATOM 442 C GLY A 63 -11.442 5.884 -6.937 1.00 22.16 C ATOM 443 O GLY A 63 -10.346 5.834 -7.504 1.00 23.21 O HETATM 444 N MSE A 64 -12.351 6.813 -7.216 1.00 21.56 N HETATM 445 CA MSE A 64 -12.101 7.825 -8.235 1.00 23.78 C HETATM 446 C MSE A 64 -11.606 9.139 -7.653 1.00 23.91 C HETATM 447 O MSE A 64 -12.223 9.700 -6.747 1.00 22.66 O HETATM 448 CB MSE A 64 -13.364 8.080 -9.052 1.00 25.58 C HETATM 449 CG MSE A 64 -13.858 6.875 -9.804 1.00 28.72 C HETATM 450 SE MSE A 64 -15.257 7.356 -11.021 1.00 38.37 HETATM 451 CE MSE A 64 -14.209 7.764 -12.558 1.00 27.24 C ATOM 452 N SER A 65 -10.489 9.627 -8.190 1.00 23.51 N ATOM 453 CA SER A 65 -9.912 10.881 -7.730 1.00 23.67 C ATOM 454 C SER A 65 -10.905 12.019 -7.934 1.00 23.27 C ATOM 455 O SER A 65 -10.835 13.038 -7.255 1.00 23.04 O ATOM 456 CB SER A 65 -8.625 11.187 -8.504 1.00 24.24 C ATOM 457 OG SER A 65 -8.903 11.456 -9.867 1.00 25.10 O ATOM 458 N ALA A 66 -11.830 11.834 -8.869 1.00 23.53 N ATOM 459 CA ALA A 66 -12.834 12.843 -9.180 1.00 23.92 C ATOM 460 C ALA A 66 -13.866 13.033 -8.065 1.00 24.64 C ATOM 461 O ALA A 66 -14.506 14.074 -7.978 1.00 24.54 O ATOM 462 CB ALA A 66 -13.536 12.477 -10.492 1.00 25.68 C ATOM 463 N GLY A 67 -14.037 12.029 -7.216 1.00 22.75 N ATOM 464 CA GLY A 67 -15.004 12.149 -6.140 1.00 23.21 C ATOM 465 C GLY A 67 -14.385 11.892 -4.782 1.00 22.41 C ATOM 466 O GLY A 67 -13.294 12.372 -4.488 1.00 22.56 O ATOM 467 N THR A 68 -15.104 11.157 -3.942 1.00 20.41 N ATOM 468 CA THR A 68 -14.615 10.812 -2.611 1.00 19.73 C ATOM 469 C THR A 68 -13.998 9.434 -2.752 1.00 19.11 C ATOM 470 O THR A 68 -14.670 8.500 -3.181 1.00 18.72 O ATOM 471 CB THR A 68 -15.772 10.744 -1.592 1.00 20.67 C ATOM 472 OG1 THR A 68 -16.476 11.988 -1.582 1.00 20.62 O ATOM 473 CG2 THR A 68 -15.246 10.450 -0.205 1.00 22.03 C ATOM 474 N PHE A 69 -12.723 9.308 -2.401 1.00 15.79 N ATOM 475 CA PHE A 69 -12.035 8.040 -2.518 1.00 15.04 C ATOM 476 C PHE A 69 -11.401 7.562 -1.220 1.00 15.58 C ATOM 477 O PHE A 69 -11.124 8.342 -0.307 1.00 14.70 O ATOM 478 CB PHE A 69 -10.976 8.140 -3.618 1.00 16.55 C ATOM 479 CG PHE A 69 -10.021 9.283 -3.431 1.00 15.28 C ATOM 480 CD1 PHE A 69 -8.873 9.119 -2.679 1.00 14.78 C ATOM 481 CD2 PHE A 69 -10.273 10.522 -4.006 1.00 15.39 C ATOM 482 CE1 PHE A 69 -7.973 10.159 -2.491 1.00 16.68 C ATOM 483 CE2 PHE A 69 -9.369 11.586 -3.826 1.00 15.66 C ATOM 484 CZ PHE A 69 -8.215 11.396 -3.064 1.00 16.89 C ATOM 485 N GLU A 70 -11.192 6.258 -1.133 1.00 14.35 N ATOM 486 CA GLU A 70 -10.583 5.669 0.048 1.00 15.15 C ATOM 487 C GLU A 70 -9.081 5.931 0.042 1.00 13.43 C ATOM 488 O GLU A 70 -8.425 5.819 -0.993 1.00 13.46 O ATOM 489 CB GLU A 70 -10.827 4.159 0.056 1.00 15.47 C ATOM 490 CG GLU A 70 -10.280 3.404 1.254 1.00 18.03 C ATOM 491 CD GLU A 70 -11.131 3.569 2.495 1.00 18.73 C ATOM 492 OE1 GLU A 70 -12.323 3.898 2.360 1.00 18.61 O ATOM 493 OE2 GLU A 70 -10.619 3.344 3.608 1.00 19.03 O ATOM 494 N VAL A 71 -8.543 6.291 1.202 1.00 13.74 N ATOM 495 CA VAL A 71 -7.108 6.512 1.344 1.00 13.29 C ATOM 496 C VAL A 71 -6.719 5.967 2.716 1.00 12.87 C ATOM 497 O VAL A 71 -7.303 6.335 3.729 1.00 14.10 O ATOM 498 CB VAL A 71 -6.740 8.011 1.234 1.00 14.95 C ATOM 499 CG1 VAL A 71 -7.466 8.821 2.302 1.00 15.76 C ATOM 500 CG2 VAL A 71 -5.228 8.186 1.346 1.00 14.52 C ATOM 501 N GLU A 72 -5.754 5.057 2.731 1.00 12.74 N ATOM 502 CA GLU A 72 -5.295 4.432 3.969 1.00 12.42 C ATOM 503 C GLU A 72 -3.785 4.638 3.956 1.00 14.45 C ATOM 504 O GLU A 72 -3.090 4.168 3.054 1.00 13.60 O ATOM 505 CB GLU A 72 -5.682 2.946 3.964 1.00 15.68 C ATOM 506 CG GLU A 72 -7.131 2.752 3.550 1.00 14.31 C ATOM 507 CD GLU A 72 -7.655 1.339 3.689 1.00 16.24 C ATOM 508 OE1 GLU A 72 -6.845 0.389 3.769 1.00 17.64 O ATOM 509 OE2 GLU A 72 -8.899 1.197 3.695 1.00 15.92 O ATOM 510 N PHE A 73 -3.282 5.347 4.961 1.00 13.57 N ATOM 511 CA PHE A 73 -1.872 5.680 4.981 1.00 14.22 C ATOM 512 C PHE A 73 -1.220 5.620 6.348 1.00 12.98 C ATOM 513 O PHE A 73 -1.886 5.699 7.380 1.00 13.56 O ATOM 514 CB PHE A 73 -1.692 7.083 4.405 1.00 12.09 C ATOM 515 CG PHE A 73 -2.338 8.166 5.236 1.00 14.56 C ATOM 516 CD1 PHE A 73 -1.569 9.021 5.998 1.00 12.06 C ATOM 517 CD2 PHE A 73 -3.721 8.334 5.241 1.00 13.47 C ATOM 518 CE1 PHE A 73 -2.151 10.018 6.738 1.00 13.86 C ATOM 519 CE2 PHE A 73 -4.319 9.353 6.003 1.00 15.31 C ATOM 520 CZ PHE A 73 -3.523 10.193 6.748 1.00 13.39 C ATOM 521 N GLY A 74 0.102 5.489 6.335 1.00 13.31 N ATOM 522 CA GLY A 74 0.836 5.415 7.581 1.00 12.32 C ATOM 523 C GLY A 74 2.261 4.947 7.424 1.00 11.70 C ATOM 524 O GLY A 74 2.880 5.126 6.372 1.00 11.53 O ATOM 525 N PHE A 75 2.784 4.373 8.496 1.00 12.66 N ATOM 526 CA PHE A 75 4.144 3.877 8.530 1.00 11.93 C ATOM 527 C PHE A 75 4.184 2.442 9.022 1.00 13.77 C ATOM 528 O PHE A 75 3.383 2.044 9.867 1.00 13.06 O ATOM 529 CB PHE A 75 5.003 4.668 9.531 1.00 13.76 C ATOM 530 CG PHE A 75 5.271 6.106 9.160 1.00 14.72 C ATOM 531 CD1 PHE A 75 6.398 6.444 8.412 1.00 15.74 C ATOM 532 CD2 PHE A 75 4.451 7.126 9.622 1.00 15.22 C ATOM 533 CE1 PHE A 75 6.709 7.762 8.131 1.00 16.52 C ATOM 534 CE2 PHE A 75 4.761 8.456 9.343 1.00 15.45 C ATOM 535 CZ PHE A 75 5.897 8.766 8.592 1.00 15.29 C ATOM 536 N PRO A 76 5.122 1.644 8.492 1.00 14.79 N ATOM 537 CA PRO A 76 5.235 0.262 8.949 1.00 14.71 C ATOM 538 C PRO A 76 5.872 0.432 10.319 1.00 15.49 C ATOM 539 O PRO A 76 6.611 1.394 10.526 1.00 13.95 O ATOM 540 CB PRO A 76 6.219 -0.350 7.956 1.00 16.09 C ATOM 541 CG PRO A 76 5.994 0.425 6.713 1.00 18.54 C ATOM 542 CD PRO A 76 5.872 1.829 7.238 1.00 13.45 C ATOM 543 N VAL A 77 5.591 -0.475 11.245 1.00 15.29 N ATOM 544 CA VAL A 77 6.160 -0.376 12.584 1.00 16.89 C ATOM 545 C VAL A 77 6.618 -1.752 13.037 1.00 19.18 C ATOM 546 O VAL A 77 6.197 -2.764 12.491 1.00 18.17 O ATOM 547 CB VAL A 77 5.128 0.188 13.603 1.00 15.41 C ATOM 548 CG1 VAL A 77 4.717 1.595 13.201 1.00 17.31 C ATOM 549 CG2 VAL A 77 3.907 -0.721 13.677 1.00 14.93 C ATOM 550 N GLU A 78 7.489 -1.786 14.036 1.00 22.79 N ATOM 551 CA GLU A 78 7.991 -3.057 14.532 1.00 26.10 C ATOM 552 C GLU A 78 6.886 -3.869 15.197 1.00 26.78 C ATOM 553 O GLU A 78 6.992 -5.088 15.322 1.00 27.02 O ATOM 554 CB GLU A 78 9.142 -2.812 15.511 1.00 28.88 C ATOM 555 CG GLU A 78 8.835 -1.771 16.572 1.00 33.44 C ATOM 556 CD GLU A 78 10.044 -1.442 17.429 1.00 36.65 C ATOM 557 OE1 GLU A 78 9.905 -0.636 18.372 1.00 39.38 O ATOM 558 OE2 GLU A 78 11.135 -1.989 17.162 1.00 35.71 O ATOM 559 N GLY A 79 5.823 -3.188 15.613 1.00 28.12 N ATOM 560 CA GLY A 79 4.721 -3.874 16.260 1.00 30.14 C ATOM 561 C GLY A 79 4.788 -3.679 17.762 1.00 31.52 C ATOM 562 O GLY A 79 5.787 -3.200 18.279 1.00 31.60 O ATOM 563 N GLY A 80 3.723 -4.051 18.463 1.00 31.81 N ATOM 564 CA GLY A 80 3.703 -3.888 19.904 1.00 32.53 C ATOM 565 C GLY A 80 3.317 -2.471 20.277 1.00 32.18 C ATOM 566 O GLY A 80 3.237 -2.127 21.455 1.00 33.45 O ATOM 567 N VAL A 81 3.087 -1.648 19.259 1.00 31.77 N ATOM 568 CA VAL A 81 2.697 -0.260 19.462 1.00 30.92 C ATOM 569 C VAL A 81 1.171 -0.196 19.475 1.00 31.16 C ATOM 570 O VAL A 81 0.512 -1.010 18.831 1.00 31.03 O ATOM 571 CB VAL A 81 3.229 0.631 18.318 1.00 31.31 C ATOM 572 CG1 VAL A 81 2.871 2.078 18.575 1.00 33.65 C ATOM 573 CG2 VAL A 81 4.736 0.466 18.187 1.00 34.27 C ATOM 574 N GLU A 82 0.609 0.767 20.197 1.00 30.46 N ATOM 575 CA GLU A 82 -0.837 0.894 20.257 1.00 30.77 C ATOM 576 C GLU A 82 -1.367 2.115 19.525 1.00 28.77 C ATOM 577 O GLU A 82 -0.729 3.171 19.494 1.00 28.17 O ATOM 578 CB GLU A 82 -1.315 0.936 21.709 1.00 34.35 C ATOM 579 CG GLU A 82 -1.223 -0.399 22.430 1.00 39.17 C ATOM 580 CD GLU A 82 -1.998 -0.411 23.734 1.00 41.95 C ATOM 581 OE1 GLU A 82 -1.985 -1.448 24.429 1.00 43.86 O ATOM 582 OE2 GLU A 82 -2.626 0.618 24.066 1.00 44.71 O ATOM 583 N GLY A 83 -2.542 1.950 18.929 1.00 26.38 N ATOM 584 CA GLY A 83 -3.166 3.041 18.213 1.00 25.53 C ATOM 585 C GLY A 83 -3.852 3.972 19.194 1.00 24.30 C ATOM 586 O GLY A 83 -3.923 3.685 20.391 1.00 24.14 O ATOM 587 N SER A 84 -4.346 5.094 18.691 1.00 20.26 N ATOM 588 CA SER A 84 -5.027 6.065 19.532 1.00 19.99 C ATOM 589 C SER A 84 -5.734 7.053 18.637 1.00 18.22 C ATOM 590 O SER A 84 -5.199 7.453 17.611 1.00 17.05 O ATOM 591 CB SER A 84 -4.025 6.801 20.429 1.00 21.51 C ATOM 592 OG SER A 84 -4.683 7.774 21.218 1.00 22.51 O ATOM 593 N GLY A 85 -6.941 7.442 19.029 1.00 18.07 N ATOM 594 CA GLY A 85 -7.698 8.383 18.229 1.00 18.14 C ATOM 595 C GLY A 85 -7.998 7.830 16.847 1.00 17.64 C ATOM 596 O GLY A 85 -8.584 6.753 16.706 1.00 18.86 O ATOM 597 N ARG A 86 -7.597 8.568 15.819 1.00 15.29 N ATOM 598 CA ARG A 86 -7.825 8.160 14.440 1.00 16.56 C ATOM 599 C ARG A 86 -6.799 7.140 13.942 1.00 15.64 C ATOM 600 O ARG A 86 -7.009 6.497 12.922 1.00 15.68 O ATOM 601 CB ARG A 86 -7.810 9.408 13.551 1.00 20.10 C ATOM 602 CG ARG A 86 -8.331 9.223 12.139 1.00 25.23 C ATOM 603 CD ARG A 86 -8.231 10.547 11.385 1.00 29.41 C ATOM 604 NE ARG A 86 -8.971 10.554 10.126 1.00 30.95 N ATOM 605 CZ ARG A 86 -8.990 11.583 9.284 1.00 31.72 C ATOM 606 NH1 ARG A 86 -8.304 12.683 9.569 1.00 31.35 N ATOM 607 NH2 ARG A 86 -9.701 11.521 8.166 1.00 31.54 N ATOM 608 N VAL A 87 -5.700 6.993 14.671 1.00 14.63 N ATOM 609 CA VAL A 87 -4.634 6.069 14.299 1.00 13.88 C ATOM 610 C VAL A 87 -4.917 4.653 14.795 1.00 13.71 C ATOM 611 O VAL A 87 -5.141 4.433 15.980 1.00 15.07 O ATOM 612 CB VAL A 87 -3.277 6.540 14.862 1.00 11.57 C ATOM 613 CG1 VAL A 87 -2.176 5.600 14.415 1.00 12.95 C ATOM 614 CG2 VAL A 87 -2.976 7.943 14.375 1.00 12.77 C ATOM 615 N VAL A 88 -4.894 3.694 13.879 1.00 13.35 N ATOM 616 CA VAL A 88 -5.162 2.306 14.222 1.00 14.35 C ATOM 617 C VAL A 88 -4.021 1.375 13.831 1.00 16.69 C ATOM 618 O VAL A 88 -3.191 1.713 12.990 1.00 17.09 O ATOM 619 CB VAL A 88 -6.447 1.796 13.523 1.00 15.28 C ATOM 620 CG1 VAL A 88 -7.632 2.694 13.883 1.00 14.60 C ATOM 621 CG2 VAL A 88 -6.250 1.761 12.019 1.00 15.89 C ATOM 622 N THR A 89 -3.981 0.209 14.469 1.00 14.91 N ATOM 623 CA THR A 89 -2.969 -0.789 14.146 1.00 16.72 C ATOM 624 C THR A 89 -3.504 -1.582 12.959 1.00 17.29 C ATOM 625 O THR A 89 -4.715 -1.772 12.832 1.00 16.44 O ATOM 626 CB THR A 89 -2.716 -1.774 15.313 1.00 16.39 C ATOM 627 OG1 THR A 89 -3.963 -2.346 15.736 1.00 17.86 O ATOM 628 CG2 THR A 89 -2.049 -1.068 16.475 1.00 17.33 C ATOM 629 N GLY A 90 -2.615 -2.048 12.096 1.00 14.89 N ATOM 630 CA GLY A 90 -3.046 -2.796 10.933 1.00 16.64 C ATOM 631 C GLY A 90 -1.842 -3.398 10.247 1.00 16.16 C ATOM 632 O GLY A 90 -0.793 -3.560 10.873 1.00 15.39 O ATOM 633 N LEU A 91 -1.985 -3.719 8.965 1.00 15.42 N ATOM 634 CA LEU A 91 -0.897 -4.325 8.207 1.00 16.47 C ATOM 635 C LEU A 91 -0.638 -3.620 6.891 1.00 14.74 C ATOM 636 O LEU A 91 -1.520 -2.981 6.333 1.00 13.88 O ATOM 637 CB LEU A 91 -1.219 -5.785 7.903 1.00 17.71 C ATOM 638 CG LEU A 91 -1.483 -6.680 9.114 1.00 20.60 C ATOM 639 CD1 LEU A 91 -2.015 -8.023 8.652 1.00 19.98 C ATOM 640 CD2 LEU A 91 -0.211 -6.826 9.929 1.00 20.51 C ATOM 641 N THR A 92 0.580 -3.758 6.386 1.00 15.20 N ATOM 642 CA THR A 92 0.905 -3.146 5.112 1.00 15.83 C ATOM 643 C THR A 92 0.252 -4.106 4.130 1.00 17.05 C ATOM 644 O THR A 92 -0.124 -5.206 4.509 1.00 15.22 O ATOM 645 CB THR A 92 2.432 -3.053 4.884 1.00 16.50 C ATOM 646 OG1 THR A 92 3.029 -4.345 5.015 1.00 12.94 O ATOM 647 CG2 THR A 92 3.050 -2.101 5.874 1.00 17.60 C ATOM 648 N PRO A 93 0.107 -3.722 2.861 1.00 18.42 N ATOM 649 CA PRO A 93 -0.538 -4.653 1.932 1.00 18.77 C ATOM 650 C PRO A 93 0.069 -6.034 1.733 1.00 19.32 C ATOM 651 O PRO A 93 1.271 -6.247 1.887 1.00 17.98 O ATOM 652 CB PRO A 93 -0.627 -3.846 0.636 1.00 19.22 C ATOM 653 CG PRO A 93 0.483 -2.871 0.756 1.00 19.97 C ATOM 654 CD PRO A 93 0.466 -2.462 2.194 1.00 19.54 C ATOM 655 N SER A 94 -0.804 -6.975 1.395 1.00 19.18 N ATOM 656 CA SER A 94 -0.407 -8.351 1.148 1.00 20.82 C ATOM 657 C SER A 94 -1.014 -8.752 -0.184 1.00 19.87 C ATOM 658 O SER A 94 -1.978 -8.147 -0.642 1.00 21.41 O ATOM 659 CB SER A 94 -0.921 -9.271 2.260 1.00 23.68 C ATOM 660 OG SER A 94 -2.323 -9.165 2.391 1.00 24.18 O ATOM 661 N GLY A 95 -0.440 -9.762 -0.817 1.00 19.68 N ATOM 662 CA GLY A 95 -0.959 -10.200 -2.099 1.00 20.31 C ATOM 663 C GLY A 95 -0.087 -9.823 -3.275 1.00 19.99 C ATOM 664 O GLY A 95 1.017 -9.319 -3.097 1.00 20.88 O ATOM 665 N LYS A 96 -0.588 -10.076 -4.477 1.00 19.54 N ATOM 666 CA LYS A 96 0.140 -9.794 -5.707 1.00 19.52 C ATOM 667 C LYS A 96 -0.082 -8.386 -6.193 1.00 18.55 C ATOM 668 O LYS A 96 -1.164 -7.852 -6.033 1.00 18.66 O ATOM 669 CB LYS A 96 -0.295 -10.763 -6.811 1.00 20.89 C ATOM 670 CG LYS A 96 0.167 -12.200 -6.609 1.00 25.33 C ATOM 671 CD LYS A 96 -0.397 -13.112 -7.686 1.00 29.89 C ATOM 672 CE LYS A 96 0.092 -14.546 -7.527 1.00 30.69 C ATOM 673 NZ LYS A 96 -0.459 -15.430 -8.599 1.00 35.29 N ATOM 674 N ALA A 97 0.935 -7.813 -6.831 1.00 18.76 N ATOM 675 CA ALA A 97 0.876 -6.459 -7.363 1.00 19.16 C ATOM 676 C ALA A 97 1.895 -6.266 -8.478 1.00 17.52 C ATOM 677 O ALA A 97 2.927 -6.931 -8.510 1.00 18.14 O ATOM 678 CB ALA A 97 1.150 -5.449 -6.258 1.00 20.25 C ATOM 679 N ALA A 98 1.586 -5.344 -9.380 1.00 14.34 N ATOM 680 CA ALA A 98 2.485 -4.994 -10.467 1.00 14.46 C ATOM 681 C ALA A 98 3.177 -3.756 -9.901 1.00 14.74 C ATOM 682 O ALA A 98 2.527 -2.768 -9.553 1.00 13.74 O ATOM 683 CB ALA A 98 1.690 -4.657 -11.739 1.00 13.07 C ATOM 684 N SER A 99 4.495 -3.813 -9.788 1.00 13.21 N ATOM 685 CA SER A 99 5.207 -2.691 -9.199 1.00 14.83 C ATOM 686 C SER A 99 6.340 -2.106 -10.020 1.00 16.00 C ATOM 687 O SER A 99 7.001 -2.808 -10.774 1.00 14.63 O ATOM 688 CB SER A 99 5.743 -3.108 -7.827 1.00 18.05 C ATOM 689 OG SER A 99 6.257 -1.999 -7.113 1.00 19.54 O ATOM 690 N SER A 100 6.552 -0.805 -9.865 1.00 13.58 N ATOM 691 CA SER A 100 7.622 -0.123 -10.566 1.00 14.93 C ATOM 692 C SER A 100 8.164 0.980 -9.680 1.00 15.86 C ATOM 693 O SER A 100 7.454 1.499 -8.815 1.00 14.75 O ATOM 694 CB SER A 100 7.099 0.473 -11.869 1.00 13.70 C ATOM 695 OG SER A 100 8.149 1.052 -12.611 1.00 17.19 O ATOM 696 N LEU A 101 9.426 1.327 -9.874 1.00 14.60 N ATOM 697 CA LEU A 101 10.018 2.391 -9.082 1.00 16.39 C ATOM 698 C LEU A 101 10.066 3.632 -9.947 1.00 16.15 C ATOM 699 O LEU A 101 10.747 3.658 -10.973 1.00 16.10 O ATOM 700 CB LEU A 101 11.425 2.009 -8.631 1.00 16.75 C ATOM 701 CG LEU A 101 12.028 2.948 -7.585 1.00 20.17 C ATOM 702 CD1 LEU A 101 13.065 2.197 -6.820 1.00 23.89 C ATOM 703 CD2 LEU A 101 12.609 4.190 -8.223 1.00 17.38 C ATOM 704 N TYR A 102 9.335 4.658 -9.523 1.00 15.32 N ATOM 705 CA TYR A 102 9.271 5.918 -10.241 1.00 15.36 C ATOM 706 C TYR A 102 10.186 6.959 -9.602 1.00 15.86 C ATOM 707 O TYR A 102 10.193 7.128 -8.381 1.00 15.19 O ATOM 708 CB TYR A 102 7.835 6.444 -10.227 1.00 15.01 C ATOM 709 CG TYR A 102 7.708 7.868 -10.713 1.00 16.83 C ATOM 710 CD1 TYR A 102 7.841 8.187 -12.062 1.00 18.07 C ATOM 711 CD2 TYR A 102 7.481 8.910 -9.813 1.00 17.15 C ATOM 712 CE1 TYR A 102 7.748 9.502 -12.503 1.00 18.58 C ATOM 713 CE2 TYR A 102 7.392 10.228 -10.247 1.00 19.00 C ATOM 714 CZ TYR A 102 7.528 10.517 -11.592 1.00 18.26 C ATOM 715 OH TYR A 102 7.459 11.822 -12.030 1.00 20.79 O ATOM 716 N ILE A 103 10.954 7.659 -10.429 1.00 17.36 N ATOM 717 CA ILE A 103 11.830 8.705 -9.901 1.00 18.53 C ATOM 718 C ILE A 103 11.506 10.026 -10.582 1.00 19.83 C ATOM 719 O ILE A 103 11.445 10.090 -11.805 1.00 20.83 O ATOM 720 CB ILE A 103 13.325 8.368 -10.112 1.00 20.03 C ATOM 721 CG1 ILE A 103 13.708 7.157 -9.255 1.00 22.22 C ATOM 722 CG2 ILE A 103 14.189 9.570 -9.744 1.00 22.19 C ATOM 723 CD1 ILE A 103 15.198 6.854 -9.237 1.00 24.33 C ATOM 724 N GLY A 104 11.279 11.065 -9.783 1.00 20.55 N ATOM 725 CA GLY A 104 10.961 12.368 -10.337 1.00 22.07 C ATOM 726 C GLY A 104 9.863 13.069 -9.570 1.00 23.03 C ATOM 727 O GLY A 104 9.348 12.523 -8.598 1.00 21.11 O ATOM 728 N PRO A 105 9.466 14.281 -9.988 1.00 23.58 N ATOM 729 CA PRO A 105 8.410 14.996 -9.273 1.00 23.54 C ATOM 730 C PRO A 105 7.141 14.164 -9.240 1.00 23.45 C ATOM 731 O PRO A 105 6.751 13.573 -10.243 1.00 23.49 O ATOM 732 CB PRO A 105 8.260 16.286 -10.078 1.00 25.52 C ATOM 733 CG PRO A 105 8.622 15.861 -11.451 1.00 24.26 C ATOM 734 CD PRO A 105 9.832 14.990 -11.224 1.00 25.19 C ATOM 735 N TYR A 106 6.507 14.127 -8.078 1.00 23.37 N ATOM 736 CA TYR A 106 5.291 13.354 -7.880 1.00 25.52 C ATOM 737 C TYR A 106 4.170 13.676 -8.868 1.00 24.62 C ATOM 738 O TYR A 106 3.426 12.789 -9.285 1.00 25.59 O ATOM 739 CB TYR A 106 4.782 13.559 -6.455 1.00 27.94 C ATOM 740 CG TYR A 106 3.603 12.690 -6.119 1.00 30.98 C ATOM 741 CD1 TYR A 106 3.759 11.321 -5.921 1.00 32.15 C ATOM 742 CD2 TYR A 106 2.320 13.227 -6.036 1.00 31.19 C ATOM 743 CE1 TYR A 106 2.667 10.511 -5.652 1.00 32.09 C ATOM 744 CE2 TYR A 106 1.223 12.424 -5.771 1.00 33.60 C ATOM 745 CZ TYR A 106 1.403 11.068 -5.579 1.00 32.32 C ATOM 746 OH TYR A 106 0.318 10.270 -5.330 1.00 31.88 O ATOM 747 N GLY A 107 4.052 14.947 -9.240 1.00 22.84 N ATOM 748 CA GLY A 107 3.009 15.358 -10.163 1.00 21.55 C ATOM 749 C GLY A 107 2.978 14.661 -11.518 1.00 20.24 C ATOM 750 O GLY A 107 1.918 14.563 -12.133 1.00 18.77 O ATOM 751 N GLU A 108 4.137 14.187 -11.975 1.00 20.36 N ATOM 752 CA GLU A 108 4.260 13.511 -13.269 1.00 17.82 C ATOM 753 C GLU A 108 4.196 11.999 -13.182 1.00 18.18 C ATOM 754 O GLU A 108 4.476 11.305 -14.155 1.00 16.18 O ATOM 755 CB GLU A 108 5.574 13.915 -13.944 1.00 18.80 C ATOM 756 CG GLU A 108 5.674 15.406 -14.238 1.00 19.98 C ATOM 757 CD GLU A 108 4.836 15.824 -15.425 1.00 21.96 C ATOM 758 OE1 GLU A 108 5.155 15.395 -16.549 1.00 23.17 O ATOM 759 OE2 GLU A 108 3.863 16.580 -15.242 1.00 19.95 O ATOM 760 N ILE A 109 3.772 11.503 -12.028 1.00 17.42 N ATOM 761 CA ILE A 109 3.709 10.070 -11.785 1.00 17.69 C ATOM 762 C ILE A 109 2.740 9.261 -12.670 1.00 16.08 C ATOM 763 O ILE A 109 2.840 8.036 -12.741 1.00 16.17 O ATOM 764 CB ILE A 109 3.400 9.814 -10.281 1.00 18.12 C ATOM 765 CG1 ILE A 109 3.939 8.445 -9.857 1.00 20.03 C ATOM 766 CG2 ILE A 109 1.911 9.938 -10.022 1.00 19.58 C ATOM 767 CD1 ILE A 109 3.961 8.246 -8.351 1.00 18.60 C ATOM 768 N GLU A 110 1.810 9.933 -13.341 1.00 16.43 N ATOM 769 CA GLU A 110 0.853 9.232 -14.201 1.00 16.61 C ATOM 770 C GLU A 110 1.569 8.379 -15.242 1.00 15.99 C ATOM 771 O GLU A 110 1.017 7.385 -15.711 1.00 15.96 O ATOM 772 CB GLU A 110 -0.069 10.238 -14.903 1.00 17.52 C ATOM 773 CG GLU A 110 -1.219 9.651 -15.715 1.00 20.99 C ATOM 774 CD GLU A 110 -0.796 9.158 -17.088 1.00 24.92 C ATOM 775 OE1 GLU A 110 0.084 9.790 -17.709 1.00 26.65 O ATOM 776 OE2 GLU A 110 -1.357 8.147 -17.559 1.00 27.20 O ATOM 777 N ALA A 111 2.789 8.775 -15.600 1.00 15.08 N ATOM 778 CA ALA A 111 3.575 8.044 -16.591 1.00 16.41 C ATOM 779 C ALA A 111 3.810 6.591 -16.182 1.00 16.02 C ATOM 780 O ALA A 111 3.656 5.683 -17.008 1.00 16.67 O ATOM 781 CB ALA A 111 4.911 8.744 -16.821 1.00 16.67 C ATOM 782 N VAL A 112 4.164 6.367 -14.917 1.00 15.91 N ATOM 783 CA VAL A 112 4.420 5.007 -14.457 1.00 15.86 C ATOM 784 C VAL A 112 3.123 4.225 -14.331 1.00 14.82 C ATOM 785 O VAL A 112 3.118 3.010 -14.505 1.00 14.52 O ATOM 786 CB VAL A 112 5.210 5.006 -13.105 1.00 13.85 C ATOM 787 CG1 VAL A 112 4.371 5.592 -11.989 1.00 15.57 C ATOM 788 CG2 VAL A 112 5.678 3.605 -12.763 1.00 15.41 C ATOM 789 N TYR A 113 2.022 4.917 -14.046 1.00 14.46 N ATOM 790 CA TYR A 113 0.731 4.249 -13.928 1.00 15.93 C ATOM 791 C TYR A 113 0.300 3.697 -15.273 1.00 16.56 C ATOM 792 O TYR A 113 -0.227 2.584 -15.360 1.00 15.40 O ATOM 793 CB TYR A 113 -0.327 5.208 -13.385 1.00 16.97 C ATOM 794 CG TYR A 113 -0.349 5.244 -11.879 1.00 19.33 C ATOM 795 CD1 TYR A 113 -0.957 4.221 -11.151 1.00 20.54 C ATOM 796 CD2 TYR A 113 0.271 6.276 -11.180 1.00 20.58 C ATOM 797 CE1 TYR A 113 -0.948 4.226 -9.762 1.00 21.37 C ATOM 798 CE2 TYR A 113 0.287 6.291 -9.789 1.00 22.14 C ATOM 799 CZ TYR A 113 -0.322 5.263 -9.090 1.00 21.48 C ATOM 800 OH TYR A 113 -0.308 5.266 -7.716 1.00 22.39 O ATOM 801 N ASP A 114 0.527 4.483 -16.318 1.00 18.36 N ATOM 802 CA ASP A 114 0.178 4.055 -17.661 1.00 20.01 C ATOM 803 C ASP A 114 1.041 2.851 -18.051 1.00 20.30 C ATOM 804 O ASP A 114 0.573 1.933 -18.729 1.00 19.11 O ATOM 805 CB ASP A 114 0.383 5.202 -18.653 1.00 22.23 C ATOM 806 CG ASP A 114 -0.046 4.832 -20.059 1.00 25.36 C ATOM 807 OD1 ASP A 114 -1.182 4.336 -20.222 1.00 26.16 O ATOM 808 OD2 ASP A 114 0.746 5.037 -21.000 1.00 28.58 O ATOM 809 N ALA A 115 2.303 2.860 -17.629 1.00 20.04 N ATOM 810 CA ALA A 115 3.197 1.747 -17.940 1.00 19.85 C ATOM 811 C ALA A 115 2.737 0.496 -17.191 1.00 19.42 C ATOM 812 O ALA A 115 2.694 -0.607 -17.751 1.00 18.90 O ATOM 813 CB ALA A 115 4.634 2.101 -17.556 1.00 19.42 C ATOM 814 N LEU A 116 2.385 0.677 -15.922 1.00 18.46 N ATOM 815 CA LEU A 116 1.923 -0.435 -15.104 1.00 19.00 C ATOM 816 C LEU A 116 0.645 -1.056 -15.633 1.00 19.94 C ATOM 817 O LEU A 116 0.503 -2.274 -15.646 1.00 17.70 O ATOM 818 CB LEU A 116 1.715 0.020 -13.662 1.00 16.70 C ATOM 819 CG LEU A 116 3.026 0.198 -12.900 1.00 18.97 C ATOM 820 CD1 LEU A 116 2.784 0.896 -11.585 1.00 16.93 C ATOM 821 CD2 LEU A 116 3.667 -1.174 -12.705 1.00 17.98 C HETATM 822 N MSE A 117 -0.291 -0.224 -16.070 1.00 21.76 N HETATM 823 CA MSE A 117 -1.541 -0.747 -16.587 1.00 26.22 C HETATM 824 C MSE A 117 -1.308 -1.518 -17.879 1.00 25.31 C HETATM 825 O MSE A 117 -1.965 -2.517 -18.134 1.00 26.48 O HETATM 826 CB MSE A 117 -2.537 0.389 -16.791 1.00 30.48 C HETATM 827 CG MSE A 117 -3.022 0.963 -15.471 1.00 36.40 C HETATM 828 SE MSE A 117 -4.327 2.354 -15.678 1.00 48.31 HETATM 829 CE MSE A 117 -3.159 3.879 -15.627 1.00 43.87 C ATOM 830 N LYS A 118 -0.363 -1.053 -18.686 1.00 24.93 N ATOM 831 CA LYS A 118 -0.027 -1.726 -19.935 1.00 26.06 C ATOM 832 C LYS A 118 0.564 -3.097 -19.598 1.00 24.28 C ATOM 833 O LYS A 118 0.224 -4.109 -20.223 1.00 24.63 O ATOM 834 CB LYS A 118 0.987 -0.887 -20.717 1.00 29.07 C ATOM 835 CG LYS A 118 1.578 -1.569 -21.943 1.00 34.51 C ATOM 836 CD LYS A 118 2.423 -0.597 -22.764 1.00 38.33 C ATOM 837 CE LYS A 118 3.445 0.144 -21.901 1.00 40.29 C ATOM 838 NZ LYS A 118 4.357 -0.785 -21.168 1.00 42.88 N ATOM 839 N TRP A 119 1.432 -3.118 -18.589 1.00 22.10 N ATOM 840 CA TRP A 119 2.083 -4.350 -18.142 1.00 21.88 C ATOM 841 C TRP A 119 1.052 -5.367 -17.646 1.00 20.89 C ATOM 842 O TRP A 119 1.142 -6.563 -17.936 1.00 21.14 O ATOM 843 CB TRP A 119 3.068 -4.042 -17.012 1.00 22.16 C ATOM 844 CG TRP A 119 3.829 -5.252 -16.533 1.00 23.81 C ATOM 845 CD1 TRP A 119 5.047 -5.693 -16.976 1.00 23.85 C ATOM 846 CD2 TRP A 119 3.400 -6.193 -15.538 1.00 24.82 C ATOM 847 NE1 TRP A 119 5.394 -6.853 -16.325 1.00 24.61 N ATOM 848 CE2 TRP A 119 4.399 -7.187 -15.448 1.00 25.92 C ATOM 849 CE3 TRP A 119 2.257 -6.307 -14.738 1.00 24.65 C ATOM 850 CZ2 TRP A 119 4.303 -8.266 -14.557 1.00 25.86 C ATOM 851 CZ3 TRP A 119 2.163 -7.382 -13.855 1.00 27.23 C ATOM 852 CH2 TRP A 119 3.175 -8.354 -13.783 1.00 25.97 C ATOM 853 N VAL A 120 0.082 -4.879 -16.881 1.00 19.34 N ATOM 854 CA VAL A 120 -0.961 -5.735 -16.341 1.00 20.90 C ATOM 855 C VAL A 120 -1.766 -6.418 -17.445 1.00 22.29 C ATOM 856 O VAL A 120 -2.038 -7.610 -17.373 1.00 21.73 O ATOM 857 CB VAL A 120 -1.914 -4.936 -15.425 1.00 20.56 C ATOM 858 CG1 VAL A 120 -3.099 -5.795 -15.046 1.00 23.04 C ATOM 859 CG2 VAL A 120 -1.175 -4.483 -14.175 1.00 19.32 C ATOM 860 N ASP A 121 -2.149 -5.657 -18.461 1.00 24.41 N ATOM 861 CA ASP A 121 -2.912 -6.221 -19.568 1.00 27.59 C ATOM 862 C ASP A 121 -2.101 -7.309 -20.275 1.00 28.54 C ATOM 863 O ASP A 121 -2.607 -8.392 -20.564 1.00 28.11 O ATOM 864 CB ASP A 121 -3.267 -5.122 -20.579 1.00 29.57 C ATOM 865 CG ASP A 121 -4.099 -4.006 -19.970 1.00 33.24 C ATOM 866 OD1 ASP A 121 -5.111 -4.309 -19.304 1.00 34.61 O ATOM 867 OD2 ASP A 121 -3.746 -2.822 -20.167 1.00 34.77 O ATOM 868 N ASP A 122 -0.833 -7.013 -20.543 1.00 29.49 N ATOM 869 CA ASP A 122 0.040 -7.950 -21.238 1.00 31.29 C ATOM 870 C ASP A 122 0.432 -9.185 -20.436 1.00 30.78 C ATOM 871 O ASP A 122 0.949 -10.149 -21.005 1.00 31.30 O ATOM 872 CB ASP A 122 1.311 -7.234 -21.706 1.00 34.79 C ATOM 873 CG ASP A 122 1.028 -6.120 -22.698 1.00 38.44 C ATOM 874 OD1 ASP A 122 0.366 -6.389 -23.725 1.00 40.97 O ATOM 875 OD2 ASP A 122 1.473 -4.977 -22.457 1.00 40.55 O ATOM 876 N ASN A 123 0.199 -9.166 -19.123 1.00 29.43 N ATOM 877 CA ASN A 123 0.553 -10.306 -18.281 1.00 29.02 C ATOM 878 C ASN A 123 -0.630 -11.099 -17.736 1.00 28.38 C ATOM 879 O ASN A 123 -0.491 -11.859 -16.780 1.00 28.94 O ATOM 880 CB ASN A 123 1.452 -9.868 -17.121 1.00 28.92 C ATOM 881 CG ASN A 123 2.871 -9.581 -17.564 1.00 30.89 C ATOM 882 OD1 ASN A 123 3.130 -8.618 -18.287 1.00 31.20 O ATOM 883 ND2 ASN A 123 3.802 -10.425 -17.135 1.00 32.30 N ATOM 884 N GLY A 124 -1.789 -10.925 -18.360 1.00 28.36 N ATOM 885 CA GLY A 124 -2.981 -11.654 -17.964 1.00 26.72 C ATOM 886 C GLY A 124 -3.501 -11.450 -16.555 1.00 27.37 C ATOM 887 O GLY A 124 -4.117 -12.353 -15.985 1.00 26.89 O ATOM 888 N PHE A 125 -3.262 -10.273 -15.988 1.00 26.79 N ATOM 889 CA PHE A 125 -3.733 -9.980 -14.643 1.00 26.32 C ATOM 890 C PHE A 125 -4.892 -8.990 -14.673 1.00 25.99 C ATOM 891 O PHE A 125 -5.098 -8.278 -15.658 1.00 24.63 O ATOM 892 CB PHE A 125 -2.596 -9.405 -13.794 1.00 27.05 C ATOM 893 CG PHE A 125 -1.686 -10.444 -13.214 1.00 27.34 C ATOM 894 CD1 PHE A 125 -2.149 -11.329 -12.243 1.00 29.09 C ATOM 895 CD2 PHE A 125 -0.370 -10.540 -13.638 1.00 28.65 C ATOM 896 CE1 PHE A 125 -1.311 -12.301 -11.707 1.00 29.82 C ATOM 897 CE2 PHE A 125 0.482 -11.507 -13.110 1.00 28.27 C ATOM 898 CZ PHE A 125 0.009 -12.390 -12.140 1.00 29.21 C ATOM 899 N ASP A 126 -5.653 -8.964 -13.584 1.00 26.06 N ATOM 900 CA ASP A 126 -6.781 -8.053 -13.452 1.00 27.42 C ATOM 901 C ASP A 126 -6.497 -7.127 -12.270 1.00 25.61 C ATOM 902 O ASP A 126 -6.045 -7.572 -11.219 1.00 24.16 O ATOM 903 CB ASP A 126 -8.069 -8.836 -13.204 1.00 32.34 C ATOM 904 CG ASP A 126 -9.296 -7.952 -13.223 1.00 37.09 C ATOM 905 OD1 ASP A 126 -9.574 -7.348 -14.281 1.00 40.15 O ATOM 906 OD2 ASP A 126 -9.983 -7.858 -12.182 1.00 41.16 O ATOM 907 N LEU A 127 -6.743 -5.836 -12.460 1.00 25.08 N ATOM 908 CA LEU A 127 -6.506 -4.839 -11.421 1.00 25.83 C ATOM 909 C LEU A 127 -7.561 -4.902 -10.330 1.00 25.84 C ATOM 910 O LEU A 127 -8.749 -5.057 -10.615 1.00 25.40 O ATOM 911 CB LEU A 127 -6.517 -3.437 -12.032 1.00 26.23 C ATOM 912 CG LEU A 127 -5.538 -3.182 -13.178 1.00 27.23 C ATOM 913 CD1 LEU A 127 -5.842 -1.863 -13.852 1.00 28.80 C ATOM 914 CD2 LEU A 127 -4.133 -3.206 -12.648 1.00 26.66 C ATOM 915 N SER A 128 -7.128 -4.784 -9.079 1.00 24.21 N ATOM 916 CA SER A 128 -8.071 -4.802 -7.966 1.00 23.81 C ATOM 917 C SER A 128 -8.692 -3.416 -7.864 1.00 24.57 C ATOM 918 O SER A 128 -9.749 -3.240 -7.262 1.00 26.24 O ATOM 919 CB SER A 128 -7.362 -5.130 -6.650 1.00 24.49 C ATOM 920 OG SER A 128 -6.702 -3.985 -6.132 1.00 23.34 O ATOM 921 N GLY A 129 -8.014 -2.435 -8.454 1.00 23.29 N ATOM 922 CA GLY A 129 -8.490 -1.061 -8.414 1.00 23.38 C ATOM 923 C GLY A 129 -7.727 -0.188 -7.424 1.00 22.33 C ATOM 924 O GLY A 129 -7.794 1.043 -7.480 1.00 22.74 O ATOM 925 N GLU A 130 -7.006 -0.824 -6.509 1.00 19.92 N ATOM 926 CA GLU A 130 -6.233 -0.112 -5.493 1.00 18.35 C ATOM 927 C GLU A 130 -4.781 0.121 -5.913 1.00 18.14 C ATOM 928 O GLU A 130 -4.142 -0.754 -6.507 1.00 16.06 O ATOM 929 CB GLU A 130 -6.278 -0.902 -4.181 1.00 19.21 C ATOM 930 CG GLU A 130 -5.509 -0.297 -3.016 1.00 17.96 C ATOM 931 CD GLU A 130 -5.776 -1.027 -1.707 1.00 19.94 C ATOM 932 OE1 GLU A 130 -5.769 -2.275 -1.710 1.00 20.90 O ATOM 933 OE2 GLU A 130 -5.986 -0.357 -0.673 1.00 16.23 O ATOM 934 N ALA A 131 -4.278 1.310 -5.594 1.00 15.15 N ATOM 935 CA ALA A 131 -2.907 1.691 -5.896 1.00 14.83 C ATOM 936 C ALA A 131 -2.191 1.850 -4.562 1.00 14.41 C ATOM 937 O ALA A 131 -2.767 2.350 -3.591 1.00 16.72 O ATOM 938 CB ALA A 131 -2.879 3.004 -6.679 1.00 13.36 C ATOM 939 N TYR A 132 -0.936 1.427 -4.525 1.00 12.76 N ATOM 940 CA TYR A 132 -0.131 1.480 -3.311 1.00 13.71 C ATOM 941 C TYR A 132 1.161 2.204 -3.629 1.00 13.64 C ATOM 942 O TYR A 132 1.918 1.771 -4.484 1.00 13.80 O ATOM 943 CB TYR A 132 0.109 0.041 -2.837 1.00 14.91 C ATOM 944 CG TYR A 132 1.157 -0.190 -1.774 1.00 15.97 C ATOM 945 CD1 TYR A 132 1.207 0.583 -0.613 1.00 17.90 C ATOM 946 CD2 TYR A 132 2.049 -1.257 -1.891 1.00 18.20 C ATOM 947 CE1 TYR A 132 2.107 0.291 0.405 1.00 15.61 C ATOM 948 CE2 TYR A 132 2.955 -1.558 -0.875 1.00 16.60 C ATOM 949 CZ TYR A 132 2.975 -0.777 0.268 1.00 18.41 C ATOM 950 OH TYR A 132 3.857 -1.077 1.276 1.00 19.51 O ATOM 951 N GLU A 133 1.389 3.331 -2.966 1.00 13.22 N ATOM 952 CA GLU A 133 2.597 4.098 -3.207 1.00 13.85 C ATOM 953 C GLU A 133 3.427 4.144 -1.934 1.00 13.18 C ATOM 954 O GLU A 133 2.889 4.340 -0.841 1.00 13.18 O ATOM 955 CB GLU A 133 2.246 5.529 -3.665 1.00 13.99 C ATOM 956 CG GLU A 133 1.309 5.596 -4.860 1.00 14.76 C ATOM 957 CD GLU A 133 1.109 7.012 -5.405 1.00 15.49 C ATOM 958 OE1 GLU A 133 1.264 7.992 -4.644 1.00 15.87 O ATOM 959 OE2 GLU A 133 0.774 7.149 -6.602 1.00 16.42 O ATOM 960 N ILE A 134 4.730 3.915 -2.089 1.00 10.35 N ATOM 961 CA ILE A 134 5.682 3.956 -0.979 1.00 11.39 C ATOM 962 C ILE A 134 6.577 5.170 -1.232 1.00 13.77 C ATOM 963 O ILE A 134 7.235 5.267 -2.267 1.00 11.26 O ATOM 964 CB ILE A 134 6.533 2.682 -0.933 1.00 12.78 C ATOM 965 CG1 ILE A 134 5.636 1.473 -0.674 1.00 15.23 C ATOM 966 CG2 ILE A 134 7.596 2.809 0.138 1.00 12.93 C ATOM 967 CD1 ILE A 134 6.362 0.148 -0.823 1.00 14.03 C ATOM 968 N TYR A 135 6.572 6.114 -0.299 1.00 12.43 N ATOM 969 CA TYR A 135 7.348 7.336 -0.463 1.00 13.41 C ATOM 970 C TYR A 135 8.707 7.164 0.189 1.00 15.21 C ATOM 971 O TYR A 135 8.891 7.433 1.377 1.00 12.11 O ATOM 972 CB TYR A 135 6.577 8.501 0.150 1.00 13.63 C ATOM 973 CG TYR A 135 5.177 8.610 -0.399 1.00 14.28 C ATOM 974 CD1 TYR A 135 4.954 8.933 -1.738 1.00 15.35 C ATOM 975 CD2 TYR A 135 4.074 8.294 0.395 1.00 16.80 C ATOM 976 CE1 TYR A 135 3.660 8.940 -2.274 1.00 13.06 C ATOM 977 CE2 TYR A 135 2.778 8.284 -0.135 1.00 14.48 C ATOM 978 CZ TYR A 135 2.584 8.606 -1.463 1.00 15.01 C ATOM 979 OH TYR A 135 1.317 8.587 -1.972 1.00 13.80 O ATOM 980 N LEU A 136 9.659 6.697 -0.610 1.00 14.86 N ATOM 981 CA LEU A 136 11.010 6.440 -0.145 1.00 17.31 C ATOM 982 C LEU A 136 11.739 7.710 0.248 1.00 18.75 C ATOM 983 O LEU A 136 12.483 7.713 1.224 1.00 19.91 O ATOM 984 CB LEU A 136 11.796 5.672 -1.216 1.00 16.27 C ATOM 985 CG LEU A 136 11.191 4.302 -1.564 1.00 17.81 C ATOM 986 CD1 LEU A 136 11.879 3.740 -2.815 1.00 20.07 C ATOM 987 CD2 LEU A 136 11.323 3.349 -0.389 1.00 17.19 C ATOM 988 N ASP A 137 11.524 8.784 -0.501 1.00 19.17 N ATOM 989 CA ASP A 137 12.167 10.050 -0.190 1.00 21.14 C ATOM 990 C ASP A 137 11.124 11.079 0.216 1.00 22.96 C ATOM 991 O ASP A 137 9.977 11.028 -0.221 1.00 22.23 O ATOM 992 CB ASP A 137 12.946 10.582 -1.398 1.00 19.22 C ATOM 993 CG ASP A 137 14.046 9.647 -1.843 1.00 18.78 C ATOM 994 OD1 ASP A 137 14.932 9.341 -1.021 1.00 18.00 O ATOM 995 OD2 ASP A 137 14.036 9.223 -3.016 1.00 17.62 O ATOM 996 N ASN A 138 11.527 12.009 1.069 1.00 25.09 N ATOM 997 CA ASN A 138 10.628 13.062 1.515 1.00 27.61 C ATOM 998 C ASN A 138 10.907 14.246 0.597 1.00 28.32 C ATOM 999 O ASN A 138 12.042 14.720 0.508 1.00 26.27 O ATOM 1000 CB ASN A 138 10.919 13.428 2.973 1.00 28.59 C ATOM 1001 CG ASN A 138 9.836 14.292 3.581 1.00 30.50 C ATOM 1002 OD1 ASN A 138 9.643 15.435 3.180 1.00 30.86 O ATOM 1003 ND2 ASN A 138 9.117 13.744 4.553 1.00 31.74 N ATOM 1004 N PRO A 139 9.873 14.730 -0.109 1.00 30.31 N ATOM 1005 CA PRO A 139 10.002 15.861 -1.034 1.00 32.07 C ATOM 1006 C PRO A 139 10.524 17.155 -0.415 1.00 32.80 C ATOM 1007 O PRO A 139 10.914 18.081 -1.132 1.00 32.97 O ATOM 1008 CB PRO A 139 8.587 16.014 -1.591 1.00 32.35 C ATOM 1009 CG PRO A 139 7.733 15.524 -0.470 1.00 32.37 C ATOM 1010 CD PRO A 139 8.471 14.289 -0.020 1.00 32.11 C ATOM 1011 N ALA A 140 10.539 17.216 0.912 1.00 34.07 N ATOM 1012 CA ALA A 140 11.010 18.412 1.596 1.00 35.21 C ATOM 1013 C ALA A 140 12.526 18.542 1.521 1.00 35.90 C ATOM 1014 O ALA A 140 13.056 19.651 1.459 1.00 35.16 O ATOM 1015 CB ALA A 140 10.559 18.395 3.049 1.00 36.09 C ATOM 1016 N GLU A 141 13.225 17.410 1.517 1.00 36.21 N ATOM 1017 CA GLU A 141 14.684 17.433 1.475 1.00 37.79 C ATOM 1018 C GLU A 141 15.306 16.651 0.320 1.00 37.51 C ATOM 1019 O GLU A 141 16.461 16.238 0.398 1.00 38.16 O ATOM 1020 CB GLU A 141 15.245 16.904 2.796 1.00 37.94 C ATOM 1021 CG GLU A 141 15.081 15.407 2.987 1.00 39.12 C ATOM 1022 CD GLU A 141 15.619 14.934 4.320 1.00 39.67 C ATOM 1023 OE1 GLU A 141 15.009 15.261 5.357 1.00 39.40 O ATOM 1024 OE2 GLU A 141 16.660 14.241 4.331 1.00 41.40 O ATOM 1025 N THR A 142 14.541 16.439 -0.744 1.00 37.12 N ATOM 1026 CA THR A 142 15.048 15.713 -1.903 1.00 36.44 C ATOM 1027 C THR A 142 14.658 16.436 -3.186 1.00 35.01 C ATOM 1028 O THR A 142 13.506 16.829 -3.362 1.00 36.38 O ATOM 1029 CB THR A 142 14.493 14.272 -1.959 1.00 36.58 C ATOM 1030 OG1 THR A 142 13.061 14.309 -1.993 1.00 39.44 O ATOM 1031 CG2 THR A 142 14.941 13.480 -0.745 1.00 34.95 C ATOM 1032 N ALA A 143 15.623 16.610 -4.079 1.00 34.31 N ATOM 1033 CA ALA A 143 15.370 17.283 -5.347 1.00 32.73 C ATOM 1034 C ALA A 143 14.440 16.429 -6.202 1.00 31.15 C ATOM 1035 O ALA A 143 14.603 15.211 -6.277 1.00 30.32 O ATOM 1036 CB ALA A 143 16.685 17.525 -6.077 1.00 33.72 C ATOM 1037 N PRO A 144 13.455 17.060 -6.861 1.00 29.87 N ATOM 1038 CA PRO A 144 12.482 16.378 -7.719 1.00 29.03 C ATOM 1039 C PRO A 144 13.065 15.235 -8.544 1.00 28.55 C ATOM 1040 O PRO A 144 12.572 14.111 -8.501 1.00 28.02 O ATOM 1041 CB PRO A 144 11.954 17.512 -8.593 1.00 30.31 C ATOM 1042 CG PRO A 144 11.942 18.661 -7.645 1.00 30.34 C ATOM 1043 CD PRO A 144 13.279 18.524 -6.944 1.00 31.23 C ATOM 1044 N ASP A 145 14.126 15.531 -9.287 1.00 27.38 N ATOM 1045 CA ASP A 145 14.788 14.556 -10.148 1.00 27.51 C ATOM 1046 C ASP A 145 15.286 13.306 -9.420 1.00 25.55 C ATOM 1047 O ASP A 145 15.558 12.282 -10.043 1.00 25.20 O ATOM 1048 CB ASP A 145 15.966 15.223 -10.859 1.00 29.98 C ATOM 1049 CG ASP A 145 15.535 16.371 -11.738 1.00 32.97 C ATOM 1050 OD1 ASP A 145 15.066 16.108 -12.864 1.00 33.76 O ATOM 1051 OD2 ASP A 145 15.653 17.534 -11.297 1.00 35.98 O ATOM 1052 N GLN A 146 15.404 13.385 -8.100 1.00 24.30 N ATOM 1053 CA GLN A 146 15.881 12.243 -7.330 1.00 23.85 C ATOM 1054 C GLN A 146 14.824 11.664 -6.392 1.00 20.75 C ATOM 1055 O GLN A 146 15.107 10.746 -5.626 1.00 18.17 O ATOM 1056 CB GLN A 146 17.121 12.629 -6.515 1.00 28.09 C ATOM 1057 CG GLN A 146 18.387 12.856 -7.340 1.00 31.38 C ATOM 1058 CD GLN A 146 18.444 14.231 -7.970 1.00 34.92 C ATOM 1059 OE1 GLN A 146 18.396 15.246 -7.273 1.00 37.02 O ATOM 1060 NE2 GLN A 146 18.554 14.274 -9.293 1.00 37.53 N ATOM 1061 N LEU A 147 13.612 12.202 -6.452 1.00 18.67 N ATOM 1062 CA LEU A 147 12.527 11.738 -5.592 1.00 18.70 C ATOM 1063 C LEU A 147 12.010 10.368 -6.027 1.00 17.18 C ATOM 1064 O LEU A 147 11.443 10.222 -7.104 1.00 15.45 O ATOM 1065 CB LEU A 147 11.381 12.756 -5.618 1.00 20.23 C ATOM 1066 CG LEU A 147 10.193 12.577 -4.669 1.00 23.38 C ATOM 1067 CD1 LEU A 147 10.660 12.645 -3.215 1.00 23.02 C ATOM 1068 CD2 LEU A 147 9.168 13.676 -4.941 1.00 25.31 C ATOM 1069 N ARG A 148 12.193 9.368 -5.175 1.00 13.84 N ATOM 1070 CA ARG A 148 11.730 8.021 -5.489 1.00 13.70 C ATOM 1071 C ARG A 148 10.369 7.701 -4.883 1.00 12.93 C ATOM 1072 O ARG A 148 10.094 8.026 -3.737 1.00 13.48 O ATOM 1073 CB ARG A 148 12.729 6.991 -4.978 1.00 13.01 C ATOM 1074 CG ARG A 148 14.082 6.984 -5.666 1.00 13.10 C ATOM 1075 CD ARG A 148 15.039 6.137 -4.847 1.00 13.67 C ATOM 1076 NE ARG A 148 15.165 6.659 -3.486 1.00 15.20 N ATOM 1077 CZ ARG A 148 15.828 6.059 -2.501 1.00 15.94 C ATOM 1078 NH1 ARG A 148 16.441 4.901 -2.716 1.00 15.82 N ATOM 1079 NH2 ARG A 148 15.868 6.617 -1.295 1.00 16.62 N ATOM 1080 N THR A 149 9.528 7.061 -5.681 1.00 12.56 N ATOM 1081 CA THR A 149 8.213 6.615 -5.244 1.00 13.36 C ATOM 1082 C THR A 149 8.000 5.228 -5.833 1.00 13.63 C ATOM 1083 O THR A 149 8.070 5.039 -7.044 1.00 14.03 O ATOM 1084 CB THR A 149 7.086 7.545 -5.726 1.00 14.17 C ATOM 1085 OG1 THR A 149 7.303 8.862 -5.211 1.00 17.02 O ATOM 1086 CG2 THR A 149 5.741 7.044 -5.212 1.00 14.42 C ATOM 1087 N ARG A 150 7.806 4.250 -4.957 1.00 14.88 N ATOM 1088 CA ARG A 150 7.545 2.880 -5.375 1.00 15.39 C ATOM 1089 C ARG A 150 6.026 2.817 -5.619 1.00 15.74 C ATOM 1090 O ARG A 150 5.235 2.996 -4.686 1.00 15.57 O ATOM 1091 CB ARG A 150 7.987 1.934 -4.245 1.00 17.27 C ATOM 1092 CG ARG A 150 7.493 0.495 -4.299 1.00 20.01 C ATOM 1093 CD ARG A 150 7.961 -0.292 -5.505 1.00 17.85 C ATOM 1094 NE ARG A 150 9.407 -0.505 -5.576 1.00 14.03 N ATOM 1095 CZ ARG A 150 9.976 -1.172 -6.572 1.00 16.74 C ATOM 1096 NH1 ARG A 150 9.215 -1.672 -7.531 1.00 13.47 N ATOM 1097 NH2 ARG A 150 11.296 -1.307 -6.631 1.00 16.38 N ATOM 1098 N VAL A 151 5.631 2.590 -6.873 1.00 14.12 N ATOM 1099 CA VAL A 151 4.214 2.510 -7.235 1.00 15.95 C ATOM 1100 C VAL A 151 3.822 1.070 -7.520 1.00 16.15 C ATOM 1101 O VAL A 151 4.524 0.354 -8.229 1.00 14.52 O ATOM 1102 CB VAL A 151 3.884 3.359 -8.493 1.00 16.37 C ATOM 1103 CG1 VAL A 151 2.422 3.197 -8.858 1.00 17.95 C ATOM 1104 CG2 VAL A 151 4.215 4.814 -8.239 1.00 17.18 C ATOM 1105 N SER A 152 2.691 0.644 -6.973 1.00 15.12 N ATOM 1106 CA SER A 152 2.219 -0.719 -7.168 1.00 16.81 C ATOM 1107 C SER A 152 0.707 -0.765 -7.341 1.00 17.02 C ATOM 1108 O SER A 152 -0.040 -0.187 -6.557 1.00 16.62 O ATOM 1109 CB SER A 152 2.610 -1.601 -5.975 1.00 17.69 C ATOM 1110 OG SER A 152 4.013 -1.655 -5.798 1.00 18.94 O ATOM 1111 N LEU A 153 0.260 -1.454 -8.382 1.00 16.04 N ATOM 1112 CA LEU A 153 -1.165 -1.600 -8.623 1.00 15.01 C ATOM 1113 C LEU A 153 -1.515 -2.990 -8.097 1.00 15.12 C ATOM 1114 O LEU A 153 -0.962 -3.999 -8.545 1.00 14.29 O ATOM 1115 CB LEU A 153 -1.490 -1.496 -10.124 1.00 16.37 C ATOM 1116 CG LEU A 153 -1.185 -0.180 -10.826 1.00 18.40 C ATOM 1117 CD1 LEU A 153 -1.590 -0.245 -12.281 1.00 19.23 C ATOM 1118 CD2 LEU A 153 -1.913 0.907 -10.099 1.00 20.83 C HETATM 1119 N MSE A 154 -2.424 -3.034 -7.133 1.00 13.43 N HETATM 1120 CA MSE A 154 -2.809 -4.316 -6.564 1.00 16.34 C HETATM 1121 C MSE A 154 -3.542 -5.176 -7.586 1.00 16.22 C HETATM 1122 O MSE A 154 -4.292 -4.663 -8.411 1.00 14.94 O HETATM 1123 CB MSE A 154 -3.640 -4.115 -5.288 1.00 19.31 C HETATM 1124 CG MSE A 154 -2.952 -3.263 -4.202 1.00 22.37 C HETATM 1125 SE MSE A 154 -1.180 -3.845 -3.600 1.00 29.76 HETATM 1126 CE MSE A 154 -1.679 -5.486 -2.699 1.00 26.35 C ATOM 1127 N LEU A 155 -3.302 -6.481 -7.547 1.00 16.72 N ATOM 1128 CA LEU A 155 -3.915 -7.395 -8.504 1.00 19.47 C ATOM 1129 C LEU A 155 -4.911 -8.413 -7.945 1.00 22.63 C ATOM 1130 O LEU A 155 -4.813 -8.838 -6.786 1.00 23.24 O ATOM 1131 CB LEU A 155 -2.821 -8.159 -9.254 1.00 20.42 C ATOM 1132 CG LEU A 155 -1.716 -7.347 -9.929 1.00 17.65 C ATOM 1133 CD1 LEU A 155 -0.708 -8.278 -10.569 1.00 20.44 C ATOM 1134 CD2 LEU A 155 -2.311 -6.408 -10.954 1.00 19.17 C ATOM 1135 N HIS A 156 -5.866 -8.797 -8.791 1.00 26.34 N ATOM 1136 CA HIS A 156 -6.871 -9.804 -8.451 1.00 31.43 C ATOM 1137 C HIS A 156 -6.254 -11.153 -8.812 1.00 34.69 C ATOM 1138 O HIS A 156 -5.045 -11.254 -9.009 1.00 33.98 O ATOM 1139 CB HIS A 156 -8.144 -9.624 -9.285 1.00 31.75 C ATOM 1140 CG HIS A 156 -9.142 -8.682 -8.692 1.00 33.14 C ATOM 1141 ND1 HIS A 156 -9.564 -8.781 -7.381 1.00 33.25 N ATOM 1142 CD2 HIS A 156 -9.847 -7.665 -9.236 1.00 34.64 C ATOM 1143 CE1 HIS A 156 -10.486 -7.866 -7.149 1.00 34.07 C ATOM 1144 NE2 HIS A 156 -10.680 -7.174 -8.258 1.00 35.47 N ATOM 1145 N GLU A 157 -7.090 -12.182 -8.928 1.00 39.35 N ATOM 1146 CA GLU A 157 -6.607 -13.514 -9.275 1.00 42.33 C ATOM 1147 C GLU A 157 -7.607 -14.338 -10.087 1.00 43.75 C ATOM 1148 O GLU A 157 -7.852 -15.506 -9.790 1.00 44.06 O ATOM 1149 CB GLU A 157 -6.207 -14.261 -8.000 1.00 44.12 C ATOM 1150 CG GLU A 157 -4.960 -13.683 -7.329 1.00 45.93 C ATOM 1151 CD GLU A 157 -4.655 -14.321 -5.990 1.00 47.90 C ATOM 1152 OE1 GLU A 157 -3.563 -14.063 -5.441 1.00 48.61 O ATOM 1153 OE2 GLU A 157 -5.507 -15.074 -5.479 1.00 48.86 O ATOM 1154 N SER A 158 -8.174 -13.716 -11.118 1.00 45.19 N ATOM 1155 CA SER A 158 -9.138 -14.377 -11.995 1.00 46.37 C ATOM 1156 C SER A 158 -9.312 -13.603 -13.299 1.00 46.84 C ATOM 1157 O SER A 158 -9.040 -14.184 -14.374 1.00 47.87 O ATOM 1158 CB SER A 158 -10.494 -14.505 -11.296 1.00 47.19 C ATOM 1159 OG SER A 158 -11.456 -15.085 -12.162 1.00 46.41 O ATOM 1160 OXT SER A 158 -9.714 -12.422 -13.228 1.00 47.81 O HETATM 1161 O HOH A 159 -8.445 5.736 10.755 1.00 11.49 O HETATM 1162 O HOH A 160 -5.272 -2.007 -9.010 1.00 13.35 O HETATM 1163 O HOH A 161 4.201 0.265 -2.912 1.00 32.39 O HETATM 1164 O HOH A 162 -6.124 11.017 16.304 1.00 17.86 O HETATM 1165 O HOH A 163 -11.946 14.493 -5.349 1.00 18.15 O HETATM 1166 O HOH A 164 3.546 -5.211 2.636 1.00 17.02 O HETATM 1167 O HOH A 165 -3.320 9.380 17.850 1.00 16.80 O HETATM 1168 O HOH A 166 8.485 10.008 -2.541 1.00 21.13 O HETATM 1169 O HOH A 167 0.852 12.898 -13.843 1.00 16.82 O HETATM 1170 O HOH A 168 10.478 -2.826 -9.872 1.00 22.71 O HETATM 1171 O HOH A 169 2.086 8.047 22.490 1.00 15.08 O HETATM 1172 O HOH A 170 -6.077 -0.109 16.610 1.00 27.03 O HETATM 1173 O HOH A 171 -4.956 18.448 -1.270 1.00 23.81 O HETATM 1174 O HOH A 172 -2.372 -1.002 4.755 1.00 21.68 O HETATM 1175 O HOH A 173 -6.711 -3.018 11.494 1.00 26.82 O HETATM 1176 O HOH A 174 8.643 10.245 -7.023 1.00 12.83 O HETATM 1177 O HOH A 175 8.030 -0.815 2.267 1.00 42.92 O HETATM 1178 O HOH A 176 -6.559 -4.350 -3.335 1.00 19.05 O HETATM 1179 O HOH A 177 11.087 -0.460 -11.211 1.00 17.14 O HETATM 1180 O HOH A 178 -7.131 2.356 -0.076 1.00 19.04 O HETATM 1181 O HOH A 179 -11.686 17.813 -4.291 1.00 23.79 O HETATM 1182 O HOH A 180 -10.197 2.223 -7.723 1.00 20.38 O HETATM 1183 O HOH A 181 -5.435 19.906 1.531 1.00 16.51 O HETATM 1184 O HOH A 182 4.631 5.531 -19.587 1.00 23.44 O HETATM 1185 O HOH A 183 13.734 -4.235 -11.138 1.00 31.29 O HETATM 1186 O HOH A 184 3.671 15.358 8.210 1.00 19.77 O HETATM 1187 O HOH A 185 -5.212 -0.910 5.399 1.00 21.63 O HETATM 1188 O HOH A 186 11.165 7.042 -13.326 1.00 30.20 O HETATM 1189 O HOH A 187 2.215 9.471 -19.628 1.00 23.13 O HETATM 1190 O HOH A 188 5.121 17.496 -8.677 1.00 28.07 O HETATM 1191 O HOH A 189 15.060 15.710 -15.765 1.00 28.37 O HETATM 1192 O HOH A 190 -3.678 -5.869 1.708 1.00 33.31 O HETATM 1193 O HOH A 191 -0.647 14.922 18.778 1.00 38.83 O HETATM 1194 O HOH A 192 15.601 18.403 -8.924 1.00 34.22 O HETATM 1195 O HOH A 193 10.480 9.026 21.743 1.00 25.44 O HETATM 1196 O HOH A 194 -12.793 -7.793 -12.080 1.00 35.51 O HETATM 1197 O HOH A 195 -10.168 0.876 10.391 1.00 26.20 O HETATM 1198 O HOH A 196 4.799 -11.337 6.400 1.00 30.27 O HETATM 1199 O HOH A 197 -10.682 14.170 4.124 1.00 28.87 O HETATM 1200 O HOH A 198 6.702 -5.869 4.359 1.00 32.85 O HETATM 1201 O HOH A 199 9.203 -3.506 -17.590 1.00 33.18 O HETATM 1202 O HOH A 200 14.142 11.887 2.507 1.00 23.67 O HETATM 1203 O HOH A 201 7.279 16.313 -6.144 1.00 31.14 O HETATM 1204 O HOH A 202 6.949 11.253 -16.009 1.00 31.62 O HETATM 1205 O HOH A 203 13.368 -1.717 10.035 1.00 27.99 O HETATM 1206 O HOH A 204 -0.587 -4.649 13.510 1.00 31.46 O HETATM 1207 O HOH A 205 4.774 -3.539 0.845 1.00 30.55 O HETATM 1208 O HOH A 206 7.514 -11.479 -4.879 1.00 32.20 O HETATM 1209 O HOH A 207 4.268 -5.900 -20.767 1.00 34.41 O HETATM 1210 O HOH A 208 8.157 9.011 15.756 1.00 20.91 O HETATM 1211 O HOH A 209 -13.369 3.854 -2.308 1.00 36.33 O HETATM 1212 O HOH A 210 1.306 -10.262 -23.625 1.00 31.27 O HETATM 1213 O HOH A 211 14.780 8.784 1.768 1.00 32.25 O HETATM 1214 O HOH A 212 -5.092 -4.761 8.668 1.00 32.61 O HETATM 1215 O HOH A 213 11.314 -1.502 -19.576 1.00 46.37 O HETATM 1216 O HOH A 214 1.966 11.051 21.826 1.00 35.56 O HETATM 1217 O HOH A 215 4.160 -0.373 3.671 1.00 39.40 O HETATM 1218 O HOH A 216 -14.837 7.922 -5.834 1.00 30.19 O HETATM 1219 O HOH A 217 10.221 9.186 3.047 1.00 36.93 O HETATM 1220 O HOH A 218 17.196 9.207 -4.765 1.00 33.43 O HETATM 1221 O HOH A 219 -8.200 6.283 21.211 1.00 32.21 O HETATM 1222 O HOH A 220 0.367 -3.161 -10.271 1.00 75.38 O HETATM 1223 O HOH A 221 -13.863 -16.094 -11.355 1.00 37.51 O HETATM 1224 O HOH A 222 -5.861 -11.080 -11.744 1.00 35.85 O HETATM 1225 O HOH A 223 8.454 0.589 -20.939 1.00 57.72 O HETATM 1226 O HOH A 224 15.803 11.373 -12.784 1.00 35.62 O HETATM 1227 O HOH A 225 7.192 -1.828 19.957 1.00 32.50 O HETATM 1228 O HOH A 226 -16.301 6.557 -2.100 1.00 30.98 O HETATM 1229 O HOH A 227 -7.710 -11.684 -15.277 1.00 47.97 O HETATM 1230 O HOH A 228 -12.085 20.503 0.875 1.00 77.12 O HETATM 1231 O HOH A 229 0.320 -17.759 -3.330 1.00 77.70 O HETATM 1232 O HOH A 230 -6.827 -2.053 14.628 1.00 28.77 O HETATM 1233 O HOH A 231 4.437 -12.691 -15.976 1.00 41.77 O HETATM 1234 O HOH A 232 -12.126 -12.278 -14.298 1.00 41.27 O HETATM 1235 O HOH A 233 -7.178 3.941 17.798 1.00 30.84 O HETATM 1236 O HOH A 234 6.544 4.320 7.021 1.00 78.47 O HETATM 1237 O HOH A 235 7.566 6.197 26.161 1.00 53.57 O HETATM 1238 O HOH A 236 -4.460 -0.388 18.736 1.00 44.41 O HETATM 1239 O HOH A 237 10.428 2.550 -13.303 1.00 29.69 O HETATM 1240 O HOH A 238 9.712 10.992 4.895 1.00 53.43 O HETATM 1241 O HOH A 239 17.628 9.555 -1.497 1.00 33.84 O HETATM 1242 O HOH A 240 13.198 -3.728 17.983 1.00 38.10 O HETATM 1243 O HOH A 241 -12.383 -4.300 -7.297 1.00 37.96 O HETATM 1244 O HOH A 242 -11.472 9.981 -11.548 1.00 38.54 O HETATM 1245 O HOH A 243 0.941 16.552 2.191 1.00 33.52 O HETATM 1246 O HOH A 244 -9.983 14.817 8.893 1.00 37.36 O HETATM 1247 O HOH A 245 8.955 -10.638 -10.561 1.00 33.13 O HETATM 1248 O HOH A 246 -11.421 -17.274 -10.669 1.00 42.33 O HETATM 1249 O HOH A 247 10.287 9.731 -17.557 1.00 53.67 O HETATM 1250 O HOH A 248 0.680 6.130 -1.587 1.00 39.54 O HETATM 1251 O HOH A 249 -4.495 -3.144 6.673 1.00 36.35 O HETATM 1252 O HOH A 250 -4.704 -3.423 -16.707 1.00 41.82 O HETATM 1253 O HOH A 251 -14.604 13.515 1.793 1.00 72.71 O HETATM 1254 O HOH A 252 12.493 1.541 14.170 1.00 44.75 O HETATM 1255 O HOH A 253 2.773 15.806 20.220 1.00 89.78 O HETATM 1256 O HOH A 254 12.648 1.661 -14.515 1.00 31.62 O HETATM 1257 O HOH A 255 -13.712 19.023 -3.094 1.00 31.88 O HETATM 1258 O HOH A 256 4.573 15.885 -18.897 1.00 86.55 O HETATM 1259 O HOH A 257 -17.070 6.551 -4.758 1.00 89.85 O HETATM 1260 O HOH A 258 -16.169 16.105 -7.154 1.00 43.81 O HETATM 1261 O HOH A 259 1.308 -3.244 23.129 1.00 44.15 O HETATM 1262 O HOH A 260 -3.517 -8.144 -4.335 1.00 32.80 O HETATM 1263 O HOH A 261 -14.603 18.596 -0.607 1.00 41.35 O HETATM 1264 O HOH A 262 -9.561 15.144 -8.831 1.00 37.44 O HETATM 1265 O HOH A 263 -1.881 9.602 12.453 1.00 76.33 O HETATM 1266 O HOH A 264 10.052 0.621 -23.013 1.00 51.89 O HETATM 1267 O HOH A 265 -10.961 -5.802 -4.791 1.00 35.00 O HETATM 1268 O HOH A 266 4.288 5.767 0.265 1.00 83.64 O HETATM 1269 O HOH A 267 10.379 8.973 17.293 1.00 37.26 O HETATM 1270 O HOH A 268 5.200 6.096 27.281 1.00 42.29 O HETATM 1271 O HOH A 269 -3.466 4.930 -18.820 1.00 42.29 O HETATM 1272 O HOH A 270 -3.790 7.226 -16.291 1.00 45.48 O HETATM 1273 O HOH A 271 -11.334 -9.995 -13.075 1.00 87.52 O HETATM 1274 O HOH A 272 13.760 7.736 -20.090 1.00 62.65 O HETATM 1275 O HOH A 273 -10.599 -3.870 -12.592 1.00 36.43 O HETATM 1276 O HOH A 274 -1.474 -13.870 -15.142 1.00 40.74 O HETATM 1277 O HOH A 275 -12.034 -6.914 -15.799 1.00 60.41 O HETATM 1278 O HOH A 276 6.515 0.833 3.556 1.00 22.55 O HETATM 1279 O HOH A 277 6.932 -0.136 -18.048 1.00 88.62 O HETATM 1280 O HOH A 278 -17.724 9.090 -2.986 1.00 84.29 O HETATM 1281 O HOH A 279 11.039 1.816 17.969 1.00 39.84 O HETATM 1282 O HOH A 280 -13.669 16.528 -10.487 1.00 89.31 O HETATM 1283 O HOH A 281 11.252 7.747 19.519 1.00 44.01 O HETATM 1284 O HOH A 282 16.858 11.317 3.499 1.00 57.87 O HETATM 1285 O HOH A 283 -5.709 10.464 21.587 1.00 42.21 O HETATM 1286 O HOH A 284 -2.228 -12.366 -3.805 1.00 43.13 O HETATM 1287 O HOH A 285 12.601 20.075 -2.354 1.00 59.35 O HETATM 1288 O HOH A 286 -7.814 17.811 5.179 1.00 35.66 O HETATM 1289 O HOH A 287 0.848 14.572 21.529 1.00 43.42 O HETATM 1290 O HOH A 288 3.930 7.119 6.925 1.00 93.13 O HETATM 1291 O HOH A 289 1.311 23.145 4.903 1.00 41.87 O HETATM 1292 O HOH A 290 5.244 11.950 4.041 1.00 49.94 O HETATM 1293 O HOH A 291 -0.404 -0.750 6.606 1.00 89.63 O HETATM 1294 O HOH A 292 7.696 2.606 -19.535 1.00 75.48 O HETATM 1295 O HOH A 293 1.259 1.156 23.332 1.00 42.29 O HETATM 1296 O HOH A 294 -5.628 3.508 22.474 1.00 39.66 O HETATM 1297 O HOH A 295 8.101 -11.727 -7.410 1.00 80.14 O HETATM 1298 O HOH A 296 12.913 17.366 4.814 1.00 82.00 O HETATM 1299 O HOH A 297 5.370 14.357 15.520 1.00 87.77 O HETATM 1300 O HOH A 298 1.267 -4.861 16.563 1.00 51.82 O HETATM 1301 O HOH A 299 -10.896 -11.095 -8.193 1.00 51.02 O TER 1302 HOH A 299 ENDMDL MASTER END