HEADER DNA BINDING PROTEIN 30-MAR-09 3GVA TITLE CRYSTAL STRUCTURE ANALYSIS OF S. POMBE ATL COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALKYLTRANSFERASE-LIKE PROTEIN 1; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 4896; SOURCE 5 GENE: ATL1, SPAC1250.04C; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ALKYLATED DNA DAMAGE REPAIR, DNA DAMAGE, DNA REPAIR, DNA- KEYWDS 2 BINDING, DNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.L.TUBBS,A.S.ARVAI,J.A.TAINER REVDAT 2 28-JUL-09 3GVA 1 JRNL REVDAT 1 09-JUN-09 3GVA 0 JRNL AUTH J.L.TUBBS,V.LATYPOV,S.KANUGULA,A.BUTT, JRNL AUTH 2 M.MELIKISHVILI,R.KRAEHENBUEHL,O.FLECK,A.MARRIOTT, JRNL AUTH 3 A.J.WATSON,B.VERBEEK,G.MCGOWN,M.THORNCROFT, JRNL AUTH 4 M.F.SANTIBANEZ-KOREF,C.MILLINGTON,A.S.ARVAI, JRNL AUTH 5 M.D.KROEGER,L.A.PETERSON,D.M.WILLIAMS,M.G.FRIED, JRNL AUTH 6 G.P.MARGISON,A.E.PEGG,J.A.TAINER JRNL TITL FLIPPING OF ALKYLATED DNA DAMAGE BRIDGES BASE AND JRNL TITL 2 NUCLEOTIDE EXCISION REPAIR. JRNL REF NATURE V. 459 808 2009 JRNL REFN ISSN 0028-0836 JRNL PMID 19516334 JRNL DOI 10.1038/NATURE08076 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.02 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 114432.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.1 REMARK 3 NUMBER OF REFLECTIONS : 13976 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) : 0.221 REMARK 3 FREE R VALUE : 0.265 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300 REMARK 3 FREE R VALUE TEST SET COUNT : 1434 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 88.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1934 REMARK 3 BIN R VALUE (WORKING SET) : 0.2690 REMARK 3 BIN FREE R VALUE : 0.3230 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 210 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.022 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1764 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 121 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 14.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 34.94 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 5.91000 REMARK 3 B22 (A**2) : 5.91000 REMARK 3 B33 (A**2) : -11.82000 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) : 0.26 REMARK 3 ESD FROM SIGMAA (A) : 0.26 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) : 0.33 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.29 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.74 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.940 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.590 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.710 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.380 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.35 REMARK 3 BSOL : 41.74 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 : DNA-RNA.PARAM REMARK 3 PARAMETER FILE 3 : WATER.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3GVA COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-MAR-09. REMARK 100 THE RCSB ID CODE IS RCSB052350. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-SEP-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 12.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14855 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 9.300 REMARK 200 R MERGE (I) : 0.07100 REMARK 200 R SYM (I) : 0.07100 REMARK 200 FOR THE DATA SET : 25.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.70 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.5 REMARK 200 DATA REDUNDANCY IN SHELL : 8.80 REMARK 200 R MERGE FOR SHELL (I) : 0.28600 REMARK 200 R SYM FOR SHELL (I) : 0.28600 REMARK 200 FOR SHELL : 4.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.83 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 56.42567 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 112.85133 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 112.85133 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 56.42567 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 GLY A 109 REMARK 465 SER A 110 REMARK 465 HIS A 111 REMARK 465 HIS A 112 REMARK 465 HIS A 113 REMARK 465 HIS A 114 REMARK 465 HIS A 115 REMARK 465 HIS A 116 REMARK 465 MET B 1 REMARK 465 GLY B 109 REMARK 465 SER B 110 REMARK 465 HIS B 111 REMARK 465 HIS B 112 REMARK 465 HIS B 113 REMARK 465 HIS B 114 REMARK 465 HIS B 115 REMARK 465 HIS B 116 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 ARG A 69 98.94 -53.00 REMARK 500 ASP A 70 8.92 157.58 REMARK 500 ILE A 71 103.13 -8.98 REMARK 500 PRO B 35 -35.09 -37.35 REMARK 500 SER B 67 -172.90 -178.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B3192 DISTANCE = 6.50 ANGSTROMS REMARK 525 HOH B3193 DISTANCE = 5.06 ANGSTROMS REMARK 525 HOH A3185 DISTANCE = 7.02 ANGSTROMS DBREF 3GVA A 1 108 UNP Q9UTN9 ATL1_SCHPO 1 108 DBREF 3GVA B 1 108 UNP Q9UTN9 ATL1_SCHPO 1 108 SEQADV 3GVA GLY A 109 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA SER A 110 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 111 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 112 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 113 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 114 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 115 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS A 116 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA GLY B 109 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA SER B 110 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 111 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 112 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 113 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 114 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 115 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GVA HIS B 116 UNP Q9UTN9 EXPRESSION TAG SEQRES 1 A 116 MET ARG MET ASP GLU PHE TYR THR LYS VAL TYR ASP ALA SEQRES 2 A 116 VAL CYS GLU ILE PRO TYR GLY LYS VAL SER THR TYR GLY SEQRES 3 A 116 GLU ILE ALA ARG TYR VAL GLY MET PRO SER TYR ALA ARG SEQRES 4 A 116 GLN VAL GLY GLN ALA MET LYS HIS LEU HIS PRO GLU THR SEQRES 5 A 116 HIS VAL PRO TRP HIS ARG VAL ILE ASN SER ARG GLY THR SEQRES 6 A 116 ILE SER LYS ARG ASP ILE SER ALA GLY GLU GLN ARG GLN SEQRES 7 A 116 LYS ASP ARG LEU GLU GLU GLU GLY VAL GLU ILE TYR GLN SEQRES 8 A 116 THR SER LEU GLY GLU TYR LYS LEU ASN LEU PRO GLU TYR SEQRES 9 A 116 MET TRP LYS PRO GLY SER HIS HIS HIS HIS HIS HIS SEQRES 1 B 116 MET ARG MET ASP GLU PHE TYR THR LYS VAL TYR ASP ALA SEQRES 2 B 116 VAL CYS GLU ILE PRO TYR GLY LYS VAL SER THR TYR GLY SEQRES 3 B 116 GLU ILE ALA ARG TYR VAL GLY MET PRO SER TYR ALA ARG SEQRES 4 B 116 GLN VAL GLY GLN ALA MET LYS HIS LEU HIS PRO GLU THR SEQRES 5 B 116 HIS VAL PRO TRP HIS ARG VAL ILE ASN SER ARG GLY THR SEQRES 6 B 116 ILE SER LYS ARG ASP ILE SER ALA GLY GLU GLN ARG GLN SEQRES 7 B 116 LYS ASP ARG LEU GLU GLU GLU GLY VAL GLU ILE TYR GLN SEQRES 8 B 116 THR SER LEU GLY GLU TYR LYS LEU ASN LEU PRO GLU TYR SEQRES 9 B 116 MET TRP LYS PRO GLY SER HIS HIS HIS HIS HIS HIS FORMUL 3 HOH *121(H2 O) HELIX 1 1 ARG A 2 CYS A 15 1 14 HELIX 2 2 THR A 24 VAL A 32 1 9 HELIX 3 3 TYR A 37 HIS A 47 1 11 HELIX 4 4 PRO A 55 VAL A 59 5 5 HELIX 5 5 SER A 72 GLU A 85 1 14 HELIX 6 6 ASN A 100 MET A 105 1 6 HELIX 7 7 ARG B 2 ILE B 17 1 16 HELIX 8 8 THR B 24 VAL B 32 1 9 HELIX 9 9 TYR B 37 HIS B 47 1 11 HELIX 10 10 PRO B 55 VAL B 59 5 5 HELIX 11 11 SER B 72 GLU B 85 1 14 HELIX 12 12 ASN B 100 MET B 105 1 6 SHEET 1 A 2 TYR A 90 GLN A 91 0 SHEET 2 A 2 TYR A 97 LYS A 98 -1 O LYS A 98 N TYR A 90 SHEET 1 B 3 THR B 65 SER B 67 0 SHEET 2 B 3 TYR B 97 LYS B 98 -1 O TYR B 97 N ILE B 66 SHEET 3 B 3 TYR B 90 GLN B 91 -1 N TYR B 90 O LYS B 98 CRYST1 46.298 46.298 169.277 90.00 90.00 120.00 P 31 2 1 12 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 0.021599 0.012470 0.000000 0.00000 SCALE2 0.000000 0.024941 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005907 0.00000 ATOM 1 N ARG A 2 15.314 -22.726 25.387 1.00 59.07 N ATOM 2 CA ARG A 2 16.484 -23.017 24.507 1.00 56.65 C ATOM 3 C ARG A 2 16.525 -22.078 23.307 1.00 54.23 C ATOM 4 O ARG A 2 17.593 -21.794 22.765 1.00 53.37 O ATOM 5 CB ARG A 2 16.426 -24.467 24.016 1.00 50.55 C ATOM 6 CG ARG A 2 17.518 -24.816 23.019 1.00 52.37 C ATOM 7 CD ARG A 2 18.905 -24.550 23.596 1.00 52.33 C ATOM 8 NE ARG A 2 19.817 -23.975 22.606 1.00 52.34 N ATOM 9 CZ ARG A 2 20.131 -24.546 21.445 1.00 52.91 C ATOM 10 NH1 ARG A 2 20.970 -23.944 20.610 1.00 48.32 N ATOM 11 NH2 ARG A 2 19.607 -25.719 21.115 1.00 52.85 N ATOM 12 N MET A 3 15.355 -21.601 22.900 1.00 43.10 N ATOM 13 CA MET A 3 15.245 -20.702 21.759 1.00 41.66 C ATOM 14 C MET A 3 16.142 -19.467 21.840 1.00 41.30 C ATOM 15 O MET A 3 16.705 -19.048 20.831 1.00 38.09 O ATOM 16 CB MET A 3 13.791 -20.263 21.575 1.00 42.94 C ATOM 17 CG MET A 3 12.888 -21.342 21.006 1.00 45.57 C ATOM 18 SD MET A 3 13.361 -21.864 19.335 1.00 49.40 S ATOM 19 CE MET A 3 14.238 -23.415 19.694 1.00 45.07 C ATOM 20 N ASP A 4 16.279 -18.882 23.028 1.00 40.46 N ATOM 21 CA ASP A 4 17.111 -17.690 23.164 1.00 38.40 C ATOM 22 C ASP A 4 18.500 -17.922 22.566 1.00 34.73 C ATOM 23 O ASP A 4 18.987 -17.112 21.770 1.00 31.86 O ATOM 24 CB ASP A 4 17.228 -17.264 24.633 1.00 50.98 C ATOM 25 CG ASP A 4 17.885 -18.322 25.505 1.00 54.25 C ATOM 26 OD1 ASP A 4 18.356 -17.960 26.600 1.00 57.07 O ATOM 27 OD2 ASP A 4 17.925 -19.507 25.108 1.00 53.73 O ATOM 28 N GLU A 5 19.135 -19.034 22.928 1.00 30.02 N ATOM 29 CA GLU A 5 20.454 -19.323 22.387 1.00 28.60 C ATOM 30 C GLU A 5 20.383 -19.845 20.949 1.00 25.61 C ATOM 31 O GLU A 5 21.308 -19.630 20.160 1.00 22.23 O ATOM 32 CB GLU A 5 21.202 -20.327 23.270 1.00 36.54 C ATOM 33 CG GLU A 5 22.698 -20.303 23.004 1.00 44.37 C ATOM 34 CD GLU A 5 23.531 -20.938 24.101 1.00 48.93 C ATOM 35 OE1 GLU A 5 23.250 -20.686 25.294 1.00 51.17 O ATOM 36 OE2 GLU A 5 24.488 -21.671 23.762 1.00 51.48 O ATOM 37 N PHE A 6 19.288 -20.520 20.603 1.00 23.95 N ATOM 38 CA PHE A 6 19.130 -21.053 19.250 1.00 21.08 C ATOM 39 C PHE A 6 19.074 -19.919 18.229 1.00 20.51 C ATOM 40 O PHE A 6 19.677 -20.005 17.166 1.00 20.22 O ATOM 41 CB PHE A 6 17.849 -21.892 19.138 1.00 20.09 C ATOM 42 CG PHE A 6 17.593 -22.424 17.750 1.00 20.56 C ATOM 43 CD1 PHE A 6 18.428 -23.393 17.195 1.00 20.62 C ATOM 44 CD2 PHE A 6 16.533 -21.938 16.986 1.00 21.06 C ATOM 45 CE1 PHE A 6 18.215 -23.864 15.900 1.00 22.18 C ATOM 46 CE2 PHE A 6 16.311 -22.402 15.691 1.00 20.48 C ATOM 47 CZ PHE A 6 17.153 -23.366 15.146 1.00 22.68 C ATOM 48 N TYR A 7 18.335 -18.862 18.553 1.00 18.90 N ATOM 49 CA TYR A 7 18.199 -17.722 17.658 1.00 22.21 C ATOM 50 C TYR A 7 19.558 -17.123 17.314 1.00 19.43 C ATOM 51 O TYR A 7 19.839 -16.843 16.153 1.00 16.09 O ATOM 52 CB TYR A 7 17.300 -16.649 18.291 1.00 26.71 C ATOM 53 CG TYR A 7 15.812 -16.933 18.205 1.00 31.73 C ATOM 54 CD1 TYR A 7 15.334 -18.210 17.911 1.00 34.29 C ATOM 55 CD2 TYR A 7 14.880 -15.917 18.425 1.00 34.43 C ATOM 56 CE1 TYR A 7 13.958 -18.471 17.840 1.00 36.46 C ATOM 57 CE2 TYR A 7 13.504 -16.164 18.359 1.00 36.42 C ATOM 58 CZ TYR A 7 13.051 -17.442 18.064 1.00 39.10 C ATOM 59 OH TYR A 7 11.697 -17.689 17.997 1.00 38.74 O ATOM 60 N THR A 8 20.400 -16.937 18.326 1.00 19.63 N ATOM 61 CA THR A 8 21.726 -16.369 18.104 1.00 18.60 C ATOM 62 C THR A 8 22.582 -17.274 17.214 1.00 18.49 C ATOM 63 O THR A 8 23.398 -16.791 16.424 1.00 20.51 O ATOM 64 CB THR A 8 22.450 -16.108 19.445 1.00 20.77 C ATOM 65 OG1 THR A 8 22.710 -17.347 20.115 1.00 28.72 O ATOM 66 CG2 THR A 8 21.571 -15.249 20.347 1.00 18.15 C ATOM 67 N LYS A 9 22.383 -18.581 17.331 1.00 17.62 N ATOM 68 CA LYS A 9 23.123 -19.556 16.528 1.00 18.84 C ATOM 69 C LYS A 9 22.659 -19.451 15.072 1.00 19.34 C ATOM 70 O LYS A 9 23.440 -19.634 14.126 1.00 14.21 O ATOM 71 CB LYS A 9 22.860 -20.964 17.064 1.00 34.59 C ATOM 72 CG LYS A 9 23.881 -22.001 16.627 1.00 44.23 C ATOM 73 CD LYS A 9 23.556 -23.375 17.201 1.00 50.93 C ATOM 74 CE LYS A 9 24.701 -24.353 16.974 1.00 56.00 C ATOM 75 NZ LYS A 9 25.116 -24.426 15.541 1.00 60.32 N ATOM 76 N VAL A 10 21.370 -19.159 14.904 1.00 20.81 N ATOM 77 CA VAL A 10 20.788 -18.997 13.580 1.00 18.88 C ATOM 78 C VAL A 10 21.352 -17.720 12.960 1.00 19.07 C ATOM 79 O VAL A 10 21.802 -17.730 11.814 1.00 15.89 O ATOM 80 CB VAL A 10 19.245 -18.893 13.661 1.00 18.02 C ATOM 81 CG1 VAL A 10 18.683 -18.391 12.338 1.00 17.41 C ATOM 82 CG2 VAL A 10 18.647 -20.269 13.996 1.00 21.35 C ATOM 83 N TYR A 11 21.332 -16.622 13.721 1.00 16.46 N ATOM 84 CA TYR A 11 21.849 -15.356 13.208 1.00 19.43 C ATOM 85 C TYR A 11 23.317 -15.461 12.835 1.00 16.85 C ATOM 86 O TYR A 11 23.734 -14.896 11.830 1.00 18.34 O ATOM 87 CB TYR A 11 21.628 -14.220 14.217 1.00 17.48 C ATOM 88 CG TYR A 11 20.171 -14.077 14.622 1.00 19.64 C ATOM 89 CD1 TYR A 11 19.142 -14.495 13.764 1.00 20.93 C ATOM 90 CD2 TYR A 11 19.817 -13.540 15.858 1.00 19.74 C ATOM 91 CE1 TYR A 11 17.800 -14.384 14.135 1.00 17.34 C ATOM 92 CE2 TYR A 11 18.482 -13.418 16.238 1.00 19.49 C ATOM 93 CZ TYR A 11 17.482 -13.845 15.371 1.00 20.41 C ATOM 94 OH TYR A 11 16.165 -13.741 15.744 1.00 23.02 O ATOM 95 N ASP A 12 24.090 -16.194 13.636 1.00 19.87 N ATOM 96 CA ASP A 12 25.507 -16.394 13.358 1.00 22.67 C ATOM 97 C ASP A 12 25.643 -17.072 12.010 1.00 22.02 C ATOM 98 O ASP A 12 26.498 -16.716 11.204 1.00 25.79 O ATOM 99 CB ASP A 12 26.168 -17.303 14.403 1.00 32.40 C ATOM 100 CG ASP A 12 26.468 -16.590 15.694 1.00 40.70 C ATOM 101 OD1 ASP A 12 26.874 -15.415 15.633 1.00 45.82 O ATOM 102 OD2 ASP A 12 26.317 -17.209 16.770 1.00 47.29 O ATOM 103 N ALA A 13 24.793 -18.062 11.773 1.00 20.15 N ATOM 104 CA ALA A 13 24.835 -18.796 10.521 1.00 20.36 C ATOM 105 C ALA A 13 24.479 -17.902 9.339 1.00 17.18 C ATOM 106 O ALA A 13 25.129 -17.964 8.296 1.00 18.23 O ATOM 107 CB ALA A 13 23.890 -20.004 10.585 1.00 22.94 C ATOM 108 N VAL A 14 23.450 -17.076 9.496 1.00 17.01 N ATOM 109 CA VAL A 14 23.036 -16.183 8.418 1.00 16.33 C ATOM 110 C VAL A 14 24.153 -15.173 8.104 1.00 16.78 C ATOM 111 O VAL A 14 24.409 -14.848 6.940 1.00 15.28 O ATOM 112 CB VAL A 14 21.727 -15.429 8.787 1.00 18.66 C ATOM 113 CG1 VAL A 14 21.362 -14.446 7.682 1.00 16.54 C ATOM 114 CG2 VAL A 14 20.586 -16.433 8.995 1.00 17.04 C ATOM 115 N CYS A 15 24.823 -14.689 9.143 1.00 21.41 N ATOM 116 CA CYS A 15 25.917 -13.735 8.962 1.00 24.50 C ATOM 117 C CYS A 15 27.039 -14.350 8.131 1.00 24.91 C ATOM 118 O CYS A 15 27.910 -13.644 7.630 1.00 25.26 O ATOM 119 CB CYS A 15 26.479 -13.292 10.319 1.00 23.09 C ATOM 120 SG CYS A 15 25.411 -12.165 11.238 1.00 31.29 S ATOM 121 N GLU A 16 27.021 -15.670 7.988 1.00 25.29 N ATOM 122 CA GLU A 16 28.045 -16.342 7.200 1.00 26.28 C ATOM 123 C GLU A 16 27.705 -16.500 5.720 1.00 24.28 C ATOM 124 O GLU A 16 28.587 -16.805 4.925 1.00 22.55 O ATOM 125 CB GLU A 16 28.364 -17.703 7.802 1.00 33.42 C ATOM 126 CG GLU A 16 29.142 -17.611 9.091 1.00 37.67 C ATOM 127 CD GLU A 16 29.504 -18.972 9.628 1.00 43.92 C ATOM 128 OE1 GLU A 16 28.588 -19.703 10.059 1.00 42.12 O ATOM 129 OE2 GLU A 16 30.706 -19.316 9.608 1.00 48.81 O ATOM 130 N ILE A 17 26.436 -16.320 5.348 1.00 21.88 N ATOM 131 CA ILE A 17 26.051 -16.422 3.933 1.00 18.91 C ATOM 132 C ILE A 17 26.840 -15.322 3.224 1.00 19.86 C ATOM 133 O ILE A 17 26.758 -14.148 3.593 1.00 19.70 O ATOM 134 CB ILE A 17 24.532 -16.161 3.714 1.00 21.73 C ATOM 135 CG1 ILE A 17 23.699 -17.113 4.578 1.00 21.37 C ATOM 136 CG2 ILE A 17 24.170 -16.370 2.243 1.00 18.51 C ATOM 137 CD1 ILE A 17 22.207 -16.824 4.544 1.00 17.57 C ATOM 138 N PRO A 18 27.624 -15.683 2.202 1.00 24.71 N ATOM 139 CA PRO A 18 28.379 -14.618 1.542 1.00 25.43 C ATOM 140 C PRO A 18 27.595 -13.655 0.660 1.00 27.18 C ATOM 141 O PRO A 18 26.479 -13.935 0.212 1.00 25.19 O ATOM 142 CB PRO A 18 29.453 -15.386 0.771 1.00 23.21 C ATOM 143 CG PRO A 18 28.793 -16.680 0.471 1.00 24.01 C ATOM 144 CD PRO A 18 28.075 -17.010 1.750 1.00 20.98 C ATOM 145 N TYR A 19 28.199 -12.493 0.455 1.00 23.09 N ATOM 146 CA TYR A 19 27.651 -11.438 -0.379 1.00 24.56 C ATOM 147 C TYR A 19 27.263 -12.055 -1.725 1.00 24.31 C ATOM 148 O TYR A 19 28.027 -12.833 -2.294 1.00 23.63 O ATOM 149 CB TYR A 19 28.736 -10.378 -0.582 1.00 28.78 C ATOM 150 CG TYR A 19 28.338 -9.175 -1.396 1.00 30.41 C ATOM 151 CD1 TYR A 19 27.805 -8.043 -0.784 1.00 31.62 C ATOM 152 CD2 TYR A 19 28.541 -9.147 -2.775 1.00 30.05 C ATOM 153 CE1 TYR A 19 27.490 -6.905 -1.525 1.00 34.33 C ATOM 154 CE2 TYR A 19 28.227 -8.014 -3.527 1.00 32.04 C ATOM 155 CZ TYR A 19 27.704 -6.897 -2.895 1.00 31.95 C ATOM 156 OH TYR A 19 27.405 -5.771 -3.627 1.00 30.88 O ATOM 157 N GLY A 20 26.072 -11.731 -2.222 1.00 23.59 N ATOM 158 CA GLY A 20 25.655 -12.266 -3.508 1.00 19.22 C ATOM 159 C GLY A 20 25.138 -13.691 -3.510 1.00 19.23 C ATOM 160 O GLY A 20 24.802 -14.217 -4.562 1.00 18.34 O ATOM 161 N LYS A 21 25.076 -14.323 -2.343 1.00 21.60 N ATOM 162 CA LYS A 21 24.578 -15.694 -2.234 1.00 21.14 C ATOM 163 C LYS A 21 23.340 -15.733 -1.342 1.00 20.01 C ATOM 164 O LYS A 21 23.034 -14.761 -0.663 1.00 16.51 O ATOM 165 CB LYS A 21 25.659 -16.604 -1.648 1.00 24.30 C ATOM 166 CG LYS A 21 26.889 -16.763 -2.535 1.00 31.82 C ATOM 167 CD LYS A 21 26.552 -17.516 -3.804 1.00 35.24 C ATOM 168 CE LYS A 21 27.765 -17.660 -4.707 1.00 39.04 C ATOM 169 NZ LYS A 21 27.402 -18.367 -5.971 1.00 41.20 N ATOM 170 N VAL A 22 22.623 -16.852 -1.346 1.00 16.04 N ATOM 171 CA VAL A 22 21.429 -16.969 -0.516 1.00 15.42 C ATOM 172 C VAL A 22 21.329 -18.347 0.116 1.00 19.14 C ATOM 173 O VAL A 22 22.079 -19.259 -0.233 1.00 20.72 O ATOM 174 CB VAL A 22 20.120 -16.708 -1.334 1.00 18.05 C ATOM 175 CG1 VAL A 22 20.187 -15.340 -2.014 1.00 18.98 C ATOM 176 CG2 VAL A 22 19.899 -17.811 -2.372 1.00 17.54 C ATOM 177 N SER A 23 20.406 -18.497 1.056 1.00 17.41 N ATOM 178 CA SER A 23 20.196 -19.784 1.697 1.00 18.61 C ATOM 179 C SER A 23 18.727 -19.884 2.089 1.00 18.52 C ATOM 180 O SER A 23 17.935 -18.984 1.779 1.00 17.60 O ATOM 181 CB SER A 23 21.098 -19.939 2.926 1.00 23.52 C ATOM 182 OG SER A 23 21.112 -21.291 3.357 1.00 27.13 O ATOM 183 N THR A 24 18.358 -20.975 2.754 1.00 19.83 N ATOM 184 CA THR A 24 16.970 -21.182 3.165 1.00 18.18 C ATOM 185 C THR A 24 16.889 -21.656 4.617 1.00 21.03 C ATOM 186 O THR A 24 17.898 -22.060 5.209 1.00 21.55 O ATOM 187 CB THR A 24 16.283 -22.239 2.278 1.00 18.19 C ATOM 188 OG1 THR A 24 16.969 -23.488 2.425 1.00 21.63 O ATOM 189 CG2 THR A 24 16.322 -21.829 0.818 1.00 17.49 C ATOM 190 N TYR A 25 15.687 -21.617 5.184 1.00 16.19 N ATOM 191 CA TYR A 25 15.488 -22.055 6.557 1.00 18.95 C ATOM 192 C TYR A 25 15.994 -23.485 6.734 1.00 20.00 C ATOM 193 O TYR A 25 16.683 -23.798 7.709 1.00 18.35 O ATOM 194 CB TYR A 25 14.004 -22.008 6.943 1.00 21.34 C ATOM 195 CG TYR A 25 13.372 -20.632 6.916 1.00 22.59 C ATOM 196 CD1 TYR A 25 14.147 -19.482 7.046 1.00 23.39 C ATOM 197 CD2 TYR A 25 11.993 -20.485 6.797 1.00 22.13 C ATOM 198 CE1 TYR A 25 13.564 -18.215 7.056 1.00 24.53 C ATOM 199 CE2 TYR A 25 11.396 -19.225 6.810 1.00 25.62 C ATOM 200 CZ TYR A 25 12.189 -18.095 6.939 1.00 27.52 C ATOM 201 OH TYR A 25 11.608 -16.847 6.954 1.00 29.39 O ATOM 202 N GLY A 26 15.649 -24.346 5.781 1.00 20.45 N ATOM 203 CA GLY A 26 16.058 -25.739 5.843 1.00 22.77 C ATOM 204 C GLY A 26 17.558 -25.930 5.782 1.00 24.45 C ATOM 205 O GLY A 26 18.127 -26.707 6.551 1.00 23.84 O ATOM 206 N GLU A 27 18.201 -25.227 4.857 1.00 24.76 N ATOM 207 CA GLU A 27 19.647 -25.317 4.700 1.00 24.39 C ATOM 208 C GLU A 27 20.358 -24.843 5.960 1.00 22.64 C ATOM 209 O GLU A 27 21.304 -25.476 6.429 1.00 19.62 O ATOM 210 CB GLU A 27 20.102 -24.469 3.508 1.00 24.26 C ATOM 211 CG GLU A 27 19.734 -25.036 2.157 1.00 31.58 C ATOM 212 CD GLU A 27 20.476 -26.323 1.853 1.00 37.29 C ATOM 213 OE1 GLU A 27 19.832 -27.391 1.811 1.00 38.30 O ATOM 214 OE2 GLU A 27 21.708 -26.266 1.664 1.00 37.34 O ATOM 215 N ILE A 28 19.902 -23.725 6.511 1.00 17.56 N ATOM 216 CA ILE A 28 20.527 -23.178 7.711 1.00 19.82 C ATOM 217 C ILE A 28 20.361 -24.132 8.885 1.00 23.31 C ATOM 218 O ILE A 28 21.309 -24.365 9.642 1.00 23.51 O ATOM 219 CB ILE A 28 19.927 -21.804 8.073 1.00 20.91 C ATOM 220 CG1 ILE A 28 20.277 -20.785 6.983 1.00 21.63 C ATOM 221 CG2 ILE A 28 20.426 -21.348 9.444 1.00 22.14 C ATOM 222 CD1 ILE A 28 21.768 -20.481 6.844 1.00 24.36 C ATOM 223 N ALA A 29 19.163 -24.688 9.033 1.00 22.49 N ATOM 224 CA ALA A 29 18.891 -25.617 10.126 1.00 25.82 C ATOM 225 C ALA A 29 19.831 -26.813 10.058 1.00 24.36 C ATOM 226 O ALA A 29 20.350 -27.256 11.074 1.00 27.52 O ATOM 227 CB ALA A 29 17.442 -26.081 10.074 1.00 35.36 C ATOM 228 N ARG A 30 20.056 -27.329 8.855 1.00 29.79 N ATOM 229 CA ARG A 30 20.949 -28.466 8.675 1.00 30.17 C ATOM 230 C ARG A 30 22.396 -28.024 8.881 1.00 32.48 C ATOM 231 O ARG A 30 23.235 -28.796 9.356 1.00 32.16 O ATOM 232 CB ARG A 30 20.770 -29.071 7.274 1.00 26.36 C ATOM 233 CG ARG A 30 19.441 -29.804 7.065 1.00 22.57 C ATOM 234 CD ARG A 30 19.379 -30.523 5.708 1.00 23.27 C ATOM 235 NE ARG A 30 19.093 -29.634 4.577 1.00 26.18 N ATOM 236 CZ ARG A 30 17.891 -29.128 4.299 1.00 26.98 C ATOM 237 NH1 ARG A 30 16.847 -29.416 5.069 1.00 25.84 N ATOM 238 NH2 ARG A 30 17.726 -28.336 3.243 1.00 24.77 N ATOM 239 N TYR A 31 22.679 -26.772 8.539 1.00 27.21 N ATOM 240 CA TYR A 31 24.024 -26.229 8.690 1.00 30.19 C ATOM 241 C TYR A 31 24.438 -26.055 10.158 1.00 28.77 C ATOM 242 O TYR A 31 25.597 -26.273 10.506 1.00 30.88 O ATOM 243 CB TYR A 31 24.134 -24.882 7.975 1.00 28.02 C ATOM 244 CG TYR A 31 25.503 -24.257 8.081 1.00 30.54 C ATOM 245 CD1 TYR A 31 26.609 -24.855 7.486 1.00 32.85 C ATOM 246 CD2 TYR A 31 25.692 -23.059 8.771 1.00 31.80 C ATOM 247 CE1 TYR A 31 27.871 -24.276 7.570 1.00 32.06 C ATOM 248 CE2 TYR A 31 26.948 -22.475 8.862 1.00 30.06 C ATOM 249 CZ TYR A 31 28.030 -23.089 8.256 1.00 32.69 C ATOM 250 OH TYR A 31 29.271 -22.507 8.324 1.00 33.53 O ATOM 251 N VAL A 32 23.500 -25.657 11.012 1.00 23.43 N ATOM 252 CA VAL A 32 23.809 -25.463 12.425 1.00 26.04 C ATOM 253 C VAL A 32 23.584 -26.712 13.277 1.00 27.42 C ATOM 254 O VAL A 32 23.519 -26.624 14.504 1.00 26.62 O ATOM 255 CB VAL A 32 22.997 -24.295 13.036 1.00 25.38 C ATOM 256 CG1 VAL A 32 23.317 -23.011 12.307 1.00 23.40 C ATOM 257 CG2 VAL A 32 21.511 -24.595 12.991 1.00 27.45 C ATOM 258 N GLY A 33 23.456 -27.864 12.621 1.00 33.82 N ATOM 259 CA GLY A 33 23.260 -29.123 13.328 1.00 36.17 C ATOM 260 C GLY A 33 21.913 -29.339 13.999 1.00 39.56 C ATOM 261 O GLY A 33 21.829 -30.049 15.005 1.00 41.23 O ATOM 262 N MET A 34 20.859 -28.748 13.446 1.00 27.75 N ATOM 263 CA MET A 34 19.513 -28.884 14.002 1.00 27.80 C ATOM 264 C MET A 34 18.548 -29.123 12.837 1.00 27.27 C ATOM 265 O MET A 34 17.556 -28.406 12.680 1.00 27.80 O ATOM 266 CB MET A 34 19.127 -27.600 14.742 1.00 44.85 C ATOM 267 CG MET A 34 20.142 -27.136 15.772 1.00 49.78 C ATOM 268 SD MET A 34 19.548 -27.344 17.454 1.00 60.09 S ATOM 269 CE MET A 34 19.902 -29.061 17.703 1.00 50.34 C ATOM 270 N PRO A 35 18.822 -30.151 12.023 1.00 35.25 N ATOM 271 CA PRO A 35 18.027 -30.531 10.848 1.00 35.47 C ATOM 272 C PRO A 35 16.502 -30.526 10.953 1.00 34.18 C ATOM 273 O PRO A 35 15.823 -30.330 9.950 1.00 36.36 O ATOM 274 CB PRO A 35 18.589 -31.907 10.480 1.00 40.10 C ATOM 275 CG PRO A 35 19.128 -32.423 11.787 1.00 42.35 C ATOM 276 CD PRO A 35 19.799 -31.207 12.341 1.00 39.52 C ATOM 277 N SER A 36 15.956 -30.726 12.145 1.00 32.46 N ATOM 278 CA SER A 36 14.502 -30.743 12.293 1.00 32.33 C ATOM 279 C SER A 36 13.922 -29.407 12.750 1.00 32.16 C ATOM 280 O SER A 36 12.713 -29.296 12.963 1.00 32.12 O ATOM 281 CB SER A 36 14.084 -31.821 13.297 1.00 29.19 C ATOM 282 OG SER A 36 14.460 -31.452 14.613 1.00 32.21 O ATOM 283 N TYR A 37 14.774 -28.394 12.880 1.00 27.16 N ATOM 284 CA TYR A 37 14.329 -27.090 13.358 1.00 24.92 C ATOM 285 C TYR A 37 14.114 -26.016 12.298 1.00 24.26 C ATOM 286 O TYR A 37 14.229 -24.827 12.595 1.00 24.22 O ATOM 287 CB TYR A 37 15.316 -26.562 14.407 1.00 37.31 C ATOM 288 CG TYR A 37 15.309 -27.342 15.703 1.00 39.10 C ATOM 289 CD1 TYR A 37 15.701 -28.680 15.738 1.00 44.01 C ATOM 290 CD2 TYR A 37 14.882 -26.750 16.891 1.00 43.10 C ATOM 291 CE1 TYR A 37 15.665 -29.413 16.925 1.00 46.63 C ATOM 292 CE2 TYR A 37 14.841 -27.475 18.087 1.00 46.98 C ATOM 293 CZ TYR A 37 15.234 -28.806 18.095 1.00 47.28 C ATOM 294 OH TYR A 37 15.199 -29.528 19.270 1.00 51.02 O ATOM 295 N ALA A 38 13.784 -26.420 11.076 1.00 20.90 N ATOM 296 CA ALA A 38 13.574 -25.457 10.006 1.00 22.12 C ATOM 297 C ALA A 38 12.503 -24.429 10.356 1.00 21.73 C ATOM 298 O ALA A 38 12.667 -23.253 10.068 1.00 17.50 O ATOM 299 CB ALA A 38 13.218 -26.173 8.704 1.00 18.04 C ATOM 300 N ARG A 39 11.412 -24.851 10.988 1.00 25.20 N ATOM 301 CA ARG A 39 10.377 -23.883 11.329 1.00 26.36 C ATOM 302 C ARG A 39 10.848 -22.941 12.425 1.00 27.25 C ATOM 303 O ARG A 39 10.458 -21.771 12.454 1.00 27.62 O ATOM 304 CB ARG A 39 9.075 -24.587 11.730 1.00 38.43 C ATOM 305 CG ARG A 39 8.366 -25.247 10.543 1.00 40.33 C ATOM 306 CD ARG A 39 6.992 -25.803 10.925 1.00 46.71 C ATOM 307 NE ARG A 39 6.019 -24.747 11.191 1.00 51.48 N ATOM 308 CZ ARG A 39 4.816 -24.956 11.719 1.00 54.95 C ATOM 309 NH1 ARG A 39 4.433 -26.182 12.041 1.00 54.61 N ATOM 310 NH2 ARG A 39 3.994 -23.938 11.925 1.00 58.53 N ATOM 311 N GLN A 40 11.698 -23.447 13.315 1.00 25.79 N ATOM 312 CA GLN A 40 12.244 -22.629 14.393 1.00 27.56 C ATOM 313 C GLN A 40 13.169 -21.586 13.781 1.00 26.65 C ATOM 314 O GLN A 40 13.192 -20.434 14.219 1.00 26.86 O ATOM 315 CB GLN A 40 13.029 -23.485 15.392 1.00 32.86 C ATOM 316 CG GLN A 40 12.172 -24.325 16.325 1.00 37.20 C ATOM 317 CD GLN A 40 11.397 -25.401 15.601 1.00 40.32 C ATOM 318 OE1 GLN A 40 11.950 -26.139 14.788 1.00 43.39 O ATOM 319 NE2 GLN A 40 10.108 -25.507 15.903 1.00 45.61 N ATOM 320 N VAL A 41 13.940 -22.003 12.778 1.00 26.50 N ATOM 321 CA VAL A 41 14.837 -21.085 12.085 1.00 26.28 C ATOM 322 C VAL A 41 13.970 -19.972 11.498 1.00 27.29 C ATOM 323 O VAL A 41 14.292 -18.787 11.618 1.00 24.35 O ATOM 324 CB VAL A 41 15.589 -21.795 10.942 1.00 23.10 C ATOM 325 CG1 VAL A 41 16.340 -20.773 10.078 1.00 19.29 C ATOM 326 CG2 VAL A 41 16.556 -22.804 11.518 1.00 18.41 C ATOM 327 N GLY A 42 12.862 -20.362 10.867 1.00 23.07 N ATOM 328 CA GLY A 42 11.960 -19.378 10.291 1.00 21.68 C ATOM 329 C GLY A 42 11.443 -18.407 11.340 1.00 21.74 C ATOM 330 O GLY A 42 11.268 -17.220 11.078 1.00 20.33 O ATOM 331 N GLN A 43 11.207 -18.915 12.541 1.00 22.07 N ATOM 332 CA GLN A 43 10.722 -18.096 13.643 1.00 24.51 C ATOM 333 C GLN A 43 11.816 -17.107 14.060 1.00 23.76 C ATOM 334 O GLN A 43 11.554 -15.923 14.277 1.00 20.35 O ATOM 335 CB GLN A 43 10.346 -19.002 14.815 1.00 47.99 C ATOM 336 CG GLN A 43 9.060 -18.623 15.535 1.00 58.51 C ATOM 337 CD GLN A 43 7.848 -18.628 14.619 1.00 61.38 C ATOM 338 OE1 GLN A 43 7.600 -19.600 13.908 1.00 67.57 O ATOM 339 NE2 GLN A 43 7.083 -17.540 14.639 1.00 59.77 N ATOM 340 N ALA A 44 13.044 -17.596 14.173 1.00 24.85 N ATOM 341 CA ALA A 44 14.165 -16.735 14.546 1.00 27.15 C ATOM 342 C ALA A 44 14.271 -15.571 13.567 1.00 26.15 C ATOM 343 O ALA A 44 14.426 -14.414 13.963 1.00 27.46 O ATOM 344 CB ALA A 44 15.468 -17.530 14.538 1.00 25.09 C ATOM 345 N MET A 45 14.184 -15.892 12.281 1.00 28.01 N ATOM 346 CA MET A 45 14.289 -14.889 11.230 1.00 27.12 C ATOM 347 C MET A 45 13.132 -13.905 11.267 1.00 28.98 C ATOM 348 O MET A 45 13.308 -12.711 11.007 1.00 28.85 O ATOM 349 CB MET A 45 14.352 -15.570 9.855 1.00 16.98 C ATOM 350 CG MET A 45 15.583 -16.429 9.667 1.00 18.22 C ATOM 351 SD MET A 45 17.065 -15.503 10.114 1.00 22.73 S ATOM 352 CE MET A 45 17.132 -14.334 8.741 1.00 19.79 C ATOM 353 N LYS A 46 11.950 -14.403 11.603 1.00 24.44 N ATOM 354 CA LYS A 46 10.773 -13.547 11.658 1.00 29.98 C ATOM 355 C LYS A 46 10.770 -12.605 12.860 1.00 28.81 C ATOM 356 O LYS A 46 10.115 -11.567 12.834 1.00 29.30 O ATOM 357 CB LYS A 46 9.503 -14.404 11.636 1.00 46.41 C ATOM 358 CG LYS A 46 9.363 -15.221 10.354 1.00 52.42 C ATOM 359 CD LYS A 46 8.027 -15.945 10.265 1.00 57.26 C ATOM 360 CE LYS A 46 6.873 -14.967 10.079 1.00 61.07 C ATOM 361 NZ LYS A 46 5.595 -15.661 9.734 1.00 61.80 N ATOM 362 N HIS A 47 11.523 -12.947 13.899 1.00 33.36 N ATOM 363 CA HIS A 47 11.582 -12.104 15.089 1.00 36.28 C ATOM 364 C HIS A 47 12.691 -11.053 15.045 1.00 35.16 C ATOM 365 O HIS A 47 12.876 -10.309 16.006 1.00 35.59 O ATOM 366 CB HIS A 47 11.738 -12.970 16.342 1.00 68.79 C ATOM 367 CG HIS A 47 10.556 -13.848 16.618 1.00 76.12 C ATOM 368 ND1 HIS A 47 10.492 -14.690 17.708 1.00 78.61 N ATOM 369 CD2 HIS A 47 9.392 -14.016 15.945 1.00 78.43 C ATOM 370 CE1 HIS A 47 9.341 -15.339 17.695 1.00 78.71 C ATOM 371 NE2 HIS A 47 8.655 -14.949 16.636 1.00 81.80 N ATOM 372 N LEU A 48 13.424 -10.988 13.936 1.00 34.92 N ATOM 373 CA LEU A 48 14.508 -10.018 13.795 1.00 31.55 C ATOM 374 C LEU A 48 13.990 -8.601 13.632 1.00 33.59 C ATOM 375 O LEU A 48 12.980 -8.370 12.967 1.00 33.11 O ATOM 376 CB LEU A 48 15.392 -10.357 12.592 1.00 26.37 C ATOM 377 CG LEU A 48 16.560 -11.322 12.804 1.00 24.91 C ATOM 378 CD1 LEU A 48 17.244 -11.629 11.464 1.00 20.95 C ATOM 379 CD2 LEU A 48 17.556 -10.704 13.780 1.00 23.49 C ATOM 380 N HIS A 49 14.689 -7.654 14.248 1.00 30.83 N ATOM 381 CA HIS A 49 14.322 -6.246 14.146 1.00 27.97 C ATOM 382 C HIS A 49 14.597 -5.819 12.698 1.00 27.57 C ATOM 383 O HIS A 49 15.624 -6.183 12.121 1.00 26.87 O ATOM 384 CB HIS A 49 15.174 -5.417 15.105 1.00 26.86 C ATOM 385 CG HIS A 49 14.799 -3.971 15.153 1.00 27.26 C ATOM 386 ND1 HIS A 49 13.802 -3.485 15.972 1.00 31.84 N ATOM 387 CD2 HIS A 49 15.281 -2.902 14.476 1.00 28.56 C ATOM 388 CE1 HIS A 49 13.690 -2.181 15.800 1.00 31.60 C ATOM 389 NE2 HIS A 49 14.576 -1.802 14.899 1.00 28.25 N ATOM 390 N PRO A 50 13.683 -5.044 12.096 1.00 28.45 N ATOM 391 CA PRO A 50 13.854 -4.588 10.715 1.00 31.59 C ATOM 392 C PRO A 50 15.159 -3.850 10.431 1.00 31.01 C ATOM 393 O PRO A 50 15.593 -3.783 9.286 1.00 31.61 O ATOM 394 CB PRO A 50 12.616 -3.716 10.478 1.00 33.74 C ATOM 395 CG PRO A 50 12.260 -3.240 11.855 1.00 35.49 C ATOM 396 CD PRO A 50 12.454 -4.481 12.681 1.00 32.94 C ATOM 397 N GLU A 51 15.784 -3.305 11.473 1.00 29.28 N ATOM 398 CA GLU A 51 17.042 -2.577 11.314 1.00 27.93 C ATOM 399 C GLU A 51 18.273 -3.383 11.729 1.00 26.02 C ATOM 400 O GLU A 51 19.370 -2.842 11.837 1.00 21.69 O ATOM 401 CB GLU A 51 16.993 -1.263 12.101 1.00 37.88 C ATOM 402 CG GLU A 51 16.109 -0.215 11.449 1.00 42.79 C ATOM 403 CD GLU A 51 16.577 0.119 10.045 1.00 45.86 C ATOM 404 OE1 GLU A 51 17.705 0.643 9.902 1.00 50.40 O ATOM 405 OE2 GLU A 51 15.827 -0.150 9.084 1.00 46.75 O ATOM 406 N THR A 52 18.086 -4.680 11.952 1.00 27.44 N ATOM 407 CA THR A 52 19.188 -5.562 12.338 1.00 24.55 C ATOM 408 C THR A 52 20.337 -5.525 11.336 1.00 24.80 C ATOM 409 O THR A 52 20.162 -5.158 10.173 1.00 23.63 O ATOM 410 CB THR A 52 18.731 -7.030 12.436 1.00 19.89 C ATOM 411 OG1 THR A 52 19.839 -7.850 12.832 1.00 20.17 O ATOM 412 CG2 THR A 52 18.234 -7.518 11.079 1.00 18.22 C ATOM 413 N HIS A 53 21.508 -5.940 11.805 1.00 25.77 N ATOM 414 CA HIS A 53 22.720 -6.002 11.000 1.00 25.95 C ATOM 415 C HIS A 53 22.772 -7.359 10.292 1.00 23.12 C ATOM 416 O HIS A 53 23.481 -7.522 9.304 1.00 21.73 O ATOM 417 CB HIS A 53 23.939 -5.880 11.909 1.00 31.30 C ATOM 418 CG HIS A 53 24.111 -7.052 12.826 1.00 35.88 C ATOM 419 ND1 HIS A 53 24.911 -8.131 12.513 1.00 37.45 N ATOM 420 CD2 HIS A 53 23.542 -7.340 14.020 1.00 35.32 C ATOM 421 CE1 HIS A 53 24.829 -9.032 13.476 1.00 38.88 C ATOM 422 NE2 HIS A 53 24.005 -8.576 14.403 1.00 37.52 N ATOM 423 N VAL A 54 22.037 -8.336 10.820 1.00 19.94 N ATOM 424 CA VAL A 54 22.015 -9.670 10.225 1.00 21.18 C ATOM 425 C VAL A 54 21.500 -9.560 8.789 1.00 18.46 C ATOM 426 O VAL A 54 20.466 -8.946 8.546 1.00 20.96 O ATOM 427 CB VAL A 54 21.106 -10.625 11.035 1.00 21.57 C ATOM 428 CG1 VAL A 54 21.060 -11.995 10.369 1.00 24.97 C ATOM 429 CG2 VAL A 54 21.633 -10.757 12.460 1.00 23.86 C ATOM 430 N PRO A 55 22.225 -10.146 7.817 1.00 22.69 N ATOM 431 CA PRO A 55 21.807 -10.086 6.410 1.00 20.49 C ATOM 432 C PRO A 55 20.637 -11.007 6.063 1.00 20.54 C ATOM 433 O PRO A 55 20.753 -11.875 5.193 1.00 22.30 O ATOM 434 CB PRO A 55 23.080 -10.457 5.658 1.00 20.90 C ATOM 435 CG PRO A 55 23.723 -11.445 6.583 1.00 21.11 C ATOM 436 CD PRO A 55 23.540 -10.805 7.950 1.00 19.04 C ATOM 437 N TRP A 56 19.508 -10.788 6.732 1.00 16.14 N ATOM 438 CA TRP A 56 18.299 -11.586 6.531 1.00 17.94 C ATOM 439 C TRP A 56 17.811 -11.632 5.089 1.00 17.28 C ATOM 440 O TRP A 56 17.095 -12.552 4.697 1.00 16.33 O ATOM 441 CB TRP A 56 17.167 -11.047 7.413 1.00 18.19 C ATOM 442 CG TRP A 56 16.868 -9.603 7.144 1.00 22.01 C ATOM 443 CD1 TRP A 56 17.474 -8.518 7.713 1.00 17.40 C ATOM 444 CD2 TRP A 56 15.955 -9.088 6.173 1.00 20.74 C ATOM 445 NE1 TRP A 56 16.999 -7.361 7.153 1.00 24.18 N ATOM 446 CE2 TRP A 56 16.064 -7.679 6.203 1.00 23.48 C ATOM 447 CE3 TRP A 56 15.059 -9.679 5.277 1.00 19.82 C ATOM 448 CZ2 TRP A 56 15.309 -6.849 5.368 1.00 25.05 C ATOM 449 CZ3 TRP A 56 14.305 -8.855 4.444 1.00 24.39 C ATOM 450 CH2 TRP A 56 14.438 -7.454 4.496 1.00 22.40 C ATOM 451 N HIS A 57 18.191 -10.642 4.292 1.00 16.94 N ATOM 452 CA HIS A 57 17.735 -10.608 2.912 1.00 18.84 C ATOM 453 C HIS A 57 18.305 -11.763 2.093 1.00 17.83 C ATOM 454 O HIS A 57 17.791 -12.074 1.018 1.00 13.99 O ATOM 455 CB HIS A 57 18.096 -9.265 2.262 1.00 19.41 C ATOM 456 CG HIS A 57 19.567 -9.008 2.187 1.00 18.60 C ATOM 457 ND1 HIS A 57 20.333 -8.736 3.299 1.00 17.70 N ATOM 458 CD2 HIS A 57 20.424 -9.037 1.139 1.00 20.54 C ATOM 459 CE1 HIS A 57 21.598 -8.612 2.942 1.00 18.77 C ATOM 460 NE2 HIS A 57 21.683 -8.792 1.636 1.00 15.09 N ATOM 461 N ARG A 58 19.355 -12.405 2.605 1.00 16.12 N ATOM 462 CA ARG A 58 19.969 -13.528 1.899 1.00 15.09 C ATOM 463 C ARG A 58 19.279 -14.861 2.183 1.00 18.64 C ATOM 464 O ARG A 58 19.678 -15.898 1.663 1.00 19.88 O ATOM 465 CB ARG A 58 21.459 -13.620 2.242 1.00 17.80 C ATOM 466 CG ARG A 58 22.250 -12.437 1.695 1.00 20.09 C ATOM 467 CD ARG A 58 23.710 -12.477 2.081 1.00 17.73 C ATOM 468 NE ARG A 58 24.339 -11.192 1.789 1.00 22.66 N ATOM 469 CZ ARG A 58 25.395 -10.708 2.437 1.00 23.70 C ATOM 470 NH1 ARG A 58 25.956 -11.407 3.414 1.00 19.69 N ATOM 471 NH2 ARG A 58 25.858 -9.501 2.139 1.00 21.47 N ATOM 472 N VAL A 59 18.243 -14.836 3.009 1.00 19.73 N ATOM 473 CA VAL A 59 17.494 -16.053 3.312 1.00 21.96 C ATOM 474 C VAL A 59 16.163 -15.971 2.547 1.00 23.06 C ATOM 475 O VAL A 59 15.396 -15.024 2.721 1.00 19.60 O ATOM 476 CB VAL A 59 17.231 -16.184 4.838 1.00 17.59 C ATOM 477 CG1 VAL A 59 16.546 -17.509 5.144 1.00 19.71 C ATOM 478 CG2 VAL A 59 18.550 -16.107 5.601 1.00 17.87 C ATOM 479 N ILE A 60 15.907 -16.946 1.677 1.00 20.25 N ATOM 480 CA ILE A 60 14.681 -16.950 0.882 1.00 25.88 C ATOM 481 C ILE A 60 14.010 -18.308 0.986 1.00 24.44 C ATOM 482 O ILE A 60 14.624 -19.259 1.453 1.00 25.47 O ATOM 483 CB ILE A 60 14.978 -16.677 -0.615 1.00 28.25 C ATOM 484 CG1 ILE A 60 15.841 -17.802 -1.197 1.00 26.33 C ATOM 485 CG2 ILE A 60 15.701 -15.349 -0.766 1.00 35.50 C ATOM 486 CD1 ILE A 60 16.116 -17.657 -2.685 1.00 34.51 C ATOM 487 N ASN A 61 12.758 -18.418 0.551 1.00 26.64 N ATOM 488 CA ASN A 61 12.115 -19.719 0.635 1.00 27.62 C ATOM 489 C ASN A 61 12.676 -20.650 -0.433 1.00 25.62 C ATOM 490 O ASN A 61 13.256 -20.205 -1.431 1.00 19.59 O ATOM 491 CB ASN A 61 10.583 -19.598 0.549 1.00 42.08 C ATOM 492 CG ASN A 61 10.116 -18.853 -0.670 1.00 44.71 C ATOM 493 OD1 ASN A 61 10.253 -19.331 -1.793 1.00 48.56 O ATOM 494 ND2 ASN A 61 9.545 -17.668 -0.455 1.00 46.86 N ATOM 495 N SER A 62 12.521 -21.947 -0.195 1.00 29.38 N ATOM 496 CA SER A 62 13.029 -22.988 -1.080 1.00 29.21 C ATOM 497 C SER A 62 12.615 -22.877 -2.544 1.00 29.88 C ATOM 498 O SER A 62 13.348 -23.329 -3.430 1.00 28.74 O ATOM 499 CB SER A 62 12.610 -24.359 -0.544 1.00 33.04 C ATOM 500 OG SER A 62 12.927 -24.467 0.831 1.00 42.56 O ATOM 501 N ARG A 63 11.454 -22.281 -2.802 1.00 22.68 N ATOM 502 CA ARG A 63 10.966 -22.142 -4.169 1.00 27.46 C ATOM 503 C ARG A 63 11.670 -21.041 -4.960 1.00 28.75 C ATOM 504 O ARG A 63 11.453 -20.904 -6.165 1.00 30.57 O ATOM 505 CB ARG A 63 9.459 -21.881 -4.160 1.00 30.59 C ATOM 506 CG ARG A 63 8.659 -22.923 -3.393 1.00 30.38 C ATOM 507 CD ARG A 63 7.170 -22.715 -3.589 1.00 35.19 C ATOM 508 NE ARG A 63 6.782 -23.051 -4.953 1.00 36.29 N ATOM 509 CZ ARG A 63 5.593 -22.788 -5.482 1.00 36.41 C ATOM 510 NH1 ARG A 63 4.664 -22.179 -4.763 1.00 41.70 N ATOM 511 NH2 ARG A 63 5.333 -23.141 -6.729 1.00 34.63 N ATOM 512 N GLY A 64 12.508 -20.261 -4.281 1.00 30.19 N ATOM 513 CA GLY A 64 13.231 -19.188 -4.944 1.00 25.64 C ATOM 514 C GLY A 64 12.473 -17.874 -4.979 1.00 25.29 C ATOM 515 O GLY A 64 12.946 -16.891 -5.548 1.00 22.83 O ATOM 516 N THR A 65 11.291 -17.844 -4.372 1.00 18.05 N ATOM 517 CA THR A 65 10.496 -16.628 -4.360 1.00 21.51 C ATOM 518 C THR A 65 10.790 -15.795 -3.125 1.00 23.83 C ATOM 519 O THR A 65 11.296 -16.309 -2.127 1.00 22.08 O ATOM 520 CB THR A 65 8.992 -16.955 -4.413 1.00 26.92 C ATOM 521 OG1 THR A 65 8.708 -18.032 -3.512 1.00 29.09 O ATOM 522 CG2 THR A 65 8.592 -17.362 -5.817 1.00 27.75 C ATOM 523 N ILE A 66 10.484 -14.505 -3.199 1.00 25.95 N ATOM 524 CA ILE A 66 10.722 -13.610 -2.075 1.00 33.15 C ATOM 525 C ILE A 66 9.513 -12.724 -1.797 1.00 39.03 C ATOM 526 O ILE A 66 9.562 -11.854 -0.924 1.00 39.90 O ATOM 527 CB ILE A 66 11.943 -12.700 -2.334 1.00 32.97 C ATOM 528 CG1 ILE A 66 11.706 -11.863 -3.589 1.00 30.02 C ATOM 529 CG2 ILE A 66 13.199 -13.545 -2.515 1.00 35.38 C ATOM 530 CD1 ILE A 66 12.836 -10.895 -3.900 1.00 29.94 C ATOM 531 N SER A 67 8.430 -12.941 -2.537 1.00 48.42 N ATOM 532 CA SER A 67 7.234 -12.130 -2.344 1.00 55.79 C ATOM 533 C SER A 67 5.995 -12.684 -3.039 1.00 60.54 C ATOM 534 O SER A 67 6.038 -13.719 -3.706 1.00 60.21 O ATOM 535 CB SER A 67 7.481 -10.708 -2.849 1.00 49.64 C ATOM 536 OG SER A 67 7.621 -10.695 -4.256 1.00 49.06 O ATOM 537 N LYS A 68 4.894 -11.958 -2.863 1.00 77.01 N ATOM 538 CA LYS A 68 3.602 -12.279 -3.458 1.00 82.01 C ATOM 539 C LYS A 68 3.136 -10.911 -3.941 1.00 84.78 C ATOM 540 O LYS A 68 3.368 -9.916 -3.252 1.00 86.01 O ATOM 541 CB LYS A 68 2.650 -12.813 -2.387 1.00 80.49 C ATOM 542 CG LYS A 68 3.278 -13.850 -1.461 1.00 81.99 C ATOM 543 CD LYS A 68 2.329 -14.248 -0.331 1.00 82.51 C ATOM 544 CE LYS A 68 2.993 -15.191 0.660 1.00 83.08 C ATOM 545 NZ LYS A 68 3.409 -16.485 0.046 1.00 82.57 N ATOM 546 N ARG A 69 2.491 -10.840 -5.105 1.00 87.81 N ATOM 547 CA ARG A 69 2.053 -9.541 -5.605 1.00 89.71 C ATOM 548 C ARG A 69 1.228 -8.784 -4.577 1.00 90.59 C ATOM 549 O ARG A 69 0.032 -9.013 -4.409 1.00 91.28 O ATOM 550 CB ARG A 69 1.280 -9.675 -6.916 1.00 86.38 C ATOM 551 CG ARG A 69 1.799 -8.720 -7.986 1.00 87.60 C ATOM 552 CD ARG A 69 1.759 -7.273 -7.509 1.00 88.79 C ATOM 553 NE ARG A 69 2.956 -6.519 -7.883 1.00 90.47 N ATOM 554 CZ ARG A 69 3.370 -6.330 -9.133 1.00 91.92 C ATOM 555 NH1 ARG A 69 4.470 -5.627 -9.373 1.00 91.00 N ATOM 556 NH2 ARG A 69 2.689 -6.848 -10.147 1.00 92.46 N ATOM 557 N ASP A 70 1.919 -7.872 -3.906 1.00 94.11 N ATOM 558 CA ASP A 70 1.401 -7.015 -2.849 1.00 93.91 C ATOM 559 C ASP A 70 2.661 -6.636 -2.095 1.00 92.78 C ATOM 560 O ASP A 70 2.611 -6.046 -1.013 1.00 93.31 O ATOM 561 CB ASP A 70 0.456 -7.780 -1.919 1.00 97.63 C ATOM 562 CG ASP A 70 -0.999 -7.592 -2.290 1.00 98.77 C ATOM 563 OD1 ASP A 70 -1.865 -8.089 -1.542 1.00 98.77 O ATOM 564 OD2 ASP A 70 -1.275 -6.947 -3.327 1.00 98.77 O ATOM 565 N ILE A 71 3.791 -7.006 -2.695 1.00 87.97 N ATOM 566 CA ILE A 71 5.123 -6.751 -2.163 1.00 85.69 C ATOM 567 C ILE A 71 5.127 -5.825 -0.951 1.00 83.79 C ATOM 568 O ILE A 71 4.974 -4.608 -1.073 1.00 84.93 O ATOM 569 CB ILE A 71 6.044 -6.173 -3.275 1.00 75.42 C ATOM 570 CG1 ILE A 71 7.421 -5.820 -2.703 1.00 75.60 C ATOM 571 CG2 ILE A 71 5.384 -4.964 -3.919 1.00 76.66 C ATOM 572 CD1 ILE A 71 8.406 -5.345 -3.745 1.00 75.92 C ATOM 573 N SER A 72 5.295 -6.428 0.222 1.00 64.39 N ATOM 574 CA SER A 72 5.335 -5.696 1.477 1.00 60.14 C ATOM 575 C SER A 72 6.615 -4.870 1.523 1.00 56.32 C ATOM 576 O SER A 72 7.493 -5.024 0.672 1.00 55.35 O ATOM 577 CB SER A 72 5.311 -6.678 2.655 1.00 59.61 C ATOM 578 OG SER A 72 6.414 -7.567 2.598 1.00 57.79 O ATOM 579 N ALA A 73 6.719 -3.991 2.515 1.00 47.71 N ATOM 580 CA ALA A 73 7.910 -3.164 2.657 1.00 43.24 C ATOM 581 C ALA A 73 9.125 -4.077 2.804 1.00 39.92 C ATOM 582 O ALA A 73 10.149 -3.874 2.151 1.00 37.00 O ATOM 583 CB ALA A 73 7.780 -2.258 3.864 1.00 43.91 C ATOM 584 N GLY A 74 8.996 -5.094 3.652 1.00 43.55 N ATOM 585 CA GLY A 74 10.086 -6.031 3.863 1.00 40.49 C ATOM 586 C GLY A 74 10.486 -6.733 2.578 1.00 37.26 C ATOM 587 O GLY A 74 11.669 -6.862 2.267 1.00 37.62 O ATOM 588 N GLU A 75 9.494 -7.192 1.826 1.00 35.62 N ATOM 589 CA GLU A 75 9.751 -7.876 0.566 1.00 34.15 C ATOM 590 C GLU A 75 10.443 -6.938 -0.430 1.00 32.69 C ATOM 591 O GLU A 75 11.331 -7.359 -1.177 1.00 28.33 O ATOM 592 CB GLU A 75 8.436 -8.417 0.000 1.00 38.44 C ATOM 593 CG GLU A 75 7.865 -9.562 0.842 1.00 45.99 C ATOM 594 CD GLU A 75 6.472 -9.995 0.415 1.00 49.09 C ATOM 595 OE1 GLU A 75 5.965 -10.999 0.965 1.00 52.23 O ATOM 596 OE2 GLU A 75 5.881 -9.334 -0.466 1.00 52.76 O ATOM 597 N GLN A 76 10.049 -5.666 -0.422 1.00 29.63 N ATOM 598 CA GLN A 76 10.654 -4.672 -1.311 1.00 29.17 C ATOM 599 C GLN A 76 12.099 -4.439 -0.872 1.00 25.20 C ATOM 600 O GLN A 76 12.998 -4.308 -1.706 1.00 22.58 O ATOM 601 CB GLN A 76 9.873 -3.356 -1.253 1.00 32.44 C ATOM 602 CG GLN A 76 10.426 -2.248 -2.149 1.00 36.96 C ATOM 603 CD GLN A 76 10.408 -2.618 -3.618 1.00 43.05 C ATOM 604 OE1 GLN A 76 11.241 -3.399 -4.088 1.00 46.48 O ATOM 605 NE2 GLN A 76 9.448 -2.066 -4.353 1.00 42.89 N ATOM 606 N ARG A 77 12.314 -4.387 0.441 1.00 20.15 N ATOM 607 CA ARG A 77 13.655 -4.201 0.977 1.00 24.05 C ATOM 608 C ARG A 77 14.514 -5.391 0.562 1.00 22.44 C ATOM 609 O ARG A 77 15.630 -5.221 0.074 1.00 21.26 O ATOM 610 CB ARG A 77 13.624 -4.093 2.506 1.00 35.70 C ATOM 611 CG ARG A 77 12.816 -2.917 3.025 1.00 40.90 C ATOM 612 CD ARG A 77 12.872 -2.804 4.543 1.00 44.67 C ATOM 613 NE ARG A 77 14.152 -2.281 5.007 1.00 49.94 N ATOM 614 CZ ARG A 77 14.398 -1.899 6.258 1.00 52.57 C ATOM 615 NH1 ARG A 77 13.450 -1.981 7.182 1.00 54.43 N ATOM 616 NH2 ARG A 77 15.594 -1.428 6.585 1.00 55.46 N ATOM 617 N GLN A 78 13.987 -6.600 0.742 1.00 23.76 N ATOM 618 CA GLN A 78 14.745 -7.791 0.368 1.00 20.76 C ATOM 619 C GLN A 78 15.109 -7.779 -1.113 1.00 20.62 C ATOM 620 O GLN A 78 16.251 -8.070 -1.479 1.00 19.72 O ATOM 621 CB GLN A 78 13.972 -9.066 0.709 1.00 23.65 C ATOM 622 CG GLN A 78 14.670 -10.332 0.231 1.00 20.93 C ATOM 623 CD GLN A 78 14.214 -11.566 0.987 1.00 20.12 C ATOM 624 OE1 GLN A 78 13.049 -11.692 1.337 1.00 19.01 O ATOM 625 NE2 GLN A 78 15.135 -12.483 1.233 1.00 19.73 N ATOM 626 N LYS A 79 14.150 -7.439 -1.966 1.00 19.51 N ATOM 627 CA LYS A 79 14.417 -7.383 -3.397 1.00 19.65 C ATOM 628 C LYS A 79 15.512 -6.356 -3.682 1.00 19.31 C ATOM 629 O LYS A 79 16.488 -6.662 -4.361 1.00 18.59 O ATOM 630 CB LYS A 79 13.142 -7.021 -4.168 1.00 24.70 C ATOM 631 CG LYS A 79 13.341 -6.917 -5.673 1.00 27.78 C ATOM 632 CD LYS A 79 12.005 -6.818 -6.402 1.00 31.75 C ATOM 633 CE LYS A 79 12.204 -6.711 -7.907 1.00 36.80 C ATOM 634 NZ LYS A 79 12.914 -5.458 -8.293 1.00 34.52 N ATOM 635 N ASP A 80 15.349 -5.145 -3.150 1.00 20.98 N ATOM 636 CA ASP A 80 16.328 -4.075 -3.343 1.00 20.07 C ATOM 637 C ASP A 80 17.731 -4.522 -2.939 1.00 21.36 C ATOM 638 O ASP A 80 18.703 -4.304 -3.664 1.00 20.18 O ATOM 639 CB ASP A 80 15.954 -2.841 -2.512 1.00 20.66 C ATOM 640 CG ASP A 80 14.945 -1.931 -3.209 1.00 23.78 C ATOM 641 OD1 ASP A 80 14.554 -2.218 -4.354 1.00 26.05 O ATOM 642 OD2 ASP A 80 14.544 -0.913 -2.604 1.00 27.70 O ATOM 643 N ARG A 81 17.827 -5.147 -1.773 1.00 19.20 N ATOM 644 CA ARG A 81 19.107 -5.599 -1.264 1.00 19.97 C ATOM 645 C ARG A 81 19.715 -6.729 -2.068 1.00 20.48 C ATOM 646 O ARG A 81 20.919 -6.741 -2.299 1.00 18.60 O ATOM 647 CB ARG A 81 18.972 -6.008 0.198 1.00 20.75 C ATOM 648 CG ARG A 81 18.398 -4.907 1.070 1.00 24.19 C ATOM 649 CD ARG A 81 18.492 -5.257 2.544 1.00 26.38 C ATOM 650 NE ARG A 81 17.728 -4.333 3.376 1.00 29.13 N ATOM 651 CZ ARG A 81 17.959 -4.134 4.671 1.00 31.88 C ATOM 652 NH1 ARG A 81 18.940 -4.791 5.276 1.00 32.65 N ATOM 653 NH2 ARG A 81 17.210 -3.285 5.361 1.00 34.61 N ATOM 654 N LEU A 82 18.895 -7.682 -2.498 1.00 19.70 N ATOM 655 CA LEU A 82 19.418 -8.785 -3.295 1.00 16.79 C ATOM 656 C LEU A 82 19.956 -8.273 -4.640 1.00 19.49 C ATOM 657 O LEU A 82 21.044 -8.658 -5.083 1.00 20.02 O ATOM 658 CB LEU A 82 18.328 -9.837 -3.524 1.00 16.45 C ATOM 659 CG LEU A 82 18.077 -10.737 -2.305 1.00 17.45 C ATOM 660 CD1 LEU A 82 16.885 -11.670 -2.544 1.00 14.97 C ATOM 661 CD2 LEU A 82 19.348 -11.537 -2.032 1.00 20.16 C ATOM 662 N GLU A 83 19.195 -7.403 -5.291 1.00 17.68 N ATOM 663 CA GLU A 83 19.639 -6.864 -6.570 1.00 22.92 C ATOM 664 C GLU A 83 20.974 -6.116 -6.440 1.00 23.62 C ATOM 665 O GLU A 83 21.807 -6.172 -7.344 1.00 22.41 O ATOM 666 CB GLU A 83 18.554 -5.962 -7.166 1.00 25.73 C ATOM 667 CG GLU A 83 17.324 -6.761 -7.605 1.00 28.31 C ATOM 668 CD GLU A 83 16.339 -5.957 -8.428 1.00 31.78 C ATOM 669 OE1 GLU A 83 15.801 -4.962 -7.905 1.00 37.24 O ATOM 670 OE2 GLU A 83 16.099 -6.320 -9.602 1.00 35.40 O ATOM 671 N GLU A 84 21.189 -5.446 -5.310 1.00 24.40 N ATOM 672 CA GLU A 84 22.440 -4.722 -5.090 1.00 27.23 C ATOM 673 C GLU A 84 23.642 -5.661 -5.007 1.00 27.16 C ATOM 674 O GLU A 84 24.765 -5.264 -5.315 1.00 27.21 O ATOM 675 CB GLU A 84 22.351 -3.881 -3.818 1.00 29.19 C ATOM 676 CG GLU A 84 21.471 -2.654 -3.957 1.00 33.05 C ATOM 677 CD GLU A 84 21.252 -1.943 -2.642 1.00 33.53 C ATOM 678 OE1 GLU A 84 20.643 -0.854 -2.650 1.00 32.21 O ATOM 679 OE2 GLU A 84 21.683 -2.477 -1.600 1.00 37.38 O ATOM 680 N GLU A 85 23.410 -6.905 -4.592 1.00 27.76 N ATOM 681 CA GLU A 85 24.498 -7.874 -4.497 1.00 27.40 C ATOM 682 C GLU A 85 24.643 -8.717 -5.772 1.00 28.29 C ATOM 683 O GLU A 85 25.295 -9.763 -5.772 1.00 29.65 O ATOM 684 CB GLU A 85 24.308 -8.766 -3.256 1.00 23.39 C ATOM 685 CG GLU A 85 24.278 -7.958 -1.961 1.00 23.27 C ATOM 686 CD GLU A 85 24.126 -8.794 -0.704 1.00 24.64 C ATOM 687 OE1 GLU A 85 23.894 -8.190 0.371 1.00 24.32 O ATOM 688 OE2 GLU A 85 24.241 -10.037 -0.777 1.00 21.00 O ATOM 689 N GLY A 86 24.040 -8.245 -6.861 1.00 25.92 N ATOM 690 CA GLY A 86 24.140 -8.941 -8.135 1.00 25.17 C ATOM 691 C GLY A 86 23.149 -10.055 -8.449 1.00 23.87 C ATOM 692 O GLY A 86 23.297 -10.741 -9.459 1.00 25.41 O ATOM 693 N VAL A 87 22.141 -10.242 -7.607 1.00 22.19 N ATOM 694 CA VAL A 87 21.163 -11.298 -7.835 1.00 19.00 C ATOM 695 C VAL A 87 20.134 -10.870 -8.872 1.00 19.25 C ATOM 696 O VAL A 87 19.514 -9.818 -8.743 1.00 20.58 O ATOM 697 CB VAL A 87 20.412 -11.660 -6.537 1.00 22.57 C ATOM 698 CG1 VAL A 87 19.518 -12.877 -6.768 1.00 19.83 C ATOM 699 CG2 VAL A 87 21.396 -11.902 -5.415 1.00 20.47 C ATOM 700 N GLU A 88 19.960 -11.696 -9.896 1.00 18.21 N ATOM 701 CA GLU A 88 18.999 -11.435 -10.960 1.00 22.01 C ATOM 702 C GLU A 88 17.640 -11.865 -10.440 1.00 22.71 C ATOM 703 O GLU A 88 17.466 -13.008 -10.012 1.00 20.33 O ATOM 704 CB GLU A 88 19.362 -12.244 -12.211 1.00 23.05 C ATOM 705 CG GLU A 88 18.460 -12.017 -13.412 1.00 32.84 C ATOM 706 CD GLU A 88 18.462 -10.573 -13.884 1.00 35.23 C ATOM 707 OE1 GLU A 88 19.511 -9.903 -13.778 1.00 37.90 O ATOM 708 OE2 GLU A 88 17.416 -10.109 -14.375 1.00 41.75 O ATOM 709 N ILE A 89 16.682 -10.947 -10.477 1.00 21.86 N ATOM 710 CA ILE A 89 15.345 -11.225 -9.985 1.00 24.23 C ATOM 711 C ILE A 89 14.310 -10.981 -11.059 1.00 23.92 C ATOM 712 O ILE A 89 14.296 -9.924 -11.684 1.00 25.92 O ATOM 713 CB ILE A 89 15.012 -10.333 -8.761 1.00 25.50 C ATOM 714 CG1 ILE A 89 15.962 -10.668 -7.610 1.00 29.14 C ATOM 715 CG2 ILE A 89 13.563 -10.554 -8.314 1.00 26.71 C ATOM 716 CD1 ILE A 89 15.734 -9.842 -6.370 1.00 34.05 C ATOM 717 N TYR A 90 13.456 -11.972 -11.290 1.00 20.78 N ATOM 718 CA TYR A 90 12.408 -11.822 -12.281 1.00 21.75 C ATOM 719 C TYR A 90 11.054 -11.917 -11.604 1.00 21.59 C ATOM 720 O TYR A 90 10.972 -12.211 -10.410 1.00 22.72 O ATOM 721 CB TYR A 90 12.535 -12.864 -13.394 1.00 25.26 C ATOM 722 CG TYR A 90 12.699 -14.297 -12.948 1.00 27.19 C ATOM 723 CD1 TYR A 90 13.965 -14.852 -12.781 1.00 29.67 C ATOM 724 CD2 TYR A 90 11.588 -15.122 -12.765 1.00 27.97 C ATOM 725 CE1 TYR A 90 14.125 -16.206 -12.452 1.00 31.48 C ATOM 726 CE2 TYR A 90 11.734 -16.475 -12.435 1.00 32.20 C ATOM 727 CZ TYR A 90 13.003 -17.010 -12.282 1.00 29.67 C ATOM 728 OH TYR A 90 13.148 -18.344 -11.956 1.00 34.12 O ATOM 729 N GLN A 91 9.993 -11.653 -12.358 1.00 19.60 N ATOM 730 CA GLN A 91 8.650 -11.686 -11.799 1.00 22.37 C ATOM 731 C GLN A 91 7.806 -12.767 -12.462 1.00 23.28 C ATOM 732 O GLN A 91 7.746 -12.847 -13.689 1.00 22.27 O ATOM 733 CB GLN A 91 7.997 -10.307 -11.964 1.00 26.73 C ATOM 734 CG GLN A 91 6.588 -10.200 -11.405 1.00 32.71 C ATOM 735 CD GLN A 91 6.109 -8.764 -11.317 1.00 34.04 C ATOM 736 OE1 GLN A 91 6.412 -7.943 -12.180 1.00 39.85 O ATOM 737 NE2 GLN A 91 5.345 -8.456 -10.273 1.00 37.51 N ATOM 738 N THR A 92 7.170 -13.604 -11.641 1.00 25.60 N ATOM 739 CA THR A 92 6.328 -14.696 -12.136 1.00 26.88 C ATOM 740 C THR A 92 4.981 -14.178 -12.635 1.00 28.32 C ATOM 741 O THR A 92 4.653 -13.005 -12.455 1.00 27.44 O ATOM 742 CB THR A 92 6.030 -15.729 -11.028 1.00 27.68 C ATOM 743 OG1 THR A 92 5.154 -15.143 -10.056 1.00 23.89 O ATOM 744 CG2 THR A 92 7.310 -16.170 -10.346 1.00 27.40 C ATOM 745 N SER A 93 4.202 -15.068 -13.246 1.00 36.30 N ATOM 746 CA SER A 93 2.879 -14.723 -13.759 1.00 39.06 C ATOM 747 C SER A 93 1.909 -14.458 -12.614 1.00 39.73 C ATOM 748 O SER A 93 0.806 -13.958 -12.829 1.00 41.46 O ATOM 749 CB SER A 93 2.328 -15.852 -14.634 1.00 41.58 C ATOM 750 OG SER A 93 2.278 -17.081 -13.924 1.00 43.28 O ATOM 751 N LEU A 94 2.321 -14.806 -11.401 1.00 33.37 N ATOM 752 CA LEU A 94 1.498 -14.588 -10.219 1.00 36.73 C ATOM 753 C LEU A 94 1.830 -13.250 -9.569 1.00 35.58 C ATOM 754 O LEU A 94 1.151 -12.824 -8.638 1.00 36.20 O ATOM 755 CB LEU A 94 1.716 -15.710 -9.201 1.00 45.73 C ATOM 756 CG LEU A 94 1.191 -17.099 -9.564 1.00 50.22 C ATOM 757 CD1 LEU A 94 1.522 -18.077 -8.439 1.00 49.06 C ATOM 758 CD2 LEU A 94 -0.317 -17.031 -9.797 1.00 48.39 C ATOM 759 N GLY A 95 2.881 -12.596 -10.059 1.00 36.92 N ATOM 760 CA GLY A 95 3.284 -11.316 -9.502 1.00 34.57 C ATOM 761 C GLY A 95 4.354 -11.442 -8.428 1.00 34.33 C ATOM 762 O GLY A 95 4.710 -10.462 -7.774 1.00 34.94 O ATOM 763 N GLU A 96 4.870 -12.651 -8.242 1.00 27.47 N ATOM 764 CA GLU A 96 5.904 -12.894 -7.246 1.00 27.54 C ATOM 765 C GLU A 96 7.284 -12.654 -7.841 1.00 23.79 C ATOM 766 O GLU A 96 7.528 -12.958 -9.005 1.00 23.63 O ATOM 767 CB GLU A 96 5.870 -14.344 -6.775 1.00 32.64 C ATOM 768 CG GLU A 96 4.522 -14.890 -6.396 1.00 38.45 C ATOM 769 CD GLU A 96 4.513 -16.398 -6.486 1.00 40.81 C ATOM 770 OE1 GLU A 96 4.589 -16.916 -7.622 1.00 41.78 O ATOM 771 OE2 GLU A 96 4.449 -17.063 -5.431 1.00 43.91 O ATOM 772 N TYR A 97 8.188 -12.116 -7.035 1.00 20.43 N ATOM 773 CA TYR A 97 9.552 -11.903 -7.488 1.00 20.33 C ATOM 774 C TYR A 97 10.278 -13.206 -7.198 1.00 19.87 C ATOM 775 O TYR A 97 10.105 -13.800 -6.132 1.00 20.32 O ATOM 776 CB TYR A 97 10.171 -10.716 -6.753 1.00 20.41 C ATOM 777 CG TYR A 97 9.589 -9.412 -7.247 1.00 26.67 C ATOM 778 CD1 TYR A 97 9.715 -9.044 -8.587 1.00 26.15 C ATOM 779 CD2 TYR A 97 8.883 -8.566 -6.396 1.00 31.01 C ATOM 780 CE1 TYR A 97 9.153 -7.869 -9.070 1.00 34.53 C ATOM 781 CE2 TYR A 97 8.313 -7.380 -6.871 1.00 34.65 C ATOM 782 CZ TYR A 97 8.454 -7.042 -8.209 1.00 35.83 C ATOM 783 OH TYR A 97 7.899 -5.881 -8.696 1.00 42.99 O ATOM 784 N LYS A 98 11.084 -13.659 -8.150 1.00 22.21 N ATOM 785 CA LYS A 98 11.765 -14.937 -8.001 1.00 20.88 C ATOM 786 C LYS A 98 13.178 -14.927 -8.560 1.00 18.77 C ATOM 787 O LYS A 98 13.548 -14.054 -9.340 1.00 20.37 O ATOM 788 CB LYS A 98 10.934 -16.006 -8.724 1.00 23.83 C ATOM 789 CG LYS A 98 11.431 -17.433 -8.625 1.00 30.57 C ATOM 790 CD LYS A 98 10.521 -18.356 -9.440 1.00 33.48 C ATOM 791 CE LYS A 98 10.892 -19.825 -9.268 1.00 37.34 C ATOM 792 NZ LYS A 98 12.329 -20.089 -9.573 1.00 42.25 N ATOM 793 N LEU A 99 13.969 -15.910 -8.157 1.00 18.20 N ATOM 794 CA LEU A 99 15.325 -16.018 -8.660 1.00 21.62 C ATOM 795 C LEU A 99 15.671 -17.490 -8.809 1.00 23.74 C ATOM 796 O LEU A 99 15.017 -18.353 -8.216 1.00 24.11 O ATOM 797 CB LEU A 99 16.301 -15.310 -7.715 1.00 19.68 C ATOM 798 CG LEU A 99 16.322 -15.745 -6.249 1.00 23.20 C ATOM 799 CD1 LEU A 99 17.006 -17.088 -6.119 1.00 23.49 C ATOM 800 CD2 LEU A 99 17.055 -14.698 -5.423 1.00 24.69 C ATOM 801 N ASN A 100 16.684 -17.771 -9.617 1.00 20.32 N ATOM 802 CA ASN A 100 17.128 -19.136 -9.854 1.00 24.87 C ATOM 803 C ASN A 100 17.944 -19.580 -8.635 1.00 22.61 C ATOM 804 O ASN A 100 19.128 -19.257 -8.515 1.00 24.36 O ATOM 805 CB ASN A 100 17.960 -19.167 -11.146 1.00 24.78 C ATOM 806 CG ASN A 100 18.536 -20.532 -11.438 1.00 30.20 C ATOM 807 OD1 ASN A 100 17.974 -21.552 -11.041 1.00 31.63 O ATOM 808 ND2 ASN A 100 19.659 -20.561 -12.149 1.00 31.80 N ATOM 809 N LEU A 101 17.301 -20.313 -7.729 1.00 23.97 N ATOM 810 CA LEU A 101 17.947 -20.752 -6.487 1.00 25.11 C ATOM 811 C LEU A 101 19.286 -21.482 -6.639 1.00 25.24 C ATOM 812 O LEU A 101 20.279 -21.089 -6.031 1.00 27.56 O ATOM 813 CB LEU A 101 16.977 -21.607 -5.655 1.00 25.42 C ATOM 814 CG LEU A 101 17.480 -22.028 -4.262 1.00 30.78 C ATOM 815 CD1 LEU A 101 17.717 -20.795 -3.394 1.00 29.70 C ATOM 816 CD2 LEU A 101 16.471 -22.941 -3.599 1.00 30.44 C ATOM 817 N PRO A 102 19.334 -22.555 -7.445 1.00 28.10 N ATOM 818 CA PRO A 102 20.603 -23.276 -7.610 1.00 29.61 C ATOM 819 C PRO A 102 21.763 -22.388 -8.070 1.00 28.34 C ATOM 820 O PRO A 102 22.924 -22.655 -7.767 1.00 28.71 O ATOM 821 CB PRO A 102 20.252 -24.375 -8.619 1.00 26.63 C ATOM 822 CG PRO A 102 19.060 -23.823 -9.346 1.00 29.36 C ATOM 823 CD PRO A 102 18.270 -23.178 -8.244 1.00 27.78 C ATOM 824 N GLU A 103 21.441 -21.315 -8.777 1.00 26.44 N ATOM 825 CA GLU A 103 22.462 -20.403 -9.261 1.00 25.29 C ATOM 826 C GLU A 103 23.080 -19.524 -8.172 1.00 25.55 C ATOM 827 O GLU A 103 24.223 -19.096 -8.304 1.00 25.00 O ATOM 828 CB GLU A 103 21.883 -19.516 -10.363 1.00 29.35 C ATOM 829 CG GLU A 103 22.820 -18.416 -10.854 1.00 28.44 C ATOM 830 CD GLU A 103 22.274 -17.710 -12.077 1.00 31.60 C ATOM 831 OE1 GLU A 103 22.908 -16.741 -12.554 1.00 32.60 O ATOM 832 OE2 GLU A 103 21.207 -18.131 -12.565 1.00 31.84 O ATOM 833 N TYR A 104 22.333 -19.247 -7.106 1.00 20.79 N ATOM 834 CA TYR A 104 22.846 -18.393 -6.037 1.00 21.61 C ATOM 835 C TYR A 104 22.941 -19.079 -4.677 1.00 21.26 C ATOM 836 O TYR A 104 23.451 -18.499 -3.717 1.00 17.79 O ATOM 837 CB TYR A 104 21.982 -17.134 -5.900 1.00 20.81 C ATOM 838 CG TYR A 104 21.931 -16.290 -7.144 1.00 20.28 C ATOM 839 CD1 TYR A 104 20.957 -16.504 -8.123 1.00 20.86 C ATOM 840 CD2 TYR A 104 22.864 -15.278 -7.353 1.00 22.49 C ATOM 841 CE1 TYR A 104 20.917 -15.717 -9.286 1.00 22.15 C ATOM 842 CE2 TYR A 104 22.838 -14.491 -8.504 1.00 24.44 C ATOM 843 CZ TYR A 104 21.863 -14.711 -9.463 1.00 24.50 C ATOM 844 OH TYR A 104 21.817 -13.895 -10.569 1.00 23.16 O ATOM 845 N MET A 105 22.441 -20.307 -4.602 1.00 25.49 N ATOM 846 CA MET A 105 22.473 -21.085 -3.370 1.00 28.69 C ATOM 847 C MET A 105 23.875 -21.130 -2.766 1.00 29.91 C ATOM 848 O MET A 105 24.845 -21.454 -3.451 1.00 28.61 O ATOM 849 CB MET A 105 22.017 -22.514 -3.660 1.00 42.08 C ATOM 850 CG MET A 105 22.139 -23.451 -2.483 1.00 45.59 C ATOM 851 SD MET A 105 20.798 -23.226 -1.331 1.00 51.95 S ATOM 852 CE MET A 105 19.721 -24.516 -1.886 1.00 47.03 C ATOM 853 N TRP A 106 23.976 -20.813 -1.479 1.00 27.14 N ATOM 854 CA TRP A 106 25.254 -20.843 -0.783 1.00 27.51 C ATOM 855 C TRP A 106 25.647 -22.284 -0.535 1.00 29.24 C ATOM 856 O TRP A 106 24.800 -23.116 -0.216 1.00 29.41 O ATOM 857 CB TRP A 106 25.154 -20.130 0.567 1.00 25.46 C ATOM 858 CG TRP A 106 26.389 -20.258 1.423 1.00 24.45 C ATOM 859 CD1 TRP A 106 27.688 -20.138 1.012 1.00 26.43 C ATOM 860 CD2 TRP A 106 26.437 -20.452 2.845 1.00 25.04 C ATOM 861 NE1 TRP A 106 28.539 -20.238 2.088 1.00 27.26 N ATOM 862 CE2 TRP A 106 27.799 -20.430 3.224 1.00 26.19 C ATOM 863 CE3 TRP A 106 25.462 -20.638 3.834 1.00 25.21 C ATOM 864 CZ2 TRP A 106 28.211 -20.586 4.553 1.00 27.95 C ATOM 865 CZ3 TRP A 106 25.872 -20.794 5.160 1.00 29.15 C ATOM 866 CH2 TRP A 106 27.239 -20.765 5.504 1.00 28.04 C ATOM 867 N LYS A 107 26.934 -22.572 -0.681 1.00 33.99 N ATOM 868 CA LYS A 107 27.447 -23.908 -0.432 1.00 40.37 C ATOM 869 C LYS A 107 28.567 -23.817 0.606 1.00 42.00 C ATOM 870 O LYS A 107 29.714 -23.493 0.280 1.00 43.60 O ATOM 871 CB LYS A 107 27.960 -24.533 -1.730 1.00 62.31 C ATOM 872 CG LYS A 107 27.124 -25.717 -2.195 1.00 67.37 C ATOM 873 CD LYS A 107 27.337 -26.015 -3.667 1.00 70.28 C ATOM 874 CE LYS A 107 26.727 -24.925 -4.533 1.00 72.22 C ATOM 875 NZ LYS A 107 25.272 -24.754 -4.241 1.00 70.26 N ATOM 876 N PRO A 108 28.233 -24.079 1.881 1.00 35.64 N ATOM 877 CA PRO A 108 29.182 -24.039 3.002 1.00 38.42 C ATOM 878 C PRO A 108 30.508 -24.740 2.677 1.00 38.94 C ATOM 879 O PRO A 108 31.564 -24.069 2.722 1.00 37.33 O ATOM 880 CB PRO A 108 28.413 -24.744 4.118 1.00 39.62 C ATOM 881 CG PRO A 108 26.991 -24.325 3.841 1.00 38.10 C ATOM 882 CD PRO A 108 26.887 -24.473 2.340 1.00 34.78 C TER 883 PRO A 108 ATOM 884 N ARG A 2 41.721 -12.608 3.325 1.00 72.62 N ATOM 885 CA ARG A 2 41.767 -12.161 4.748 1.00 72.53 C ATOM 886 C ARG A 2 41.586 -13.345 5.693 1.00 72.13 C ATOM 887 O ARG A 2 42.514 -13.724 6.408 1.00 71.65 O ATOM 888 CB ARG A 2 40.673 -11.119 5.004 1.00 85.72 C ATOM 889 CG ARG A 2 40.647 -10.561 6.422 1.00 87.04 C ATOM 890 CD ARG A 2 41.744 -9.525 6.666 1.00 87.36 C ATOM 891 NE ARG A 2 42.695 -9.950 7.693 1.00 88.21 N ATOM 892 CZ ARG A 2 43.766 -10.706 7.463 1.00 88.46 C ATOM 893 NH1 ARG A 2 44.568 -11.045 8.464 1.00 87.19 N ATOM 894 NH2 ARG A 2 44.047 -11.109 6.231 1.00 88.76 N ATOM 895 N MET A 3 40.390 -13.927 5.689 1.00 83.80 N ATOM 896 CA MET A 3 40.079 -15.068 6.546 1.00 84.40 C ATOM 897 C MET A 3 41.125 -16.176 6.504 1.00 84.02 C ATOM 898 O MET A 3 41.267 -16.933 7.462 1.00 84.60 O ATOM 899 CB MET A 3 38.704 -15.637 6.182 1.00 86.47 C ATOM 900 CG MET A 3 37.566 -15.116 7.052 1.00 87.53 C ATOM 901 SD MET A 3 37.755 -13.389 7.548 1.00 90.22 S ATOM 902 CE MET A 3 37.409 -13.501 9.309 1.00 87.80 C ATOM 903 N ASP A 4 41.848 -16.288 5.391 1.00 89.21 N ATOM 904 CA ASP A 4 42.884 -17.312 5.286 1.00 87.93 C ATOM 905 C ASP A 4 43.918 -17.021 6.364 1.00 85.45 C ATOM 906 O ASP A 4 44.170 -17.848 7.239 1.00 85.68 O ATOM 907 CB ASP A 4 43.567 -17.276 3.915 1.00 96.69 C ATOM 908 CG ASP A 4 42.713 -17.884 2.814 1.00 98.33 C ATOM 909 OD1 ASP A 4 41.625 -17.336 2.527 1.00 98.09 O ATOM 910 OD2 ASP A 4 43.131 -18.914 2.238 1.00 98.77 O ATOM 911 N GLU A 5 44.502 -15.827 6.295 1.00 69.46 N ATOM 912 CA GLU A 5 45.511 -15.403 7.252 1.00 66.88 C ATOM 913 C GLU A 5 44.950 -15.304 8.668 1.00 62.60 C ATOM 914 O GLU A 5 45.639 -15.621 9.635 1.00 63.07 O ATOM 915 CB GLU A 5 46.089 -14.039 6.849 1.00 96.46 C ATOM 916 CG GLU A 5 46.683 -13.962 5.448 1.00 98.77 C ATOM 917 CD GLU A 5 45.627 -13.862 4.357 1.00 98.77 C ATOM 918 OE1 GLU A 5 44.796 -12.930 4.409 1.00 98.77 O ATOM 919 OE2 GLU A 5 45.634 -14.711 3.439 1.00 98.77 O ATOM 920 N PHE A 6 43.701 -14.868 8.791 1.00 53.51 N ATOM 921 CA PHE A 6 43.085 -14.707 10.106 1.00 48.91 C ATOM 922 C PHE A 6 42.890 -16.006 10.893 1.00 46.27 C ATOM 923 O PHE A 6 43.399 -16.147 12.005 1.00 44.33 O ATOM 924 CB PHE A 6 41.740 -13.984 9.984 1.00 47.62 C ATOM 925 CG PHE A 6 41.160 -13.579 11.307 1.00 45.36 C ATOM 926 CD1 PHE A 6 41.809 -12.638 12.102 1.00 43.76 C ATOM 927 CD2 PHE A 6 40.005 -14.181 11.788 1.00 43.46 C ATOM 928 CE1 PHE A 6 41.317 -12.305 13.364 1.00 42.83 C ATOM 929 CE2 PHE A 6 39.507 -13.857 13.046 1.00 43.62 C ATOM 930 CZ PHE A 6 40.166 -12.918 13.837 1.00 42.78 C ATOM 931 N TYR A 7 42.145 -16.949 10.329 1.00 47.70 N ATOM 932 CA TYR A 7 41.912 -18.211 11.018 1.00 45.06 C ATOM 933 C TYR A 7 43.228 -18.807 11.494 1.00 44.56 C ATOM 934 O TYR A 7 43.401 -19.077 12.681 1.00 44.99 O ATOM 935 CB TYR A 7 41.181 -19.192 10.099 1.00 42.39 C ATOM 936 CG TYR A 7 39.688 -18.941 10.005 1.00 41.12 C ATOM 937 CD1 TYR A 7 39.163 -17.658 10.164 1.00 39.69 C ATOM 938 CD2 TYR A 7 38.804 -19.984 9.731 1.00 40.60 C ATOM 939 CE1 TYR A 7 37.797 -17.416 10.052 1.00 43.17 C ATOM 940 CE2 TYR A 7 37.433 -19.757 9.614 1.00 42.59 C ATOM 941 CZ TYR A 7 36.935 -18.469 9.775 1.00 44.43 C ATOM 942 OH TYR A 7 35.583 -18.230 9.648 1.00 46.66 O ATOM 943 N THR A 8 44.162 -18.998 10.570 1.00 43.74 N ATOM 944 CA THR A 8 45.464 -19.553 10.915 1.00 44.22 C ATOM 945 C THR A 8 46.138 -18.693 11.991 1.00 41.77 C ATOM 946 O THR A 8 46.809 -19.210 12.881 1.00 41.57 O ATOM 947 CB THR A 8 46.378 -19.642 9.662 1.00 57.02 C ATOM 948 OG1 THR A 8 47.676 -20.123 10.038 1.00 57.59 O ATOM 949 CG2 THR A 8 46.522 -18.276 9.014 1.00 58.48 C ATOM 950 N LYS A 9 45.945 -17.382 11.914 1.00 41.84 N ATOM 951 CA LYS A 9 46.533 -16.468 12.891 1.00 41.46 C ATOM 952 C LYS A 9 45.907 -16.727 14.265 1.00 39.52 C ATOM 953 O LYS A 9 46.579 -16.654 15.295 1.00 39.21 O ATOM 954 CB LYS A 9 46.288 -15.020 12.455 1.00 54.99 C ATOM 955 CG LYS A 9 47.172 -13.984 13.131 1.00 59.75 C ATOM 956 CD LYS A 9 46.900 -12.597 12.559 1.00 64.40 C ATOM 957 CE LYS A 9 47.875 -11.560 13.094 1.00 66.58 C ATOM 958 NZ LYS A 9 49.282 -11.850 12.683 1.00 68.00 N ATOM 959 N VAL A 10 44.614 -17.034 14.272 1.00 33.08 N ATOM 960 CA VAL A 10 43.898 -17.322 15.511 1.00 29.80 C ATOM 961 C VAL A 10 44.379 -18.651 16.088 1.00 27.06 C ATOM 962 O VAL A 10 44.675 -18.757 17.276 1.00 22.61 O ATOM 963 CB VAL A 10 42.372 -17.407 15.268 1.00 31.66 C ATOM 964 CG1 VAL A 10 41.674 -17.983 16.498 1.00 29.77 C ATOM 965 CG2 VAL A 10 41.820 -16.022 14.953 1.00 30.76 C ATOM 966 N TYR A 11 44.467 -19.668 15.242 1.00 28.27 N ATOM 967 CA TYR A 11 44.914 -20.966 15.716 1.00 29.74 C ATOM 968 C TYR A 11 46.324 -20.909 16.319 1.00 29.37 C ATOM 969 O TYR A 11 46.619 -21.625 17.272 1.00 25.56 O ATOM 970 CB TYR A 11 44.840 -21.986 14.584 1.00 28.54 C ATOM 971 CG TYR A 11 43.444 -22.133 14.002 1.00 28.29 C ATOM 972 CD1 TYR A 11 42.310 -21.897 14.783 1.00 28.72 C ATOM 973 CD2 TYR A 11 43.255 -22.541 12.682 1.00 30.03 C ATOM 974 CE1 TYR A 11 41.028 -22.064 14.264 1.00 28.09 C ATOM 975 CE2 TYR A 11 41.971 -22.713 12.153 1.00 30.03 C ATOM 976 CZ TYR A 11 40.864 -22.472 12.952 1.00 29.63 C ATOM 977 OH TYR A 11 39.593 -22.645 12.444 1.00 28.93 O ATOM 978 N ASP A 12 47.183 -20.047 15.781 1.00 29.53 N ATOM 979 CA ASP A 12 48.542 -19.906 16.297 1.00 32.48 C ATOM 980 C ASP A 12 48.491 -19.305 17.700 1.00 34.36 C ATOM 981 O ASP A 12 49.231 -19.717 18.599 1.00 35.53 O ATOM 982 CB ASP A 12 49.375 -18.981 15.399 1.00 42.07 C ATOM 983 CG ASP A 12 49.855 -19.659 14.127 1.00 46.29 C ATOM 984 OD1 ASP A 12 50.288 -18.931 13.207 1.00 50.61 O ATOM 985 OD2 ASP A 12 49.817 -20.907 14.046 1.00 47.34 O ATOM 986 N ALA A 13 47.619 -18.318 17.879 1.00 31.04 N ATOM 987 CA ALA A 13 47.475 -17.660 19.170 1.00 28.81 C ATOM 988 C ALA A 13 46.914 -18.615 20.225 1.00 25.92 C ATOM 989 O ALA A 13 47.373 -18.631 21.371 1.00 24.24 O ATOM 990 CB ALA A 13 46.570 -16.429 19.032 1.00 37.27 C ATOM 991 N VAL A 14 45.918 -19.405 19.843 1.00 24.70 N ATOM 992 CA VAL A 14 45.318 -20.356 20.772 1.00 21.85 C ATOM 993 C VAL A 14 46.369 -21.365 21.203 1.00 23.71 C ATOM 994 O VAL A 14 46.386 -21.802 22.354 1.00 24.39 O ATOM 995 CB VAL A 14 44.119 -21.080 20.126 1.00 26.13 C ATOM 996 CG1 VAL A 14 43.601 -22.183 21.054 1.00 26.07 C ATOM 997 CG2 VAL A 14 43.009 -20.064 19.836 1.00 25.43 C ATOM 998 N CYS A 15 47.260 -21.722 20.282 1.00 22.08 N ATOM 999 CA CYS A 15 48.323 -22.672 20.600 1.00 25.73 C ATOM 1000 C CYS A 15 49.262 -22.099 21.663 1.00 23.96 C ATOM 1001 O CYS A 15 49.944 -22.846 22.359 1.00 25.73 O ATOM 1002 CB CYS A 15 49.132 -23.026 19.344 1.00 30.46 C ATOM 1003 SG CYS A 15 48.356 -24.235 18.238 1.00 29.00 S ATOM 1004 N GLU A 16 49.295 -20.775 21.783 1.00 25.82 N ATOM 1005 CA GLU A 16 50.155 -20.124 22.770 1.00 30.54 C ATOM 1006 C GLU A 16 49.544 -20.037 24.168 1.00 27.85 C ATOM 1007 O GLU A 16 50.240 -19.738 25.139 1.00 28.55 O ATOM 1008 CB GLU A 16 50.551 -18.726 22.289 1.00 44.25 C ATOM 1009 CG GLU A 16 51.497 -18.750 21.097 1.00 51.62 C ATOM 1010 CD GLU A 16 51.811 -17.366 20.561 1.00 57.97 C ATOM 1011 OE1 GLU A 16 52.627 -17.270 19.619 1.00 62.04 O ATOM 1012 OE2 GLU A 16 51.245 -16.377 21.074 1.00 57.74 O ATOM 1013 N ILE A 17 48.247 -20.287 24.280 1.00 26.62 N ATOM 1014 CA ILE A 17 47.608 -20.252 25.591 1.00 25.29 C ATOM 1015 C ILE A 17 48.296 -21.325 26.431 1.00 25.26 C ATOM 1016 O ILE A 17 48.264 -22.509 26.096 1.00 26.19 O ATOM 1017 CB ILE A 17 46.096 -20.563 25.494 1.00 22.18 C ATOM 1018 CG1 ILE A 17 45.407 -19.518 24.613 1.00 19.38 C ATOM 1019 CG2 ILE A 17 45.469 -20.571 26.879 1.00 24.02 C ATOM 1020 CD1 ILE A 17 43.944 -19.839 24.307 1.00 20.22 C ATOM 1021 N PRO A 18 48.930 -20.925 27.539 1.00 27.22 N ATOM 1022 CA PRO A 18 49.620 -21.892 28.396 1.00 25.89 C ATOM 1023 C PRO A 18 48.752 -22.941 29.093 1.00 26.94 C ATOM 1024 O PRO A 18 47.556 -22.738 29.340 1.00 23.28 O ATOM 1025 CB PRO A 18 50.367 -20.999 29.388 1.00 25.49 C ATOM 1026 CG PRO A 18 49.476 -19.809 29.499 1.00 28.72 C ATOM 1027 CD PRO A 18 49.043 -19.558 28.079 1.00 26.21 C ATOM 1028 N TYR A 19 49.384 -24.075 29.381 1.00 24.82 N ATOM 1029 CA TYR A 19 48.764 -25.200 30.073 1.00 22.97 C ATOM 1030 C TYR A 19 48.171 -24.628 31.369 1.00 25.02 C ATOM 1031 O TYR A 19 48.793 -23.779 32.013 1.00 24.08 O ATOM 1032 CB TYR A 19 49.862 -26.223 30.394 1.00 23.83 C ATOM 1033 CG TYR A 19 49.420 -27.517 31.035 1.00 21.96 C ATOM 1034 CD1 TYR A 19 49.188 -28.655 30.263 1.00 21.91 C ATOM 1035 CD2 TYR A 19 49.273 -27.617 32.417 1.00 23.11 C ATOM 1036 CE1 TYR A 19 48.825 -29.858 30.850 1.00 23.55 C ATOM 1037 CE2 TYR A 19 48.907 -28.815 33.018 1.00 24.05 C ATOM 1038 CZ TYR A 19 48.683 -29.930 32.229 1.00 27.09 C ATOM 1039 OH TYR A 19 48.294 -31.109 32.814 1.00 28.08 O ATOM 1040 N GLY A 20 46.972 -25.067 31.741 1.00 19.40 N ATOM 1041 CA GLY A 20 46.368 -24.573 32.971 1.00 22.04 C ATOM 1042 C GLY A 20 45.750 -23.182 32.919 1.00 21.51 C ATOM 1043 O GLY A 20 45.242 -22.690 33.922 1.00 21.68 O ATOM 1044 N LYS A 21 45.789 -22.541 31.757 1.00 22.49 N ATOM 1045 CA LYS A 21 45.215 -21.206 31.594 1.00 21.13 C ATOM 1046 C LYS A 21 44.178 -21.271 30.494 1.00 22.22 C ATOM 1047 O LYS A 21 44.125 -22.248 29.754 1.00 24.55 O ATOM 1048 CB LYS A 21 46.294 -20.200 31.191 1.00 24.94 C ATOM 1049 CG LYS A 21 47.356 -19.958 32.239 1.00 28.33 C ATOM 1050 CD LYS A 21 46.800 -19.173 33.407 1.00 29.25 C ATOM 1051 CE LYS A 21 47.850 -18.974 34.475 1.00 30.49 C ATOM 1052 NZ LYS A 21 47.308 -18.206 35.639 1.00 37.77 N ATOM 1053 N VAL A 22 43.361 -20.228 30.383 1.00 19.33 N ATOM 1054 CA VAL A 22 42.338 -20.160 29.346 1.00 19.91 C ATOM 1055 C VAL A 22 42.278 -18.746 28.808 1.00 18.86 C ATOM 1056 O VAL A 22 42.920 -17.848 29.344 1.00 21.53 O ATOM 1057 CB VAL A 22 40.935 -20.516 29.885 1.00 17.85 C ATOM 1058 CG1 VAL A 22 40.910 -21.958 30.355 1.00 22.59 C ATOM 1059 CG2 VAL A 22 40.559 -19.578 31.018 1.00 20.90 C ATOM 1060 N SER A 23 41.511 -18.557 27.739 1.00 16.84 N ATOM 1061 CA SER A 23 41.344 -17.240 27.141 1.00 20.35 C ATOM 1062 C SER A 23 39.957 -17.175 26.493 1.00 22.09 C ATOM 1063 O SER A 23 39.199 -18.150 26.543 1.00 24.38 O ATOM 1064 CB SER A 23 42.443 -16.986 26.107 1.00 20.92 C ATOM 1065 OG SER A 23 42.515 -15.610 25.763 1.00 24.20 O ATOM 1066 N THR A 24 39.633 -16.035 25.885 1.00 25.55 N ATOM 1067 CA THR A 24 38.332 -15.829 25.252 1.00 26.05 C ATOM 1068 C THR A 24 38.479 -15.277 23.837 1.00 26.09 C ATOM 1069 O THR A 24 39.559 -14.845 23.450 1.00 28.44 O ATOM 1070 CB THR A 24 37.494 -14.824 26.058 1.00 22.20 C ATOM 1071 OG1 THR A 24 38.107 -13.527 25.975 1.00 21.99 O ATOM 1072 CG2 THR A 24 37.423 -15.249 27.528 1.00 24.87 C ATOM 1073 N TYR A 25 37.381 -15.263 23.085 1.00 22.50 N ATOM 1074 CA TYR A 25 37.386 -14.761 21.706 1.00 23.65 C ATOM 1075 C TYR A 25 37.896 -13.328 21.611 1.00 23.52 C ATOM 1076 O TYR A 25 38.699 -13.001 20.738 1.00 23.37 O ATOM 1077 CB TYR A 25 35.977 -14.793 21.098 1.00 21.45 C ATOM 1078 CG TYR A 25 35.327 -16.155 20.993 1.00 23.50 C ATOM 1079 CD1 TYR A 25 36.088 -17.312 20.840 1.00 23.74 C ATOM 1080 CD2 TYR A 25 33.940 -16.276 20.993 1.00 25.66 C ATOM 1081 CE1 TYR A 25 35.484 -18.552 20.689 1.00 27.23 C ATOM 1082 CE2 TYR A 25 33.325 -17.512 20.841 1.00 28.38 C ATOM 1083 CZ TYR A 25 34.104 -18.645 20.690 1.00 27.76 C ATOM 1084 OH TYR A 25 33.500 -19.868 20.534 1.00 30.17 O ATOM 1085 N GLY A 26 37.407 -12.473 22.502 1.00 25.38 N ATOM 1086 CA GLY A 26 37.817 -11.078 22.503 1.00 27.62 C ATOM 1087 C GLY A 26 39.266 -10.851 22.897 1.00 26.77 C ATOM 1088 O GLY A 26 39.935 -9.976 22.353 1.00 26.44 O ATOM 1089 N GLU A 27 39.738 -11.631 23.864 1.00 26.47 N ATOM 1090 CA GLU A 27 41.107 -11.535 24.356 1.00 26.12 C ATOM 1091 C GLU A 27 42.067 -11.959 23.245 1.00 25.88 C ATOM 1092 O GLU A 27 43.098 -11.321 23.020 1.00 25.55 O ATOM 1093 CB GLU A 27 41.268 -12.438 25.584 1.00 38.93 C ATOM 1094 CG GLU A 27 42.416 -12.082 26.520 1.00 47.08 C ATOM 1095 CD GLU A 27 42.211 -10.761 27.246 1.00 51.98 C ATOM 1096 OE1 GLU A 27 42.886 -10.539 28.273 1.00 55.39 O ATOM 1097 OE2 GLU A 27 41.388 -9.940 26.792 1.00 53.14 O ATOM 1098 N ILE A 28 41.724 -13.038 22.549 1.00 30.78 N ATOM 1099 CA ILE A 28 42.553 -13.528 21.455 1.00 30.35 C ATOM 1100 C ILE A 28 42.531 -12.503 20.331 1.00 31.12 C ATOM 1101 O ILE A 28 43.554 -12.234 19.700 1.00 32.56 O ATOM 1102 CB ILE A 28 42.031 -14.868 20.916 1.00 28.26 C ATOM 1103 CG1 ILE A 28 42.250 -15.962 21.962 1.00 28.21 C ATOM 1104 CG2 ILE A 28 42.725 -15.212 19.605 1.00 24.06 C ATOM 1105 CD1 ILE A 28 41.590 -17.267 21.605 1.00 24.65 C ATOM 1106 N ALA A 29 41.356 -11.928 20.090 1.00 29.95 N ATOM 1107 CA ALA A 29 41.203 -10.928 19.045 1.00 28.50 C ATOM 1108 C ALA A 29 42.157 -9.769 19.306 1.00 30.54 C ATOM 1109 O ALA A 29 42.849 -9.309 18.395 1.00 30.32 O ATOM 1110 CB ALA A 29 39.767 -10.432 18.999 1.00 21.68 C ATOM 1111 N ARG A 30 42.190 -9.301 20.553 1.00 33.91 N ATOM 1112 CA ARG A 30 43.068 -8.197 20.938 1.00 37.19 C ATOM 1113 C ARG A 30 44.521 -8.646 20.898 1.00 39.27 C ATOM 1114 O ARG A 30 45.424 -7.849 20.649 1.00 41.00 O ATOM 1115 CB ARG A 30 42.729 -7.693 22.351 1.00 30.52 C ATOM 1116 CG ARG A 30 41.366 -7.016 22.473 1.00 28.36 C ATOM 1117 CD ARG A 30 41.197 -6.327 23.830 1.00 27.32 C ATOM 1118 NE ARG A 30 40.864 -7.247 24.921 1.00 31.02 N ATOM 1119 CZ ARG A 30 39.670 -7.811 25.097 1.00 28.31 C ATOM 1120 NH1 ARG A 30 38.681 -7.561 24.252 1.00 28.74 N ATOM 1121 NH2 ARG A 30 39.454 -8.609 26.134 1.00 28.65 N ATOM 1122 N TYR A 31 44.739 -9.932 21.140 1.00 40.34 N ATOM 1123 CA TYR A 31 46.081 -10.491 21.134 1.00 42.34 C ATOM 1124 C TYR A 31 46.703 -10.428 19.742 1.00 42.84 C ATOM 1125 O TYR A 31 47.875 -10.078 19.598 1.00 43.19 O ATOM 1126 CB TYR A 31 46.049 -11.942 21.616 1.00 38.18 C ATOM 1127 CG TYR A 31 47.414 -12.553 21.776 1.00 37.81 C ATOM 1128 CD1 TYR A 31 48.319 -12.042 22.705 1.00 40.48 C ATOM 1129 CD2 TYR A 31 47.805 -13.646 21.006 1.00 41.30 C ATOM 1130 CE1 TYR A 31 49.577 -12.605 22.868 1.00 43.04 C ATOM 1131 CE2 TYR A 31 49.067 -14.220 21.161 1.00 42.24 C ATOM 1132 CZ TYR A 31 49.946 -13.694 22.094 1.00 43.90 C ATOM 1133 OH TYR A 31 51.192 -14.258 22.266 1.00 47.96 O ATOM 1134 N VAL A 32 45.922 -10.771 18.720 1.00 47.36 N ATOM 1135 CA VAL A 32 46.419 -10.744 17.346 1.00 47.65 C ATOM 1136 C VAL A 32 46.305 -9.343 16.744 1.00 49.86 C ATOM 1137 O VAL A 32 46.290 -9.177 15.523 1.00 51.09 O ATOM 1138 CB VAL A 32 45.661 -11.759 16.444 1.00 37.79 C ATOM 1139 CG1 VAL A 32 45.808 -13.163 17.011 1.00 36.60 C ATOM 1140 CG2 VAL A 32 44.191 -11.382 16.336 1.00 36.63 C ATOM 1141 N GLY A 33 46.220 -8.342 17.617 1.00 44.95 N ATOM 1142 CA GLY A 33 46.128 -6.958 17.182 1.00 45.28 C ATOM 1143 C GLY A 33 44.929 -6.613 16.319 1.00 47.05 C ATOM 1144 O GLY A 33 45.001 -5.710 15.488 1.00 47.78 O ATOM 1145 N MET A 34 43.820 -7.316 16.518 1.00 44.85 N ATOM 1146 CA MET A 34 42.613 -7.066 15.741 1.00 44.17 C ATOM 1147 C MET A 34 41.386 -7.013 16.649 1.00 42.65 C ATOM 1148 O MET A 34 40.445 -7.795 16.501 1.00 41.47 O ATOM 1149 CB MET A 34 42.460 -8.160 14.690 1.00 62.14 C ATOM 1150 CG MET A 34 43.718 -8.347 13.862 1.00 68.41 C ATOM 1151 SD MET A 34 43.487 -9.482 12.498 1.00 75.16 S ATOM 1152 CE MET A 34 42.751 -8.368 11.288 1.00 72.59 C ATOM 1153 N PRO A 35 41.379 -6.059 17.592 1.00 39.91 N ATOM 1154 CA PRO A 35 40.316 -5.828 18.575 1.00 39.14 C ATOM 1155 C PRO A 35 38.867 -6.022 18.129 1.00 38.17 C ATOM 1156 O PRO A 35 38.041 -6.477 18.910 1.00 38.16 O ATOM 1157 CB PRO A 35 40.588 -4.401 19.035 1.00 38.10 C ATOM 1158 CG PRO A 35 42.075 -4.337 19.003 1.00 39.36 C ATOM 1159 CD PRO A 35 42.393 -4.992 17.676 1.00 38.14 C ATOM 1160 N SER A 36 38.554 -5.689 16.884 1.00 39.24 N ATOM 1161 CA SER A 36 37.179 -5.813 16.404 1.00 40.61 C ATOM 1162 C SER A 36 36.773 -7.179 15.844 1.00 41.05 C ATOM 1163 O SER A 36 35.637 -7.348 15.387 1.00 38.70 O ATOM 1164 CB SER A 36 36.916 -4.738 15.348 1.00 51.49 C ATOM 1165 OG SER A 36 37.913 -4.780 14.341 1.00 55.69 O ATOM 1166 N TYR A 37 37.677 -8.155 15.895 1.00 46.26 N ATOM 1167 CA TYR A 37 37.386 -9.482 15.351 1.00 47.23 C ATOM 1168 C TYR A 37 37.003 -10.569 16.354 1.00 45.53 C ATOM 1169 O TYR A 37 37.244 -11.748 16.102 1.00 45.85 O ATOM 1170 CB TYR A 37 38.576 -9.987 14.526 1.00 62.68 C ATOM 1171 CG TYR A 37 38.871 -9.185 13.277 1.00 68.51 C ATOM 1172 CD1 TYR A 37 39.324 -7.866 13.356 1.00 70.17 C ATOM 1173 CD2 TYR A 37 38.707 -9.750 12.011 1.00 69.93 C ATOM 1174 CE1 TYR A 37 39.609 -7.131 12.205 1.00 72.32 C ATOM 1175 CE2 TYR A 37 38.985 -9.025 10.856 1.00 72.39 C ATOM 1176 CZ TYR A 37 39.437 -7.717 10.960 1.00 73.33 C ATOM 1177 OH TYR A 37 39.717 -7.001 9.818 1.00 74.56 O ATOM 1178 N ALA A 38 36.404 -10.193 17.478 1.00 38.71 N ATOM 1179 CA ALA A 38 36.018 -11.188 18.475 1.00 37.24 C ATOM 1180 C ALA A 38 35.067 -12.231 17.888 1.00 36.81 C ATOM 1181 O ALA A 38 35.165 -13.422 18.203 1.00 35.90 O ATOM 1182 CB ALA A 38 35.378 -10.506 19.677 1.00 36.83 C ATOM 1183 N ARG A 39 34.148 -11.779 17.039 1.00 33.80 N ATOM 1184 CA ARG A 39 33.185 -12.669 16.399 1.00 35.61 C ATOM 1185 C ARG A 39 33.860 -13.550 15.349 1.00 33.93 C ATOM 1186 O ARG A 39 33.518 -14.722 15.193 1.00 33.54 O ATOM 1187 CB ARG A 39 32.073 -11.855 15.735 1.00 59.56 C ATOM 1188 CG ARG A 39 31.075 -12.681 14.931 1.00 64.49 C ATOM 1189 CD ARG A 39 30.096 -11.776 14.185 1.00 71.41 C ATOM 1190 NE ARG A 39 29.356 -10.907 15.098 1.00 75.92 N ATOM 1191 CZ ARG A 39 28.787 -9.757 14.745 1.00 78.89 C ATOM 1192 NH1 ARG A 39 28.871 -9.329 13.494 1.00 80.15 N ATOM 1193 NH2 ARG A 39 28.140 -9.029 15.647 1.00 78.19 N ATOM 1194 N GLN A 40 34.817 -12.981 14.627 1.00 34.71 N ATOM 1195 CA GLN A 40 35.524 -13.725 13.597 1.00 34.29 C ATOM 1196 C GLN A 40 36.322 -14.841 14.267 1.00 33.44 C ATOM 1197 O GLN A 40 36.439 -15.942 13.729 1.00 31.75 O ATOM 1198 CB GLN A 40 36.456 -12.795 12.815 1.00 45.40 C ATOM 1199 CG GLN A 40 35.914 -11.377 12.628 1.00 50.15 C ATOM 1200 CD GLN A 40 34.452 -11.352 12.237 1.00 52.88 C ATOM 1201 OE1 GLN A 40 34.066 -11.869 11.190 1.00 55.90 O ATOM 1202 NE2 GLN A 40 33.626 -10.750 13.086 1.00 56.00 N ATOM 1203 N VAL A 41 36.863 -14.547 15.448 1.00 36.72 N ATOM 1204 CA VAL A 41 37.633 -15.527 16.209 1.00 33.25 C ATOM 1205 C VAL A 41 36.699 -16.666 16.575 1.00 33.83 C ATOM 1206 O VAL A 41 37.075 -17.836 16.514 1.00 33.39 O ATOM 1207 CB VAL A 41 38.199 -14.923 17.518 1.00 25.86 C ATOM 1208 CG1 VAL A 41 38.802 -16.025 18.385 1.00 24.31 C ATOM 1209 CG2 VAL A 41 39.253 -13.877 17.199 1.00 21.71 C ATOM 1210 N GLY A 42 35.474 -16.310 16.951 1.00 28.94 N ATOM 1211 CA GLY A 42 34.496 -17.311 17.327 1.00 28.91 C ATOM 1212 C GLY A 42 34.155 -18.240 16.181 1.00 29.90 C ATOM 1213 O GLY A 42 33.986 -19.450 16.374 1.00 29.16 O ATOM 1214 N GLN A 43 34.046 -17.681 14.979 1.00 31.73 N ATOM 1215 CA GLN A 43 33.716 -18.494 13.820 1.00 32.34 C ATOM 1216 C GLN A 43 34.864 -19.459 13.559 1.00 30.99 C ATOM 1217 O GLN A 43 34.641 -20.631 13.258 1.00 29.87 O ATOM 1218 CB GLN A 43 33.477 -17.618 12.587 1.00 39.46 C ATOM 1219 CG GLN A 43 32.479 -16.495 12.809 1.00 47.57 C ATOM 1220 CD GLN A 43 32.040 -15.846 11.513 1.00 52.97 C ATOM 1221 OE1 GLN A 43 32.831 -15.698 10.582 1.00 57.37 O ATOM 1222 NE2 GLN A 43 30.773 -15.443 11.449 1.00 56.01 N ATOM 1223 N ALA A 44 36.092 -18.965 13.691 1.00 26.29 N ATOM 1224 CA ALA A 44 37.266 -19.798 13.469 1.00 26.52 C ATOM 1225 C ALA A 44 37.272 -21.008 14.398 1.00 26.63 C ATOM 1226 O ALA A 44 37.593 -22.117 13.977 1.00 24.29 O ATOM 1227 CB ALA A 44 38.538 -18.982 13.672 1.00 26.89 C ATOM 1228 N MET A 45 36.913 -20.798 15.659 1.00 26.96 N ATOM 1229 CA MET A 45 36.898 -21.893 16.623 1.00 27.33 C ATOM 1230 C MET A 45 35.743 -22.861 16.373 1.00 29.00 C ATOM 1231 O MET A 45 35.882 -24.067 16.578 1.00 27.31 O ATOM 1232 CB MET A 45 36.832 -21.339 18.050 1.00 28.54 C ATOM 1233 CG MET A 45 38.041 -20.492 18.432 1.00 28.29 C ATOM 1234 SD MET A 45 39.638 -21.327 18.104 1.00 29.19 S ATOM 1235 CE MET A 45 39.604 -22.639 19.331 1.00 26.73 C ATOM 1236 N LYS A 46 34.606 -22.342 15.917 1.00 28.60 N ATOM 1237 CA LYS A 46 33.462 -23.202 15.646 1.00 31.38 C ATOM 1238 C LYS A 46 33.715 -24.052 14.403 1.00 33.19 C ATOM 1239 O LYS A 46 33.097 -25.105 14.218 1.00 32.41 O ATOM 1240 CB LYS A 46 32.191 -22.364 15.474 1.00 48.22 C ATOM 1241 CG LYS A 46 31.794 -21.609 16.738 1.00 53.40 C ATOM 1242 CD LYS A 46 30.393 -21.032 16.630 1.00 57.06 C ATOM 1243 CE LYS A 46 29.928 -20.436 17.958 1.00 58.17 C ATOM 1244 NZ LYS A 46 30.720 -19.237 18.367 1.00 60.52 N ATOM 1245 N HIS A 47 34.641 -23.595 13.564 1.00 29.74 N ATOM 1246 CA HIS A 47 35.000 -24.303 12.339 1.00 29.59 C ATOM 1247 C HIS A 47 36.141 -25.298 12.552 1.00 28.15 C ATOM 1248 O HIS A 47 36.435 -26.107 11.673 1.00 28.77 O ATOM 1249 CB HIS A 47 35.418 -23.303 11.265 1.00 40.88 C ATOM 1250 CG HIS A 47 34.272 -22.605 10.608 1.00 45.47 C ATOM 1251 ND1 HIS A 47 34.437 -21.476 9.834 1.00 46.81 N ATOM 1252 CD2 HIS A 47 32.949 -22.891 10.578 1.00 47.17 C ATOM 1253 CE1 HIS A 47 33.267 -21.097 9.356 1.00 47.98 C ATOM 1254 NE2 HIS A 47 32.348 -21.939 9.792 1.00 47.87 N ATOM 1255 N LEU A 48 36.787 -25.224 13.710 1.00 32.85 N ATOM 1256 CA LEU A 48 37.908 -26.108 14.035 1.00 31.33 C ATOM 1257 C LEU A 48 37.468 -27.549 14.199 1.00 28.92 C ATOM 1258 O LEU A 48 36.552 -27.837 14.962 1.00 29.75 O ATOM 1259 CB LEU A 48 38.582 -25.655 15.331 1.00 33.13 C ATOM 1260 CG LEU A 48 40.003 -25.105 15.255 1.00 34.98 C ATOM 1261 CD1 LEU A 48 40.517 -24.876 16.670 1.00 31.02 C ATOM 1262 CD2 LEU A 48 40.901 -26.082 14.503 1.00 30.45 C ATOM 1263 N HIS A 49 38.131 -28.456 13.489 1.00 24.01 N ATOM 1264 CA HIS A 49 37.798 -29.866 13.575 1.00 23.66 C ATOM 1265 C HIS A 49 38.099 -30.403 14.980 1.00 25.91 C ATOM 1266 O HIS A 49 39.104 -30.040 15.602 1.00 24.49 O ATOM 1267 CB HIS A 49 38.577 -30.652 12.515 1.00 26.69 C ATOM 1268 CG HIS A 49 38.169 -32.087 12.409 1.00 28.16 C ATOM 1269 ND1 HIS A 49 38.697 -33.074 13.214 1.00 28.99 N ATOM 1270 CD2 HIS A 49 37.235 -32.692 11.637 1.00 25.40 C ATOM 1271 CE1 HIS A 49 38.105 -34.224 12.943 1.00 30.95 C ATOM 1272 NE2 HIS A 49 37.214 -34.018 11.990 1.00 30.35 N ATOM 1273 N PRO A 50 37.224 -31.282 15.496 1.00 30.72 N ATOM 1274 CA PRO A 50 37.359 -31.885 16.826 1.00 33.91 C ATOM 1275 C PRO A 50 38.713 -32.512 17.157 1.00 31.90 C ATOM 1276 O PRO A 50 39.182 -32.419 18.290 1.00 30.81 O ATOM 1277 CB PRO A 50 36.236 -32.923 16.848 1.00 39.33 C ATOM 1278 CG PRO A 50 35.191 -32.301 15.979 1.00 38.73 C ATOM 1279 CD PRO A 50 36.013 -31.782 14.821 1.00 35.60 C ATOM 1280 N GLU A 51 39.343 -33.149 16.178 1.00 26.15 N ATOM 1281 CA GLU A 51 40.614 -33.815 16.437 1.00 23.37 C ATOM 1282 C GLU A 51 41.838 -32.959 16.151 1.00 22.36 C ATOM 1283 O GLU A 51 42.961 -33.454 16.058 1.00 20.28 O ATOM 1284 CB GLU A 51 40.668 -35.135 15.661 1.00 33.09 C ATOM 1285 CG GLU A 51 39.430 -36.002 15.901 1.00 35.58 C ATOM 1286 CD GLU A 51 39.067 -36.122 17.384 1.00 41.37 C ATOM 1287 OE1 GLU A 51 37.858 -36.158 17.708 1.00 40.04 O ATOM 1288 OE2 GLU A 51 39.987 -36.186 18.228 1.00 43.23 O ATOM 1289 N THR A 52 41.613 -31.657 16.046 1.00 21.06 N ATOM 1290 CA THR A 52 42.687 -30.723 15.794 1.00 20.95 C ATOM 1291 C THR A 52 43.715 -30.785 16.909 1.00 21.83 C ATOM 1292 O THR A 52 43.418 -31.213 18.021 1.00 24.38 O ATOM 1293 CB THR A 52 42.164 -29.282 15.710 1.00 24.47 C ATOM 1294 OG1 THR A 52 43.259 -28.400 15.436 1.00 26.96 O ATOM 1295 CG2 THR A 52 41.502 -28.871 17.033 1.00 23.36 C ATOM 1296 N HIS A 53 44.925 -30.346 16.587 1.00 24.01 N ATOM 1297 CA HIS A 53 46.047 -30.310 17.515 1.00 26.87 C ATOM 1298 C HIS A 53 45.933 -29.046 18.367 1.00 26.24 C ATOM 1299 O HIS A 53 46.550 -28.933 19.423 1.00 27.59 O ATOM 1300 CB HIS A 53 47.340 -30.264 16.710 1.00 27.55 C ATOM 1301 CG HIS A 53 47.416 -29.090 15.785 1.00 26.37 C ATOM 1302 ND1 HIS A 53 48.174 -27.974 16.059 1.00 31.21 N ATOM 1303 CD2 HIS A 53 46.761 -28.824 14.631 1.00 27.66 C ATOM 1304 CE1 HIS A 53 47.983 -27.069 15.114 1.00 28.14 C ATOM 1305 NE2 HIS A 53 47.130 -27.561 14.237 1.00 28.25 N ATOM 1306 N VAL A 54 45.145 -28.096 17.883 1.00 25.32 N ATOM 1307 CA VAL A 54 44.931 -26.826 18.567 1.00 25.50 C ATOM 1308 C VAL A 54 44.258 -27.041 19.921 1.00 24.48 C ATOM 1309 O VAL A 54 43.287 -27.786 20.027 1.00 23.24 O ATOM 1310 CB VAL A 54 44.051 -25.883 17.701 1.00 30.24 C ATOM 1311 CG1 VAL A 54 43.773 -24.586 18.447 1.00 28.14 C ATOM 1312 CG2 VAL A 54 44.756 -25.594 16.370 1.00 29.68 C ATOM 1313 N PRO A 55 44.777 -26.394 20.978 1.00 21.39 N ATOM 1314 CA PRO A 55 44.231 -26.509 22.336 1.00 20.86 C ATOM 1315 C PRO A 55 42.911 -25.746 22.453 1.00 21.18 C ATOM 1316 O PRO A 55 42.806 -24.838 23.269 1.00 18.71 O ATOM 1317 CB PRO A 55 45.308 -25.857 23.215 1.00 18.86 C ATOM 1318 CG PRO A 55 46.510 -25.682 22.308 1.00 23.02 C ATOM 1319 CD PRO A 55 45.927 -25.478 20.952 1.00 19.79 C ATOM 1320 N TRP A 56 41.917 -26.115 21.649 1.00 22.89 N ATOM 1321 CA TRP A 56 40.621 -25.436 21.657 1.00 24.94 C ATOM 1322 C TRP A 56 39.919 -25.436 23.011 1.00 23.65 C ATOM 1323 O TRP A 56 39.125 -24.540 23.296 1.00 18.68 O ATOM 1324 CB TRP A 56 39.677 -26.055 20.616 1.00 22.19 C ATOM 1325 CG TRP A 56 39.440 -27.517 20.836 1.00 25.53 C ATOM 1326 CD1 TRP A 56 40.161 -28.552 20.314 1.00 26.04 C ATOM 1327 CD2 TRP A 56 38.460 -28.106 21.698 1.00 25.02 C ATOM 1328 NE1 TRP A 56 39.694 -29.749 20.800 1.00 26.51 N ATOM 1329 CE2 TRP A 56 38.651 -29.505 21.654 1.00 26.09 C ATOM 1330 CE3 TRP A 56 37.440 -27.586 22.508 1.00 20.50 C ATOM 1331 CZ2 TRP A 56 37.860 -30.395 22.391 1.00 27.23 C ATOM 1332 CZ3 TRP A 56 36.655 -28.468 23.240 1.00 24.03 C ATOM 1333 CH2 TRP A 56 36.871 -29.860 23.177 1.00 26.85 C ATOM 1334 N HIS A 57 40.207 -26.435 23.840 1.00 21.30 N ATOM 1335 CA HIS A 57 39.576 -26.543 25.152 1.00 18.50 C ATOM 1336 C HIS A 57 39.896 -25.364 26.062 1.00 20.38 C ATOM 1337 O HIS A 57 39.187 -25.116 27.039 1.00 18.89 O ATOM 1338 CB HIS A 57 39.996 -27.848 25.841 1.00 18.19 C ATOM 1339 CG HIS A 57 41.476 -27.981 26.045 1.00 18.75 C ATOM 1340 ND1 HIS A 57 42.352 -28.224 25.009 1.00 17.92 N ATOM 1341 CD2 HIS A 57 42.232 -27.908 27.165 1.00 19.67 C ATOM 1342 CE1 HIS A 57 43.583 -28.296 25.480 1.00 19.09 C ATOM 1343 NE2 HIS A 57 43.540 -28.107 26.787 1.00 18.75 N ATOM 1344 N ARG A 58 40.961 -24.639 25.738 1.00 22.83 N ATOM 1345 CA ARG A 58 41.386 -23.491 26.532 1.00 21.63 C ATOM 1346 C ARG A 58 40.694 -22.187 26.150 1.00 22.88 C ATOM 1347 O ARG A 58 41.004 -21.127 26.697 1.00 22.44 O ATOM 1348 CB ARG A 58 42.906 -23.330 26.442 1.00 18.45 C ATOM 1349 CG ARG A 58 43.662 -24.541 26.977 1.00 16.38 C ATOM 1350 CD ARG A 58 45.175 -24.353 26.892 1.00 19.39 C ATOM 1351 NE ARG A 58 45.855 -25.582 27.278 1.00 22.58 N ATOM 1352 CZ ARG A 58 47.089 -25.914 26.912 1.00 22.93 C ATOM 1353 NH1 ARG A 58 47.811 -25.108 26.150 1.00 19.27 N ATOM 1354 NH2 ARG A 58 47.583 -27.081 27.276 1.00 17.79 N ATOM 1355 N VAL A 59 39.770 -22.255 25.199 1.00 19.36 N ATOM 1356 CA VAL A 59 39.017 -21.063 24.815 1.00 19.44 C ATOM 1357 C VAL A 59 37.640 -21.251 25.433 1.00 19.41 C ATOM 1358 O VAL A 59 37.002 -22.277 25.235 1.00 22.56 O ATOM 1359 CB VAL A 59 38.869 -20.921 23.291 1.00 21.58 C ATOM 1360 CG1 VAL A 59 38.089 -19.650 22.967 1.00 19.36 C ATOM 1361 CG2 VAL A 59 40.251 -20.865 22.640 1.00 18.72 C ATOM 1362 N ILE A 60 37.188 -20.264 26.191 1.00 21.90 N ATOM 1363 CA ILE A 60 35.902 -20.361 26.867 1.00 23.98 C ATOM 1364 C ILE A 60 35.174 -19.022 26.798 1.00 24.89 C ATOM 1365 O ILE A 60 35.806 -17.979 26.598 1.00 26.52 O ATOM 1366 CB ILE A 60 36.135 -20.755 28.347 1.00 26.62 C ATOM 1367 CG1 ILE A 60 34.808 -21.070 29.036 1.00 30.44 C ATOM 1368 CG2 ILE A 60 36.877 -19.641 29.056 1.00 21.00 C ATOM 1369 CD1 ILE A 60 34.973 -21.533 30.467 1.00 31.63 C ATOM 1370 N ASN A 61 33.855 -19.034 26.962 1.00 24.03 N ATOM 1371 CA ASN A 61 33.118 -17.778 26.904 1.00 25.25 C ATOM 1372 C ASN A 61 33.471 -16.921 28.114 1.00 25.02 C ATOM 1373 O ASN A 61 33.994 -17.417 29.118 1.00 22.85 O ATOM 1374 CB ASN A 61 31.599 -18.021 26.814 1.00 27.63 C ATOM 1375 CG ASN A 61 31.044 -18.754 28.017 1.00 31.94 C ATOM 1376 OD1 ASN A 61 31.073 -18.249 29.139 1.00 30.76 O ATOM 1377 ND2 ASN A 61 30.527 -19.952 27.786 1.00 34.19 N ATOM 1378 N SER A 62 33.183 -15.630 28.009 1.00 25.72 N ATOM 1379 CA SER A 62 33.509 -14.681 29.059 1.00 25.99 C ATOM 1380 C SER A 62 32.707 -14.790 30.350 1.00 26.71 C ATOM 1381 O SER A 62 32.969 -14.060 31.297 1.00 25.99 O ATOM 1382 CB SER A 62 33.417 -13.259 28.502 1.00 29.57 C ATOM 1383 OG SER A 62 34.347 -13.077 27.443 1.00 29.88 O ATOM 1384 N ARG A 63 31.729 -15.685 30.394 1.00 26.21 N ATOM 1385 CA ARG A 63 30.956 -15.864 31.610 1.00 26.90 C ATOM 1386 C ARG A 63 31.600 -16.997 32.398 1.00 28.34 C ATOM 1387 O ARG A 63 31.281 -17.217 33.566 1.00 27.19 O ATOM 1388 CB ARG A 63 29.500 -16.213 31.302 1.00 26.69 C ATOM 1389 CG ARG A 63 28.734 -15.125 30.575 1.00 32.50 C ATOM 1390 CD ARG A 63 27.249 -15.255 30.858 1.00 34.59 C ATOM 1391 NE ARG A 63 26.946 -14.964 32.262 1.00 36.04 N ATOM 1392 CZ ARG A 63 25.756 -15.149 32.825 1.00 36.20 C ATOM 1393 NH1 ARG A 63 24.750 -15.633 32.106 1.00 38.12 N ATOM 1394 NH2 ARG A 63 25.564 -14.841 34.102 1.00 35.45 N ATOM 1395 N GLY A 64 32.508 -17.713 31.741 1.00 27.32 N ATOM 1396 CA GLY A 64 33.209 -18.810 32.383 1.00 29.08 C ATOM 1397 C GLY A 64 32.382 -20.071 32.507 1.00 28.65 C ATOM 1398 O GLY A 64 32.683 -20.939 33.328 1.00 30.90 O ATOM 1399 N THR A 65 31.349 -20.186 31.680 1.00 24.16 N ATOM 1400 CA THR A 65 30.479 -21.350 31.716 1.00 26.10 C ATOM 1401 C THR A 65 30.893 -22.373 30.660 1.00 26.77 C ATOM 1402 O THR A 65 31.038 -22.041 29.489 1.00 28.06 O ATOM 1403 CB THR A 65 29.015 -20.943 31.468 1.00 35.96 C ATOM 1404 OG1 THR A 65 28.789 -20.795 30.063 1.00 40.55 O ATOM 1405 CG2 THR A 65 28.716 -19.621 32.136 1.00 35.29 C ATOM 1406 N ILE A 66 31.079 -23.619 31.085 1.00 34.87 N ATOM 1407 CA ILE A 66 31.475 -24.699 30.185 1.00 36.45 C ATOM 1408 C ILE A 66 30.265 -25.342 29.507 1.00 38.65 C ATOM 1409 O ILE A 66 30.357 -25.785 28.362 1.00 37.40 O ATOM 1410 CB ILE A 66 32.245 -25.809 30.937 1.00 35.25 C ATOM 1411 CG1 ILE A 66 33.509 -25.238 31.581 1.00 36.34 C ATOM 1412 CG2 ILE A 66 32.612 -26.921 29.979 1.00 40.11 C ATOM 1413 CD1 ILE A 66 34.518 -24.719 30.587 1.00 38.83 C ATOM 1414 N SER A 67 29.137 -25.401 30.215 1.00 34.66 N ATOM 1415 CA SER A 67 27.926 -26.001 29.662 1.00 38.11 C ATOM 1416 C SER A 67 26.747 -25.918 30.632 1.00 40.29 C ATOM 1417 O SER A 67 26.832 -25.292 31.689 1.00 39.65 O ATOM 1418 CB SER A 67 28.173 -27.473 29.351 1.00 36.98 C ATOM 1419 OG SER A 67 28.314 -28.214 30.553 1.00 35.73 O ATOM 1420 N LYS A 68 25.652 -26.575 30.254 1.00 39.67 N ATOM 1421 CA LYS A 68 24.447 -26.640 31.073 1.00 41.58 C ATOM 1422 C LYS A 68 24.416 -28.055 31.645 1.00 43.00 C ATOM 1423 O LYS A 68 25.264 -28.877 31.299 1.00 41.34 O ATOM 1424 CB LYS A 68 23.200 -26.391 30.217 1.00 48.75 C ATOM 1425 CG LYS A 68 23.209 -25.071 29.464 1.00 50.48 C ATOM 1426 CD LYS A 68 23.287 -23.881 30.408 1.00 54.75 C ATOM 1427 CE LYS A 68 23.242 -22.567 29.644 1.00 54.84 C ATOM 1428 NZ LYS A 68 23.308 -21.390 30.553 1.00 55.56 N ATOM 1429 N ARG A 69 23.444 -28.339 32.507 1.00 50.17 N ATOM 1430 CA ARG A 69 23.331 -29.651 33.137 1.00 52.41 C ATOM 1431 C ARG A 69 23.400 -30.792 32.125 1.00 52.91 C ATOM 1432 O ARG A 69 23.948 -31.858 32.415 1.00 54.19 O ATOM 1433 CB ARG A 69 22.027 -29.730 33.938 1.00 68.75 C ATOM 1434 CG ARG A 69 21.938 -30.887 34.935 1.00 74.80 C ATOM 1435 CD ARG A 69 21.483 -32.185 34.282 1.00 79.43 C ATOM 1436 NE ARG A 69 21.090 -33.192 35.270 1.00 83.54 N ATOM 1437 CZ ARG A 69 21.934 -33.833 36.076 1.00 85.53 C ATOM 1438 NH1 ARG A 69 21.477 -34.728 36.942 1.00 86.38 N ATOM 1439 NH2 ARG A 69 23.235 -33.589 36.011 1.00 86.64 N ATOM 1440 N ASP A 70 22.849 -30.562 30.938 1.00 47.02 N ATOM 1441 CA ASP A 70 22.849 -31.566 29.876 1.00 47.58 C ATOM 1442 C ASP A 70 24.072 -31.408 28.975 1.00 46.21 C ATOM 1443 O ASP A 70 23.951 -31.067 27.800 1.00 44.69 O ATOM 1444 CB ASP A 70 21.564 -31.444 29.051 1.00 76.47 C ATOM 1445 CG ASP A 70 21.300 -30.019 28.589 1.00 80.20 C ATOM 1446 OD1 ASP A 70 21.960 -29.560 27.631 1.00 82.29 O ATOM 1447 OD2 ASP A 70 20.433 -29.351 29.193 1.00 82.53 O ATOM 1448 N ILE A 71 25.250 -31.661 29.538 1.00 51.90 N ATOM 1449 CA ILE A 71 26.508 -31.538 28.804 1.00 51.09 C ATOM 1450 C ILE A 71 26.510 -32.280 27.475 1.00 49.16 C ATOM 1451 O ILE A 71 25.982 -33.383 27.367 1.00 51.09 O ATOM 1452 CB ILE A 71 27.715 -32.068 29.627 1.00 52.82 C ATOM 1453 CG1 ILE A 71 27.247 -32.594 30.983 1.00 53.59 C ATOM 1454 CG2 ILE A 71 28.750 -30.970 29.802 1.00 52.22 C ATOM 1455 CD1 ILE A 71 26.455 -33.882 30.906 1.00 57.24 C ATOM 1456 N SER A 72 27.111 -31.664 26.463 1.00 48.47 N ATOM 1457 CA SER A 72 27.212 -32.284 25.148 1.00 45.12 C ATOM 1458 C SER A 72 28.544 -33.032 25.111 1.00 44.16 C ATOM 1459 O SER A 72 29.334 -32.960 26.056 1.00 41.40 O ATOM 1460 CB SER A 72 27.184 -31.223 24.043 1.00 38.79 C ATOM 1461 OG SER A 72 28.341 -30.401 24.087 1.00 36.43 O ATOM 1462 N ALA A 73 28.786 -33.747 24.020 1.00 42.18 N ATOM 1463 CA ALA A 73 30.016 -34.507 23.863 1.00 42.89 C ATOM 1464 C ALA A 73 31.231 -33.588 23.945 1.00 41.79 C ATOM 1465 O ALA A 73 32.166 -33.841 24.710 1.00 42.77 O ATOM 1466 CB ALA A 73 30.003 -35.238 22.523 1.00 38.38 C ATOM 1467 N GLY A 74 31.203 -32.522 23.150 1.00 37.76 N ATOM 1468 CA GLY A 74 32.297 -31.571 23.126 1.00 34.17 C ATOM 1469 C GLY A 74 32.520 -30.848 24.441 1.00 33.42 C ATOM 1470 O GLY A 74 33.663 -30.640 24.854 1.00 31.61 O ATOM 1471 N GLU A 75 31.432 -30.457 25.101 1.00 28.75 N ATOM 1472 CA GLU A 75 31.532 -29.748 26.373 1.00 27.60 C ATOM 1473 C GLU A 75 32.144 -30.658 27.423 1.00 25.34 C ATOM 1474 O GLU A 75 32.941 -30.214 28.242 1.00 22.68 O ATOM 1475 CB GLU A 75 30.151 -29.290 26.841 1.00 28.20 C ATOM 1476 CG GLU A 75 29.442 -28.387 25.856 1.00 36.77 C ATOM 1477 CD GLU A 75 28.061 -27.982 26.334 1.00 40.52 C ATOM 1478 OE1 GLU A 75 27.271 -28.879 26.707 1.00 43.77 O ATOM 1479 OE2 GLU A 75 27.767 -26.767 26.337 1.00 44.73 O ATOM 1480 N GLN A 76 31.753 -31.930 27.396 1.00 23.93 N ATOM 1481 CA GLN A 76 32.274 -32.913 28.342 1.00 24.95 C ATOM 1482 C GLN A 76 33.764 -33.115 28.078 1.00 23.45 C ATOM 1483 O GLN A 76 34.546 -33.321 29.009 1.00 22.31 O ATOM 1484 CB GLN A 76 31.543 -34.244 28.182 1.00 27.72 C ATOM 1485 CG GLN A 76 31.986 -35.330 29.149 1.00 33.46 C ATOM 1486 CD GLN A 76 31.664 -34.995 30.594 1.00 38.00 C ATOM 1487 OE1 GLN A 76 32.434 -34.319 31.278 1.00 39.28 O ATOM 1488 NE2 GLN A 76 30.511 -35.460 31.062 1.00 38.25 N ATOM 1489 N ARG A 77 34.156 -33.069 26.808 1.00 24.37 N ATOM 1490 CA ARG A 77 35.562 -33.228 26.470 1.00 25.91 C ATOM 1491 C ARG A 77 36.322 -32.020 27.001 1.00 25.33 C ATOM 1492 O ARG A 77 37.404 -32.157 27.576 1.00 23.14 O ATOM 1493 CB ARG A 77 35.766 -33.338 24.954 1.00 38.75 C ATOM 1494 CG ARG A 77 35.275 -34.643 24.349 1.00 44.86 C ATOM 1495 CD ARG A 77 36.280 -35.190 23.335 1.00 54.01 C ATOM 1496 NE ARG A 77 36.488 -34.288 22.205 1.00 58.62 N ATOM 1497 CZ ARG A 77 37.419 -34.455 21.268 1.00 61.75 C ATOM 1498 NH1 ARG A 77 38.244 -35.494 21.315 1.00 64.07 N ATOM 1499 NH2 ARG A 77 37.525 -33.579 20.279 1.00 62.90 N ATOM 1500 N GLN A 78 35.747 -30.835 26.820 1.00 20.17 N ATOM 1501 CA GLN A 78 36.400 -29.621 27.292 1.00 19.96 C ATOM 1502 C GLN A 78 36.535 -29.649 28.810 1.00 17.02 C ATOM 1503 O GLN A 78 37.562 -29.263 29.353 1.00 20.24 O ATOM 1504 CB GLN A 78 35.621 -28.368 26.850 1.00 16.71 C ATOM 1505 CG GLN A 78 36.118 -27.081 27.517 1.00 18.81 C ATOM 1506 CD GLN A 78 35.587 -25.819 26.854 1.00 23.19 C ATOM 1507 OE1 GLN A 78 34.409 -25.723 26.549 1.00 26.57 O ATOM 1508 NE2 GLN A 78 36.461 -24.843 26.641 1.00 20.27 N ATOM 1509 N LYS A 79 35.497 -30.123 29.490 1.00 22.72 N ATOM 1510 CA LYS A 79 35.526 -30.200 30.940 1.00 23.40 C ATOM 1511 C LYS A 79 36.625 -31.164 31.392 1.00 24.57 C ATOM 1512 O LYS A 79 37.420 -30.840 32.283 1.00 20.46 O ATOM 1513 CB LYS A 79 34.163 -30.660 31.465 1.00 22.27 C ATOM 1514 CG LYS A 79 34.021 -30.571 32.974 1.00 25.60 C ATOM 1515 CD LYS A 79 32.617 -30.969 33.415 1.00 27.31 C ATOM 1516 CE LYS A 79 32.463 -30.916 34.930 1.00 29.87 C ATOM 1517 NZ LYS A 79 33.437 -31.797 35.629 1.00 28.59 N ATOM 1518 N ASP A 80 36.673 -32.348 30.780 1.00 20.86 N ATOM 1519 CA ASP A 80 37.695 -33.338 31.140 1.00 23.77 C ATOM 1520 C ASP A 80 39.109 -32.768 30.977 1.00 20.04 C ATOM 1521 O ASP A 80 39.946 -32.896 31.869 1.00 19.27 O ATOM 1522 CB ASP A 80 37.577 -34.598 30.269 1.00 22.86 C ATOM 1523 CG ASP A 80 36.369 -35.433 30.606 1.00 28.52 C ATOM 1524 OD1 ASP A 80 36.125 -36.424 29.886 1.00 31.42 O ATOM 1525 OD2 ASP A 80 35.661 -35.112 31.586 1.00 24.63 O ATOM 1526 N ARG A 81 39.364 -32.149 29.828 1.00 25.07 N ATOM 1527 CA ARG A 81 40.675 -31.564 29.538 1.00 23.07 C ATOM 1528 C ARG A 81 41.088 -30.444 30.489 1.00 25.19 C ATOM 1529 O ARG A 81 42.247 -30.377 30.911 1.00 23.66 O ATOM 1530 CB ARG A 81 40.710 -31.032 28.107 1.00 18.30 C ATOM 1531 CG ARG A 81 40.663 -32.104 27.036 1.00 20.24 C ATOM 1532 CD ARG A 81 40.956 -31.468 25.699 1.00 19.74 C ATOM 1533 NE ARG A 81 41.003 -32.432 24.616 1.00 23.23 N ATOM 1534 CZ ARG A 81 41.321 -32.116 23.368 1.00 24.47 C ATOM 1535 NH1 ARG A 81 41.618 -30.860 23.064 1.00 22.19 N ATOM 1536 NH2 ARG A 81 41.331 -33.048 22.431 1.00 27.15 N ATOM 1537 N LEU A 82 40.156 -29.552 30.817 1.00 20.72 N ATOM 1538 CA LEU A 82 40.474 -28.453 31.729 1.00 16.14 C ATOM 1539 C LEU A 82 40.793 -28.948 33.136 1.00 18.27 C ATOM 1540 O LEU A 82 41.750 -28.490 33.760 1.00 19.77 O ATOM 1541 CB LEU A 82 39.318 -27.450 31.783 1.00 19.99 C ATOM 1542 CG LEU A 82 39.159 -26.616 30.510 1.00 19.70 C ATOM 1543 CD1 LEU A 82 37.895 -25.752 30.592 1.00 15.31 C ATOM 1544 CD2 LEU A 82 40.415 -25.763 30.318 1.00 17.85 C ATOM 1545 N GLU A 83 40.006 -29.896 33.632 1.00 19.32 N ATOM 1546 CA GLU A 83 40.239 -30.426 34.971 1.00 21.83 C ATOM 1547 C GLU A 83 41.610 -31.089 35.062 1.00 21.64 C ATOM 1548 O GLU A 83 42.289 -30.974 36.078 1.00 19.61 O ATOM 1549 CB GLU A 83 39.141 -31.423 35.354 1.00 23.73 C ATOM 1550 CG GLU A 83 37.770 -30.776 35.543 1.00 29.53 C ATOM 1551 CD GLU A 83 36.712 -31.746 36.058 1.00 35.03 C ATOM 1552 OE1 GLU A 83 36.481 -32.786 35.410 1.00 37.89 O ATOM 1553 OE2 GLU A 83 36.109 -31.464 37.115 1.00 40.29 O ATOM 1554 N GLU A 84 42.021 -31.765 33.990 1.00 28.19 N ATOM 1555 CA GLU A 84 43.326 -32.428 33.969 1.00 29.64 C ATOM 1556 C GLU A 84 44.446 -31.401 34.077 1.00 30.60 C ATOM 1557 O GLU A 84 45.546 -31.713 34.534 1.00 32.05 O ATOM 1558 CB GLU A 84 43.494 -33.252 32.689 1.00 20.24 C ATOM 1559 CG GLU A 84 42.812 -34.619 32.743 1.00 25.27 C ATOM 1560 CD GLU A 84 42.750 -35.314 31.385 1.00 26.42 C ATOM 1561 OE1 GLU A 84 43.518 -34.946 30.473 1.00 29.64 O ATOM 1562 OE2 GLU A 84 41.935 -36.242 31.232 1.00 29.84 O ATOM 1563 N GLU A 85 44.164 -30.172 33.655 1.00 23.82 N ATOM 1564 CA GLU A 85 45.153 -29.108 33.729 1.00 22.49 C ATOM 1565 C GLU A 85 45.018 -28.339 35.042 1.00 23.25 C ATOM 1566 O GLU A 85 45.569 -27.256 35.206 1.00 23.86 O ATOM 1567 CB GLU A 85 45.026 -28.182 32.510 1.00 26.52 C ATOM 1568 CG GLU A 85 45.660 -28.781 31.257 1.00 25.69 C ATOM 1569 CD GLU A 85 45.426 -27.971 29.983 1.00 26.08 C ATOM 1570 OE1 GLU A 85 45.480 -26.723 30.044 1.00 24.36 O ATOM 1571 OE2 GLU A 85 45.211 -28.595 28.912 1.00 22.19 O ATOM 1572 N GLY A 86 44.268 -28.918 35.976 1.00 28.77 N ATOM 1573 CA GLY A 86 44.102 -28.320 37.288 1.00 26.03 C ATOM 1574 C GLY A 86 43.047 -27.246 37.432 1.00 27.47 C ATOM 1575 O GLY A 86 42.984 -26.579 38.463 1.00 25.09 O ATOM 1576 N VAL A 87 42.213 -27.070 36.417 1.00 22.45 N ATOM 1577 CA VAL A 87 41.180 -26.047 36.489 1.00 22.54 C ATOM 1578 C VAL A 87 40.015 -26.518 37.352 1.00 21.95 C ATOM 1579 O VAL A 87 39.449 -27.589 37.130 1.00 22.16 O ATOM 1580 CB VAL A 87 40.659 -25.684 35.082 1.00 24.58 C ATOM 1581 CG1 VAL A 87 39.578 -24.627 35.184 1.00 25.47 C ATOM 1582 CG2 VAL A 87 41.806 -25.181 34.220 1.00 23.10 C ATOM 1583 N GLU A 88 39.681 -25.722 38.359 1.00 21.19 N ATOM 1584 CA GLU A 88 38.573 -26.042 39.244 1.00 22.73 C ATOM 1585 C GLU A 88 37.277 -25.711 38.520 1.00 22.34 C ATOM 1586 O GLU A 88 37.090 -24.591 38.051 1.00 19.59 O ATOM 1587 CB GLU A 88 38.657 -25.210 40.526 1.00 30.18 C ATOM 1588 CG GLU A 88 37.377 -25.207 41.369 1.00 37.73 C ATOM 1589 CD GLU A 88 37.121 -26.520 42.087 1.00 40.24 C ATOM 1590 OE1 GLU A 88 36.026 -26.670 42.673 1.00 38.69 O ATOM 1591 OE2 GLU A 88 38.011 -27.398 42.074 1.00 39.37 O ATOM 1592 N ILE A 89 36.389 -26.687 38.423 1.00 22.01 N ATOM 1593 CA ILE A 89 35.111 -26.468 37.773 1.00 23.71 C ATOM 1594 C ILE A 89 34.010 -26.748 38.780 1.00 22.00 C ATOM 1595 O ILE A 89 33.956 -27.820 39.362 1.00 22.42 O ATOM 1596 CB ILE A 89 34.959 -27.373 36.521 1.00 29.88 C ATOM 1597 CG1 ILE A 89 35.936 -26.897 35.438 1.00 28.14 C ATOM 1598 CG2 ILE A 89 33.530 -27.320 35.992 1.00 33.10 C ATOM 1599 CD1 ILE A 89 35.845 -27.653 34.137 1.00 30.07 C ATOM 1600 N TYR A 90 33.146 -25.767 39.010 1.00 23.16 N ATOM 1601 CA TYR A 90 32.066 -25.960 39.965 1.00 23.20 C ATOM 1602 C TYR A 90 30.703 -26.024 39.291 1.00 24.32 C ATOM 1603 O TYR A 90 30.558 -25.669 38.114 1.00 21.48 O ATOM 1604 CB TYR A 90 32.115 -24.873 41.046 1.00 28.86 C ATOM 1605 CG TYR A 90 32.072 -23.448 40.559 1.00 32.31 C ATOM 1606 CD1 TYR A 90 30.855 -22.803 40.335 1.00 36.02 C ATOM 1607 CD2 TYR A 90 33.250 -22.720 40.371 1.00 36.68 C ATOM 1608 CE1 TYR A 90 30.807 -21.462 39.942 1.00 39.02 C ATOM 1609 CE2 TYR A 90 33.217 -21.377 39.977 1.00 37.09 C ATOM 1610 CZ TYR A 90 31.992 -20.755 39.767 1.00 41.91 C ATOM 1611 OH TYR A 90 31.949 -19.425 39.399 1.00 42.35 O ATOM 1612 N GLN A 91 29.710 -26.501 40.033 1.00 24.48 N ATOM 1613 CA GLN A 91 28.369 -26.644 39.494 1.00 25.75 C ATOM 1614 C GLN A 91 27.365 -25.727 40.180 1.00 26.59 C ATOM 1615 O GLN A 91 27.275 -25.695 41.408 1.00 25.49 O ATOM 1616 CB GLN A 91 27.912 -28.099 39.625 1.00 29.83 C ATOM 1617 CG GLN A 91 26.629 -28.402 38.869 1.00 34.80 C ATOM 1618 CD GLN A 91 26.223 -29.858 38.966 1.00 39.55 C ATOM 1619 OE1 GLN A 91 26.053 -30.399 40.060 1.00 39.83 O ATOM 1620 NE2 GLN A 91 26.054 -30.499 37.818 1.00 41.58 N ATOM 1621 N THR A 92 26.613 -24.983 39.375 1.00 27.25 N ATOM 1622 CA THR A 92 25.606 -24.068 39.897 1.00 25.86 C ATOM 1623 C THR A 92 24.330 -24.832 40.230 1.00 28.68 C ATOM 1624 O THR A 92 24.188 -26.005 39.886 1.00 26.83 O ATOM 1625 CB THR A 92 25.254 -22.972 38.876 1.00 26.21 C ATOM 1626 OG1 THR A 92 24.552 -23.562 37.773 1.00 27.33 O ATOM 1627 CG2 THR A 92 26.518 -22.290 38.358 1.00 24.24 C ATOM 1628 N SER A 93 23.399 -24.150 40.893 1.00 31.74 N ATOM 1629 CA SER A 93 22.131 -24.749 41.290 1.00 35.71 C ATOM 1630 C SER A 93 21.314 -25.215 40.086 1.00 35.68 C ATOM 1631 O SER A 93 20.577 -26.196 40.169 1.00 34.97 O ATOM 1632 CB SER A 93 21.317 -23.744 42.108 1.00 55.13 C ATOM 1633 OG SER A 93 20.960 -22.622 41.316 1.00 62.93 O ATOM 1634 N LEU A 94 21.443 -24.510 38.969 1.00 37.54 N ATOM 1635 CA LEU A 94 20.713 -24.878 37.763 1.00 39.08 C ATOM 1636 C LEU A 94 21.418 -25.976 36.970 1.00 38.31 C ATOM 1637 O LEU A 94 20.983 -26.339 35.876 1.00 38.45 O ATOM 1638 CB LEU A 94 20.485 -23.643 36.892 1.00 57.58 C ATOM 1639 CG LEU A 94 19.444 -22.686 37.481 1.00 60.62 C ATOM 1640 CD1 LEU A 94 19.509 -21.346 36.767 1.00 63.19 C ATOM 1641 CD2 LEU A 94 18.052 -23.307 37.366 1.00 61.39 C ATOM 1642 N GLY A 95 22.509 -26.496 37.529 1.00 36.52 N ATOM 1643 CA GLY A 95 23.243 -27.574 36.889 1.00 33.43 C ATOM 1644 C GLY A 95 24.357 -27.231 35.917 1.00 33.00 C ATOM 1645 O GLY A 95 24.944 -28.130 35.319 1.00 34.02 O ATOM 1646 N GLU A 96 24.659 -25.949 35.752 1.00 30.01 N ATOM 1647 CA GLU A 96 25.715 -25.535 34.830 1.00 30.88 C ATOM 1648 C GLU A 96 27.108 -25.674 35.440 1.00 26.14 C ATOM 1649 O GLU A 96 27.291 -25.464 36.637 1.00 25.16 O ATOM 1650 CB GLU A 96 25.516 -24.075 34.423 1.00 50.76 C ATOM 1651 CG GLU A 96 24.147 -23.752 33.868 1.00 59.27 C ATOM 1652 CD GLU A 96 23.906 -22.261 33.814 1.00 64.51 C ATOM 1653 OE1 GLU A 96 24.691 -21.557 33.143 1.00 67.53 O ATOM 1654 OE2 GLU A 96 22.937 -21.793 34.449 1.00 67.68 O ATOM 1655 N TYR A 97 28.088 -26.023 34.611 1.00 25.52 N ATOM 1656 CA TYR A 97 29.467 -26.144 35.074 1.00 22.98 C ATOM 1657 C TYR A 97 30.180 -24.838 34.748 1.00 21.93 C ATOM 1658 O TYR A 97 30.073 -24.331 33.629 1.00 21.22 O ATOM 1659 CB TYR A 97 30.153 -27.324 34.391 1.00 25.15 C ATOM 1660 CG TYR A 97 29.662 -28.658 34.904 1.00 30.49 C ATOM 1661 CD1 TYR A 97 29.880 -29.033 36.230 1.00 28.92 C ATOM 1662 CD2 TYR A 97 28.961 -29.537 34.078 1.00 32.59 C ATOM 1663 CE1 TYR A 97 29.415 -30.243 36.722 1.00 30.78 C ATOM 1664 CE2 TYR A 97 28.490 -30.756 34.561 1.00 32.83 C ATOM 1665 CZ TYR A 97 28.723 -31.100 35.887 1.00 33.45 C ATOM 1666 OH TYR A 97 28.270 -32.300 36.387 1.00 40.11 O ATOM 1667 N LYS A 98 30.895 -24.285 35.726 1.00 20.67 N ATOM 1668 CA LYS A 98 31.600 -23.019 35.526 1.00 19.50 C ATOM 1669 C LYS A 98 32.948 -22.940 36.239 1.00 19.70 C ATOM 1670 O LYS A 98 33.188 -23.641 37.222 1.00 20.23 O ATOM 1671 CB LYS A 98 30.734 -21.851 36.012 1.00 25.22 C ATOM 1672 CG LYS A 98 29.393 -21.719 35.315 1.00 35.08 C ATOM 1673 CD LYS A 98 28.612 -20.514 35.828 1.00 38.19 C ATOM 1674 CE LYS A 98 27.347 -20.294 35.006 1.00 42.42 C ATOM 1675 NZ LYS A 98 26.566 -19.112 35.465 1.00 45.90 N ATOM 1676 N LEU A 99 33.817 -22.062 35.744 1.00 22.81 N ATOM 1677 CA LEU A 99 35.122 -21.858 36.349 1.00 24.52 C ATOM 1678 C LEU A 99 35.290 -20.377 36.681 1.00 26.04 C ATOM 1679 O LEU A 99 34.549 -19.536 36.173 1.00 25.73 O ATOM 1680 CB LEU A 99 36.233 -22.336 35.402 1.00 23.49 C ATOM 1681 CG LEU A 99 36.289 -21.806 33.966 1.00 24.61 C ATOM 1682 CD1 LEU A 99 36.639 -20.329 33.956 1.00 25.59 C ATOM 1683 CD2 LEU A 99 37.331 -22.592 33.186 1.00 25.69 C ATOM 1684 N ASN A 100 36.257 -20.067 37.540 1.00 25.53 N ATOM 1685 CA ASN A 100 36.540 -18.694 37.951 1.00 26.11 C ATOM 1686 C ASN A 100 37.480 -18.072 36.919 1.00 25.91 C ATOM 1687 O ASN A 100 38.703 -18.188 37.020 1.00 26.96 O ATOM 1688 CB ASN A 100 37.176 -18.697 39.351 1.00 30.59 C ATOM 1689 CG ASN A 100 37.689 -17.323 39.778 1.00 38.12 C ATOM 1690 OD1 ASN A 100 37.160 -16.289 39.365 1.00 36.38 O ATOM 1691 ND2 ASN A 100 38.714 -17.312 40.631 1.00 35.81 N ATOM 1692 N LEU A 101 36.889 -17.411 35.928 1.00 22.38 N ATOM 1693 CA LEU A 101 37.633 -16.795 34.827 1.00 25.00 C ATOM 1694 C LEU A 101 38.842 -15.934 35.192 1.00 23.40 C ATOM 1695 O LEU A 101 39.940 -16.151 34.678 1.00 25.12 O ATOM 1696 CB LEU A 101 36.678 -15.989 33.932 1.00 28.74 C ATOM 1697 CG LEU A 101 37.278 -15.473 32.618 1.00 29.29 C ATOM 1698 CD1 LEU A 101 37.935 -16.628 31.861 1.00 28.07 C ATOM 1699 CD2 LEU A 101 36.189 -14.831 31.779 1.00 31.90 C ATOM 1700 N PRO A 102 38.663 -14.935 36.068 1.00 31.60 N ATOM 1701 CA PRO A 102 39.827 -14.111 36.416 1.00 30.82 C ATOM 1702 C PRO A 102 41.006 -14.913 36.964 1.00 31.41 C ATOM 1703 O PRO A 102 42.151 -14.490 36.859 1.00 31.46 O ATOM 1704 CB PRO A 102 39.264 -13.122 37.434 1.00 30.13 C ATOM 1705 CG PRO A 102 38.107 -13.862 38.038 1.00 32.89 C ATOM 1706 CD PRO A 102 37.474 -14.515 36.829 1.00 29.89 C ATOM 1707 N GLU A 103 40.731 -16.077 37.538 1.00 27.44 N ATOM 1708 CA GLU A 103 41.800 -16.902 38.085 1.00 26.38 C ATOM 1709 C GLU A 103 42.572 -17.668 37.014 1.00 27.10 C ATOM 1710 O GLU A 103 43.755 -17.946 37.179 1.00 28.89 O ATOM 1711 CB GLU A 103 41.242 -17.902 39.099 1.00 39.72 C ATOM 1712 CG GLU A 103 42.292 -18.884 39.620 1.00 45.32 C ATOM 1713 CD GLU A 103 41.751 -19.826 40.679 1.00 49.43 C ATOM 1714 OE1 GLU A 103 42.509 -20.721 41.121 1.00 46.34 O ATOM 1715 OE2 GLU A 103 40.572 -19.668 41.067 1.00 47.69 O ATOM 1716 N TYR A 104 41.907 -18.020 35.920 1.00 25.73 N ATOM 1717 CA TYR A 104 42.565 -18.772 34.860 1.00 25.87 C ATOM 1718 C TYR A 104 42.806 -17.995 33.575 1.00 27.02 C ATOM 1719 O TYR A 104 43.479 -18.483 32.665 1.00 26.36 O ATOM 1720 CB TYR A 104 41.758 -20.029 34.550 1.00 23.74 C ATOM 1721 CG TYR A 104 41.676 -20.964 35.726 1.00 23.56 C ATOM 1722 CD1 TYR A 104 40.556 -20.985 36.558 1.00 25.00 C ATOM 1723 CD2 TYR A 104 42.737 -21.808 36.029 1.00 22.04 C ATOM 1724 CE1 TYR A 104 40.498 -21.831 37.665 1.00 24.09 C ATOM 1725 CE2 TYR A 104 42.691 -22.651 37.127 1.00 25.23 C ATOM 1726 CZ TYR A 104 41.572 -22.663 37.941 1.00 25.09 C ATOM 1727 OH TYR A 104 41.532 -23.522 39.016 1.00 26.23 O ATOM 1728 N MET A 105 42.267 -16.785 33.498 1.00 27.95 N ATOM 1729 CA MET A 105 42.438 -15.969 32.303 1.00 30.09 C ATOM 1730 C MET A 105 43.921 -15.711 32.047 1.00 30.72 C ATOM 1731 O MET A 105 44.638 -15.224 32.918 1.00 28.91 O ATOM 1732 CB MET A 105 41.693 -14.641 32.466 1.00 37.42 C ATOM 1733 CG MET A 105 41.776 -13.713 31.268 1.00 43.73 C ATOM 1734 SD MET A 105 40.905 -14.343 29.819 1.00 49.91 S ATOM 1735 CE MET A 105 39.253 -13.722 30.141 1.00 45.09 C ATOM 1736 N TRP A 106 44.377 -16.054 30.850 1.00 29.97 N ATOM 1737 CA TRP A 106 45.769 -15.853 30.469 1.00 32.72 C ATOM 1738 C TRP A 106 46.063 -14.368 30.276 1.00 34.36 C ATOM 1739 O TRP A 106 45.275 -13.651 29.673 1.00 30.24 O ATOM 1740 CB TRP A 106 46.053 -16.619 29.174 1.00 38.64 C ATOM 1741 CG TRP A 106 47.403 -16.375 28.573 1.00 38.69 C ATOM 1742 CD1 TRP A 106 48.591 -16.279 29.233 1.00 38.00 C ATOM 1743 CD2 TRP A 106 47.709 -16.270 27.176 1.00 40.33 C ATOM 1744 NE1 TRP A 106 49.621 -16.123 28.334 1.00 41.12 N ATOM 1745 CE2 TRP A 106 49.107 -16.115 27.064 1.00 40.15 C ATOM 1746 CE3 TRP A 106 46.936 -16.297 26.006 1.00 39.65 C ATOM 1747 CZ2 TRP A 106 49.753 -15.985 25.831 1.00 41.44 C ATOM 1748 CZ3 TRP A 106 47.578 -16.168 24.777 1.00 42.50 C ATOM 1749 CH2 TRP A 106 48.974 -16.014 24.702 1.00 42.61 C ATOM 1750 N LYS A 107 47.192 -13.906 30.803 1.00 43.59 N ATOM 1751 CA LYS A 107 47.576 -12.504 30.657 1.00 51.66 C ATOM 1752 C LYS A 107 48.607 -12.343 29.534 1.00 54.71 C ATOM 1753 O LYS A 107 49.814 -12.413 29.771 1.00 53.41 O ATOM 1754 CB LYS A 107 48.153 -11.962 31.970 1.00 66.95 C ATOM 1755 CG LYS A 107 47.115 -11.506 32.991 1.00 70.30 C ATOM 1756 CD LYS A 107 46.292 -12.660 33.544 1.00 73.50 C ATOM 1757 CE LYS A 107 45.371 -12.185 34.663 1.00 75.48 C ATOM 1758 NZ LYS A 107 44.610 -13.305 35.290 1.00 75.95 N ATOM 1759 N PRO A 108 48.135 -12.137 28.292 1.00 80.02 N ATOM 1760 CA PRO A 108 48.983 -11.964 27.108 1.00 83.22 C ATOM 1761 C PRO A 108 49.900 -10.742 27.203 1.00 85.71 C ATOM 1762 O PRO A 108 49.727 -9.817 26.380 1.00 88.24 O ATOM 1763 CB PRO A 108 47.966 -11.827 25.976 1.00 79.73 C ATOM 1764 CG PRO A 108 46.801 -12.627 26.470 1.00 78.66 C ATOM 1765 CD PRO A 108 46.716 -12.178 27.900 1.00 77.77 C TER 1766 PRO B 108 HETATM 1767 O HOH A3001 13.530 -20.565 3.537 1.00 20.15 O HETATM 1768 O HOH A3002 17.693 -15.546 -10.947 1.00 21.66 O HETATM 1769 O HOH A3003 4.473 -9.195 17.462 1.00 49.55 O HETATM 1770 O HOH A3004 11.749 -25.382 5.681 1.00 34.57 O HETATM 1771 O HOH A3005 10.819 -23.538 7.836 1.00 31.22 O HETATM 1772 O HOH A3006 21.750 -29.158 3.490 1.00 44.38 O HETATM 1773 O HOH A3007 15.530 -25.682 1.506 1.00 26.10 O HETATM 1774 O HOH A3010 17.441 -8.256 -10.841 1.00 25.50 O HETATM 1775 O HOH A3017 25.721 -20.886 14.102 1.00 21.88 O HETATM 1776 O HOH A3018 28.150 -19.487 12.638 1.00 43.13 O HETATM 1777 O HOH A3019 28.911 -12.908 4.880 1.00 35.70 O HETATM 1778 O HOH A3020 30.976 -17.834 4.726 1.00 39.47 O HETATM 1779 O HOH A3022 22.818 -12.167 -1.882 1.00 30.41 O HETATM 1780 O HOH A3023 22.842 -22.924 1.730 1.00 33.52 O HETATM 1781 O HOH A3024 12.796 -15.572 3.668 1.00 37.83 O HETATM 1782 O HOH A3025 8.666 -21.363 8.001 1.00 37.23 O HETATM 1783 O HOH A3026 8.508 -20.509 10.843 1.00 34.76 O HETATM 1784 O HOH A3027 11.444 -18.310 3.562 1.00 42.16 O HETATM 1785 O HOH A3028 13.297 -28.902 9.884 1.00 41.61 O HETATM 1786 O HOH A3029 23.171 -26.641 4.690 1.00 50.62 O HETATM 1787 O HOH A3030 19.201 -31.802 16.946 1.00 54.27 O HETATM 1788 O HOH A3031 17.880 -4.751 8.425 1.00 24.12 O HETATM 1789 O HOH A3033 20.884 -6.120 7.410 1.00 40.38 O HETATM 1790 O HOH A3034 13.715 -23.587 -6.235 1.00 42.43 O HETATM 1791 O HOH A3035 9.943 -22.781 -7.779 1.00 63.13 O HETATM 1792 O HOH A3036 14.623 -21.417 -8.297 1.00 37.08 O HETATM 1793 O HOH A3039 26.188 -15.628 -6.538 1.00 61.13 O HETATM 1794 O HOH A3052 19.634 -16.108 -13.228 1.00 29.31 O HETATM 1795 O HOH A3071 22.646 -31.404 10.219 1.00 43.55 O HETATM 1796 O HOH A3073 12.321 -8.025 -11.907 1.00 26.48 O HETATM 1797 O HOH A3075 14.927 -2.996 -6.656 1.00 35.52 O HETATM 1798 O HOH A3082 15.674 -19.548 -13.369 1.00 50.05 O HETATM 1799 O HOH A3087 12.199 -7.202 17.582 1.00 54.23 O HETATM 1800 O HOH A3092 13.761 -24.253 3.883 1.00 37.66 O HETATM 1801 O HOH A3104 22.094 -4.800 0.001 1.00 50.73 O HETATM 1802 O HOH A3108 16.981 -31.754 14.753 1.00 39.24 O HETATM 1803 O HOH A3111 16.644 -31.103 7.607 1.00 37.79 O HETATM 1804 O HOH A3112 13.349 -0.803 -0.049 1.00 41.99 O HETATM 1805 O HOH A3113 10.770 -27.369 12.010 1.00 39.07 O HETATM 1806 O HOH A3116 25.869 -20.116 -10.714 1.00 44.75 O HETATM 1807 O HOH A3126 11.592 -14.040 1.175 1.00 38.42 O HETATM 1808 O HOH A3128 18.353 -14.257 21.805 1.00 33.48 O HETATM 1809 O HOH A3129 21.681 -33.316 15.596 1.00 42.96 O HETATM 1810 O HOH A3131 17.174 -26.247 -0.964 1.00 52.73 O HETATM 1811 O HOH A3132 18.361 -26.451 -12.111 1.00 43.96 O HETATM 1812 O HOH A3133 20.879 -27.213 -10.344 1.00 37.75 O HETATM 1813 O HOH A3134 19.358 -25.092 -5.026 1.00 35.41 O HETATM 1814 O HOH A3138 22.290 -32.887 7.557 1.00 43.18 O HETATM 1815 O HOH A3141 18.250 -17.218 29.012 1.00 47.26 O HETATM 1816 O HOH A3143 14.587 -13.509 5.071 1.00 42.65 O HETATM 1817 O HOH A3162 7.457 -13.679 19.590 1.00 57.87 O HETATM 1818 O HOH A3168 28.509 -24.578 12.558 1.00 50.30 O HETATM 1819 O HOH A3169 32.322 -14.579 3.841 1.00 49.86 O HETATM 1820 O HOH A3171 32.491 -18.246 7.351 1.00 71.98 O HETATM 1821 O HOH A3178 5.041 -12.251 18.321 1.00 63.76 O HETATM 1822 O HOH A3185 24.909 -35.176 6.941 1.00 61.37 O HETATM 1823 O HOH A3186 7.855 -13.822 0.823 1.00 49.74 O HETATM 1824 O HOH A3187 17.122 -23.521 -12.498 1.00 39.58 O HETATM 1825 O HOH A3202 28.854 -20.578 -3.052 1.00 57.89 O HETATM 1826 O HOH A3215 6.992 -20.661 -8.829 1.00 57.43 O HETATM 1827 O HOH A3221 24.864 -14.292 16.393 1.00 29.04 O HETATM 1828 O HOH B3011 51.874 -21.028 18.141 1.00 38.19 O HETATM 1829 O HOH B3013 33.484 -9.117 16.161 1.00 45.34 O HETATM 1830 O HOH B3014 36.970 -11.948 27.628 1.00 24.60 O HETATM 1831 O HOH B3016 37.460 -21.951 38.975 1.00 21.33 O HETATM 1832 O HOH B3041 49.413 -26.346 19.593 1.00 34.55 O HETATM 1833 O HOH B3042 43.823 -14.342 27.764 1.00 45.82 O HETATM 1834 O HOH B3043 44.634 -10.111 25.051 1.00 41.33 O HETATM 1835 O HOH B3044 51.579 -9.743 21.396 1.00 63.65 O HETATM 1836 O HOH B3045 35.760 -7.522 18.894 1.00 30.87 O HETATM 1837 O HOH B3046 32.434 -13.293 19.941 1.00 49.96 O HETATM 1838 O HOH B3047 35.229 -21.963 21.090 1.00 39.52 O HETATM 1839 O HOH B3049 36.889 -25.454 18.757 1.00 39.76 O HETATM 1840 O HOH B3051 41.407 -32.057 19.709 1.00 26.95 O HETATM 1841 O HOH B3053 30.298 -18.265 23.099 1.00 33.73 O HETATM 1842 O HOH B3054 33.179 -18.737 23.821 1.00 31.85 O HETATM 1843 O HOH B3055 28.176 -17.626 24.949 1.00 30.65 O HETATM 1844 O HOH B3056 27.690 -16.779 27.843 1.00 40.01 O HETATM 1845 O HOH B3057 34.918 -34.248 33.910 1.00 34.09 O HETATM 1846 O HOH B3058 37.498 -29.150 39.042 1.00 29.06 O HETATM 1847 O HOH B3063 31.764 -29.259 38.802 1.00 53.26 O HETATM 1848 O HOH B3064 30.434 -29.660 41.470 1.00 33.35 O HETATM 1849 O HOH B3066 51.840 -8.815 24.415 1.00 36.05 O HETATM 1850 O HOH B3068 30.128 -21.600 10.394 1.00 23.62 O HETATM 1851 O HOH B3069 42.946 -38.515 32.268 1.00 20.03 O HETATM 1852 O HOH B3070 35.251 -36.414 27.402 1.00 25.75 O HETATM 1853 O HOH B3074 39.181 -34.455 34.236 1.00 33.79 O HETATM 1854 O HOH B3076 28.814 -9.684 10.890 1.00 53.86 O HETATM 1855 O HOH B3079 52.924 -19.909 25.741 1.00 39.89 O HETATM 1856 O HOH B3081 32.093 -24.482 26.725 1.00 28.41 O HETATM 1857 O HOH B3083 28.729 -25.891 23.992 1.00 68.13 O HETATM 1858 O HOH B3084 48.792 -15.459 15.786 1.00 44.17 O HETATM 1859 O HOH B3085 42.445 -37.156 17.667 1.00 58.09 O HETATM 1860 O HOH B3086 50.845 -16.093 18.009 1.00 36.72 O HETATM 1861 O HOH B3088 33.741 -14.218 33.862 1.00 46.91 O HETATM 1862 O HOH B3090 34.009 -16.435 35.970 1.00 36.80 O HETATM 1863 O HOH B3094 29.062 -32.135 20.862 1.00 48.15 O HETATM 1864 O HOH B3095 24.465 -22.070 41.960 1.00 37.67 O HETATM 1865 O HOH B3096 39.167 -21.690 41.508 1.00 43.91 O HETATM 1866 O HOH B3097 32.019 -32.259 38.235 1.00 39.83 O HETATM 1867 O HOH B3098 32.590 -36.192 34.681 1.00 44.96 O HETATM 1868 O HOH B3099 53.732 -8.831 19.375 1.00 48.92 O HETATM 1869 O HOH B3102 23.396 -33.936 25.261 1.00 41.82 O HETATM 1870 O HOH B3107 44.626 -34.820 17.976 1.00 45.36 O HETATM 1871 O HOH B3110 26.282 -10.180 9.588 1.00 37.42 O HETATM 1872 O HOH B3119 45.065 -33.206 20.826 1.00 34.41 O HETATM 1873 O HOH B3121 28.752 -28.390 22.103 1.00 35.93 O HETATM 1874 O HOH B3122 44.068 -31.242 28.934 1.00 41.13 O HETATM 1875 O HOH B3124 20.534 -29.208 38.067 1.00 52.51 O HETATM 1876 O HOH B3127 39.634 -36.660 32.301 1.00 25.71 O HETATM 1877 O HOH B3137 35.690 -22.160 42.226 1.00 56.04 O HETATM 1878 O HOH B3155 34.286 -33.259 20.543 1.00 58.73 O HETATM 1879 O HOH B3192 30.982 -33.050 16.677 1.00 55.17 O HETATM 1880 O HOH B3193 31.228 -35.707 19.215 1.00 51.44 O HETATM 1881 O HOH B3194 20.870 -23.444 32.787 1.00 46.66 O HETATM 1882 O HOH B3207 32.009 -26.635 10.702 1.00 46.93 O HETATM 1883 O HOH B3208 34.027 -30.269 19.695 1.00 43.01 O HETATM 1884 O HOH B3210 27.837 -36.239 27.130 1.00 49.99 O HETATM 1885 O HOH B3217 47.495 -8.246 24.182 1.00 63.42 O HETATM 1886 O HOH B3220 44.941 -24.724 39.192 1.00 35.70 O HETATM 1887 O HOH B3222 43.519 -30.120 21.074 1.00 27.53 O MASTER 297 0 0 12 5 0 0 6 1885 2 0 18 END