Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN 12-OCT-12 4HJ5 TITLE CRYSTAL STRUCTURE OF SCHIZOSACCHAROMYCES POMBE POT1PC BOUND TO SSDNA TITLE 2 (GGTTTCGGT) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTECTION OF TELOMERES PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: POT1PC, PARTIAL DNA BINDING DOMAIN, RESIDUES 198-339; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*GP*GP*TP*TP*TP*CP*GP*GP*T)-3'); COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 OTHER_DETAILS: TELOMERIC SINGLE-STRANDED DNA, A5T VARIANT SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 284812; SOURCE 5 STRAIN: 972H-; SOURCE 6 GENE: POT1, SPAC26H5.06; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PTXB1; SOURCE 12 MOL_ID: 2; SOURCE 13 SYNTHETIC: YES; SOURCE 14 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 15 ORGANISM_TAXID: 284812; SOURCE 16 OTHER_DETAILS: VARIATION OF S. POMBE TELOMERIC SEQUENCE KEYWDS SPECIFICITY, PLASTICITY, PROMISCUITY, OB-FOLD, SSDNA-BINDING, SINGLE- KEYWDS 2 STRANDED TELOMERIC DNA, DNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR T.H.DICKEY,D.S.WUTTKE REVDAT 3 15-NOV-17 4HJ5 1 REMARK REVDAT 2 27-FEB-13 4HJ5 1 JRNL REVDAT 1 12-DEC-12 4HJ5 0 JRNL AUTH T.H.DICKEY,M.A.MCKERCHER,D.S.WUTTKE JRNL TITL NONSPECIFIC RECOGNITION IS ACHIEVED IN POT1PC THROUGH THE JRNL TITL 2 USE OF MULTIPLE BINDING MODES. JRNL REF STRUCTURE V. 21 121 2013 JRNL REFN ISSN 0969-2126 JRNL PMID 23201273 JRNL DOI 10.1016/J.STR.2012.10.015 REMARK 2 REMARK 2 RESOLUTION. 2.04 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.7_650 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.04 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.95 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 89.4 REMARK 3 NUMBER OF REFLECTIONS : 9514 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.230 REMARK 3 R VALUE (WORKING SET) : 0.226 REMARK 3 FREE R VALUE : 0.261 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 951 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 29.9545 - 3.8994 0.89 1297 145 0.2018 0.2109 REMARK 3 2 3.8994 - 3.0961 0.90 1245 139 0.2024 0.2562 REMARK 3 3 3.0961 - 2.7050 0.92 1264 140 0.2430 0.2999 REMARK 3 4 2.7050 - 2.4578 0.93 1251 136 0.2584 0.3031 REMARK 3 5 2.4578 - 2.2817 0.91 1217 136 0.2492 0.3241 REMARK 3 6 2.2817 - 2.1472 0.90 1207 134 0.2821 0.2967 REMARK 3 7 2.1472 - 2.0397 0.81 1082 121 0.3077 0.3506 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.32 REMARK 3 B_SOL : 28.94 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.310 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.830 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.58 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 5.99570 REMARK 3 B22 (A**2) : -1.44730 REMARK 3 B33 (A**2) : -5.26470 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 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.008 1406 REMARK 3 ANGLE : 1.097 1941 REMARK 3 CHIRALITY : 0.076 202 REMARK 3 PLANARITY : 0.004 215 REMARK 3 DIHEDRAL : 16.845 531 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4HJ5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-OCT-12. REMARK 100 THE DEPOSITION ID IS D_1000075530. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-FEB-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : OSMIC MIRRORS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK, HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9855 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.040 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.0 REMARK 200 DATA REDUNDANCY : 2.400 REMARK 200 R MERGE (I) : 0.07700 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.12 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 REMARK 200 R MERGE FOR SHELL (I) : 0.41100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX 1.7_650 REMARK 200 STARTING MODEL: 4HIK REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.33 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 35% PEG 6000, 0.2M SODIUM FORMATE, PH REMARK 280 7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 290K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43650 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 32.88150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.62200 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 32.88150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43650 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.62200 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2080 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8630 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 SER A 2 REMARK 465 ASP A 3 REMARK 465 GLN A 142 REMARK 465 ASN A 143 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 112 OG REMARK 470 LYS A 114 CG CD CE NZ REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 CYS A 106 CA CB SG REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ASN A 117 O HOH A 255 1.94 REMARK 500 O HOH A 253 O HOH A 262 2.03 REMARK 500 O HOH A 221 O HOH B 101 2.13 REMARK 500 OE1 GLU A 42 O HOH A 264 2.16 REMARK 500 OP1 DC B 6 O HOH B 103 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DT B 4 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 55 91.90 75.75 REMARK 500 ASP A 73 -123.31 53.30 REMARK 500 TYR A 82 -55.98 -132.31 REMARK 500 SER A 112 -121.32 58.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4HIO RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HIM RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HIK RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HID RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HJ7 RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HJ8 RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HJ9 RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE REMARK 900 RELATED ID: 4HJA RELATED DB: PDB REMARK 900 THE SAME PROTEIN BOUND TO A DIFFERENT SSDNA SEQUENCE DBREF 4HJ5 A 2 143 UNP O13988 POT1_SCHPO 198 339 DBREF 4HJ5 B 1 9 PDB 4HJ5 4HJ5 1 9 SEQADV 4HJ5 MET A 1 UNP O13988 EXPRESSION TAG SEQADV 4HJ5 ASP A 3 UNP O13988 VAL 199 ENGINEERED MUTATION SEQRES 1 A 143 MET SER ASP SER PHE SER LEU LEU SER GLN ILE THR PRO SEQRES 2 A 143 HIS GLN ARG CYS SER PHE TYR ALA GLN VAL ILE LYS THR SEQRES 3 A 143 TRP TYR SER ASP LYS ASN PHE THR LEU TYR VAL THR ASP SEQRES 4 A 143 TYR THR GLU ASN GLU LEU PHE PHE PRO MET SER PRO TYR SEQRES 5 A 143 THR SER SER SER ARG TRP ARG GLY PRO PHE GLY ARG PHE SEQRES 6 A 143 SER ILE ARG CYS ILE LEU TRP ASP GLU HIS ASP PHE TYR SEQRES 7 A 143 CYS ARG ASN TYR ILE LYS GLU GLY ASP TYR VAL VAL MET SEQRES 8 A 143 LYS ASN VAL ARG THR LYS ILE ASP HIS LEU GLY TYR LEU SEQRES 9 A 143 GLU CYS ILE LEU HIS GLY ASP SER ALA LYS ARG TYR ASN SEQRES 10 A 143 MET SER ILE GLU LYS VAL ASP SER GLU GLU PRO GLU LEU SEQRES 11 A 143 ASN GLU ILE LYS SER ARG LYS ARG LEU TYR VAL GLN ASN SEQRES 1 B 9 DG DG DT DT DT DC DG DG DT FORMUL 3 HOH *93(H2 O) HELIX 1 1 LEU A 7 ILE A 11 5 5 HELIX 2 2 TRP A 72 ARG A 80 1 9 HELIX 3 3 ALA A 113 ASN A 117 5 5 HELIX 4 4 GLU A 127 GLU A 129 5 3 HELIX 5 5 LEU A 130 ARG A 138 1 9 SHEET 1 A 7 SER A 119 VAL A 123 0 SHEET 2 A 7 TYR A 88 ILE A 98 -1 N TYR A 88 O VAL A 123 SHEET 3 A 7 LEU A 104 LEU A 108 -1 O GLU A 105 N LYS A 97 SHEET 4 A 7 ILE A 67 LEU A 71 1 N ILE A 70 O CYS A 106 SHEET 5 A 7 PHE A 33 THR A 38 -1 N LEU A 35 O CYS A 69 SHEET 6 A 7 ARG A 16 TYR A 28 -1 N GLN A 22 O THR A 38 SHEET 7 A 7 TYR A 88 ILE A 98 -1 O VAL A 89 N ALA A 21 CISPEP 1 GLY A 110 ASP A 111 0 -18.86 CRYST1 40.873 59.244 65.763 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.024466 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016879 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015206 0.00000 ATOM 1 N SER A 4 5.769 8.616 12.311 1.00 51.59 N ATOM 2 CA SER A 4 4.538 9.360 12.552 1.00 42.87 C ATOM 3 C SER A 4 4.847 10.710 13.206 1.00 41.66 C ATOM 4 O SER A 4 6.002 11.022 13.498 1.00 35.79 O ATOM 5 CB SER A 4 3.582 8.546 13.429 1.00 46.40 C ATOM 6 OG SER A 4 2.229 8.923 13.217 1.00 52.33 O ATOM 7 N PHE A 5 3.807 11.507 13.425 1.00 40.19 N ATOM 8 CA PHE A 5 3.958 12.816 14.041 1.00 38.68 C ATOM 9 C PHE A 5 4.155 12.680 15.553 1.00 45.18 C ATOM 10 O PHE A 5 3.818 11.645 16.133 1.00 43.99 O ATOM 11 CB PHE A 5 2.746 13.699 13.711 1.00 38.93 C ATOM 12 CG PHE A 5 2.592 13.991 12.233 1.00 41.81 C ATOM 13 CD1 PHE A 5 1.753 13.218 11.440 1.00 46.69 C ATOM 14 CD2 PHE A 5 3.290 15.033 11.639 1.00 41.89 C ATOM 15 CE1 PHE A 5 1.617 13.475 10.091 1.00 44.48 C ATOM 16 CE2 PHE A 5 3.156 15.301 10.289 1.00 42.56 C ATOM 17 CZ PHE A 5 2.319 14.517 9.511 1.00 43.03 C ATOM 18 N SER A 6 4.721 13.714 16.181 1.00 37.80 N ATOM 19 CA SER A 6 4.831 13.774 17.642 1.00 38.61 C ATOM 20 C SER A 6 4.421 15.168 18.075 1.00 39.93 C ATOM 21 O SER A 6 4.549 16.110 17.291 1.00 34.50 O ATOM 22 CB SER A 6 6.275 13.541 18.095 1.00 34.11 C ATOM 23 OG SER A 6 6.854 12.425 17.456 1.00 34.05 O ATOM 24 N LEU A 7 3.943 15.313 19.311 1.00 33.27 N ATOM 25 CA LEU A 7 3.777 16.644 19.896 1.00 36.03 C ATOM 26 C LEU A 7 5.174 17.172 20.247 1.00 36.12 C ATOM 27 O LEU A 7 6.105 16.383 20.438 1.00 35.83 O ATOM 28 CB LEU A 7 2.876 16.601 21.134 1.00 33.50 C ATOM 29 CG LEU A 7 1.433 16.150 20.884 1.00 38.74 C ATOM 30 CD1 LEU A 7 0.603 16.215 22.160 1.00 41.18 C ATOM 31 CD2 LEU A 7 0.780 16.986 19.796 1.00 39.70 C ATOM 32 N LEU A 8 5.336 18.490 20.303 1.00 30.80 N ATOM 33 CA LEU A 8 6.668 19.047 20.525 1.00 35.23 C ATOM 34 C LEU A 8 7.239 18.659 21.887 1.00 33.38 C ATOM 35 O LEU A 8 8.450 18.519 22.037 1.00 32.36 O ATOM 36 CB LEU A 8 6.683 20.560 20.311 1.00 27.11 C ATOM 37 CG LEU A 8 6.748 20.895 18.820 1.00 31.27 C ATOM 38 CD1 LEU A 8 6.598 22.391 18.532 1.00 26.98 C ATOM 39 CD2 LEU A 8 8.057 20.361 18.231 1.00 32.00 C ATOM 40 N SER A 9 6.352 18.464 22.860 1.00 31.50 N ATOM 41 CA SER A 9 6.723 18.016 24.201 1.00 30.41 C ATOM 42 C SER A 9 7.311 16.615 24.164 1.00 34.43 C ATOM 43 O SER A 9 8.032 16.208 25.078 1.00 33.01 O ATOM 44 CB SER A 9 5.473 17.980 25.074 1.00 34.54 C ATOM 45 OG SER A 9 4.549 17.049 24.541 1.00 37.59 O ATOM 46 N GLN A 10 6.990 15.872 23.103 1.00 38.14 N ATOM 47 CA GLN A 10 7.397 14.469 23.000 1.00 39.36 C ATOM 48 C GLN A 10 8.732 14.269 22.271 1.00 38.84 C ATOM 49 O GLN A 10 9.297 13.182 22.317 1.00 38.38 O ATOM 50 CB GLN A 10 6.318 13.635 22.296 1.00 34.05 C ATOM 51 CG GLN A 10 4.976 13.566 23.001 1.00 38.95 C ATOM 52 CD GLN A 10 3.913 12.890 22.140 1.00 51.17 C ATOM 53 OE1 GLN A 10 4.115 12.678 20.941 1.00 49.41 O ATOM 54 NE2 GLN A 10 2.775 12.547 22.749 1.00 49.69 N ATOM 55 N ILE A 11 9.225 15.295 21.579 1.00 39.97 N ATOM 56 CA ILE A 11 10.475 15.132 20.839 1.00 38.77 C ATOM 57 C ILE A 11 11.685 15.175 21.759 1.00 40.06 C ATOM 58 O ILE A 11 11.639 15.757 22.838 1.00 37.63 O ATOM 59 CB ILE A 11 10.656 16.177 19.720 1.00 42.78 C ATOM 60 CG1 ILE A 11 10.741 17.586 20.302 1.00 45.13 C ATOM 61 CG2 ILE A 11 9.546 16.049 18.676 1.00 37.86 C ATOM 62 CD1 ILE A 11 11.614 18.533 19.493 1.00 43.98 C ATOM 63 N THR A 12 12.773 14.554 21.326 1.00 42.46 N ATOM 64 CA THR A 12 14.005 14.563 22.101 1.00 38.85 C ATOM 65 C THR A 12 15.182 14.780 21.156 1.00 38.73 C ATOM 66 O THR A 12 15.019 14.724 19.934 1.00 41.24 O ATOM 67 CB THR A 12 14.205 13.235 22.871 1.00 43.28 C ATOM 68 OG1 THR A 12 14.419 12.179 21.932 1.00 44.71 O ATOM 69 CG2 THR A 12 12.983 12.894 23.740 1.00 39.83 C ATOM 70 N PRO A 13 16.377 15.037 21.719 1.00 39.51 N ATOM 71 CA PRO A 13 17.559 15.298 20.889 1.00 34.75 C ATOM 72 C PRO A 13 17.961 14.087 20.065 1.00 36.47 C ATOM 73 O PRO A 13 17.676 12.952 20.444 1.00 36.41 O ATOM 74 CB PRO A 13 18.660 15.597 21.918 1.00 37.61 C ATOM 75 CG PRO A 13 17.952 15.936 23.174 1.00 41.35 C ATOM 76 CD PRO A 13 16.683 15.139 23.157 1.00 39.64 C ATOM 77 N HIS A 14 18.597 14.344 18.922 1.00 39.67 N ATOM 78 CA HIS A 14 19.288 13.306 18.164 1.00 36.85 C ATOM 79 C HIS A 14 18.341 12.243 17.646 1.00 39.97 C ATOM 80 O HIS A 14 18.642 11.050 17.673 1.00 38.20 O ATOM 81 CB HIS A 14 20.354 12.678 19.045 1.00 37.53 C ATOM 82 CG HIS A 14 21.090 13.678 19.871 1.00 39.40 C ATOM 83 ND1 HIS A 14 21.816 14.706 19.309 1.00 36.16 N ATOM 84 CD2 HIS A 14 21.193 13.826 21.213 1.00 35.86 C ATOM 85 CE1 HIS A 14 22.347 15.439 20.274 1.00 44.43 C ATOM 86 NE2 HIS A 14 21.987 14.924 21.436 1.00 40.86 N ATOM 87 N GLN A 15 17.192 12.692 17.172 1.00 36.75 N ATOM 88 CA GLN A 15 16.240 11.811 16.524 1.00 41.98 C ATOM 89 C GLN A 15 15.677 12.552 15.328 1.00 38.82 C ATOM 90 O GLN A 15 15.679 13.781 15.302 1.00 40.01 O ATOM 91 CB GLN A 15 15.105 11.475 17.479 1.00 40.48 C ATOM 92 CG GLN A 15 14.041 12.572 17.536 1.00 39.34 C ATOM 93 CD GLN A 15 13.137 12.416 18.735 1.00 43.81 C ATOM 94 OE1 GLN A 15 13.570 11.914 19.768 1.00 40.50 O ATOM 95 NE2 GLN A 15 11.884 12.847 18.617 1.00 47.03 N ATOM 96 N ARG A 16 15.222 11.818 14.325 1.00 31.22 N ATOM 97 CA ARG A 16 14.419 12.444 13.289 1.00 36.64 C ATOM 98 C ARG A 16 13.005 12.515 13.855 1.00 38.30 C ATOM 99 O ARG A 16 12.578 11.590 14.544 1.00 29.72 O ATOM 100 CB ARG A 16 14.459 11.649 11.969 1.00 44.01 C ATOM 101 CG ARG A 16 13.678 10.319 11.965 1.00 46.66 C ATOM 102 CD ARG A 16 13.489 9.765 10.531 1.00 52.12 C ATOM 103 NE ARG A 16 12.831 8.454 10.491 1.00 59.99 N ATOM 104 CZ ARG A 16 11.525 8.252 10.682 1.00 64.63 C ATOM 105 NH1 ARG A 16 10.723 9.274 10.951 1.00 55.58 N ATOM 106 NH2 ARG A 16 11.017 7.025 10.620 1.00 60.00 N ATOM 107 N CYS A 17 12.291 13.609 13.597 1.00 36.50 N ATOM 108 CA CYS A 17 10.895 13.711 14.026 1.00 37.86 C ATOM 109 C CYS A 17 10.057 14.448 12.998 1.00 34.94 C ATOM 110 O CYS A 17 10.585 14.983 12.029 1.00 36.66 O ATOM 111 CB CYS A 17 10.782 14.414 15.384 1.00 35.53 C ATOM 112 SG CYS A 17 11.520 16.089 15.466 1.00 40.63 S ATOM 113 N SER A 18 8.750 14.479 13.222 1.00 30.20 N ATOM 114 CA SER A 18 7.832 15.212 12.363 1.00 32.26 C ATOM 115 C SER A 18 6.785 15.864 13.248 1.00 34.07 C ATOM 116 O SER A 18 6.404 15.285 14.274 1.00 33.81 O ATOM 117 CB SER A 18 7.142 14.270 11.381 1.00 30.74 C ATOM 118 OG SER A 18 8.061 13.739 10.447 1.00 31.10 O ATOM 119 N PHE A 19 6.315 17.058 12.865 1.00 27.52 N ATOM 120 CA PHE A 19 5.296 17.732 13.674 1.00 33.09 C ATOM 121 C PHE A 19 4.547 18.856 12.960 1.00 33.40 C ATOM 122 O PHE A 19 5.016 19.401 11.957 1.00 31.98 O ATOM 123 CB PHE A 19 5.922 18.253 14.966 1.00 29.00 C ATOM 124 CG PHE A 19 7.088 19.176 14.746 1.00 29.83 C ATOM 125 CD1 PHE A 19 6.884 20.520 14.480 1.00 29.51 C ATOM 126 CD2 PHE A 19 8.387 18.693 14.797 1.00 25.21 C ATOM 127 CE1 PHE A 19 7.962 21.367 14.269 1.00 28.13 C ATOM 128 CE2 PHE A 19 9.471 19.535 14.599 1.00 25.23 C ATOM 129 CZ PHE A 19 9.260 20.866 14.338 1.00 29.91 C ATOM 130 N TYR A 20 3.364 19.172 13.470 1.00 27.19 N ATOM 131 CA TYR A 20 2.635 20.354 13.043 1.00 30.25 C ATOM 132 C TYR A 20 3.009 21.466 14.010 1.00 27.37 C ATOM 133 O TYR A 20 3.241 21.202 15.194 1.00 26.63 O ATOM 134 CB TYR A 20 1.117 20.102 13.086 1.00 33.46 C ATOM 135 CG TYR A 20 0.632 19.152 12.005 1.00 31.25 C ATOM 136 CD1 TYR A 20 0.321 19.621 10.739 1.00 30.70 C ATOM 137 CD2 TYR A 20 0.519 17.794 12.248 1.00 35.93 C ATOM 138 CE1 TYR A 20 -0.107 18.757 9.740 1.00 38.07 C ATOM 139 CE2 TYR A 20 0.098 16.920 11.263 1.00 34.96 C ATOM 140 CZ TYR A 20 -0.211 17.408 10.009 1.00 39.59 C ATOM 141 OH TYR A 20 -0.638 16.545 9.025 1.00 46.99 O ATOM 142 N ALA A 21 3.057 22.705 13.539 1.00 24.32 N ATOM 143 CA ALA A 21 3.328 23.805 14.460 1.00 28.44 C ATOM 144 C ALA A 21 2.870 25.152 13.929 1.00 26.79 C ATOM 145 O ALA A 21 2.695 25.329 12.719 1.00 32.56 O ATOM 146 CB ALA A 21 4.847 23.848 14.837 1.00 21.94 C ATOM 147 N GLN A 22 2.670 26.106 14.832 1.00 21.17 N ATOM 148 CA GLN A 22 2.410 27.476 14.409 1.00 22.93 C ATOM 149 C GLN A 22 3.689 28.307 14.493 1.00 27.27 C ATOM 150 O GLN A 22 4.476 28.160 15.432 1.00 24.78 O ATOM 151 CB GLN A 22 1.294 28.144 15.222 1.00 25.47 C ATOM 152 CG GLN A 22 0.856 29.472 14.596 1.00 30.67 C ATOM 153 CD GLN A 22 -0.301 30.159 15.325 1.00 31.07 C ATOM 154 OE1 GLN A 22 -0.541 29.924 16.505 1.00 31.06 O ATOM 155 NE2 GLN A 22 -1.022 31.021 14.603 1.00 31.64 N ATOM 156 N VAL A 23 3.880 29.184 13.515 1.00 18.28 N ATOM 157 CA VAL A 23 5.093 29.982 13.432 1.00 27.41 C ATOM 158 C VAL A 23 4.915 31.275 14.188 1.00 26.07 C ATOM 159 O VAL A 23 4.121 32.128 13.787 1.00 27.82 O ATOM 160 CB VAL A 23 5.473 30.308 11.970 1.00 28.37 C ATOM 161 CG1 VAL A 23 6.648 31.273 11.940 1.00 27.76 C ATOM 162 CG2 VAL A 23 5.811 29.052 11.228 1.00 22.44 C ATOM 163 N ILE A 24 5.670 31.410 15.273 1.00 28.56 N ATOM 164 CA ILE A 24 5.598 32.572 16.156 1.00 27.77 C ATOM 165 C ILE A 24 6.468 33.722 15.660 1.00 31.77 C ATOM 166 O ILE A 24 6.046 34.869 15.617 1.00 26.04 O ATOM 167 CB ILE A 24 6.026 32.188 17.601 1.00 29.06 C ATOM 168 CG1 ILE A 24 5.039 31.184 18.188 1.00 27.93 C ATOM 169 CG2 ILE A 24 6.075 33.415 18.487 1.00 30.65 C ATOM 170 CD1 ILE A 24 3.600 31.697 18.220 1.00 29.40 C ATOM 171 N LYS A 25 7.690 33.399 15.262 1.00 30.06 N ATOM 172 CA LYS A 25 8.645 34.422 14.893 1.00 24.64 C ATOM 173 C LYS A 25 9.494 33.936 13.721 1.00 28.23 C ATOM 174 O LYS A 25 9.810 32.759 13.640 1.00 23.92 O ATOM 175 CB LYS A 25 9.535 34.760 16.096 1.00 29.34 C ATOM 176 CG LYS A 25 10.623 35.803 15.792 1.00 35.71 C ATOM 177 CD LYS A 25 11.442 36.134 17.030 1.00 30.95 C ATOM 178 CE LYS A 25 12.679 36.962 16.687 1.00 29.67 C ATOM 179 NZ LYS A 25 12.372 38.373 16.310 1.00 36.35 N ATOM 180 N THR A 26 9.846 34.836 12.812 1.00 28.19 N ATOM 181 CA THR A 26 10.827 34.513 11.784 1.00 28.72 C ATOM 182 C THR A 26 11.979 35.507 11.815 1.00 27.56 C ATOM 183 O THR A 26 11.839 36.616 12.321 1.00 29.26 O ATOM 184 CB THR A 26 10.215 34.489 10.364 1.00 32.60 C ATOM 185 OG1 THR A 26 9.677 35.777 10.054 1.00 28.73 O ATOM 186 CG2 THR A 26 9.113 33.453 10.275 1.00 32.63 C ATOM 187 N TRP A 27 13.122 35.088 11.287 1.00 28.79 N ATOM 188 CA TRP A 27 14.244 36.001 11.082 1.00 33.28 C ATOM 189 C TRP A 27 15.165 35.558 9.938 1.00 32.41 C ATOM 190 O TRP A 27 15.747 34.474 9.980 1.00 29.41 O ATOM 191 CB TRP A 27 15.044 36.159 12.365 1.00 25.95 C ATOM 192 CG TRP A 27 16.196 37.097 12.218 1.00 33.79 C ATOM 193 CD1 TRP A 27 17.496 36.769 11.928 1.00 32.70 C ATOM 194 CD2 TRP A 27 16.160 38.526 12.344 1.00 34.64 C ATOM 195 NE1 TRP A 27 18.270 37.909 11.880 1.00 36.61 N ATOM 196 CE2 TRP A 27 17.473 38.998 12.127 1.00 36.32 C ATOM 197 CE3 TRP A 27 15.146 39.453 12.614 1.00 36.37 C ATOM 198 CZ2 TRP A 27 17.793 40.349 12.173 1.00 37.56 C ATOM 199 CZ3 TRP A 27 15.472 40.794 12.666 1.00 37.88 C ATOM 200 CH2 TRP A 27 16.781 41.228 12.447 1.00 39.43 C ATOM 201 N TYR A 28 15.291 36.395 8.910 1.00 31.82 N ATOM 202 CA TYR A 28 16.207 36.081 7.812 1.00 32.20 C ATOM 203 C TYR A 28 17.565 36.741 8.008 1.00 34.44 C ATOM 204 O TYR A 28 17.654 37.841 8.552 1.00 31.47 O ATOM 205 CB TYR A 28 15.617 36.476 6.456 1.00 29.87 C ATOM 206 CG TYR A 28 15.284 37.945 6.279 1.00 32.44 C ATOM 207 CD1 TYR A 28 16.240 38.851 5.844 1.00 32.06 C ATOM 208 CD2 TYR A 28 13.994 38.414 6.508 1.00 35.94 C ATOM 209 CE1 TYR A 28 15.933 40.185 5.672 1.00 35.12 C ATOM 210 CE2 TYR A 28 13.675 39.737 6.331 1.00 32.59 C ATOM 211 CZ TYR A 28 14.648 40.623 5.923 1.00 39.05 C ATOM 212 OH TYR A 28 14.324 41.952 5.755 1.00 45.62 O ATOM 213 N SER A 29 18.617 36.059 7.573 1.00 34.09 N ATOM 214 CA SER A 29 19.948 36.669 7.502 1.00 37.36 C ATOM 215 C SER A 29 20.667 36.192 6.257 1.00 36.55 C ATOM 216 O SER A 29 20.191 35.296 5.572 1.00 30.46 O ATOM 217 CB SER A 29 20.793 36.276 8.709 1.00 37.78 C ATOM 218 OG SER A 29 21.114 34.890 8.651 1.00 35.32 O ATOM 219 N ASP A 30 21.840 36.765 5.995 1.00 37.98 N ATOM 220 CA ASP A 30 22.682 36.331 4.882 1.00 41.37 C ATOM 221 C ASP A 30 23.194 34.903 5.044 1.00 38.30 C ATOM 222 O ASP A 30 23.817 34.356 4.139 1.00 39.66 O ATOM 223 CB ASP A 30 23.875 37.273 4.729 1.00 48.49 C ATOM 224 CG ASP A 30 24.847 37.183 5.899 1.00 50.79 C ATOM 225 OD1 ASP A 30 24.420 36.791 7.003 1.00 55.28 O ATOM 226 OD2 ASP A 30 26.044 37.498 5.713 1.00 58.22 O ATOM 227 N LYS A 31 22.933 34.296 6.196 1.00 37.90 N ATOM 228 CA LYS A 31 23.462 32.969 6.501 1.00 38.47 C ATOM 229 C LYS A 31 22.423 31.869 6.349 1.00 38.72 C ATOM 230 O LYS A 31 22.704 30.792 5.819 1.00 36.35 O ATOM 231 CB LYS A 31 23.996 32.934 7.934 1.00 44.85 C ATOM 232 CG LYS A 31 25.334 33.623 8.114 1.00 51.14 C ATOM 233 CD LYS A 31 26.347 33.054 7.143 1.00 50.70 C ATOM 234 CE LYS A 31 27.740 33.588 7.415 1.00 56.21 C ATOM 235 NZ LYS A 31 28.652 33.350 6.255 1.00 60.64 N ATOM 236 N ASN A 32 21.221 32.145 6.829 1.00 30.47 N ATOM 237 CA ASN A 32 20.205 31.123 6.948 1.00 28.02 C ATOM 238 C ASN A 32 18.878 31.760 7.317 1.00 30.15 C ATOM 239 O ASN A 32 18.796 32.960 7.515 1.00 28.37 O ATOM 240 CB ASN A 32 20.603 30.107 8.015 1.00 32.94 C ATOM 241 CG ASN A 32 20.920 30.759 9.353 1.00 38.59 C ATOM 242 OD1 ASN A 32 20.189 31.632 9.829 1.00 37.69 O ATOM 243 ND2 ASN A 32 22.026 30.345 9.959 1.00 32.08 N ATOM 244 N PHE A 33 17.836 30.949 7.382 1.00 30.62 N ATOM 245 CA PHE A 33 16.509 31.438 7.724 1.00 26.10 C ATOM 246 C PHE A 33 16.057 30.771 9.021 1.00 25.97 C ATOM 247 O PHE A 33 16.099 29.567 9.141 1.00 26.46 O ATOM 248 CB PHE A 33 15.530 31.117 6.601 1.00 26.01 C ATOM 249 CG PHE A 33 14.144 31.642 6.832 1.00 23.28 C ATOM 250 CD1 PHE A 33 13.920 33.007 6.946 1.00 25.12 C ATOM 251 CD2 PHE A 33 13.073 30.777 6.923 1.00 26.12 C ATOM 252 CE1 PHE A 33 12.639 33.499 7.160 1.00 29.11 C ATOM 253 CE2 PHE A 33 11.791 31.260 7.127 1.00 29.50 C ATOM 254 CZ PHE A 33 11.573 32.617 7.253 1.00 25.54 C ATOM 255 N THR A 34 15.626 31.554 9.998 1.00 27.72 N ATOM 256 CA THR A 34 15.265 30.979 11.291 1.00 23.03 C ATOM 257 C THR A 34 13.757 31.092 11.571 1.00 26.29 C ATOM 258 O THR A 34 13.139 32.096 11.231 1.00 29.36 O ATOM 259 CB THR A 34 16.073 31.647 12.412 1.00 30.84 C ATOM 260 OG1 THR A 34 17.473 31.369 12.227 1.00 29.62 O ATOM 261 CG2 THR A 34 15.638 31.127 13.767 1.00 23.73 C ATOM 262 N LEU A 35 13.180 30.052 12.172 1.00 21.47 N ATOM 263 CA LEU A 35 11.772 30.046 12.602 1.00 20.14 C ATOM 264 C LEU A 35 11.717 29.726 14.098 1.00 26.31 C ATOM 265 O LEU A 35 12.498 28.901 14.577 1.00 32.60 O ATOM 266 CB LEU A 35 10.997 28.922 11.894 1.00 23.96 C ATOM 267 CG LEU A 35 11.153 28.728 10.396 1.00 24.84 C ATOM 268 CD1 LEU A 35 10.416 27.481 9.944 1.00 27.42 C ATOM 269 CD2 LEU A 35 10.642 29.958 9.674 1.00 26.99 C ATOM 270 N TYR A 36 10.813 30.366 14.839 1.00 19.93 N ATOM 271 CA TYR A 36 10.487 29.882 16.166 1.00 25.00 C ATOM 272 C TYR A 36 9.045 29.438 16.029 1.00 27.29 C ATOM 273 O TYR A 36 8.214 30.210 15.551 1.00 22.57 O ATOM 274 CB TYR A 36 10.599 30.992 17.216 1.00 19.35 C ATOM 275 CG TYR A 36 11.994 31.571 17.337 1.00 24.02 C ATOM 276 CD1 TYR A 36 12.508 32.391 16.339 1.00 22.72 C ATOM 277 CD2 TYR A 36 12.793 31.306 18.440 1.00 27.47 C ATOM 278 CE1 TYR A 36 13.786 32.922 16.429 1.00 24.85 C ATOM 279 CE2 TYR A 36 14.072 31.838 18.536 1.00 28.90 C ATOM 280 CZ TYR A 36 14.551 32.658 17.526 1.00 28.77 C ATOM 281 OH TYR A 36 15.815 33.204 17.604 1.00 35.57 O ATOM 282 N VAL A 37 8.759 28.202 16.431 1.00 25.12 N ATOM 283 CA VAL A 37 7.439 27.630 16.226 1.00 22.41 C ATOM 284 C VAL A 37 7.007 26.929 17.493 1.00 31.03 C ATOM 285 O VAL A 37 7.851 26.520 18.290 1.00 27.85 O ATOM 286 CB VAL A 37 7.428 26.624 15.052 1.00 22.96 C ATOM 287 CG1 VAL A 37 8.138 27.220 13.814 1.00 24.17 C ATOM 288 CG2 VAL A 37 8.057 25.316 15.455 1.00 27.48 C ATOM 289 N THR A 38 5.690 26.804 17.676 1.00 29.98 N ATOM 290 CA THR A 38 5.131 26.179 18.866 1.00 24.02 C ATOM 291 C THR A 38 3.924 25.345 18.479 1.00 25.87 C ATOM 292 O THR A 38 3.268 25.581 17.459 1.00 25.78 O ATOM 293 CB THR A 38 4.692 27.233 19.930 1.00 27.69 C ATOM 294 OG1 THR A 38 4.257 26.568 21.137 1.00 27.22 O ATOM 295 CG2 THR A 38 3.568 28.109 19.384 1.00 26.40 C ATOM 296 N ASP A 39 3.644 24.331 19.273 1.00 28.08 N ATOM 297 CA ASP A 39 2.362 23.674 19.152 1.00 30.40 C ATOM 298 C ASP A 39 1.667 23.746 20.495 1.00 31.38 C ATOM 299 O ASP A 39 0.818 22.922 20.804 1.00 31.95 O ATOM 300 CB ASP A 39 2.524 22.241 18.675 1.00 31.82 C ATOM 301 CG ASP A 39 3.130 21.346 19.734 1.00 32.10 C ATOM 302 OD1 ASP A 39 3.556 21.868 20.802 1.00 30.04 O ATOM 303 OD2 ASP A 39 3.204 20.126 19.473 1.00 35.23 O ATOM 304 N TYR A 40 2.067 24.733 21.289 1.00 30.65 N ATOM 305 CA TYR A 40 1.525 24.970 22.637 1.00 32.80 C ATOM 306 C TYR A 40 1.615 23.766 23.584 1.00 31.37 C ATOM 307 O TYR A 40 0.761 23.555 24.456 1.00 30.48 O ATOM 308 CB TYR A 40 0.123 25.604 22.575 1.00 27.54 C ATOM 309 CG TYR A 40 0.173 27.020 22.009 1.00 30.11 C ATOM 310 CD1 TYR A 40 0.383 28.118 22.838 1.00 34.53 C ATOM 311 CD2 TYR A 40 0.059 27.249 20.639 1.00 31.51 C ATOM 312 CE1 TYR A 40 0.449 29.414 22.319 1.00 33.64 C ATOM 313 CE2 TYR A 40 0.122 28.534 20.114 1.00 36.64 C ATOM 314 CZ TYR A 40 0.312 29.612 20.955 1.00 38.99 C ATOM 315 OH TYR A 40 0.379 30.883 20.421 1.00 44.79 O ATOM 316 N THR A 41 2.670 22.985 23.395 1.00 31.29 N ATOM 317 CA THR A 41 3.070 21.977 24.364 1.00 30.66 C ATOM 318 C THR A 41 4.492 22.299 24.780 1.00 33.55 C ATOM 319 O THR A 41 5.242 22.943 24.029 1.00 29.38 O ATOM 320 CB THR A 41 3.018 20.529 23.815 1.00 35.87 C ATOM 321 OG1 THR A 41 3.962 20.379 22.743 1.00 31.67 O ATOM 322 CG2 THR A 41 1.616 20.189 23.325 1.00 36.48 C ATOM 323 N GLU A 42 4.848 21.830 25.970 1.00 28.01 N ATOM 324 CA GLU A 42 6.053 22.248 26.675 1.00 33.18 C ATOM 325 C GLU A 42 7.118 21.159 26.650 1.00 32.66 C ATOM 326 O GLU A 42 6.830 19.972 26.820 1.00 30.74 O ATOM 327 CB GLU A 42 5.684 22.577 28.132 1.00 30.32 C ATOM 328 CG GLU A 42 6.818 23.022 29.041 1.00 34.94 C ATOM 329 CD GLU A 42 6.304 23.418 30.423 1.00 38.44 C ATOM 330 OE1 GLU A 42 5.112 23.157 30.691 1.00 40.96 O ATOM 331 OE2 GLU A 42 7.072 24.006 31.222 1.00 34.76 O ATOM 332 N ASN A 43 8.356 21.566 26.421 1.00 35.02 N ATOM 333 CA ASN A 43 9.458 20.625 26.417 1.00 32.99 C ATOM 334 C ASN A 43 10.539 21.190 27.325 1.00 32.97 C ATOM 335 O ASN A 43 10.980 22.328 27.145 1.00 32.31 O ATOM 336 CB ASN A 43 9.986 20.419 25.001 1.00 29.68 C ATOM 337 CG ASN A 43 11.015 19.305 24.910 1.00 31.03 C ATOM 338 OD1 ASN A 43 12.092 19.391 25.488 1.00 31.96 O ATOM 339 ND2 ASN A 43 10.697 18.266 24.149 1.00 30.40 N ATOM 340 N GLU A 44 10.932 20.392 28.311 1.00 32.40 N ATOM 341 CA GLU A 44 11.923 20.790 29.290 1.00 34.54 C ATOM 342 C GLU A 44 13.244 21.217 28.670 1.00 34.63 C ATOM 343 O GLU A 44 14.075 21.809 29.340 1.00 34.90 O ATOM 344 CB GLU A 44 12.153 19.654 30.297 1.00 43.32 C ATOM 345 CG GLU A 44 11.166 19.643 31.467 1.00 51.23 C ATOM 346 CD GLU A 44 11.609 18.721 32.600 1.00 48.30 C ATOM 347 OE1 GLU A 44 12.483 17.847 32.371 1.00 45.20 O ATOM 348 OE2 GLU A 44 11.090 18.872 33.724 1.00 43.93 O ATOM 349 N LEU A 45 13.444 20.937 27.387 1.00 33.40 N ATOM 350 CA LEU A 45 14.708 21.305 26.746 1.00 31.86 C ATOM 351 C LEU A 45 14.625 22.617 25.958 1.00 29.35 C ATOM 352 O LEU A 45 15.648 23.158 25.543 1.00 24.99 O ATOM 353 CB LEU A 45 15.202 20.168 25.848 1.00 36.52 C ATOM 354 CG LEU A 45 15.583 18.853 26.533 1.00 38.75 C ATOM 355 CD1 LEU A 45 15.990 17.832 25.500 1.00 40.53 C ATOM 356 CD2 LEU A 45 16.704 19.059 27.532 1.00 35.18 C ATOM 357 N PHE A 46 13.407 23.122 25.746 1.00 26.48 N ATOM 358 CA PHE A 46 13.216 24.395 25.045 1.00 26.82 C ATOM 359 C PHE A 46 13.696 25.604 25.872 1.00 31.22 C ATOM 360 O PHE A 46 13.725 25.568 27.112 1.00 30.34 O ATOM 361 CB PHE A 46 11.739 24.595 24.649 1.00 29.61 C ATOM 362 CG PHE A 46 11.234 23.609 23.616 1.00 28.50 C ATOM 363 CD1 PHE A 46 12.092 22.704 23.020 1.00 23.23 C ATOM 364 CD2 PHE A 46 9.903 23.613 23.234 1.00 27.16 C ATOM 365 CE1 PHE A 46 11.631 21.805 22.081 1.00 28.00 C ATOM 366 CE2 PHE A 46 9.425 22.724 22.295 1.00 25.72 C ATOM 367 CZ PHE A 46 10.289 21.810 21.714 1.00 29.79 C ATOM 368 N PHE A 47 14.075 26.678 25.189 1.00 34.39 N ATOM 369 CA PHE A 47 14.500 27.892 25.891 1.00 35.64 C ATOM 370 C PHE A 47 13.324 28.535 26.620 1.00 31.78 C ATOM 371 O PHE A 47 12.242 28.676 26.041 1.00 28.93 O ATOM 372 CB PHE A 47 15.080 28.897 24.904 1.00 33.48 C ATOM 373 CG PHE A 47 15.569 30.163 25.545 1.00 36.02 C ATOM 374 CD1 PHE A 47 14.719 31.260 25.688 1.00 34.79 C ATOM 375 CD2 PHE A 47 16.883 30.264 26.001 1.00 30.12 C ATOM 376 CE1 PHE A 47 15.168 32.431 26.266 1.00 34.17 C ATOM 377 CE2 PHE A 47 17.337 31.433 26.585 1.00 36.91 C ATOM 378 CZ PHE A 47 16.482 32.519 26.716 1.00 35.65 C ATOM 379 N PRO A 48 13.520 28.935 27.888 1.00 26.23 N ATOM 380 CA PRO A 48 12.386 29.564 28.578 1.00 29.93 C ATOM 381 C PRO A 48 12.261 31.033 28.177 1.00 26.06 C ATOM 382 O PRO A 48 13.106 31.858 28.525 1.00 27.95 O ATOM 383 CB PRO A 48 12.747 29.418 30.064 1.00 23.26 C ATOM 384 CG PRO A 48 14.273 29.369 30.094 1.00 28.94 C ATOM 385 CD PRO A 48 14.747 28.911 28.705 1.00 33.48 C ATOM 386 N MET A 49 11.219 31.360 27.423 1.00 25.81 N ATOM 387 CA MET A 49 11.047 32.739 26.980 1.00 30.79 C ATOM 388 C MET A 49 10.511 33.589 28.125 1.00 25.53 C ATOM 389 O MET A 49 9.497 33.257 28.743 1.00 25.90 O ATOM 390 CB MET A 49 10.109 32.838 25.765 1.00 25.90 C ATOM 391 CG MET A 49 10.673 32.288 24.476 1.00 29.90 C ATOM 392 SD MET A 49 12.058 33.260 23.842 1.00 34.39 S ATOM 393 CE MET A 49 11.343 34.894 23.894 1.00 35.80 C ATOM 394 N SER A 50 11.192 34.697 28.372 1.00 27.23 N ATOM 395 CA SER A 50 10.848 35.601 29.453 1.00 30.60 C ATOM 396 C SER A 50 9.775 36.618 29.059 1.00 30.41 C ATOM 397 O SER A 50 9.888 37.282 28.040 1.00 30.04 O ATOM 398 CB SER A 50 12.095 36.358 29.901 1.00 26.76 C ATOM 399 OG SER A 50 11.727 37.365 30.811 1.00 31.30 O ATOM 400 N PRO A 51 8.744 36.762 29.892 1.00 31.51 N ATOM 401 CA PRO A 51 7.769 37.822 29.661 1.00 33.13 C ATOM 402 C PRO A 51 8.277 39.197 30.106 1.00 34.15 C ATOM 403 O PRO A 51 7.572 40.179 29.878 1.00 36.57 O ATOM 404 CB PRO A 51 6.580 37.395 30.525 1.00 35.67 C ATOM 405 CG PRO A 51 7.176 36.560 31.608 1.00 29.01 C ATOM 406 CD PRO A 51 8.373 35.879 31.015 1.00 29.62 C ATOM 407 N TYR A 52 9.470 39.271 30.694 1.00 30.27 N ATOM 408 CA TYR A 52 9.941 40.513 31.337 1.00 34.74 C ATOM 409 C TYR A 52 10.870 41.364 30.480 1.00 37.87 C ATOM 410 O TYR A 52 11.313 42.436 30.885 1.00 40.49 O ATOM 411 CB TYR A 52 10.640 40.189 32.654 1.00 29.83 C ATOM 412 CG TYR A 52 9.846 39.214 33.478 1.00 30.70 C ATOM 413 CD1 TYR A 52 8.495 39.439 33.730 1.00 34.61 C ATOM 414 CD2 TYR A 52 10.427 38.058 33.977 1.00 27.15 C ATOM 415 CE1 TYR A 52 7.745 38.544 34.473 1.00 33.61 C ATOM 416 CE2 TYR A 52 9.690 37.153 34.720 1.00 27.76 C ATOM 417 CZ TYR A 52 8.347 37.396 34.958 1.00 30.47 C ATOM 418 OH TYR A 52 7.608 36.513 35.700 1.00 28.68 O ATOM 419 N THR A 53 11.172 40.880 29.295 1.00 41.93 N ATOM 420 CA THR A 53 12.086 41.594 28.434 1.00 45.35 C ATOM 421 C THR A 53 11.524 42.963 28.068 1.00 47.06 C ATOM 422 O THR A 53 10.436 43.071 27.508 1.00 49.65 O ATOM 423 CB THR A 53 12.383 40.775 27.185 1.00 40.93 C ATOM 424 OG1 THR A 53 12.723 39.440 27.581 1.00 36.29 O ATOM 425 CG2 THR A 53 13.535 41.393 26.401 1.00 44.18 C ATOM 426 N SER A 54 12.262 44.007 28.432 1.00 49.97 N ATOM 427 CA SER A 54 11.972 45.355 27.961 1.00 53.03 C ATOM 428 C SER A 54 12.331 45.420 26.481 1.00 55.27 C ATOM 429 O SER A 54 13.492 45.228 26.101 1.00 53.79 O ATOM 430 CB SER A 54 12.783 46.390 28.747 1.00 54.93 C ATOM 431 OG SER A 54 14.180 46.198 28.572 1.00 56.86 O ATOM 432 N SER A 55 11.328 45.678 25.653 1.00 50.82 N ATOM 433 CA SER A 55 11.502 45.702 24.204 1.00 50.25 C ATOM 434 C SER A 55 11.610 44.305 23.627 1.00 45.32 C ATOM 435 O SER A 55 12.698 43.723 23.548 1.00 42.99 O ATOM 436 CB SER A 55 12.708 46.539 23.777 1.00 51.58 C ATOM 437 OG SER A 55 12.837 46.533 22.363 1.00 49.58 O ATOM 438 N SER A 56 10.456 43.779 23.236 1.00 41.46 N ATOM 439 CA SER A 56 10.367 42.539 22.492 1.00 40.86 C ATOM 440 C SER A 56 9.011 42.464 21.809 1.00 43.12 C ATOM 441 O SER A 56 7.995 42.830 22.399 1.00 36.34 O ATOM 442 CB SER A 56 10.582 41.344 23.412 1.00 42.56 C ATOM 443 OG SER A 56 10.244 40.136 22.769 1.00 39.56 O ATOM 444 N ARG A 57 9.002 41.999 20.560 1.00 44.02 N ATOM 445 CA ARG A 57 7.752 41.830 19.819 1.00 41.95 C ATOM 446 C ARG A 57 7.245 40.389 19.858 1.00 40.34 C ATOM 447 O ARG A 57 6.342 40.022 19.098 1.00 45.07 O ATOM 448 CB ARG A 57 7.902 42.295 18.365 1.00 40.57 C ATOM 449 CG ARG A 57 8.421 43.718 18.221 1.00 46.42 C ATOM 450 CD ARG A 57 7.985 44.370 16.903 1.00 52.53 C ATOM 451 NE ARG A 57 8.060 43.466 15.754 1.00 57.66 N ATOM 452 CZ ARG A 57 8.088 43.880 14.486 1.00 56.94 C ATOM 453 NH1 ARG A 57 8.061 45.181 14.213 1.00 59.64 N ATOM 454 NH2 ARG A 57 8.153 42.999 13.493 1.00 46.80 N ATOM 455 N TRP A 58 7.817 39.570 20.739 1.00 37.70 N ATOM 456 CA TRP A 58 7.391 38.177 20.864 1.00 35.80 C ATOM 457 C TRP A 58 5.861 38.021 20.982 1.00 39.01 C ATOM 458 O TRP A 58 5.260 38.384 22.001 1.00 37.72 O ATOM 459 CB TRP A 58 8.108 37.514 22.047 1.00 36.69 C ATOM 460 CG TRP A 58 7.854 36.015 22.202 1.00 33.51 C ATOM 461 CD1 TRP A 58 7.115 35.408 23.174 1.00 35.32 C ATOM 462 CD2 TRP A 58 8.380 34.958 21.382 1.00 33.59 C ATOM 463 NE1 TRP A 58 7.139 34.050 23.003 1.00 30.69 N ATOM 464 CE2 TRP A 58 7.916 33.746 21.914 1.00 27.77 C ATOM 465 CE3 TRP A 58 9.198 34.925 20.248 1.00 33.30 C ATOM 466 CZ2 TRP A 58 8.230 32.500 21.342 1.00 34.61 C ATOM 467 CZ3 TRP A 58 9.512 33.700 19.674 1.00 32.75 C ATOM 468 CH2 TRP A 58 9.026 32.497 20.221 1.00 31.02 C ATOM 469 N ARG A 59 5.249 37.470 19.930 1.00 40.23 N ATOM 470 CA ARG A 59 3.806 37.209 19.901 1.00 40.44 C ATOM 471 C ARG A 59 3.469 35.802 20.403 1.00 46.71 C ATOM 472 O ARG A 59 2.390 35.284 20.110 1.00 43.57 O ATOM 473 CB ARG A 59 3.252 37.339 18.481 1.00 50.67 C ATOM 474 CG ARG A 59 3.855 38.447 17.647 1.00 57.98 C ATOM 475 CD ARG A 59 3.338 39.808 18.059 1.00 58.99 C ATOM 476 NE ARG A 59 3.516 40.765 16.973 1.00 63.37 N ATOM 477 CZ ARG A 59 2.552 41.550 16.499 1.00 72.26 C ATOM 478 NH1 ARG A 59 1.332 41.509 17.029 1.00 67.14 N ATOM 479 NH2 ARG A 59 2.814 42.381 15.496 1.00 75.55 N ATOM 480 N GLY A 60 4.385 35.183 21.144 1.00 37.27 N ATOM 481 CA GLY A 60 4.257 33.773 21.468 1.00 32.19 C ATOM 482 C GLY A 60 4.119 33.490 22.944 1.00 29.96 C ATOM 483 O GLY A 60 4.093 34.408 23.737 1.00 33.27 O ATOM 484 N PRO A 61 4.031 32.204 23.311 1.00 29.01 N ATOM 485 CA PRO A 61 3.894 31.804 24.710 1.00 27.97 C ATOM 486 C PRO A 61 5.226 31.954 25.424 1.00 33.36 C ATOM 487 O PRO A 61 6.291 31.962 24.788 1.00 28.13 O ATOM 488 CB PRO A 61 3.503 30.328 24.616 1.00 33.50 C ATOM 489 CG PRO A 61 4.113 29.862 23.294 1.00 25.99 C ATOM 490 CD PRO A 61 4.066 31.052 22.390 1.00 25.94 C ATOM 491 N PHE A 62 5.159 32.053 26.744 1.00 31.18 N ATOM 492 CA PHE A 62 6.336 32.255 27.558 1.00 29.65 C ATOM 493 C PHE A 62 6.699 30.961 28.242 1.00 27.24 C ATOM 494 O PHE A 62 5.874 30.057 28.360 1.00 27.79 O ATOM 495 CB PHE A 62 6.083 33.375 28.560 1.00 30.77 C ATOM 496 CG PHE A 62 5.694 34.668 27.904 1.00 31.21 C ATOM 497 CD1 PHE A 62 6.659 35.469 27.306 1.00 31.78 C ATOM 498 CD2 PHE A 62 4.360 35.065 27.850 1.00 32.31 C ATOM 499 CE1 PHE A 62 6.311 36.650 26.685 1.00 33.30 C ATOM 500 CE2 PHE A 62 3.999 36.258 27.227 1.00 35.88 C ATOM 501 CZ PHE A 62 4.973 37.050 26.646 1.00 33.16 C ATOM 502 N GLY A 63 7.950 30.860 28.664 1.00 23.88 N ATOM 503 CA GLY A 63 8.468 29.586 29.096 1.00 23.42 C ATOM 504 C GLY A 63 8.924 28.716 27.944 1.00 27.36 C ATOM 505 O GLY A 63 9.157 29.199 26.825 1.00 25.81 O ATOM 506 N ARG A 64 9.052 27.424 28.222 1.00 25.03 N ATOM 507 CA ARG A 64 9.712 26.494 27.311 1.00 31.55 C ATOM 508 C ARG A 64 8.705 25.886 26.352 1.00 27.96 C ATOM 509 O ARG A 64 8.454 24.683 26.389 1.00 27.29 O ATOM 510 CB ARG A 64 10.410 25.381 28.101 1.00 34.45 C ATOM 511 CG ARG A 64 11.435 25.853 29.137 1.00 26.54 C ATOM 512 CD ARG A 64 12.188 24.653 29.703 1.00 30.90 C ATOM 513 NE ARG A 64 13.109 24.997 30.783 1.00 33.77 N ATOM 514 CZ ARG A 64 14.419 25.142 30.625 1.00 33.52 C ATOM 515 NH1 ARG A 64 14.964 24.978 29.430 1.00 32.31 N ATOM 516 NH2 ARG A 64 15.188 25.449 31.658 1.00 37.21 N ATOM 517 N PHE A 65 8.136 26.716 25.486 1.00 23.70 N ATOM 518 CA PHE A 65 6.998 26.288 24.681 1.00 25.53 C ATOM 519 C PHE A 65 7.268 26.437 23.206 1.00 30.13 C ATOM 520 O PHE A 65 6.368 26.268 22.377 1.00 23.63 O ATOM 521 CB PHE A 65 5.767 27.116 25.031 1.00 25.39 C ATOM 522 CG PHE A 65 4.994 26.584 26.186 1.00 30.72 C ATOM 523 CD1 PHE A 65 5.392 26.857 27.495 1.00 32.00 C ATOM 524 CD2 PHE A 65 3.852 25.811 25.972 1.00 35.79 C ATOM 525 CE1 PHE A 65 4.666 26.369 28.568 1.00 31.51 C ATOM 526 CE2 PHE A 65 3.126 25.308 27.045 1.00 35.98 C ATOM 527 CZ PHE A 65 3.532 25.592 28.345 1.00 33.27 C ATOM 528 N SER A 66 8.512 26.765 22.880 1.00 26.79 N ATOM 529 CA SER A 66 8.859 27.091 21.521 1.00 21.51 C ATOM 530 C SER A 66 10.237 26.573 21.163 1.00 29.69 C ATOM 531 O SER A 66 11.166 26.624 21.973 1.00 21.17 O ATOM 532 CB SER A 66 8.790 28.611 21.307 1.00 22.09 C ATOM 533 OG SER A 66 7.449 29.070 21.420 1.00 33.15 O ATOM 534 N ILE A 67 10.366 26.092 19.928 1.00 26.56 N ATOM 535 CA ILE A 67 11.646 25.586 19.465 1.00 26.18 C ATOM 536 C ILE A 67 12.176 26.361 18.255 1.00 30.98 C ATOM 537 O ILE A 67 11.433 26.688 17.305 1.00 23.73 O ATOM 538 CB ILE A 67 11.595 24.067 19.188 1.00 28.11 C ATOM 539 CG1 ILE A 67 12.962 23.571 18.711 1.00 24.77 C ATOM 540 CG2 ILE A 67 10.504 23.727 18.173 1.00 31.45 C ATOM 541 CD1 ILE A 67 12.960 22.144 18.308 1.00 25.55 C ATOM 542 N ARG A 68 13.466 26.681 18.308 1.00 27.62 N ATOM 543 CA ARG A 68 14.131 27.322 17.181 1.00 19.61 C ATOM 544 C ARG A 68 14.450 26.278 16.079 1.00 25.63 C ATOM 545 O ARG A 68 14.827 25.147 16.365 1.00 22.17 O ATOM 546 CB ARG A 68 15.377 28.095 17.635 1.00 24.01 C ATOM 547 CG ARG A 68 16.149 28.780 16.504 1.00 33.10 C ATOM 548 CD ARG A 68 17.069 29.865 17.008 1.00 33.40 C ATOM 549 NE ARG A 68 18.016 29.360 17.985 1.00 49.03 N ATOM 550 CZ ARG A 68 18.569 30.098 18.937 1.00 47.72 C ATOM 551 NH1 ARG A 68 18.273 31.382 19.039 1.00 45.24 N ATOM 552 NH2 ARG A 68 19.419 29.547 19.783 1.00 47.44 N ATOM 553 N CYS A 69 14.254 26.662 14.821 1.00 22.99 N ATOM 554 CA CYS A 69 14.596 25.804 13.671 1.00 24.67 C ATOM 555 C CYS A 69 15.558 26.578 12.797 1.00 26.92 C ATOM 556 O CYS A 69 15.291 27.724 12.455 1.00 28.07 O ATOM 557 CB CYS A 69 13.359 25.450 12.848 1.00 28.35 C ATOM 558 SG CYS A 69 11.977 24.829 13.823 1.00 29.63 S ATOM 559 N ILE A 70 16.693 25.977 12.462 1.00 23.97 N ATOM 560 CA ILE A 70 17.635 26.661 11.594 1.00 29.58 C ATOM 561 C ILE A 70 17.548 26.088 10.191 1.00 27.76 C ATOM 562 O ILE A 70 17.724 24.898 10.011 1.00 25.97 O ATOM 563 CB ILE A 70 19.067 26.508 12.081 1.00 34.11 C ATOM 564 CG1 ILE A 70 19.209 27.154 13.457 1.00 33.81 C ATOM 565 CG2 ILE A 70 20.019 27.146 11.068 1.00 32.23 C ATOM 566 CD1 ILE A 70 18.375 28.401 13.584 1.00 33.27 C ATOM 567 N LEU A 71 17.268 26.924 9.194 1.00 23.96 N ATOM 568 CA LEU A 71 17.099 26.403 7.836 1.00 23.14 C ATOM 569 C LEU A 71 18.284 26.793 6.946 1.00 30.21 C ATOM 570 O LEU A 71 18.597 27.970 6.797 1.00 33.54 O ATOM 571 CB LEU A 71 15.772 26.891 7.242 1.00 24.44 C ATOM 572 CG LEU A 71 14.504 26.122 7.651 1.00 24.46 C ATOM 573 CD1 LEU A 71 14.335 26.063 9.182 1.00 27.84 C ATOM 574 CD2 LEU A 71 13.256 26.705 6.991 1.00 23.69 C ATOM 575 N TRP A 72 18.943 25.803 6.356 1.00 30.15 N ATOM 576 CA TRP A 72 20.113 26.074 5.538 1.00 32.57 C ATOM 577 C TRP A 72 19.830 25.908 4.040 1.00 34.15 C ATOM 578 O TRP A 72 18.949 25.154 3.644 1.00 33.84 O ATOM 579 CB TRP A 72 21.284 25.179 5.954 1.00 35.10 C ATOM 580 CG TRP A 72 21.776 25.409 7.351 1.00 35.84 C ATOM 581 CD1 TRP A 72 21.493 24.657 8.454 1.00 38.59 C ATOM 582 CD2 TRP A 72 22.656 26.450 7.793 1.00 40.69 C ATOM 583 NE1 TRP A 72 22.133 25.174 9.555 1.00 39.89 N ATOM 584 CE2 TRP A 72 22.850 26.276 9.177 1.00 33.72 C ATOM 585 CE3 TRP A 72 23.291 27.521 7.155 1.00 38.39 C ATOM 586 CZ2 TRP A 72 23.661 27.120 9.931 1.00 40.10 C ATOM 587 CZ3 TRP A 72 24.094 28.363 7.907 1.00 35.92 C ATOM 588 CH2 TRP A 72 24.272 28.156 9.280 1.00 41.49 C ATOM 589 N ASP A 73 20.589 26.623 3.217 1.00 36.98 N ATOM 590 CA ASP A 73 20.604 26.345 1.784 1.00 33.93 C ATOM 591 C ASP A 73 19.207 26.334 1.146 1.00 34.31 C ATOM 592 O ASP A 73 18.478 27.324 1.225 1.00 35.21 O ATOM 593 CB ASP A 73 21.347 25.027 1.538 1.00 36.44 C ATOM 594 CG ASP A 73 22.704 24.995 2.246 1.00 42.17 C ATOM 595 OD1 ASP A 73 23.383 26.047 2.256 1.00 28.22 O ATOM 596 OD2 ASP A 73 23.080 23.946 2.808 1.00 44.20 O ATOM 597 N GLU A 74 18.842 25.230 0.503 1.00 31.60 N ATOM 598 CA GLU A 74 17.594 25.204 -0.266 1.00 30.74 C ATOM 599 C GLU A 74 16.381 25.482 0.617 1.00 28.05 C ATOM 600 O GLU A 74 15.427 26.149 0.198 1.00 27.64 O ATOM 601 CB GLU A 74 17.426 23.895 -1.073 1.00 31.71 C ATOM 602 CG GLU A 74 17.339 22.605 -0.264 1.00 26.86 C ATOM 603 CD GLU A 74 18.701 21.955 -0.062 1.00 33.10 C ATOM 604 OE1 GLU A 74 19.719 22.622 -0.349 1.00 39.70 O ATOM 605 OE2 GLU A 74 18.758 20.787 0.383 1.00 31.91 O ATOM 606 N HIS A 75 16.434 24.976 1.845 1.00 29.64 N ATOM 607 CA HIS A 75 15.367 25.180 2.817 1.00 32.11 C ATOM 608 C HIS A 75 15.238 26.665 3.124 1.00 26.98 C ATOM 609 O HIS A 75 14.132 27.214 3.203 1.00 27.68 O ATOM 610 CB HIS A 75 15.673 24.384 4.093 1.00 25.74 C ATOM 611 CG HIS A 75 16.167 22.994 3.823 1.00 32.50 C ATOM 612 ND1 HIS A 75 15.333 21.970 3.412 1.00 27.84 N ATOM 613 CD2 HIS A 75 17.414 22.463 3.886 1.00 30.35 C ATOM 614 CE1 HIS A 75 16.044 20.865 3.264 1.00 29.07 C ATOM 615 NE2 HIS A 75 17.308 21.137 3.538 1.00 31.38 N ATOM 616 N ASP A 76 16.388 27.307 3.297 1.00 26.07 N ATOM 617 CA ASP A 76 16.476 28.750 3.395 1.00 25.97 C ATOM 618 C ASP A 76 15.824 29.392 2.170 1.00 30.80 C ATOM 619 O ASP A 76 14.793 30.069 2.270 1.00 27.45 O ATOM 620 CB ASP A 76 17.960 29.157 3.502 1.00 27.92 C ATOM 621 CG ASP A 76 18.159 30.651 3.694 1.00 36.20 C ATOM 622 OD1 ASP A 76 17.163 31.411 3.649 1.00 33.40 O ATOM 623 OD2 ASP A 76 19.329 31.071 3.890 1.00 32.26 O ATOM 624 N PHE A 77 16.422 29.170 1.005 1.00 30.22 N ATOM 625 CA PHE A 77 15.938 29.810 -0.217 1.00 33.00 C ATOM 626 C PHE A 77 14.419 29.638 -0.344 1.00 27.52 C ATOM 627 O PHE A 77 13.713 30.569 -0.697 1.00 30.97 O ATOM 628 CB PHE A 77 16.665 29.243 -1.433 1.00 31.72 C ATOM 629 CG PHE A 77 18.162 29.402 -1.366 1.00 31.11 C ATOM 630 CD1 PHE A 77 18.722 30.591 -0.954 1.00 39.00 C ATOM 631 CD2 PHE A 77 19.002 28.356 -1.698 1.00 31.19 C ATOM 632 CE1 PHE A 77 20.100 30.745 -0.875 1.00 49.04 C ATOM 633 CE2 PHE A 77 20.387 28.501 -1.620 1.00 39.05 C ATOM 634 CZ PHE A 77 20.930 29.699 -1.206 1.00 47.26 C ATOM 635 N TYR A 78 13.914 28.453 -0.029 1.00 25.78 N ATOM 636 CA TYR A 78 12.484 28.185 -0.179 1.00 27.78 C ATOM 637 C TYR A 78 11.625 28.971 0.807 1.00 26.91 C ATOM 638 O TYR A 78 10.660 29.627 0.417 1.00 33.00 O ATOM 639 CB TYR A 78 12.209 26.688 -0.023 1.00 28.54 C ATOM 640 CG TYR A 78 10.746 26.316 -0.159 1.00 27.05 C ATOM 641 CD1 TYR A 78 10.017 26.702 -1.267 1.00 28.30 C ATOM 642 CD2 TYR A 78 10.110 25.571 0.808 1.00 26.32 C ATOM 643 CE1 TYR A 78 8.683 26.364 -1.402 1.00 30.53 C ATOM 644 CE2 TYR A 78 8.775 25.222 0.681 1.00 27.05 C ATOM 645 CZ TYR A 78 8.067 25.621 -0.422 1.00 29.69 C ATOM 646 OH TYR A 78 6.734 25.287 -0.560 1.00 27.80 O ATOM 647 N CYS A 79 11.981 28.912 2.085 1.00 30.17 N ATOM 648 CA CYS A 79 11.111 29.435 3.139 1.00 29.51 C ATOM 649 C CYS A 79 11.202 30.944 3.407 1.00 34.36 C ATOM 650 O CYS A 79 10.223 31.553 3.872 1.00 29.34 O ATOM 651 CB CYS A 79 11.350 28.660 4.439 1.00 23.06 C ATOM 652 SG CYS A 79 10.751 27.020 4.330 1.00 26.64 S ATOM 653 N ARG A 80 12.362 31.535 3.100 1.00 33.01 N ATOM 654 CA ARG A 80 12.710 32.883 3.571 1.00 34.34 C ATOM 655 C ARG A 80 11.665 33.960 3.272 1.00 34.29 C ATOM 656 O ARG A 80 11.328 34.757 4.153 1.00 34.37 O ATOM 657 CB ARG A 80 14.097 33.336 3.065 1.00 35.05 C ATOM 658 CG ARG A 80 14.158 33.599 1.561 1.00 41.04 C ATOM 659 CD ARG A 80 15.500 34.174 1.162 1.00 41.67 C ATOM 660 NE ARG A 80 16.555 33.166 1.168 1.00 37.45 N ATOM 661 CZ ARG A 80 17.852 33.435 1.299 1.00 43.63 C ATOM 662 NH1 ARG A 80 18.269 34.682 1.457 1.00 47.39 N ATOM 663 NH2 ARG A 80 18.740 32.448 1.283 1.00 46.71 N ATOM 664 N ASN A 81 11.176 33.992 2.036 1.00 32.35 N ATOM 665 CA ASN A 81 10.197 35.001 1.630 1.00 34.44 C ATOM 666 C ASN A 81 8.834 34.377 1.428 1.00 34.34 C ATOM 667 O ASN A 81 8.023 34.875 0.644 1.00 36.40 O ATOM 668 CB ASN A 81 10.632 35.690 0.344 1.00 39.96 C ATOM 669 CG ASN A 81 11.715 36.717 0.576 1.00 42.48 C ATOM 670 OD1 ASN A 81 12.874 36.501 0.232 1.00 38.02 O ATOM 671 ND2 ASN A 81 11.342 37.849 1.165 1.00 44.68 N ATOM 672 N TYR A 82 8.593 33.283 2.140 1.00 34.54 N ATOM 673 CA TYR A 82 7.377 32.493 1.974 1.00 36.27 C ATOM 674 C TYR A 82 6.705 32.149 3.320 1.00 32.55 C ATOM 675 O TYR A 82 5.541 32.478 3.531 1.00 34.78 O ATOM 676 CB TYR A 82 7.691 31.239 1.137 1.00 29.68 C ATOM 677 CG TYR A 82 6.570 30.236 1.018 1.00 32.43 C ATOM 678 CD1 TYR A 82 5.268 30.637 0.725 1.00 31.18 C ATOM 679 CD2 TYR A 82 6.815 28.874 1.183 1.00 33.38 C ATOM 680 CE1 TYR A 82 4.246 29.707 0.601 1.00 30.84 C ATOM 681 CE2 TYR A 82 5.792 27.935 1.063 1.00 32.90 C ATOM 682 CZ TYR A 82 4.511 28.360 0.779 1.00 31.27 C ATOM 683 OH TYR A 82 3.495 27.426 0.674 1.00 26.31 O ATOM 684 N ILE A 83 7.425 31.516 4.241 1.00 31.12 N ATOM 685 CA ILE A 83 6.826 31.186 5.547 1.00 32.26 C ATOM 686 C ILE A 83 6.792 32.400 6.469 1.00 32.35 C ATOM 687 O ILE A 83 7.842 32.951 6.790 1.00 40.39 O ATOM 688 CB ILE A 83 7.578 30.069 6.264 1.00 28.03 C ATOM 689 CG1 ILE A 83 7.738 28.862 5.352 1.00 32.97 C ATOM 690 CG2 ILE A 83 6.842 29.658 7.551 1.00 31.77 C ATOM 691 CD1 ILE A 83 6.442 28.193 5.018 1.00 34.76 C ATOM 692 N LYS A 84 5.597 32.799 6.909 1.00 35.45 N ATOM 693 CA LYS A 84 5.430 34.018 7.719 1.00 33.52 C ATOM 694 C LYS A 84 4.900 33.779 9.143 1.00 33.10 C ATOM 695 O LYS A 84 4.139 32.848 9.378 1.00 33.81 O ATOM 696 CB LYS A 84 4.518 35.016 6.998 1.00 31.37 C ATOM 697 CG LYS A 84 5.024 35.455 5.622 1.00 42.80 C ATOM 698 CD LYS A 84 4.082 36.459 4.948 1.00 47.63 C ATOM 699 CE LYS A 84 4.707 37.053 3.682 1.00 49.97 C ATOM 700 NZ LYS A 84 3.802 38.058 3.040 1.00 43.27 N ATOM 701 N GLU A 85 5.305 34.630 10.086 1.00 31.34 N ATOM 702 CA GLU A 85 4.780 34.606 11.456 1.00 31.76 C ATOM 703 C GLU A 85 3.247 34.514 11.449 1.00 30.36 C ATOM 704 O GLU A 85 2.576 35.333 10.806 1.00 30.50 O ATOM 705 CB GLU A 85 5.220 35.871 12.211 1.00 30.16 C ATOM 706 CG GLU A 85 6.738 35.983 12.424 1.00 29.17 C ATOM 707 CD GLU A 85 7.153 37.231 13.216 1.00 33.41 C ATOM 708 OE1 GLU A 85 6.285 38.081 13.506 1.00 33.94 O ATOM 709 OE2 GLU A 85 8.359 37.358 13.545 1.00 31.23 O ATOM 710 N GLY A 86 2.701 33.524 12.152 1.00 28.79 N ATOM 711 CA GLY A 86 1.263 33.262 12.142 1.00 31.98 C ATOM 712 C GLY A 86 0.875 32.060 11.279 1.00 37.10 C ATOM 713 O GLY A 86 -0.117 31.369 11.525 1.00 33.61 O ATOM 714 N ASP A 87 1.682 31.797 10.263 1.00 31.69 N ATOM 715 CA ASP A 87 1.507 30.599 9.454 1.00 33.76 C ATOM 716 C ASP A 87 1.590 29.321 10.285 1.00 37.88 C ATOM 717 O ASP A 87 2.233 29.281 11.351 1.00 32.41 O ATOM 718 CB ASP A 87 2.556 30.552 8.348 1.00 32.45 C ATOM 719 CG ASP A 87 2.279 31.542 7.261 1.00 35.69 C ATOM 720 OD1 ASP A 87 1.229 32.197 7.349 1.00 32.23 O ATOM 721 OD2 ASP A 87 3.092 31.654 6.317 1.00 32.23 O ATOM 722 N TYR A 88 0.920 28.283 9.792 1.00 36.12 N ATOM 723 CA TYR A 88 1.075 26.948 10.327 1.00 28.05 C ATOM 724 C TYR A 88 1.956 26.160 9.381 1.00 33.60 C ATOM 725 O TYR A 88 1.869 26.276 8.147 1.00 33.97 O ATOM 726 CB TYR A 88 -0.269 26.249 10.469 1.00 26.15 C ATOM 727 CG TYR A 88 -1.192 26.907 11.463 1.00 33.08 C ATOM 728 CD1 TYR A 88 -2.073 27.902 11.066 1.00 41.28 C ATOM 729 CD2 TYR A 88 -1.204 26.512 12.804 1.00 31.41 C ATOM 730 CE1 TYR A 88 -2.935 28.505 11.984 1.00 35.54 C ATOM 731 CE2 TYR A 88 -2.053 27.106 13.721 1.00 28.12 C ATOM 732 CZ TYR A 88 -2.912 28.098 13.305 1.00 32.22 C ATOM 733 OH TYR A 88 -3.756 28.684 14.210 1.00 36.30 O ATOM 734 N VAL A 89 2.803 25.333 9.953 1.00 31.55 N ATOM 735 CA VAL A 89 3.748 24.626 9.136 1.00 31.77 C ATOM 736 C VAL A 89 3.665 23.154 9.491 1.00 28.53 C ATOM 737 O VAL A 89 3.287 22.796 10.616 1.00 26.94 O ATOM 738 CB VAL A 89 5.158 25.189 9.393 1.00 36.00 C ATOM 739 CG1 VAL A 89 5.675 24.770 10.771 1.00 32.42 C ATOM 740 CG2 VAL A 89 6.087 24.763 8.318 1.00 26.08 C ATOM 741 N VAL A 90 3.981 22.292 8.536 1.00 23.98 N ATOM 742 CA VAL A 90 4.183 20.887 8.860 1.00 25.26 C ATOM 743 C VAL A 90 5.627 20.510 8.538 1.00 30.79 C ATOM 744 O VAL A 90 6.088 20.671 7.397 1.00 28.05 O ATOM 745 CB VAL A 90 3.192 19.959 8.114 1.00 28.37 C ATOM 746 CG1 VAL A 90 3.295 20.133 6.576 1.00 27.21 C ATOM 747 CG2 VAL A 90 3.431 18.534 8.498 1.00 29.81 C ATOM 748 N MET A 91 6.349 20.018 9.537 1.00 24.88 N ATOM 749 CA MET A 91 7.744 19.629 9.312 1.00 30.62 C ATOM 750 C MET A 91 7.960 18.129 9.415 1.00 28.63 C ATOM 751 O MET A 91 7.578 17.507 10.398 1.00 27.00 O ATOM 752 CB MET A 91 8.672 20.410 10.241 1.00 30.57 C ATOM 753 CG MET A 91 8.406 21.909 10.117 1.00 33.44 C ATOM 754 SD MET A 91 9.335 22.936 11.253 1.00 46.07 S ATOM 755 CE MET A 91 10.992 22.458 10.769 1.00 32.46 C ATOM 756 N LYS A 92 8.556 17.549 8.374 1.00 29.80 N ATOM 757 CA LYS A 92 8.669 16.090 8.286 1.00 28.46 C ATOM 758 C LYS A 92 10.131 15.633 8.322 1.00 29.64 C ATOM 759 O LYS A 92 10.978 16.203 7.639 1.00 27.35 O ATOM 760 CB LYS A 92 7.949 15.571 7.027 1.00 34.27 C ATOM 761 CG LYS A 92 6.427 15.638 7.122 1.00 33.03 C ATOM 762 CD LYS A 92 5.722 15.506 5.780 1.00 44.46 C ATOM 763 CE LYS A 92 4.218 15.725 5.949 1.00 47.97 C ATOM 764 NZ LYS A 92 3.473 15.703 4.663 1.00 49.68 N ATOM 765 N ASN A 93 10.410 14.625 9.145 1.00 31.10 N ATOM 766 CA ASN A 93 11.735 14.006 9.201 1.00 33.59 C ATOM 767 C ASN A 93 12.865 14.999 9.382 1.00 34.45 C ATOM 768 O ASN A 93 13.925 14.859 8.782 1.00 34.45 O ATOM 769 CB ASN A 93 11.984 13.158 7.951 1.00 35.08 C ATOM 770 CG ASN A 93 10.840 12.209 7.662 1.00 37.49 C ATOM 771 OD1 ASN A 93 10.330 11.546 8.566 1.00 32.37 O ATOM 772 ND2 ASN A 93 10.420 12.148 6.403 1.00 36.72 N ATOM 773 N VAL A 94 12.647 16.000 10.225 1.00 39.62 N ATOM 774 CA VAL A 94 13.682 16.990 10.495 1.00 34.94 C ATOM 775 C VAL A 94 14.604 16.542 11.626 1.00 34.19 C ATOM 776 O VAL A 94 14.230 15.699 12.444 1.00 39.76 O ATOM 777 CB VAL A 94 13.066 18.345 10.787 1.00 37.77 C ATOM 778 CG1 VAL A 94 12.376 18.882 9.510 1.00 30.77 C ATOM 779 CG2 VAL A 94 12.081 18.241 11.947 1.00 33.37 C ATOM 780 N ARG A 95 15.823 17.069 11.653 1.00 34.29 N ATOM 781 CA ARG A 95 16.807 16.618 12.641 1.00 35.81 C ATOM 782 C ARG A 95 16.728 17.488 13.886 1.00 33.68 C ATOM 783 O ARG A 95 16.399 18.660 13.788 1.00 34.94 O ATOM 784 CB ARG A 95 18.224 16.664 12.051 1.00 31.68 C ATOM 785 CG ARG A 95 19.295 16.067 12.959 1.00 45.15 C ATOM 786 CD ARG A 95 18.910 14.647 13.390 1.00 46.50 C ATOM 787 NE ARG A 95 19.771 14.102 14.439 1.00 49.13 N ATOM 788 CZ ARG A 95 19.921 12.800 14.676 1.00 50.37 C ATOM 789 NH1 ARG A 95 19.272 11.911 13.933 1.00 49.21 N ATOM 790 NH2 ARG A 95 20.724 12.383 15.650 1.00 47.14 N ATOM 791 N THR A 96 17.013 16.916 15.053 1.00 34.80 N ATOM 792 CA THR A 96 17.150 17.706 16.274 1.00 33.21 C ATOM 793 C THR A 96 18.528 17.512 16.933 1.00 32.81 C ATOM 794 O THR A 96 19.135 16.449 16.850 1.00 30.11 O ATOM 795 CB THR A 96 16.058 17.373 17.291 1.00 25.15 C ATOM 796 OG1 THR A 96 16.154 15.995 17.667 1.00 31.11 O ATOM 797 CG2 THR A 96 14.683 17.632 16.687 1.00 30.31 C ATOM 798 N LYS A 97 19.015 18.553 17.583 1.00 29.40 N ATOM 799 CA LYS A 97 20.243 18.454 18.341 1.00 40.50 C ATOM 800 C LYS A 97 20.130 19.322 19.575 1.00 35.85 C ATOM 801 O LYS A 97 19.055 19.840 19.890 1.00 27.91 O ATOM 802 CB LYS A 97 21.422 18.930 17.512 1.00 41.38 C ATOM 803 CG LYS A 97 21.419 20.428 17.297 1.00 38.82 C ATOM 804 CD LYS A 97 22.687 20.882 16.591 1.00 48.68 C ATOM 805 CE LYS A 97 22.764 20.265 15.214 1.00 46.47 C ATOM 806 NZ LYS A 97 24.045 20.600 14.530 1.00 53.38 N ATOM 807 N ILE A 98 21.257 19.494 20.249 1.00 37.34 N ATOM 808 CA ILE A 98 21.346 20.379 21.392 1.00 36.84 C ATOM 809 C ILE A 98 22.390 21.429 21.063 1.00 39.97 C ATOM 810 O ILE A 98 23.484 21.085 20.611 1.00 40.49 O ATOM 811 CB ILE A 98 21.756 19.605 22.649 1.00 43.75 C ATOM 812 CG1 ILE A 98 20.720 18.527 22.966 1.00 42.17 C ATOM 813 CG2 ILE A 98 21.911 20.543 23.836 1.00 43.23 C ATOM 814 CD1 ILE A 98 21.335 17.201 23.325 1.00 46.51 C ATOM 815 N ASP A 99 22.062 22.704 21.257 1.00 36.99 N ATOM 816 CA ASP A 99 23.035 23.758 20.953 1.00 43.90 C ATOM 817 C ASP A 99 24.027 23.957 22.105 1.00 42.62 C ATOM 818 O ASP A 99 23.981 23.229 23.095 1.00 37.73 O ATOM 819 CB ASP A 99 22.366 25.076 20.544 1.00 44.70 C ATOM 820 CG ASP A 99 21.599 25.725 21.676 1.00 40.89 C ATOM 821 OD1 ASP A 99 21.791 25.320 22.839 1.00 41.17 O ATOM 822 OD2 ASP A 99 20.802 26.647 21.399 1.00 42.05 O ATOM 823 N HIS A 100 24.908 24.943 21.965 1.00 47.32 N ATOM 824 CA HIS A 100 26.050 25.093 22.867 1.00 42.99 C ATOM 825 C HIS A 100 25.612 25.429 24.275 1.00 46.38 C ATOM 826 O HIS A 100 26.375 25.300 25.224 1.00 46.71 O ATOM 827 CB HIS A 100 26.987 26.180 22.355 1.00 52.04 C ATOM 828 CG HIS A 100 27.495 25.934 20.964 1.00 58.58 C ATOM 829 ND1 HIS A 100 28.612 25.175 20.706 1.00 61.01 N ATOM 830 CD2 HIS A 100 27.034 26.360 19.764 1.00 55.87 C ATOM 831 CE1 HIS A 100 28.825 25.141 19.398 1.00 57.21 C ATOM 832 NE2 HIS A 100 27.883 25.848 18.808 1.00 60.76 N ATOM 833 N LEU A 101 24.366 25.862 24.396 1.00 45.75 N ATOM 834 CA LEU A 101 23.834 26.273 25.677 1.00 44.38 C ATOM 835 C LEU A 101 22.937 25.192 26.240 1.00 37.95 C ATOM 836 O LEU A 101 22.396 25.348 27.338 1.00 37.52 O ATOM 837 CB LEU A 101 23.072 27.591 25.541 1.00 44.65 C ATOM 838 CG LEU A 101 23.918 28.845 25.354 1.00 47.38 C ATOM 839 CD1 LEU A 101 23.063 30.034 24.931 1.00 42.39 C ATOM 840 CD2 LEU A 101 24.694 29.164 26.632 1.00 43.16 C ATOM 841 N GLY A 102 22.766 24.106 25.488 1.00 36.65 N ATOM 842 CA GLY A 102 22.049 22.946 25.999 1.00 37.90 C ATOM 843 C GLY A 102 20.557 22.923 25.693 1.00 39.63 C ATOM 844 O GLY A 102 19.803 22.122 26.248 1.00 39.19 O ATOM 845 N TYR A 103 20.123 23.807 24.806 1.00 34.65 N ATOM 846 CA TYR A 103 18.725 23.826 24.399 1.00 33.61 C ATOM 847 C TYR A 103 18.475 22.916 23.201 1.00 32.85 C ATOM 848 O TYR A 103 19.353 22.738 22.368 1.00 34.30 O ATOM 849 CB TYR A 103 18.300 25.259 24.085 1.00 34.17 C ATOM 850 CG TYR A 103 18.516 26.190 25.245 1.00 32.84 C ATOM 851 CD1 TYR A 103 17.788 26.039 26.413 1.00 35.20 C ATOM 852 CD2 TYR A 103 19.460 27.214 25.178 1.00 36.48 C ATOM 853 CE1 TYR A 103 17.980 26.889 27.484 1.00 37.24 C ATOM 854 CE2 TYR A 103 19.659 28.064 26.244 1.00 35.09 C ATOM 855 CZ TYR A 103 18.913 27.892 27.393 1.00 35.87 C ATOM 856 OH TYR A 103 19.099 28.722 28.461 1.00 36.77 O ATOM 857 N LEU A 104 17.273 22.349 23.118 1.00 35.36 N ATOM 858 CA LEU A 104 16.901 21.507 21.984 1.00 31.50 C ATOM 859 C LEU A 104 16.554 22.413 20.800 1.00 33.06 C ATOM 860 O LEU A 104 15.875 23.424 20.955 1.00 31.73 O ATOM 861 CB LEU A 104 15.726 20.583 22.344 1.00 31.14 C ATOM 862 CG LEU A 104 15.284 19.526 21.315 1.00 38.44 C ATOM 863 CD1 LEU A 104 16.440 18.641 20.852 1.00 35.17 C ATOM 864 CD2 LEU A 104 14.134 18.666 21.861 1.00 36.79 C ATOM 865 N GLU A 105 17.038 22.049 19.626 1.00 30.56 N ATOM 866 CA GLU A 105 16.938 22.907 18.462 1.00 32.59 C ATOM 867 C GLU A 105 16.738 22.018 17.246 1.00 31.50 C ATOM 868 O GLU A 105 17.146 20.864 17.238 1.00 30.02 O ATOM 869 CB GLU A 105 18.229 23.700 18.309 1.00 37.12 C ATOM 870 CG GLU A 105 18.069 25.047 17.671 1.00 38.17 C ATOM 871 CD GLU A 105 19.401 25.712 17.411 1.00 42.45 C ATOM 872 OE1 GLU A 105 20.426 24.998 17.332 1.00 46.38 O ATOM 873 OE2 GLU A 105 19.415 26.952 17.286 1.00 52.23 O ATOM 874 N CYS A 106 16.112 22.560 16.219 1.00 25.66 N ATOM 875 CA ACYS A 106 15.863 21.801 15.012 1.00 33.67 C ATOM 876 CA BCYS A 106 15.853 21.806 15.002 0.00 31.80 C ATOM 877 C CYS A 106 16.675 22.396 13.870 1.00 31.33 C ATOM 878 O CYS A 106 16.827 23.608 13.782 1.00 29.64 O ATOM 879 CB ACYS A 106 14.372 21.844 14.696 1.00 31.63 C ATOM 880 CB BCYS A 106 14.364 21.842 14.652 0.00 32.33 C ATOM 881 SG ACYS A 106 13.951 21.105 13.133 1.00 50.27 S ATOM 882 SG BCYS A 106 13.935 20.925 13.155 0.00 32.65 S ATOM 883 N ILE A 107 17.196 21.538 13.004 1.00 33.29 N ATOM 884 CA ILE A 107 18.078 21.977 11.924 1.00 36.33 C ATOM 885 C ILE A 107 17.722 21.322 10.594 1.00 36.89 C ATOM 886 O ILE A 107 17.422 20.136 10.546 1.00 36.31 O ATOM 887 CB ILE A 107 19.538 21.623 12.243 1.00 36.22 C ATOM 888 CG1 ILE A 107 19.910 22.105 13.647 1.00 44.70 C ATOM 889 CG2 ILE A 107 20.476 22.225 11.211 1.00 37.67 C ATOM 890 CD1 ILE A 107 20.103 23.593 13.749 1.00 40.24 C ATOM 891 N LEU A 108 17.751 22.092 9.514 1.00 31.89 N ATOM 892 CA LEU A 108 17.560 21.526 8.187 1.00 33.78 C ATOM 893 C LEU A 108 18.788 21.834 7.337 1.00 34.71 C ATOM 894 O LEU A 108 18.916 22.928 6.786 1.00 29.56 O ATOM 895 CB LEU A 108 16.298 22.099 7.538 1.00 30.48 C ATOM 896 CG LEU A 108 14.954 21.507 7.990 1.00 28.51 C ATOM 897 CD1 LEU A 108 14.713 21.764 9.471 1.00 37.06 C ATOM 898 CD2 LEU A 108 13.810 22.091 7.153 1.00 27.88 C ATOM 899 N HIS A 109 19.683 20.864 7.227 1.00 33.44 N ATOM 900 CA HIS A 109 20.883 21.022 6.426 1.00 39.03 C ATOM 901 C HIS A 109 20.599 20.816 4.944 1.00 38.28 C ATOM 902 O HIS A 109 19.558 20.302 4.566 1.00 32.10 O ATOM 903 CB HIS A 109 21.944 20.006 6.851 1.00 45.27 C ATOM 904 CG HIS A 109 22.398 20.147 8.269 1.00 37.73 C ATOM 905 ND1 HIS A 109 23.249 21.147 8.681 1.00 41.63 N ATOM 906 CD2 HIS A 109 22.142 19.396 9.364 1.00 45.39 C ATOM 907 CE1 HIS A 109 23.487 21.015 9.973 1.00 51.12 C ATOM 908 NE2 HIS A 109 22.826 19.960 10.412 1.00 50.47 N ATOM 909 N GLY A 110 21.556 21.207 4.116 1.00 52.46 N ATOM 910 CA GLY A 110 21.575 20.825 2.721 1.00 48.82 C ATOM 911 C GLY A 110 22.640 19.758 2.556 1.00 55.57 C ATOM 912 O GLY A 110 23.497 19.607 3.418 1.00 60.13 O ATOM 913 N ASP A 111 22.556 18.998 1.474 1.00 66.00 N ATOM 914 CA ASP A 111 21.304 18.909 0.738 1.00 59.83 C ATOM 915 C ASP A 111 20.433 17.776 1.315 1.00 62.41 C ATOM 916 O ASP A 111 19.393 17.467 0.766 1.00 56.86 O ATOM 917 CB ASP A 111 21.518 18.774 -0.777 1.00 59.68 C ATOM 918 CG ASP A 111 22.793 18.021 -1.144 1.00 62.77 C ATOM 919 OD1 ASP A 111 23.813 18.192 -0.441 1.00 56.22 O ATOM 920 OD2 ASP A 111 22.779 17.264 -2.147 1.00 64.95 O ATOM 921 N SER A 112 20.861 17.179 2.425 1.00 64.40 N ATOM 922 CA SER A 112 20.278 15.937 2.985 1.00 64.03 C ATOM 923 C SER A 112 20.363 14.787 1.971 1.00 68.11 C ATOM 924 O SER A 112 21.469 14.403 1.545 1.00 69.97 O ATOM 925 CB SER A 112 18.857 16.091 3.642 1.00 20.00 C ATOM 926 N ALA A 113 19.222 14.214 1.604 1.00 58.52 N ATOM 927 CA ALA A 113 19.204 13.183 0.565 1.00 63.13 C ATOM 928 C ALA A 113 17.789 12.709 0.340 1.00 66.72 C ATOM 929 O ALA A 113 16.983 12.767 1.253 1.00 63.97 O ATOM 930 CB ALA A 113 20.081 11.997 0.982 1.00 65.05 C ATOM 931 N LYS A 114 17.506 12.145 -0.832 1.00 62.86 N ATOM 932 CA LYS A 114 16.113 11.877 -1.213 1.00 66.48 C ATOM 933 C LYS A 114 15.485 10.968 -0.148 1.00 67.48 C ATOM 934 O LYS A 114 14.303 11.118 0.227 1.00 70.92 O ATOM 935 CB LYS A 114 15.979 11.285 -2.664 1.00 20.00 C ATOM 936 N ARG A 115 16.302 10.046 0.352 1.00 63.88 N ATOM 937 CA ARG A 115 15.811 8.984 1.231 1.00 65.16 C ATOM 938 C ARG A 115 15.254 9.460 2.575 1.00 60.73 C ATOM 939 O ARG A 115 14.484 8.731 3.221 1.00 58.38 O ATOM 940 CB ARG A 115 16.878 7.894 1.446 1.00 58.53 C ATOM 941 CG ARG A 115 17.853 8.137 2.567 1.00 60.79 C ATOM 942 CD ARG A 115 18.798 6.951 2.671 1.00 62.83 C ATOM 943 NE ARG A 115 20.175 7.347 2.399 1.00 57.62 N ATOM 944 CZ ARG A 115 20.950 7.971 3.287 1.00 64.43 C ATOM 945 NH1 ARG A 115 20.477 8.267 4.499 1.00 66.08 N ATOM 946 NH2 ARG A 115 22.195 8.304 2.970 1.00 63.83 N ATOM 947 N TYR A 116 15.633 10.662 3.003 1.00 54.21 N ATOM 948 CA TYR A 116 15.164 11.121 4.303 1.00 51.43 C ATOM 949 C TYR A 116 13.765 11.697 4.211 1.00 47.70 C ATOM 950 O TYR A 116 13.037 11.735 5.195 1.00 44.63 O ATOM 951 CB TYR A 116 16.112 12.164 4.880 1.00 44.18 C ATOM 952 CG TYR A 116 17.364 11.569 5.459 1.00 60.17 C ATOM 953 CD1 TYR A 116 17.304 10.458 6.285 1.00 58.57 C ATOM 954 CD2 TYR A 116 18.606 12.114 5.181 1.00 57.07 C ATOM 955 CE1 TYR A 116 18.443 9.907 6.815 1.00 61.66 C ATOM 956 CE2 TYR A 116 19.752 11.567 5.708 1.00 58.63 C ATOM 957 CZ TYR A 116 19.664 10.462 6.524 1.00 65.31 C ATOM 958 OH TYR A 116 20.804 9.911 7.054 1.00 62.27 O ATOM 959 N ASN A 117 13.391 12.148 3.023 1.00 39.85 N ATOM 960 CA ASN A 117 12.099 12.783 2.842 1.00 39.13 C ATOM 961 C ASN A 117 11.890 13.899 3.860 1.00 40.72 C ATOM 962 O ASN A 117 10.803 14.053 4.408 1.00 37.59 O ATOM 963 CB ASN A 117 10.973 11.756 2.947 1.00 47.79 C ATOM 964 CG ASN A 117 10.899 10.846 1.739 1.00 54.56 C ATOM 965 OD1 ASN A 117 11.073 11.286 0.608 1.00 53.90 O ATOM 966 ND2 ASN A 117 10.640 9.571 1.976 1.00 48.03 N ATOM 967 N MET A 118 12.942 14.672 4.105 1.00 33.72 N ATOM 968 CA MET A 118 12.861 15.834 4.985 1.00 40.00 C ATOM 969 C MET A 118 12.199 16.996 4.260 1.00 35.17 C ATOM 970 O MET A 118 12.564 17.323 3.120 1.00 31.48 O ATOM 971 CB MET A 118 14.251 16.254 5.457 1.00 32.78 C ATOM 972 CG MET A 118 14.242 17.500 6.334 1.00 32.59 C ATOM 973 SD MET A 118 15.819 17.714 7.188 1.00 31.83 S ATOM 974 CE MET A 118 16.755 18.666 5.990 1.00 31.92 C ATOM 975 N SER A 119 11.235 17.627 4.920 1.00 24.42 N ATOM 976 CA SER A 119 10.497 18.692 4.281 1.00 29.63 C ATOM 977 C SER A 119 9.856 19.648 5.267 1.00 29.03 C ATOM 978 O SER A 119 9.664 19.327 6.444 1.00 29.90 O ATOM 979 CB SER A 119 9.400 18.104 3.397 1.00 34.46 C ATOM 980 OG SER A 119 8.360 17.583 4.190 1.00 32.43 O ATOM 981 N ILE A 120 9.532 20.832 4.767 1.00 27.04 N ATOM 982 CA ILE A 120 8.696 21.765 5.493 1.00 25.85 C ATOM 983 C ILE A 120 7.727 22.375 4.495 1.00 31.30 C ATOM 984 O ILE A 120 8.121 22.715 3.371 1.00 28.85 O ATOM 985 CB ILE A 120 9.548 22.836 6.206 1.00 25.60 C ATOM 986 CG1 ILE A 120 8.668 23.942 6.782 1.00 33.85 C ATOM 987 CG2 ILE A 120 10.599 23.400 5.268 1.00 31.81 C ATOM 988 CD1 ILE A 120 9.420 24.881 7.700 1.00 32.41 C ATOM 989 N GLU A 121 6.455 22.467 4.873 1.00 26.72 N ATOM 990 CA GLU A 121 5.459 23.051 3.988 1.00 31.33 C ATOM 991 C GLU A 121 4.379 23.763 4.793 1.00 31.14 C ATOM 992 O GLU A 121 4.002 23.313 5.867 1.00 33.53 O ATOM 993 CB GLU A 121 4.830 21.975 3.101 1.00 29.93 C ATOM 994 CG GLU A 121 5.818 21.269 2.171 1.00 34.34 C ATOM 995 CD GLU A 121 6.235 22.113 0.966 1.00 31.47 C ATOM 996 OE1 GLU A 121 5.740 23.249 0.816 1.00 30.76 O ATOM 997 OE2 GLU A 121 7.055 21.628 0.161 1.00 29.51 O ATOM 998 N LYS A 122 3.907 24.894 4.283 1.00 26.48 N ATOM 999 CA LYS A 122 2.872 25.644 4.984 1.00 35.59 C ATOM 1000 C LYS A 122 1.631 24.769 5.032 1.00 34.37 C ATOM 1001 O LYS A 122 1.367 24.017 4.095 1.00 37.75 O ATOM 1002 CB LYS A 122 2.594 26.976 4.275 1.00 33.41 C ATOM 1003 CG LYS A 122 1.502 27.844 4.901 1.00 33.77 C ATOM 1004 CD LYS A 122 1.378 29.200 4.176 1.00 36.05 C ATOM 1005 CE LYS A 122 2.734 29.914 4.068 1.00 37.24 C ATOM 1006 NZ LYS A 122 2.725 31.276 3.413 1.00 42.21 N ATOM 1007 N VAL A 123 0.907 24.815 6.143 1.00 31.07 N ATOM 1008 CA VAL A 123 -0.388 24.151 6.220 1.00 36.18 C ATOM 1009 C VAL A 123 -1.499 25.196 6.130 1.00 41.42 C ATOM 1010 O VAL A 123 -1.442 26.245 6.782 1.00 33.32 O ATOM 1011 CB VAL A 123 -0.555 23.333 7.498 1.00 37.83 C ATOM 1012 CG1 VAL A 123 -1.962 22.717 7.559 1.00 39.30 C ATOM 1013 CG2 VAL A 123 0.516 22.254 7.589 1.00 34.19 C ATOM 1014 N ASP A 124 -2.500 24.920 5.302 1.00 41.45 N ATOM 1015 CA ASP A 124 -3.611 25.846 5.170 1.00 42.53 C ATOM 1016 C ASP A 124 -4.230 26.037 6.550 1.00 37.60 C ATOM 1017 O ASP A 124 -4.503 25.071 7.260 1.00 39.86 O ATOM 1018 CB ASP A 124 -4.643 25.323 4.170 1.00 41.35 C ATOM 1019 CG ASP A 124 -5.756 26.317 3.913 1.00 47.11 C ATOM 1020 OD1 ASP A 124 -5.710 27.008 2.868 1.00 55.40 O ATOM 1021 OD2 ASP A 124 -6.667 26.418 4.759 1.00 45.22 O ATOM 1022 N SER A 125 -4.439 27.290 6.928 1.00 39.18 N ATOM 1023 CA SER A 125 -4.934 27.605 8.264 1.00 41.54 C ATOM 1024 C SER A 125 -6.286 26.957 8.587 1.00 45.97 C ATOM 1025 O SER A 125 -6.705 26.953 9.736 1.00 43.56 O ATOM 1026 CB SER A 125 -5.009 29.123 8.470 1.00 46.72 C ATOM 1027 OG SER A 125 -5.882 29.740 7.539 1.00 40.54 O ATOM 1028 N GLU A 126 -6.966 26.410 7.581 1.00 41.44 N ATOM 1029 CA GLU A 126 -8.272 25.791 7.817 1.00 46.29 C ATOM 1030 C GLU A 126 -8.199 24.271 7.893 1.00 42.64 C ATOM 1031 O GLU A 126 -9.221 23.589 7.872 1.00 44.55 O ATOM 1032 CB GLU A 126 -9.286 26.223 6.754 1.00 44.68 C ATOM 1033 CG GLU A 126 -9.492 27.741 6.672 1.00 52.78 C ATOM 1034 CD GLU A 126 -10.830 28.120 6.068 1.00 51.07 C ATOM 1035 OE1 GLU A 126 -11.576 27.208 5.664 1.00 57.58 O ATOM 1036 OE2 GLU A 126 -11.141 29.329 6.004 1.00 58.69 O ATOM 1037 N GLU A 127 -6.985 23.745 7.982 1.00 41.44 N ATOM 1038 CA GLU A 127 -6.792 22.302 8.058 1.00 45.68 C ATOM 1039 C GLU A 127 -7.090 21.795 9.457 1.00 44.22 C ATOM 1040 O GLU A 127 -6.579 22.338 10.439 1.00 44.68 O ATOM 1041 CB GLU A 127 -5.363 21.922 7.661 1.00 48.64 C ATOM 1042 CG GLU A 127 -5.021 22.252 6.221 1.00 44.21 C ATOM 1043 CD GLU A 127 -5.893 21.503 5.227 1.00 53.92 C ATOM 1044 OE1 GLU A 127 -6.718 20.657 5.653 1.00 54.91 O ATOM 1045 OE2 GLU A 127 -5.750 21.761 4.013 1.00 53.45 O ATOM 1046 N PRO A 128 -7.923 20.752 9.550 1.00 45.14 N ATOM 1047 CA PRO A 128 -8.348 20.199 10.837 1.00 45.49 C ATOM 1048 C PRO A 128 -7.187 19.643 11.660 1.00 43.23 C ATOM 1049 O PRO A 128 -7.330 19.474 12.872 1.00 43.80 O ATOM 1050 CB PRO A 128 -9.296 19.062 10.430 1.00 51.49 C ATOM 1051 CG PRO A 128 -8.881 18.702 9.043 1.00 47.54 C ATOM 1052 CD PRO A 128 -8.496 20.007 8.417 1.00 47.48 C ATOM 1053 N GLU A 129 -6.059 19.359 11.017 1.00 44.18 N ATOM 1054 CA GLU A 129 -4.914 18.819 11.742 1.00 43.74 C ATOM 1055 C GLU A 129 -4.334 19.861 12.688 1.00 40.60 C ATOM 1056 O GLU A 129 -3.569 19.526 13.576 1.00 44.27 O ATOM 1057 CB GLU A 129 -3.835 18.301 10.787 1.00 42.43 C ATOM 1058 CG GLU A 129 -4.150 16.945 10.176 1.00 44.13 C ATOM 1059 CD GLU A 129 -5.232 17.029 9.117 1.00 51.61 C ATOM 1060 OE1 GLU A 129 -5.161 17.952 8.283 1.00 48.40 O ATOM 1061 OE2 GLU A 129 -6.155 16.184 9.122 1.00 53.48 O ATOM 1062 N LEU A 130 -4.709 21.123 12.488 1.00 39.77 N ATOM 1063 CA LEU A 130 -4.261 22.211 13.359 1.00 38.47 C ATOM 1064 C LEU A 130 -5.256 22.521 14.472 1.00 37.88 C ATOM 1065 O LEU A 130 -5.187 23.588 15.090 1.00 33.13 O ATOM 1066 CB LEU A 130 -4.029 23.484 12.557 1.00 31.47 C ATOM 1067 CG LEU A 130 -3.205 23.379 11.276 1.00 39.40 C ATOM 1068 CD1 LEU A 130 -3.409 24.636 10.410 1.00 34.12 C ATOM 1069 CD2 LEU A 130 -1.731 23.153 11.607 1.00 32.64 C ATOM 1070 N ASN A 131 -6.186 21.604 14.723 1.00 34.33 N ATOM 1071 CA ASN A 131 -7.219 21.857 15.717 1.00 39.14 C ATOM 1072 C ASN A 131 -6.704 21.780 17.154 1.00 33.44 C ATOM 1073 O ASN A 131 -7.051 22.620 17.994 1.00 37.69 O ATOM 1074 CB ASN A 131 -8.426 20.934 15.498 1.00 38.06 C ATOM 1075 CG ASN A 131 -9.318 21.418 14.376 1.00 42.05 C ATOM 1076 OD1 ASN A 131 -9.411 22.618 14.129 1.00 50.35 O ATOM 1077 ND2 ASN A 131 -9.972 20.489 13.681 1.00 41.07 N ATOM 1078 N GLU A 132 -5.861 20.792 17.426 1.00 28.01 N ATOM 1079 CA GLU A 132 -5.317 20.652 18.772 1.00 39.19 C ATOM 1080 C GLU A 132 -4.442 21.852 19.171 1.00 36.51 C ATOM 1081 O GLU A 132 -4.494 22.304 20.310 1.00 34.69 O ATOM 1082 CB GLU A 132 -4.576 19.322 18.936 1.00 38.67 C ATOM 1083 CG GLU A 132 -5.510 18.116 19.082 1.00 45.23 C ATOM 1084 CD GLU A 132 -4.772 16.805 19.345 1.00 58.13 C ATOM 1085 OE1 GLU A 132 -3.728 16.816 20.042 1.00 53.13 O ATOM 1086 OE2 GLU A 132 -5.240 15.756 18.842 1.00 63.62 O ATOM 1087 N ILE A 133 -3.656 22.368 18.223 1.00 34.78 N ATOM 1088 CA ILE A 133 -2.856 23.578 18.437 1.00 32.46 C ATOM 1089 C ILE A 133 -3.738 24.746 18.835 1.00 37.47 C ATOM 1090 O ILE A 133 -3.444 25.489 19.773 1.00 33.67 O ATOM 1091 CB ILE A 133 -2.117 23.991 17.157 1.00 33.17 C ATOM 1092 CG1 ILE A 133 -1.047 22.979 16.820 1.00 34.40 C ATOM 1093 CG2 ILE A 133 -1.456 25.345 17.324 1.00 31.43 C ATOM 1094 CD1 ILE A 133 -0.311 22.570 18.007 1.00 37.90 C ATOM 1095 N LYS A 134 -4.819 24.925 18.091 1.00 36.80 N ATOM 1096 CA LYS A 134 -5.722 26.030 18.349 1.00 36.84 C ATOM 1097 C LYS A 134 -6.366 25.928 19.735 1.00 36.87 C ATOM 1098 O LYS A 134 -6.395 26.902 20.486 1.00 39.22 O ATOM 1099 CB LYS A 134 -6.770 26.118 17.241 1.00 38.38 C ATOM 1100 CG LYS A 134 -6.240 26.725 15.950 1.00 32.98 C ATOM 1101 CD LYS A 134 -7.049 26.234 14.747 1.00 35.24 C ATOM 1102 CE LYS A 134 -6.647 26.960 13.460 1.00 40.84 C ATOM 1103 NZ LYS A 134 -7.426 26.478 12.275 1.00 43.53 N ATOM 1104 N SER A 135 -6.868 24.749 20.079 1.00 36.47 N ATOM 1105 CA SER A 135 -7.498 24.579 21.382 1.00 38.60 C ATOM 1106 C SER A 135 -6.491 24.765 22.516 1.00 42.59 C ATOM 1107 O SER A 135 -6.752 25.517 23.454 1.00 37.89 O ATOM 1108 CB SER A 135 -8.223 23.236 21.493 1.00 33.18 C ATOM 1109 OG SER A 135 -7.313 22.168 21.621 1.00 42.84 O ATOM 1110 N ARG A 136 -5.338 24.101 22.434 1.00 44.70 N ATOM 1111 CA ARG A 136 -4.310 24.272 23.463 1.00 36.60 C ATOM 1112 C ARG A 136 -3.884 25.728 23.584 1.00 38.28 C ATOM 1113 O ARG A 136 -3.534 26.199 24.666 1.00 39.22 O ATOM 1114 CB ARG A 136 -3.083 23.425 23.159 1.00 31.69 C ATOM 1115 CG ARG A 136 -3.194 21.995 23.577 1.00 38.37 C ATOM 1116 CD ARG A 136 -1.840 21.322 23.476 1.00 34.27 C ATOM 1117 NE ARG A 136 -1.300 21.452 22.133 1.00 33.76 N ATOM 1118 CZ ARG A 136 -1.398 20.514 21.195 1.00 37.78 C ATOM 1119 NH1 ARG A 136 -2.003 19.365 21.459 1.00 40.94 N ATOM 1120 NH2 ARG A 136 -0.885 20.719 19.992 1.00 33.88 N ATOM 1121 N LYS A 137 -3.890 26.450 22.474 1.00 37.88 N ATOM 1122 CA LYS A 137 -3.514 27.853 22.544 1.00 38.27 C ATOM 1123 C LYS A 137 -4.370 28.563 23.599 1.00 41.58 C ATOM 1124 O LYS A 137 -3.911 29.497 24.259 1.00 42.24 O ATOM 1125 CB LYS A 137 -3.669 28.537 21.185 1.00 40.92 C ATOM 1126 CG LYS A 137 -3.495 30.047 21.245 1.00 37.93 C ATOM 1127 CD LYS A 137 -3.125 30.611 19.896 1.00 34.75 C ATOM 1128 CE LYS A 137 -3.075 32.141 19.921 1.00 36.74 C ATOM 1129 NZ LYS A 137 -2.041 32.634 20.856 1.00 48.18 N ATOM 1130 N ARG A 138 -5.610 28.110 23.765 1.00 40.97 N ATOM 1131 CA ARG A 138 -6.531 28.771 24.690 1.00 45.73 C ATOM 1132 C ARG A 138 -6.239 28.528 26.173 1.00 50.42 C ATOM 1133 O ARG A 138 -6.916 29.072 27.042 1.00 47.68 O ATOM 1134 CB ARG A 138 -7.982 28.443 24.353 1.00 39.04 C ATOM 1135 CG ARG A 138 -8.470 29.203 23.126 1.00 52.74 C ATOM 1136 CD ARG A 138 -9.977 29.387 23.160 1.00 56.26 C ATOM 1137 NE ARG A 138 -10.625 28.113 23.413 1.00 58.02 N ATOM 1138 CZ ARG A 138 -10.576 27.089 22.570 1.00 57.10 C ATOM 1139 NH1 ARG A 138 -9.910 27.200 21.426 1.00 54.95 N ATOM 1140 NH2 ARG A 138 -11.183 25.953 22.874 1.00 53.09 N ATOM 1141 N LEU A 139 -5.220 27.729 26.459 1.00 49.78 N ATOM 1142 CA LEU A 139 -4.813 27.506 27.839 1.00 43.10 C ATOM 1143 C LEU A 139 -3.859 28.600 28.305 1.00 53.33 C ATOM 1144 O LEU A 139 -3.703 28.827 29.511 1.00 53.35 O ATOM 1145 CB LEU A 139 -4.172 26.124 28.002 1.00 48.72 C ATOM 1146 CG LEU A 139 -5.112 24.944 28.286 1.00 50.60 C ATOM 1147 CD1 LEU A 139 -6.145 24.722 27.172 1.00 42.42 C ATOM 1148 CD2 LEU A 139 -4.308 23.673 28.539 1.00 44.33 C ATOM 1149 N TYR A 140 -3.231 29.283 27.349 1.00 50.01 N ATOM 1150 CA TYR A 140 -2.249 30.320 27.670 1.00 51.01 C ATOM 1151 C TYR A 140 -2.717 31.706 27.250 1.00 53.01 C ATOM 1152 O TYR A 140 -1.957 32.677 27.288 1.00 58.60 O ATOM 1153 CB TYR A 140 -0.886 29.967 27.070 1.00 46.61 C ATOM 1154 CG TYR A 140 -0.545 28.534 27.373 1.00 48.81 C ATOM 1155 CD1 TYR A 140 0.001 28.178 28.600 1.00 49.63 C ATOM 1156 CD2 TYR A 140 -0.833 27.522 26.464 1.00 48.20 C ATOM 1157 CE1 TYR A 140 0.289 26.859 28.900 1.00 53.40 C ATOM 1158 CE2 TYR A 140 -0.549 26.197 26.757 1.00 45.61 C ATOM 1159 CZ TYR A 140 0.011 25.875 27.975 1.00 46.64 C ATOM 1160 OH TYR A 140 0.301 24.568 28.272 1.00 46.36 O ATOM 1161 N VAL A 141 -3.979 31.791 26.856 1.00 50.19 N ATOM 1162 CA VAL A 141 -4.640 33.077 26.712 1.00 53.34 C ATOM 1163 C VAL A 141 -5.832 33.094 27.657 1.00 55.68 C ATOM 1164 O VAL A 141 -6.235 32.044 28.164 1.00 47.69 O ATOM 1165 CB VAL A 141 -5.130 33.307 25.285 1.00 56.59 C ATOM 1166 CG1 VAL A 141 -5.923 34.607 25.210 1.00 57.00 C ATOM 1167 CG2 VAL A 141 -3.948 33.324 24.326 1.00 52.74 C TER 1168 VAL A 141 ATOM 1169 O5' DG B 1 28.139 23.606 11.522 1.00 55.66 O ATOM 1170 C5' DG B 1 29.487 23.964 11.218 1.00 53.52 C ATOM 1171 C4' DG B 1 29.530 25.225 10.370 1.00 51.44 C ATOM 1172 O4' DG B 1 28.881 24.992 9.086 1.00 44.20 O ATOM 1173 C3' DG B 1 28.825 26.430 10.982 1.00 47.79 C ATOM 1174 O3' DG B 1 29.467 27.627 10.548 1.00 52.27 O ATOM 1175 C2' DG B 1 27.408 26.287 10.427 1.00 48.30 C ATOM 1176 C1' DG B 1 27.656 25.717 9.026 1.00 44.90 C ATOM 1177 N9 DG B 1 26.618 24.820 8.506 1.00 40.06 N ATOM 1178 C8 DG B 1 26.130 23.678 9.093 1.00 44.61 C ATOM 1179 N7 DG B 1 25.216 23.064 8.389 1.00 42.92 N ATOM 1180 C5 DG B 1 25.084 23.851 7.248 1.00 43.75 C ATOM 1181 C6 DG B 1 24.246 23.687 6.114 1.00 40.65 C ATOM 1182 O6 DG B 1 23.423 22.790 5.897 1.00 44.03 O ATOM 1183 N1 DG B 1 24.428 24.706 5.175 1.00 39.16 N ATOM 1184 C2 DG B 1 25.313 25.750 5.327 1.00 40.13 C ATOM 1185 N2 DG B 1 25.361 26.654 4.340 1.00 35.83 N ATOM 1186 N3 DG B 1 26.103 25.912 6.387 1.00 38.53 N ATOM 1187 C4 DG B 1 25.946 24.927 7.304 1.00 42.68 C ATOM 1188 P DG B 2 30.303 28.525 11.591 1.00 66.49 P ATOM 1189 OP1 DG B 2 31.171 29.445 10.817 1.00 62.73 O ATOM 1190 OP2 DG B 2 30.907 27.619 12.594 1.00 53.94 O ATOM 1191 O5' DG B 2 29.189 29.426 12.273 1.00 48.64 O ATOM 1192 C5' DG B 2 28.495 30.371 11.492 1.00 59.28 C ATOM 1193 C4' DG B 2 27.341 30.921 12.305 1.00 64.12 C ATOM 1194 O4' DG B 2 26.179 30.088 12.087 1.00 62.38 O ATOM 1195 C3' DG B 2 27.588 30.910 13.809 1.00 58.63 C ATOM 1196 O3' DG B 2 28.200 32.136 14.175 1.00 67.60 O ATOM 1197 C2' DG B 2 26.181 30.778 14.378 1.00 57.62 C ATOM 1198 C1' DG B 2 25.448 29.986 13.291 1.00 54.82 C ATOM 1199 N9 DG B 2 25.250 28.574 13.596 1.00 53.68 N ATOM 1200 C8 DG B 2 26.043 27.501 13.257 1.00 56.53 C ATOM 1201 N7 DG B 2 25.578 26.358 13.687 1.00 52.55 N ATOM 1202 C5 DG B 2 24.402 26.696 14.352 1.00 53.29 C ATOM 1203 C6 DG B 2 23.460 25.886 15.030 1.00 55.04 C ATOM 1204 O6 DG B 2 23.467 24.654 15.181 1.00 52.89 O ATOM 1205 N1 DG B 2 22.416 26.644 15.565 1.00 56.62 N ATOM 1206 C2 DG B 2 22.295 28.011 15.459 1.00 54.83 C ATOM 1207 N2 DG B 2 21.218 28.565 16.040 1.00 52.11 N ATOM 1208 N3 DG B 2 23.173 28.783 14.826 1.00 55.12 N ATOM 1209 C4 DG B 2 24.191 28.056 14.301 1.00 54.51 C ATOM 1210 P DT B 3 28.882 32.309 15.621 1.00 69.33 P ATOM 1211 OP1 DT B 3 30.011 33.257 15.481 1.00 63.13 O ATOM 1212 OP2 DT B 3 29.104 30.959 16.192 1.00 65.18 O ATOM 1213 O5' DT B 3 27.727 32.970 16.499 1.00 70.17 O ATOM 1214 C5' DT B 3 26.850 33.921 15.928 1.00 59.60 C ATOM 1215 C4' DT B 3 25.718 34.188 16.899 1.00 59.97 C ATOM 1216 O4' DT B 3 24.805 33.062 16.934 1.00 58.25 O ATOM 1217 C3' DT B 3 26.178 34.378 18.341 1.00 60.43 C ATOM 1218 O3' DT B 3 25.275 35.233 19.010 1.00 58.90 O ATOM 1219 C2' DT B 3 26.089 32.969 18.908 1.00 54.77 C ATOM 1220 C1' DT B 3 24.818 32.480 18.228 1.00 56.34 C ATOM 1221 N1 DT B 3 24.785 31.002 18.078 1.00 55.26 N ATOM 1222 C2 DT B 3 23.601 30.319 18.297 1.00 53.98 C ATOM 1223 O2 DT B 3 22.547 30.862 18.613 1.00 51.38 O ATOM 1224 N3 DT B 3 23.702 28.960 18.125 1.00 55.49 N ATOM 1225 C4 DT B 3 24.830 28.245 17.765 1.00 56.09 C ATOM 1226 O4 DT B 3 24.805 27.027 17.638 1.00 52.05 O ATOM 1227 C5 DT B 3 26.027 29.023 17.557 1.00 56.85 C ATOM 1228 C7 DT B 3 27.313 28.364 17.163 1.00 58.46 C ATOM 1229 C6 DT B 3 25.948 30.347 17.724 1.00 57.54 C ATOM 1230 P DT B 4 25.658 35.849 20.441 1.00 58.95 P ATOM 1231 OP1 DT B 4 26.000 37.272 20.241 1.00 60.49 O ATOM 1232 OP2 DT B 4 26.643 34.947 21.078 1.00 58.33 O ATOM 1233 O5' DT B 4 24.293 35.756 21.260 1.00 56.71 O ATOM 1234 C5' DT B 4 23.065 36.006 20.599 1.00 51.31 C ATOM 1235 C4' DT B 4 22.007 35.068 21.156 1.00 52.03 C ATOM 1236 O4' DT B 4 22.350 33.699 20.826 1.00 52.87 O ATOM 1237 C3' DT B 4 21.818 35.113 22.672 1.00 48.24 C ATOM 1238 O3' DT B 4 20.429 35.329 22.953 1.00 50.03 O ATOM 1239 C2' DT B 4 22.298 33.730 23.132 1.00 46.39 C ATOM 1240 C1' DT B 4 22.001 32.861 21.913 1.00 51.33 C ATOM 1241 N1 DT B 4 22.766 31.550 21.834 1.00 51.02 N ATOM 1242 C2 DT B 4 22.115 30.327 21.974 1.00 53.47 C ATOM 1243 O2 DT B 4 20.916 30.169 22.169 1.00 54.86 O ATOM 1244 N3 DT B 4 22.938 29.234 21.884 1.00 49.43 N ATOM 1245 C4 DT B 4 24.305 29.208 21.672 1.00 53.07 C ATOM 1246 O4 DT B 4 24.946 28.162 21.603 1.00 55.62 O ATOM 1247 C5 DT B 4 24.922 30.497 21.534 1.00 53.82 C ATOM 1248 C7 DT B 4 26.401 30.576 21.301 1.00 58.26 C ATOM 1249 C6 DT B 4 24.137 31.586 21.620 1.00 56.55 C ATOM 1250 P DT B 5 19.965 36.505 23.952 1.00 54.45 P ATOM 1251 OP1 DT B 5 20.474 37.789 23.418 1.00 60.07 O ATOM 1252 OP2 DT B 5 20.258 36.082 25.339 1.00 48.27 O ATOM 1253 O5' DT B 5 18.378 36.512 23.800 1.00 50.89 O ATOM 1254 C5' DT B 5 17.720 37.524 23.080 1.00 49.11 C ATOM 1255 C4' DT B 5 16.319 37.013 22.870 1.00 48.60 C ATOM 1256 O4' DT B 5 16.452 35.757 22.158 1.00 49.38 O ATOM 1257 C3' DT B 5 15.654 36.660 24.191 1.00 47.35 C ATOM 1258 O3' DT B 5 14.860 37.747 24.752 1.00 56.93 O ATOM 1259 C2' DT B 5 14.911 35.344 23.942 1.00 49.21 C ATOM 1260 C1' DT B 5 15.492 34.820 22.628 1.00 49.22 C ATOM 1261 N1 DT B 5 16.103 33.435 22.663 1.00 47.32 N ATOM 1262 C2 DT B 5 15.393 32.408 22.093 1.00 36.93 C ATOM 1263 O2 DT B 5 14.300 32.581 21.590 1.00 42.17 O ATOM 1264 N3 DT B 5 15.992 31.177 22.138 1.00 37.81 N ATOM 1265 C4 DT B 5 17.223 30.871 22.677 1.00 40.99 C ATOM 1266 O4 DT B 5 17.676 29.728 22.661 1.00 39.74 O ATOM 1267 C5 DT B 5 17.922 31.999 23.255 1.00 43.61 C ATOM 1268 C7 DT B 5 19.273 31.818 23.882 1.00 45.30 C ATOM 1269 C6 DT B 5 17.344 33.204 23.217 1.00 43.89 C ATOM 1270 P DC B 6 13.523 38.265 24.019 1.00 48.11 P ATOM 1271 OP1 DC B 6 12.452 38.351 25.034 1.00 53.97 O ATOM 1272 OP2 DC B 6 13.312 37.434 22.822 1.00 56.61 O ATOM 1273 O5' DC B 6 13.903 39.757 23.557 1.00 48.61 O ATOM 1274 C5' DC B 6 14.127 40.089 22.184 1.00 44.07 C ATOM 1275 C4' DC B 6 15.187 41.167 22.061 1.00 42.77 C ATOM 1276 O4' DC B 6 16.473 40.566 21.767 1.00 46.74 O ATOM 1277 C3' DC B 6 14.954 42.161 20.931 1.00 48.14 C ATOM 1278 O3' DC B 6 15.517 43.399 21.291 1.00 41.36 O ATOM 1279 C2' DC B 6 15.696 41.550 19.742 1.00 42.74 C ATOM 1280 C1' DC B 6 16.852 40.836 20.426 1.00 42.97 C ATOM 1281 N1 DC B 6 17.135 39.532 19.843 1.00 44.68 N ATOM 1282 C2 DC B 6 18.433 39.242 19.434 1.00 43.98 C ATOM 1283 O2 DC B 6 19.296 40.119 19.562 1.00 46.88 O ATOM 1284 N3 DC B 6 18.694 38.016 18.911 1.00 34.72 N ATOM 1285 C4 DC B 6 17.709 37.120 18.814 1.00 41.53 C ATOM 1286 N4 DC B 6 17.995 35.923 18.288 1.00 51.81 N ATOM 1287 C5 DC B 6 16.378 37.401 19.241 1.00 46.07 C ATOM 1288 C6 DC B 6 16.135 38.612 19.751 1.00 47.29 C ATOM 1289 P DG B 7 14.955 44.752 20.648 1.00 49.77 P ATOM 1290 OP1 DG B 7 15.668 45.889 21.285 1.00 47.48 O ATOM 1291 OP2 DG B 7 13.479 44.697 20.688 1.00 43.10 O ATOM 1292 O5' DG B 7 15.400 44.649 19.111 1.00 42.88 O ATOM 1293 C5' DG B 7 16.766 44.873 18.800 1.00 43.52 C ATOM 1294 C4' DG B 7 17.050 44.613 17.334 1.00 40.45 C ATOM 1295 O4' DG B 7 17.167 43.188 17.123 1.00 35.72 O ATOM 1296 C3' DG B 7 15.996 45.119 16.345 1.00 44.58 C ATOM 1297 O3' DG B 7 16.658 45.797 15.273 1.00 47.38 O ATOM 1298 C2' DG B 7 15.333 43.833 15.846 1.00 45.34 C ATOM 1299 C1' DG B 7 16.489 42.840 15.936 1.00 38.57 C ATOM 1300 N9 DG B 7 16.083 41.433 15.997 1.00 35.99 N ATOM 1301 C8 DG B 7 14.829 40.931 16.286 1.00 39.40 C ATOM 1302 N7 DG B 7 14.764 39.630 16.266 1.00 34.31 N ATOM 1303 C5 DG B 7 16.048 39.241 15.932 1.00 32.47 C ATOM 1304 C6 DG B 7 16.586 37.945 15.772 1.00 39.21 C ATOM 1305 O6 DG B 7 16.000 36.848 15.884 1.00 33.81 O ATOM 1306 N1 DG B 7 17.944 38.004 15.439 1.00 38.80 N ATOM 1307 C2 DG B 7 18.679 39.156 15.302 1.00 36.14 C ATOM 1308 N2 DG B 7 19.973 39.017 14.983 1.00 38.27 N ATOM 1309 N3 DG B 7 18.185 40.368 15.452 1.00 37.91 N ATOM 1310 C4 DG B 7 16.871 40.334 15.768 1.00 35.83 C ATOM 1311 P DG B 8 15.887 46.926 14.430 1.00 50.78 P ATOM 1312 OP1 DG B 8 16.825 47.456 13.418 1.00 51.65 O ATOM 1313 OP2 DG B 8 15.234 47.848 15.387 1.00 47.35 O ATOM 1314 O5' DG B 8 14.717 46.112 13.694 1.00 48.28 O ATOM 1315 C5' DG B 8 14.983 45.319 12.535 1.00 45.58 C ATOM 1316 C4' DG B 8 13.735 44.564 12.083 1.00 44.46 C ATOM 1317 O4' DG B 8 13.419 43.517 13.034 1.00 43.47 O ATOM 1318 C3' DG B 8 12.447 45.372 11.922 1.00 45.28 C ATOM 1319 O3' DG B 8 11.770 44.951 10.738 1.00 53.57 O ATOM 1320 C2' DG B 8 11.634 44.984 13.150 1.00 45.95 C ATOM 1321 C1' DG B 8 12.031 43.519 13.268 1.00 45.09 C ATOM 1322 N9 DG B 8 11.840 42.877 14.564 1.00 45.01 N ATOM 1323 C8 DG B 8 11.535 41.550 14.774 1.00 40.90 C ATOM 1324 N7 DG B 8 11.433 41.228 16.028 1.00 43.53 N ATOM 1325 C5 DG B 8 11.698 42.416 16.702 1.00 42.19 C ATOM 1326 C6 DG B 8 11.738 42.683 18.091 1.00 42.97 C ATOM 1327 O6 DG B 8 11.533 41.890 19.015 1.00 41.83 O ATOM 1328 N1 DG B 8 12.048 44.016 18.361 1.00 46.61 N ATOM 1329 C2 DG B 8 12.295 44.969 17.395 1.00 45.97 C ATOM 1330 N2 DG B 8 12.585 46.210 17.814 1.00 48.21 N ATOM 1331 N3 DG B 8 12.266 44.728 16.093 1.00 47.54 N ATOM 1332 C4 DG B 8 11.957 43.437 15.818 1.00 43.94 C ATOM 1333 P DT B 9 12.094 45.642 9.321 1.00 55.63 P ATOM 1334 OP1 DT B 9 11.960 47.110 9.483 1.00 51.24 O ATOM 1335 OP2 DT B 9 11.303 44.944 8.289 1.00 53.29 O ATOM 1336 O5' DT B 9 13.640 45.305 9.081 1.00 50.34 O ATOM 1337 C5' DT B 9 14.568 46.328 8.733 1.00 46.79 C ATOM 1338 C4' DT B 9 15.915 45.700 8.436 1.00 51.77 C ATOM 1339 O4' DT B 9 16.118 44.614 9.375 1.00 46.05 O ATOM 1340 C3' DT B 9 16.024 45.062 7.056 1.00 50.38 C ATOM 1341 O3' DT B 9 16.611 45.956 6.126 1.00 61.70 O ATOM 1342 C2' DT B 9 16.954 43.875 7.265 1.00 49.44 C ATOM 1343 C1' DT B 9 16.750 43.515 8.732 1.00 43.72 C ATOM 1344 N1 DT B 9 15.976 42.240 8.930 1.00 42.07 N ATOM 1345 C2 DT B 9 16.683 41.063 8.904 1.00 39.33 C ATOM 1346 O2 DT B 9 17.885 41.012 8.723 1.00 40.89 O ATOM 1347 N3 DT B 9 15.943 39.935 9.097 1.00 36.12 N ATOM 1348 C4 DT B 9 14.587 39.864 9.319 1.00 32.86 C ATOM 1349 O4 DT B 9 14.024 38.790 9.480 1.00 32.39 O ATOM 1350 C5 DT B 9 13.894 41.123 9.339 1.00 42.38 C ATOM 1351 C7 DT B 9 12.411 41.145 9.561 1.00 38.33 C ATOM 1352 C6 DT B 9 14.612 42.244 9.145 1.00 42.27 C TER 1353 DT B 9 HETATM 1354 O HOH A 201 7.854 29.645 23.860 1.00 20.93 O HETATM 1355 O HOH A 202 13.656 26.903 22.277 1.00 27.96 O HETATM 1356 O HOH A 203 17.751 33.949 4.974 1.00 30.17 O HETATM 1357 O HOH A 204 6.439 18.751 4.959 1.00 32.93 O HETATM 1358 O HOH A 205 10.647 32.259 -0.162 1.00 33.54 O HETATM 1359 O HOH A 206 2.518 17.221 15.909 1.00 28.92 O HETATM 1360 O HOH A 207 1.847 19.746 16.865 1.00 25.93 O HETATM 1361 O HOH A 208 5.575 23.825 21.423 1.00 32.33 O HETATM 1362 O HOH A 209 -3.124 28.353 16.904 1.00 32.25 O HETATM 1363 O HOH A 210 15.366 26.136 20.108 1.00 22.63 O HETATM 1364 O HOH A 211 5.455 25.644 -2.779 1.00 22.95 O HETATM 1365 O HOH A 212 21.529 29.402 3.940 1.00 29.49 O HETATM 1366 O HOH A 213 -9.618 23.407 18.131 1.00 44.66 O HETATM 1367 O HOH A 214 10.442 28.800 23.904 1.00 25.62 O HETATM 1368 O HOH A 215 3.781 24.813 1.294 1.00 31.15 O HETATM 1369 O HOH A 216 21.244 27.908 18.822 1.00 49.30 O HETATM 1370 O HOH A 217 2.628 37.032 23.989 1.00 33.75 O HETATM 1371 O HOH A 218 15.456 15.258 2.384 1.00 37.85 O HETATM 1372 O HOH A 219 -3.907 29.707 5.328 1.00 39.76 O HETATM 1373 O HOH A 220 9.145 34.943 5.125 1.00 33.26 O HETATM 1374 O HOH A 221 11.422 38.971 18.986 1.00 32.87 O HETATM 1375 O HOH A 222 18.908 33.118 14.075 1.00 40.42 O HETATM 1376 O HOH A 223 -3.065 20.528 15.919 1.00 31.57 O HETATM 1377 O HOH A 224 -0.612 19.384 17.260 1.00 30.32 O HETATM 1378 O HOH A 225 20.637 33.938 3.433 1.00 35.81 O HETATM 1379 O HOH A 226 4.861 23.777 -4.283 1.00 34.51 O HETATM 1380 O HOH A 227 7.902 26.471 30.695 1.00 33.08 O HETATM 1381 O HOH A 228 -7.070 29.466 19.630 1.00 47.97 O HETATM 1382 O HOH A 229 14.990 18.197 -0.730 1.00 37.20 O HETATM 1383 O HOH A 230 8.157 12.317 15.260 1.00 36.44 O HETATM 1384 O HOH A 231 17.978 10.148 20.224 1.00 38.18 O HETATM 1385 O HOH A 232 7.055 23.901 -5.979 1.00 39.49 O HETATM 1386 O HOH A 233 15.066 39.415 28.876 1.00 39.99 O HETATM 1387 O HOH A 234 -0.971 29.039 7.631 1.00 39.15 O HETATM 1388 O HOH A 235 25.376 22.901 2.044 1.00 57.99 O HETATM 1389 O HOH A 236 0.496 15.395 15.836 1.00 42.69 O HETATM 1390 O HOH A 237 25.408 30.240 5.394 1.00 43.64 O HETATM 1391 O HOH A 238 0.314 7.404 14.997 1.00 46.92 O HETATM 1392 O HOH A 239 0.787 31.129 2.229 1.00 40.14 O HETATM 1393 O HOH A 240 9.351 11.562 11.833 1.00 45.18 O HETATM 1394 O HOH A 241 25.935 21.446 22.941 1.00 42.97 O HETATM 1395 O HOH A 242 10.456 14.358 25.737 1.00 46.25 O HETATM 1396 O HOH A 243 17.726 26.504 31.344 1.00 44.50 O HETATM 1397 O HOH A 244 19.906 9.119 21.688 1.00 44.95 O HETATM 1398 O HOH A 245 10.198 10.592 15.524 1.00 43.24 O HETATM 1399 O HOH A 246 -13.563 28.573 6.474 1.00 45.93 O HETATM 1400 O HOH A 247 -6.043 18.929 15.535 1.00 40.77 O HETATM 1401 O HOH A 248 23.250 28.837 1.493 1.00 42.38 O HETATM 1402 O HOH A 249 12.028 42.855 5.987 1.00 52.45 O HETATM 1403 O HOH A 250 7.809 10.314 5.919 1.00 43.67 O HETATM 1404 O HOH A 251 2.595 20.523 27.810 1.00 38.78 O HETATM 1405 O HOH A 252 15.341 43.821 24.756 1.00 38.78 O HETATM 1406 O HOH A 253 10.052 40.928 12.380 1.00 38.78 O HETATM 1407 O HOH A 254 -8.290 24.161 11.550 1.00 38.78 O HETATM 1408 O HOH A 255 9.001 14.351 3.752 1.00 38.78 O HETATM 1409 O HOH A 256 11.568 11.838 11.499 1.00 38.78 O HETATM 1410 O HOH A 257 7.074 36.599 9.434 1.00 38.78 O HETATM 1411 O HOH A 258 10.977 38.985 14.019 1.00 38.78 O HETATM 1412 O HOH A 259 22.000 39.387 7.398 1.00 38.78 O HETATM 1413 O HOH A 260 -7.435 31.589 30.205 1.00 38.78 O HETATM 1414 O HOH A 261 19.046 18.702 8.438 1.00 38.78 O HETATM 1415 O HOH A 262 9.650 39.176 11.434 1.00 38.78 O HETATM 1416 O HOH A 263 -6.938 28.985 5.496 1.00 38.78 O HETATM 1417 O HOH A 264 3.098 22.487 30.314 1.00 38.78 O HETATM 1418 O HOH A 265 25.600 18.695 21.865 1.00 38.78 O HETATM 1419 O HOH A 266 9.886 8.787 5.714 1.00 38.78 O HETATM 1420 O HOH A 267 9.144 13.261 -0.989 1.00 38.78 O HETATM 1421 O HOH A 268 6.852 39.517 8.768 1.00 38.78 O HETATM 1422 O HOH A 269 13.854 21.379 32.021 1.00 38.78 O HETATM 1423 O HOH A 270 -4.786 17.041 16.735 1.00 38.78 O HETATM 1424 O HOH A 271 13.001 39.038 2.853 1.00 38.78 O HETATM 1425 O HOH A 272 21.231 11.625 9.012 1.00 38.78 O HETATM 1426 O HOH A 273 4.122 18.044 3.270 1.00 38.78 O HETATM 1427 O HOH A 274 19.088 16.436 6.818 1.00 38.78 O HETATM 1428 O HOH A 275 0.353 5.853 12.971 1.00 38.78 O HETATM 1429 O HOH A 276 -0.075 17.131 6.436 1.00 38.78 O HETATM 1430 O HOH A 277 26.799 16.602 0.863 1.00 38.78 O HETATM 1431 O HOH A 278 25.600 18.784 2.921 1.00 38.78 O HETATM 1432 O HOH B 101 12.110 37.548 20.420 1.00 30.93 O HETATM 1433 O HOH B 102 19.783 36.195 14.790 1.00 38.65 O HETATM 1434 O HOH B 103 10.288 38.484 25.355 1.00 40.98 O HETATM 1435 O HOH B 104 17.782 27.471 21.234 1.00 36.49 O HETATM 1436 O HOH B 105 11.567 37.833 9.344 1.00 34.69 O HETATM 1437 O HOH B 106 21.077 32.825 18.954 1.00 53.00 O HETATM 1438 O HOH B 107 16.098 39.254 26.802 1.00 43.94 O HETATM 1439 O HOH B 108 10.777 38.558 6.523 1.00 36.01 O HETATM 1440 O HOH B 109 30.920 33.418 12.859 1.00 57.19 O HETATM 1441 O HOH B 110 27.767 27.575 2.241 1.00 38.78 O HETATM 1442 O HOH B 111 23.259 38.935 22.891 1.00 38.78 O HETATM 1443 O HOH B 112 12.668 42.370 20.857 1.00 38.78 O HETATM 1444 O HOH B 113 29.015 23.942 6.599 1.00 38.78 O HETATM 1445 O HOH B 114 21.197 38.554 21.441 1.00 38.78 O HETATM 1446 O HOH B 115 25.987 29.398 1.549 1.00 38.78 O MASTER 299 0 0 5 7 0 0 6 1441 2 0 12 END
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Related entries of code: 4hj5
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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143aa, >4HID_1|Chain... *
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4hj5
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Protection of telomeres protein 1, Pot1pC
Ligand Name
9-mer ssDNA (GGTTTCGGT) A5T
EC.Number
E.C.-.-.-.-
Resolution
2.04(Å)
Affinity (Kd/Ki/IC50)
Kd=63nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 121-132
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O13988
Entrez Gene ID
NCBI Entrez Gene ID:
2542703
ASD
Information of known allosteric effects of PDB entries
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