Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN 11-OCT-12 4HIK TITLE CRYSTAL STRUCTURE OF SCHIZOSACCHAROMYCES POMBE POT1PC BOUND TO SSDNA TITLE 2 (GGTTACGGT) 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*AP*CP*GP*GP*T)-3'); COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 OTHER_DETAILS: TELOMERIC SINGLE-STRANDED DNA 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 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 4HIK 1 REMARK REVDAT 2 27-FEB-13 4HIK 1 JRNL REVDAT 1 12-DEC-12 4HIK 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. 1.64 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) : 1.64 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.35 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.050 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 3 NUMBER OF REFLECTIONS : 21007 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.195 REMARK 3 R VALUE (WORKING SET) : 0.194 REMARK 3 FREE R VALUE : 0.216 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1051 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 35.3567 - 3.2706 0.99 2702 143 0.1847 0.1979 REMARK 3 2 3.2706 - 2.5963 1.00 2591 137 0.2071 0.2261 REMARK 3 3 2.5963 - 2.2681 1.00 2585 135 0.1986 0.2238 REMARK 3 4 2.2681 - 2.0608 0.99 2533 134 0.1875 0.2147 REMARK 3 5 2.0608 - 1.9131 0.98 2503 131 0.1752 0.1840 REMARK 3 6 1.9131 - 1.8003 0.98 2482 131 0.1852 0.2213 REMARK 3 7 1.8003 - 1.7101 0.95 2439 129 0.2070 0.2574 REMARK 3 8 1.7101 - 1.6357 0.84 2121 111 0.2376 0.2890 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 : 0.36 REMARK 3 B_SOL : 31.90 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.190 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.500 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.41 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 4.05680 REMARK 3 B22 (A**2) : -3.08540 REMARK 3 B33 (A**2) : -2.95140 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 : 0.006 1413 REMARK 3 ANGLE : 1.058 1949 REMARK 3 CHIRALITY : 0.075 202 REMARK 3 PLANARITY : 0.004 215 REMARK 3 DIHEDRAL : 15.952 536 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 4HIK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-OCT-12. REMARK 100 THE DEPOSITION ID IS D_1000075510. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-OCT-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.2.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9799, 0.9801, 0.9428 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL, SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK, HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : 1.636 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 (%) : 99.1 REMARK 200 DATA REDUNDANCY : 4.500 REMARK 200 R MERGE (I) : 0.04100 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 26.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.64 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.67 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.8 REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 REMARK 200 R MERGE FOR SHELL (I) : 0.13400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SNB REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.93 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% W/V PEG 4000, 0.2M AMMONIUM REMARK 280 FORMATE, PH 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 22.43500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.08500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.69500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.08500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.43500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.69500 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: 2070 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8660 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 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 MSE A 1 REMARK 465 SER A 2 REMARK 465 ASP A 3 REMARK 465 GLN A 142 REMARK 465 ASN A 143 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 HOH A 338 O HOH A 340 2.01 REMARK 500 O HOH A 210 O HOH A 333 2.15 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 ASP A 73 -131.53 56.22 REMARK 500 TYR A 82 -56.05 -130.33 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: 4HIK 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: 4HJ5 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 4HIK A 2 143 UNP O13988 POT1_SCHPO 198 339 DBREF 4HIK B 1 9 PDB 4HIK 4HIK 1 9 SEQADV 4HIK MSE A 1 UNP O13988 EXPRESSION TAG SEQADV 4HIK ASP A 3 UNP O13988 VAL 199 ENGINEERED MUTATION SEQRES 1 A 143 MSE 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 MSE 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 MSE 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 MSE 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 DA DC DG DG DT MODRES 4HIK MSE A 49 MET SELENOMETHIONINE MODRES 4HIK MSE A 91 MET SELENOMETHIONINE MODRES 4HIK MSE A 118 MET SELENOMETHIONINE HET MSE A 49 8 HET MSE A 91 8 HET MSE A 118 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 3 HOH *175(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 GLU A 127 GLU A 129 5 3 HELIX 4 4 LEU A 130 ARG A 138 1 9 HELIX 5 5 LEU A 139 VAL A 141 5 3 SHEET 1 A 7 SER A 119 VAL A 123 0 SHEET 2 A 7 TYR A 88 ILE A 98 -1 N LYS A 92 O SER A 119 SHEET 3 A 7 LEU A 104 LEU A 108 -1 O ILE A 107 N ARG A 95 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 ILE A 24 O TYR A 36 SHEET 7 A 7 TYR A 88 ILE A 98 -1 O VAL A 89 N ALA A 21 LINK C PRO A 48 N MSE A 49 1555 1555 1.33 LINK C MSE A 49 N SER A 50 1555 1555 1.33 LINK C VAL A 90 N MSE A 91 1555 1555 1.33 LINK C MSE A 91 N LYS A 92 1555 1555 1.33 LINK C ASN A 117 N MSE A 118 1555 1555 1.33 LINK C MSE A 118 N SER A 119 1555 1555 1.32 CISPEP 1 GLY A 60 PRO A 61 0 -0.75 CRYST1 44.870 57.390 66.170 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 0.022287 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017425 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015113 0.00000 ATOM 1 N SER A 4 7.601 7.534 13.737 1.00 28.42 N ATOM 2 CA SER A 4 6.448 8.007 14.492 1.00 26.78 C ATOM 3 C SER A 4 6.671 9.450 14.927 1.00 21.58 C ATOM 4 O SER A 4 7.790 9.958 14.848 1.00 20.57 O ATOM 5 CB SER A 4 6.224 7.135 15.723 1.00 30.58 C ATOM 6 OG SER A 4 7.268 7.320 16.662 1.00 32.72 O ATOM 7 N PHE A 5 5.603 10.100 15.378 1.00 18.66 N ATOM 8 CA PHE A 5 5.702 11.461 15.895 1.00 16.96 C ATOM 9 C PHE A 5 5.966 11.472 17.394 1.00 16.35 C ATOM 10 O PHE A 5 5.477 10.614 18.135 1.00 18.57 O ATOM 11 CB PHE A 5 4.436 12.259 15.584 1.00 17.48 C ATOM 12 CG PHE A 5 4.271 12.594 14.127 1.00 19.02 C ATOM 13 CD1 PHE A 5 3.415 11.853 13.324 1.00 20.34 C ATOM 14 CD2 PHE A 5 4.977 13.645 13.558 1.00 19.22 C ATOM 15 CE1 PHE A 5 3.265 12.161 11.975 1.00 21.36 C ATOM 16 CE2 PHE A 5 4.836 13.953 12.220 1.00 19.83 C ATOM 17 CZ PHE A 5 3.979 13.213 11.425 1.00 21.23 C ATOM 18 N SER A 6 6.749 12.450 17.831 1.00 12.97 N ATOM 19 CA SER A 6 7.023 12.662 19.246 1.00 12.66 C ATOM 20 C SER A 6 6.470 14.016 19.677 1.00 14.16 C ATOM 21 O SER A 6 6.362 14.939 18.866 1.00 15.05 O ATOM 22 CB SER A 6 8.530 12.661 19.491 1.00 14.90 C ATOM 23 OG SER A 6 9.136 11.455 19.065 1.00 18.47 O ATOM 24 N LEU A 7 6.124 14.139 20.954 1.00 11.07 N ATOM 25 CA LEU A 7 5.905 15.456 21.533 1.00 11.98 C ATOM 26 C LEU A 7 7.281 16.012 21.803 1.00 11.70 C ATOM 27 O LEU A 7 8.244 15.257 21.912 1.00 10.62 O ATOM 28 CB LEU A 7 5.146 15.354 22.849 1.00 12.90 C ATOM 29 CG LEU A 7 3.730 14.793 22.778 1.00 14.90 C ATOM 30 CD1 LEU A 7 3.180 14.732 24.200 1.00 16.67 C ATOM 31 CD2 LEU A 7 2.836 15.652 21.884 1.00 15.10 C ATOM 32 N LEU A 8 7.394 17.332 21.921 1.00 11.58 N ATOM 33 CA LEU A 8 8.706 17.920 22.117 1.00 11.39 C ATOM 34 C LEU A 8 9.298 17.544 23.470 1.00 10.57 C ATOM 35 O LEU A 8 10.511 17.492 23.623 1.00 12.18 O ATOM 36 CB LEU A 8 8.667 19.436 21.908 1.00 12.25 C ATOM 37 CG LEU A 8 8.648 19.856 20.433 1.00 14.54 C ATOM 38 CD1 LEU A 8 8.760 21.355 20.320 1.00 14.06 C ATOM 39 CD2 LEU A 8 9.790 19.179 19.674 1.00 15.34 C ATOM 40 N SER A 9 8.434 17.245 24.435 1.00 11.58 N ATOM 41 CA SER A 9 8.886 16.799 25.751 1.00 13.21 C ATOM 42 C SER A 9 9.560 15.432 25.687 1.00 12.61 C ATOM 43 O SER A 9 10.262 15.029 26.620 1.00 13.46 O ATOM 44 CB SER A 9 7.698 16.719 26.706 1.00 14.43 C ATOM 45 OG SER A 9 6.728 15.814 26.199 1.00 13.95 O ATOM 46 N GLN A 10 9.330 14.713 24.592 1.00 11.71 N ATOM 47 CA GLN A 10 9.813 13.344 24.465 1.00 13.38 C ATOM 48 C GLN A 10 11.113 13.231 23.685 1.00 14.37 C ATOM 49 O GLN A 10 11.767 12.185 23.720 1.00 16.21 O ATOM 50 CB GLN A 10 8.744 12.464 23.805 1.00 16.35 C ATOM 51 CG GLN A 10 7.441 12.375 24.593 1.00 19.72 C ATOM 52 CD GLN A 10 6.328 11.672 23.830 1.00 23.13 C ATOM 53 OE1 GLN A 10 6.230 11.772 22.606 1.00 20.40 O ATOM 54 NE2 GLN A 10 5.472 10.956 24.561 1.00 26.20 N ATOM 55 N ILE A 11 11.493 14.288 22.972 1.00 13.86 N ATOM 56 CA ILE A 11 12.689 14.185 22.150 1.00 14.65 C ATOM 57 C ILE A 11 13.976 14.225 22.974 1.00 14.27 C ATOM 58 O ILE A 11 14.054 14.873 24.025 1.00 14.16 O ATOM 59 CB ILE A 11 12.722 15.207 20.981 1.00 16.82 C ATOM 60 CG1 ILE A 11 12.957 16.622 21.489 1.00 17.69 C ATOM 61 CG2 ILE A 11 11.444 15.120 20.144 1.00 16.91 C ATOM 62 CD1 ILE A 11 13.290 17.602 20.368 1.00 18.32 C ATOM 63 N THR A 12 14.981 13.508 22.484 1.00 14.16 N ATOM 64 CA THR A 12 16.269 13.436 23.137 1.00 15.05 C ATOM 65 C THR A 12 17.354 13.725 22.108 1.00 14.82 C ATOM 66 O THR A 12 17.099 13.693 20.902 1.00 14.63 O ATOM 67 CB THR A 12 16.487 12.041 23.749 1.00 20.36 C ATOM 68 OG1 THR A 12 16.327 11.058 22.728 1.00 22.21 O ATOM 69 CG2 THR A 12 15.467 11.780 24.852 1.00 21.68 C ATOM 70 N PRO A 13 18.572 14.012 22.572 1.00 14.81 N ATOM 71 CA PRO A 13 19.640 14.387 21.645 1.00 15.39 C ATOM 72 C PRO A 13 20.093 13.224 20.761 1.00 14.45 C ATOM 73 O PRO A 13 20.027 12.048 21.148 1.00 14.03 O ATOM 74 CB PRO A 13 20.786 14.787 22.574 1.00 17.53 C ATOM 75 CG PRO A 13 20.152 15.010 23.911 1.00 17.64 C ATOM 76 CD PRO A 13 19.008 14.079 23.978 1.00 16.66 C ATOM 77 N HIS A 14 20.558 13.580 19.573 1.00 11.41 N ATOM 78 CA HIS A 14 21.209 12.643 18.659 1.00 12.16 C ATOM 79 C HIS A 14 20.293 11.529 18.193 1.00 13.49 C ATOM 80 O HIS A 14 20.676 10.357 18.114 1.00 15.23 O ATOM 81 CB HIS A 14 22.505 12.139 19.269 1.00 13.81 C ATOM 82 CG HIS A 14 23.418 13.253 19.664 1.00 14.68 C ATOM 83 ND1 HIS A 14 23.825 13.466 20.960 1.00 16.67 N ATOM 84 CD2 HIS A 14 23.957 14.256 18.927 1.00 15.67 C ATOM 85 CE1 HIS A 14 24.602 14.536 21.004 1.00 16.12 C ATOM 86 NE2 HIS A 14 24.698 15.029 19.780 1.00 16.00 N ATOM 87 N GLN A 15 19.075 11.930 17.854 1.00 13.45 N ATOM 88 CA GLN A 15 18.124 11.031 17.247 1.00 14.84 C ATOM 89 C GLN A 15 17.465 11.709 16.058 1.00 15.39 C ATOM 90 O GLN A 15 17.613 12.925 15.844 1.00 14.11 O ATOM 91 CB GLN A 15 17.066 10.593 18.260 1.00 17.58 C ATOM 92 CG GLN A 15 16.104 11.684 18.667 1.00 19.67 C ATOM 93 CD GLN A 15 14.966 11.166 19.531 1.00 23.16 C ATOM 94 OE1 GLN A 15 14.166 11.945 20.054 1.00 23.13 O ATOM 95 NE2 GLN A 15 14.888 9.842 19.685 1.00 24.60 N ATOM 96 N ARG A 16 16.769 10.899 15.272 1.00 13.46 N ATOM 97 CA ARG A 16 15.888 11.377 14.225 1.00 15.58 C ATOM 98 C ARG A 16 14.484 11.416 14.822 1.00 15.82 C ATOM 99 O ARG A 16 14.066 10.472 15.502 1.00 16.62 O ATOM 100 CB ARG A 16 15.946 10.402 13.040 1.00 19.82 C ATOM 101 CG ARG A 16 14.793 10.493 12.050 1.00 22.82 C ATOM 102 CD ARG A 16 15.023 9.562 10.848 1.00 23.44 C ATOM 103 NE ARG A 16 14.970 8.138 11.196 1.00 25.35 N ATOM 104 CZ ARG A 16 13.877 7.383 11.108 1.00 26.23 C ATOM 105 NH1 ARG A 16 12.735 7.910 10.685 1.00 25.65 N ATOM 106 NH2 ARG A 16 13.922 6.099 11.440 1.00 24.56 N ATOM 107 N CYS A 17 13.760 12.508 14.606 1.00 13.92 N ATOM 108 CA CYS A 17 12.404 12.606 15.137 1.00 13.29 C ATOM 109 C CYS A 17 11.490 13.400 14.226 1.00 12.43 C ATOM 110 O CYS A 17 11.944 14.032 13.264 1.00 13.48 O ATOM 111 CB CYS A 17 12.393 13.204 16.546 1.00 14.73 C ATOM 112 SG CYS A 17 12.973 14.903 16.604 1.00 20.67 S ATOM 113 N SER A 18 10.195 13.327 14.520 1.00 12.02 N ATOM 114 CA SER A 18 9.176 14.048 13.768 1.00 10.82 C ATOM 115 C SER A 18 8.186 14.615 14.767 1.00 10.54 C ATOM 116 O SER A 18 7.911 13.993 15.800 1.00 11.08 O ATOM 117 CB SER A 18 8.457 13.110 12.797 1.00 10.51 C ATOM 118 OG SER A 18 9.374 12.460 11.936 1.00 10.95 O ATOM 119 N PHE A 19 7.656 15.798 14.476 1.00 10.38 N ATOM 120 CA PHE A 19 6.726 16.441 15.401 1.00 9.25 C ATOM 121 C PHE A 19 5.931 17.556 14.748 1.00 11.10 C ATOM 122 O PHE A 19 6.332 18.108 13.719 1.00 12.10 O ATOM 123 CB PHE A 19 7.467 16.984 16.641 1.00 10.94 C ATOM 124 CG PHE A 19 8.617 17.897 16.315 1.00 11.38 C ATOM 125 CD1 PHE A 19 8.391 19.226 16.001 1.00 9.74 C ATOM 126 CD2 PHE A 19 9.919 17.422 16.313 1.00 11.23 C ATOM 127 CE1 PHE A 19 9.453 20.070 15.691 1.00 11.63 C ATOM 128 CE2 PHE A 19 10.982 18.255 16.008 1.00 12.09 C ATOM 129 CZ PHE A 19 10.744 19.585 15.700 1.00 12.32 C ATOM 130 N TYR A 20 4.796 17.873 15.363 1.00 10.83 N ATOM 131 CA TYR A 20 4.013 19.043 15.012 1.00 11.00 C ATOM 132 C TYR A 20 4.383 20.142 15.985 1.00 10.45 C ATOM 133 O TYR A 20 4.665 19.864 17.150 1.00 10.17 O ATOM 134 CB TYR A 20 2.523 18.743 15.160 1.00 11.01 C ATOM 135 CG TYR A 20 2.001 17.827 14.086 1.00 12.92 C ATOM 136 CD1 TYR A 20 1.510 18.341 12.903 1.00 13.35 C ATOM 137 CD2 TYR A 20 2.004 16.448 14.261 1.00 17.54 C ATOM 138 CE1 TYR A 20 1.035 17.514 11.910 1.00 17.14 C ATOM 139 CE2 TYR A 20 1.531 15.607 13.265 1.00 19.62 C ATOM 140 CZ TYR A 20 1.046 16.152 12.096 1.00 20.92 C ATOM 141 OH TYR A 20 0.567 15.339 11.090 1.00 23.44 O ATOM 142 N ALA A 21 4.404 21.386 15.513 1.00 9.30 N ATOM 143 CA ALA A 21 4.745 22.500 16.396 1.00 9.28 C ATOM 144 C ALA A 21 4.240 23.820 15.848 1.00 10.66 C ATOM 145 O ALA A 21 3.887 23.919 14.680 1.00 11.10 O ATOM 146 CB ALA A 21 6.251 22.572 16.601 1.00 9.85 C ATOM 147 N GLN A 22 4.212 24.838 16.701 1.00 8.67 N ATOM 148 CA GLN A 22 3.935 26.187 16.233 1.00 9.75 C ATOM 149 C GLN A 22 5.226 26.996 16.227 1.00 9.03 C ATOM 150 O GLN A 22 6.027 26.906 17.165 1.00 9.82 O ATOM 151 CB GLN A 22 2.897 26.872 17.129 1.00 9.66 C ATOM 152 CG GLN A 22 2.418 28.192 16.545 1.00 12.26 C ATOM 153 CD GLN A 22 1.261 28.805 17.303 1.00 15.06 C ATOM 154 OE1 GLN A 22 1.085 28.571 18.500 1.00 16.11 O ATOM 155 NE2 GLN A 22 0.457 29.602 16.602 1.00 17.05 N ATOM 156 N VAL A 23 5.428 27.773 15.164 1.00 7.67 N ATOM 157 CA VAL A 23 6.588 28.645 15.034 1.00 7.13 C ATOM 158 C VAL A 23 6.402 29.911 15.867 1.00 8.29 C ATOM 159 O VAL A 23 5.423 30.647 15.683 1.00 10.67 O ATOM 160 CB VAL A 23 6.802 29.041 13.554 1.00 7.11 C ATOM 161 CG1 VAL A 23 7.991 29.972 13.429 1.00 6.93 C ATOM 162 CG2 VAL A 23 6.995 27.801 12.725 1.00 9.63 C ATOM 163 N ILE A 24 7.342 30.174 16.769 1.00 8.01 N ATOM 164 CA ILE A 24 7.252 31.331 17.662 1.00 8.63 C ATOM 165 C ILE A 24 8.099 32.482 17.123 1.00 9.74 C ATOM 166 O ILE A 24 7.694 33.642 17.168 1.00 11.36 O ATOM 167 CB ILE A 24 7.731 30.989 19.079 1.00 9.68 C ATOM 168 CG1 ILE A 24 6.831 29.914 19.698 1.00 13.39 C ATOM 169 CG2 ILE A 24 7.743 32.221 19.975 1.00 11.91 C ATOM 170 CD1 ILE A 24 5.377 30.354 19.847 1.00 16.22 C ATOM 171 N LYS A 25 9.271 32.144 16.596 1.00 8.75 N ATOM 172 CA LYS A 25 10.230 33.150 16.154 1.00 8.04 C ATOM 173 C LYS A 25 10.993 32.617 14.955 1.00 10.03 C ATOM 174 O LYS A 25 11.302 31.434 14.893 1.00 10.27 O ATOM 175 CB LYS A 25 11.212 33.466 17.290 1.00 9.52 C ATOM 176 CG LYS A 25 12.426 34.330 16.892 1.00 9.19 C ATOM 177 CD LYS A 25 13.325 34.561 18.120 1.00 11.08 C ATOM 178 CE LYS A 25 14.641 35.271 17.799 1.00 13.31 C ATOM 179 NZ LYS A 25 14.442 36.730 17.626 1.00 13.23 N ATOM 180 N THR A 26 11.292 33.498 14.003 1.00 7.86 N ATOM 181 CA THR A 26 12.144 33.141 12.885 1.00 9.79 C ATOM 182 C THR A 26 13.292 34.132 12.836 1.00 9.82 C ATOM 183 O THR A 26 13.154 35.287 13.247 1.00 9.79 O ATOM 184 CB THR A 26 11.395 33.222 11.540 1.00 10.12 C ATOM 185 OG1 THR A 26 10.915 34.556 11.339 1.00 11.41 O ATOM 186 CG2 THR A 26 10.205 32.286 11.525 1.00 11.38 C ATOM 187 N TRP A 27 14.433 33.683 12.341 1.00 8.53 N ATOM 188 CA TRP A 27 15.539 34.596 12.109 1.00 9.40 C ATOM 189 C TRP A 27 16.288 34.147 10.869 1.00 10.05 C ATOM 190 O TRP A 27 16.776 33.013 10.809 1.00 9.58 O ATOM 191 CB TRP A 27 16.499 34.634 13.308 1.00 9.28 C ATOM 192 CG TRP A 27 17.628 35.606 13.080 1.00 9.02 C ATOM 193 CD1 TRP A 27 18.904 35.315 12.691 1.00 11.63 C ATOM 194 CD2 TRP A 27 17.557 37.032 13.189 1.00 11.06 C ATOM 195 NE1 TRP A 27 19.640 36.472 12.569 1.00 11.05 N ATOM 196 CE2 TRP A 27 18.831 37.545 12.863 1.00 10.05 C ATOM 197 CE3 TRP A 27 16.543 37.929 13.536 1.00 12.93 C ATOM 198 CZ2 TRP A 27 19.120 38.904 12.871 1.00 10.44 C ATOM 199 CZ3 TRP A 27 16.830 39.291 13.549 1.00 14.35 C ATOM 200 CH2 TRP A 27 18.107 39.762 13.216 1.00 12.33 C ATOM 201 N TYR A 28 16.373 35.021 9.871 1.00 9.60 N ATOM 202 CA TYR A 28 17.146 34.677 8.682 1.00 10.54 C ATOM 203 C TYR A 28 18.539 35.297 8.732 1.00 10.20 C ATOM 204 O TYR A 28 18.741 36.379 9.298 1.00 10.70 O ATOM 205 CB TYR A 28 16.419 35.066 7.383 1.00 9.93 C ATOM 206 CG TYR A 28 16.134 36.545 7.232 1.00 11.72 C ATOM 207 CD1 TYR A 28 17.095 37.414 6.721 1.00 12.98 C ATOM 208 CD2 TYR A 28 14.890 37.067 7.564 1.00 13.82 C ATOM 209 CE1 TYR A 28 16.827 38.769 6.565 1.00 14.14 C ATOM 210 CE2 TYR A 28 14.617 38.418 7.420 1.00 15.65 C ATOM 211 CZ TYR A 28 15.591 39.262 6.923 1.00 17.06 C ATOM 212 OH TYR A 28 15.311 40.605 6.782 1.00 20.34 O ATOM 213 N SER A 29 19.502 34.587 8.154 1.00 11.60 N ATOM 214 CA SER A 29 20.846 35.125 7.983 1.00 14.37 C ATOM 215 C SER A 29 21.361 34.710 6.613 1.00 14.10 C ATOM 216 O SER A 29 20.681 33.984 5.874 1.00 12.59 O ATOM 217 CB SER A 29 21.780 34.605 9.073 1.00 14.88 C ATOM 218 OG SER A 29 22.211 33.293 8.765 1.00 16.09 O ATOM 219 N ASP A 30 22.563 35.160 6.266 1.00 16.81 N ATOM 220 CA ASP A 30 23.153 34.763 4.989 1.00 20.23 C ATOM 221 C ASP A 30 23.723 33.341 5.008 1.00 20.61 C ATOM 222 O ASP A 30 24.209 32.848 3.990 1.00 20.52 O ATOM 223 CB ASP A 30 24.209 35.774 4.514 1.00 26.96 C ATOM 224 CG ASP A 30 25.298 36.032 5.546 1.00 34.44 C ATOM 225 OD1 ASP A 30 25.459 35.225 6.488 1.00 36.45 O ATOM 226 OD2 ASP A 30 26.010 37.052 5.401 1.00 38.38 O ATOM 227 N LYS A 31 23.638 32.676 6.156 1.00 17.80 N ATOM 228 CA LYS A 31 24.188 31.330 6.306 1.00 20.71 C ATOM 229 C LYS A 31 23.119 30.249 6.479 1.00 17.09 C ATOM 230 O LYS A 31 23.322 29.093 6.095 1.00 14.33 O ATOM 231 CB LYS A 31 25.165 31.290 7.483 1.00 27.38 C ATOM 232 CG LYS A 31 26.384 32.182 7.294 1.00 32.84 C ATOM 233 CD LYS A 31 27.136 31.821 6.015 1.00 36.81 C ATOM 234 CE LYS A 31 28.386 32.679 5.839 1.00 39.73 C ATOM 235 NZ LYS A 31 28.058 34.118 5.624 1.00 41.42 N ATOM 236 N ASN A 32 21.988 30.627 7.063 1.00 13.71 N ATOM 237 CA ASN A 32 20.943 29.667 7.391 1.00 11.60 C ATOM 238 C ASN A 32 19.625 30.354 7.751 1.00 10.90 C ATOM 239 O ASN A 32 19.525 31.585 7.705 1.00 10.99 O ATOM 240 CB ASN A 32 21.407 28.735 8.519 1.00 12.20 C ATOM 241 CG ASN A 32 21.850 29.491 9.757 1.00 14.99 C ATOM 242 OD1 ASN A 32 21.310 30.543 10.079 1.00 16.81 O ATOM 243 ND2 ASN A 32 22.842 28.956 10.454 1.00 17.50 N ATOM 244 N PHE A 33 18.614 29.546 8.073 1.00 8.70 N ATOM 245 CA PHE A 33 17.326 30.051 8.543 1.00 8.34 C ATOM 246 C PHE A 33 17.030 29.371 9.865 1.00 9.16 C ATOM 247 O PHE A 33 17.168 28.159 9.985 1.00 10.25 O ATOM 248 CB PHE A 33 16.215 29.759 7.525 1.00 7.81 C ATOM 249 CG PHE A 33 14.909 30.445 7.833 1.00 9.61 C ATOM 250 CD1 PHE A 33 14.852 31.820 7.995 1.00 10.14 C ATOM 251 CD2 PHE A 33 13.733 29.709 7.958 1.00 10.00 C ATOM 252 CE1 PHE A 33 13.644 32.457 8.280 1.00 11.32 C ATOM 253 CE2 PHE A 33 12.529 30.344 8.240 1.00 10.07 C ATOM 254 CZ PHE A 33 12.485 31.715 8.402 1.00 10.53 C ATOM 255 N THR A 34 16.638 30.157 10.860 1.00 6.84 N ATOM 256 CA THR A 34 16.366 29.621 12.195 1.00 7.64 C ATOM 257 C THR A 34 14.895 29.735 12.553 1.00 6.57 C ATOM 258 O THR A 34 14.265 30.772 12.335 1.00 7.36 O ATOM 259 CB THR A 34 17.172 30.378 13.254 1.00 10.97 C ATOM 260 OG1 THR A 34 18.565 30.272 12.945 1.00 13.75 O ATOM 261 CG2 THR A 34 16.906 29.793 14.668 1.00 10.71 C ATOM 262 N LEU A 35 14.341 28.660 13.107 1.00 7.80 N ATOM 263 CA LEU A 35 12.992 28.680 13.650 1.00 8.25 C ATOM 264 C LEU A 35 13.093 28.385 15.132 1.00 9.03 C ATOM 265 O LEU A 35 13.964 27.628 15.556 1.00 12.22 O ATOM 266 CB LEU A 35 12.135 27.574 13.026 1.00 9.57 C ATOM 267 CG LEU A 35 12.019 27.485 11.511 1.00 11.76 C ATOM 268 CD1 LEU A 35 11.172 26.269 11.146 1.00 15.05 C ATOM 269 CD2 LEU A 35 11.406 28.757 10.957 1.00 11.68 C ATOM 270 N TYR A 36 12.220 28.998 15.918 1.00 6.98 N ATOM 271 CA TYR A 36 12.019 28.586 17.302 1.00 8.66 C ATOM 272 C TYR A 36 10.599 28.081 17.364 1.00 7.45 C ATOM 273 O TYR A 36 9.665 28.808 17.007 1.00 9.29 O ATOM 274 CB TYR A 36 12.182 29.764 18.266 1.00 9.05 C ATOM 275 CG TYR A 36 13.586 30.299 18.330 1.00 11.66 C ATOM 276 CD1 TYR A 36 14.106 31.040 17.283 1.00 9.70 C ATOM 277 CD2 TYR A 36 14.391 30.074 19.443 1.00 16.44 C ATOM 278 CE1 TYR A 36 15.391 31.536 17.329 1.00 12.43 C ATOM 279 CE2 TYR A 36 15.683 30.571 19.495 1.00 17.50 C ATOM 280 CZ TYR A 36 16.175 31.293 18.428 1.00 17.80 C ATOM 281 OH TYR A 36 17.456 31.797 18.454 1.00 21.57 O ATOM 282 N VAL A 37 10.434 26.827 17.778 1.00 8.33 N ATOM 283 CA VAL A 37 9.133 26.179 17.734 1.00 8.14 C ATOM 284 C VAL A 37 8.747 25.566 19.083 1.00 9.21 C ATOM 285 O VAL A 37 9.606 25.232 19.899 1.00 10.28 O ATOM 286 CB VAL A 37 9.053 25.116 16.614 1.00 7.30 C ATOM 287 CG1 VAL A 37 9.499 25.724 15.283 1.00 9.69 C ATOM 288 CG2 VAL A 37 9.889 23.866 16.955 1.00 8.67 C ATOM 289 N THR A 38 7.443 25.437 19.302 1.00 8.70 N ATOM 290 CA THR A 38 6.930 24.900 20.557 1.00 8.22 C ATOM 291 C THR A 38 5.717 24.040 20.266 1.00 8.73 C ATOM 292 O THR A 38 5.019 24.261 19.284 1.00 10.14 O ATOM 293 CB THR A 38 6.499 26.031 21.519 1.00 8.25 C ATOM 294 OG1 THR A 38 6.098 25.472 22.775 1.00 9.56 O ATOM 295 CG2 THR A 38 5.328 26.813 20.956 1.00 9.84 C ATOM 296 N ASP A 39 5.461 23.062 21.125 1.00 8.13 N ATOM 297 CA ASP A 39 4.170 22.382 21.100 1.00 10.09 C ATOM 298 C ASP A 39 3.546 22.467 22.495 1.00 10.49 C ATOM 299 O ASP A 39 2.618 21.723 22.841 1.00 11.33 O ATOM 300 CB ASP A 39 4.291 20.939 20.578 1.00 10.88 C ATOM 301 CG ASP A 39 4.977 19.998 21.559 1.00 12.39 C ATOM 302 OD1 ASP A 39 5.462 20.456 22.615 1.00 12.35 O ATOM 303 OD2 ASP A 39 5.029 18.776 21.262 1.00 14.07 O ATOM 304 N TYR A 40 4.071 23.403 23.279 1.00 11.24 N ATOM 305 CA TYR A 40 3.610 23.657 24.647 1.00 12.65 C ATOM 306 C TYR A 40 3.750 22.445 25.570 1.00 13.19 C ATOM 307 O TYR A 40 2.942 22.234 26.479 1.00 13.39 O ATOM 308 CB TYR A 40 2.199 24.249 24.649 1.00 12.37 C ATOM 309 CG TYR A 40 2.163 25.561 23.900 1.00 15.62 C ATOM 310 CD1 TYR A 40 2.523 26.748 24.525 1.00 20.74 C ATOM 311 CD2 TYR A 40 1.827 25.601 22.554 1.00 18.79 C ATOM 312 CE1 TYR A 40 2.520 27.944 23.833 1.00 22.67 C ATOM 313 CE2 TYR A 40 1.821 26.788 21.860 1.00 22.54 C ATOM 314 CZ TYR A 40 2.169 27.952 22.504 1.00 24.57 C ATOM 315 OH TYR A 40 2.161 29.138 21.812 1.00 30.28 O ATOM 316 N THR A 41 4.799 21.667 25.329 1.00 11.49 N ATOM 317 CA THR A 41 5.251 20.654 26.272 1.00 12.73 C ATOM 318 C THR A 41 6.684 20.967 26.682 1.00 13.49 C ATOM 319 O THR A 41 7.475 21.478 25.893 1.00 14.51 O ATOM 320 CB THR A 41 5.141 19.212 25.716 1.00 13.86 C ATOM 321 OG1 THR A 41 6.109 19.001 24.678 1.00 11.46 O ATOM 322 CG2 THR A 41 3.742 18.963 25.184 1.00 15.64 C ATOM 323 N GLU A 42 7.007 20.671 27.935 1.00 11.79 N ATOM 324 CA GLU A 42 8.292 21.046 28.499 1.00 10.64 C ATOM 325 C GLU A 42 9.366 19.988 28.252 1.00 11.52 C ATOM 326 O GLU A 42 9.092 18.784 28.239 1.00 13.37 O ATOM 327 CB GLU A 42 8.129 21.269 30.011 1.00 12.22 C ATOM 328 CG GLU A 42 9.328 21.920 30.687 1.00 13.03 C ATOM 329 CD GLU A 42 10.292 20.922 31.294 1.00 15.51 C ATOM 330 OE1 GLU A 42 9.951 19.722 31.392 1.00 19.41 O ATOM 331 OE2 GLU A 42 11.395 21.347 31.691 1.00 13.82 O ATOM 332 N ASN A 43 10.593 20.441 28.060 1.00 10.46 N ATOM 333 CA ASN A 43 11.731 19.536 27.944 1.00 10.13 C ATOM 334 C ASN A 43 12.880 20.098 28.766 1.00 11.99 C ATOM 335 O ASN A 43 13.254 21.255 28.610 1.00 11.19 O ATOM 336 CB ASN A 43 12.128 19.368 26.473 1.00 8.95 C ATOM 337 CG ASN A 43 13.163 18.262 26.249 1.00 9.56 C ATOM 338 OD1 ASN A 43 14.220 18.234 26.881 1.00 10.89 O ATOM 339 ND2 ASN A 43 12.867 17.364 25.309 1.00 9.48 N ATOM 340 N GLU A 44 13.437 19.283 29.659 1.00 13.17 N ATOM 341 CA GLU A 44 14.483 19.768 30.561 1.00 13.49 C ATOM 342 C GLU A 44 15.715 20.302 29.840 1.00 12.02 C ATOM 343 O GLU A 44 16.512 21.029 30.431 1.00 13.26 O ATOM 344 CB GLU A 44 14.896 18.665 31.534 1.00 17.71 C ATOM 345 CG GLU A 44 13.805 18.259 32.493 1.00 23.00 C ATOM 346 CD GLU A 44 13.606 19.281 33.593 1.00 27.38 C ATOM 347 OE1 GLU A 44 14.227 19.126 34.668 1.00 31.06 O ATOM 348 OE2 GLU A 44 12.841 20.241 33.381 1.00 25.65 O ATOM 349 N LEU A 45 15.876 19.932 28.568 1.00 11.20 N ATOM 350 CA LEU A 45 17.029 20.355 27.790 1.00 10.11 C ATOM 351 C LEU A 45 16.773 21.616 26.961 1.00 9.91 C ATOM 352 O LEU A 45 17.664 22.087 26.261 1.00 10.88 O ATOM 353 CB LEU A 45 17.507 19.224 26.876 1.00 11.49 C ATOM 354 CG LEU A 45 17.982 17.991 27.651 1.00 14.66 C ATOM 355 CD1 LEU A 45 18.436 16.907 26.684 1.00 16.39 C ATOM 356 CD2 LEU A 45 19.102 18.396 28.588 1.00 16.39 C ATOM 357 N PHE A 46 15.576 22.181 27.078 1.00 9.47 N ATOM 358 CA PHE A 46 15.279 23.436 26.404 1.00 9.35 C ATOM 359 C PHE A 46 15.771 24.619 27.239 1.00 10.82 C ATOM 360 O PHE A 46 15.899 24.535 28.467 1.00 10.94 O ATOM 361 CB PHE A 46 13.776 23.585 26.151 1.00 10.13 C ATOM 362 CG PHE A 46 13.224 22.608 25.135 1.00 9.12 C ATOM 363 CD1 PHE A 46 14.070 21.783 24.406 1.00 9.47 C ATOM 364 CD2 PHE A 46 11.858 22.518 24.926 1.00 10.35 C ATOM 365 CE1 PHE A 46 13.560 20.882 23.473 1.00 9.04 C ATOM 366 CE2 PHE A 46 11.334 21.626 23.990 1.00 9.92 C ATOM 367 CZ PHE A 46 12.192 20.802 23.263 1.00 9.22 C ATOM 368 N PHE A 47 16.047 25.723 26.566 1.00 9.18 N ATOM 369 CA PHE A 47 16.495 26.921 27.252 1.00 9.11 C ATOM 370 C PHE A 47 15.333 27.512 28.049 1.00 7.31 C ATOM 371 O PHE A 47 14.210 27.582 27.553 1.00 9.87 O ATOM 372 CB PHE A 47 17.024 27.941 26.240 1.00 10.49 C ATOM 373 CG PHE A 47 17.626 29.150 26.887 1.00 10.62 C ATOM 374 CD1 PHE A 47 16.839 30.251 27.197 1.00 10.26 C ATOM 375 CD2 PHE A 47 18.963 29.169 27.229 1.00 11.83 C ATOM 376 CE1 PHE A 47 17.388 31.373 27.823 1.00 11.93 C ATOM 377 CE2 PHE A 47 19.520 30.286 27.860 1.00 13.34 C ATOM 378 CZ PHE A 47 18.725 31.387 28.148 1.00 14.26 C ATOM 379 N PRO A 48 15.591 27.929 29.301 1.00 8.88 N ATOM 380 CA PRO A 48 14.527 28.556 30.088 1.00 10.11 C ATOM 381 C PRO A 48 14.332 30.016 29.676 1.00 10.29 C ATOM 382 O PRO A 48 15.059 30.906 30.125 1.00 10.88 O ATOM 383 CB PRO A 48 15.051 28.453 31.528 1.00 8.20 C ATOM 384 CG PRO A 48 16.520 28.485 31.392 1.00 10.34 C ATOM 385 CD PRO A 48 16.860 27.849 30.043 1.00 11.72 C HETATM 386 N MSE A 49 13.356 30.245 28.805 1.00 9.22 N HETATM 387 CA MSE A 49 13.067 31.582 28.294 1.00 10.68 C HETATM 388 C MSE A 49 12.527 32.518 29.382 1.00 9.45 C HETATM 389 O MSE A 49 11.516 32.225 30.010 1.00 10.02 O HETATM 390 CB MSE A 49 12.070 31.492 27.135 1.00 12.13 C HETATM 391 CG MSE A 49 12.597 30.752 25.912 1.00 15.57 C HETATM 392 SE MSE A 49 14.122 31.682 25.101 1.00 22.01 SE HETATM 393 CE MSE A 49 13.278 33.416 24.854 1.00 26.18 C ATOM 394 N SER A 50 13.199 33.647 29.587 1.00 9.34 N ATOM 395 CA SER A 50 12.843 34.563 30.677 1.00 9.12 C ATOM 396 C SER A 50 11.853 35.646 30.268 1.00 9.16 C ATOM 397 O SER A 50 12.042 36.324 29.265 1.00 12.74 O ATOM 398 CB SER A 50 14.091 35.253 31.228 1.00 10.33 C ATOM 399 OG SER A 50 13.726 36.156 32.267 1.00 10.67 O ATOM 400 N PRO A 51 10.814 35.850 31.083 1.00 9.28 N ATOM 401 CA PRO A 51 9.889 36.964 30.845 1.00 9.56 C ATOM 402 C PRO A 51 10.442 38.319 31.318 1.00 12.37 C ATOM 403 O PRO A 51 9.800 39.357 31.120 1.00 13.33 O ATOM 404 CB PRO A 51 8.670 36.574 31.679 1.00 8.58 C ATOM 405 CG PRO A 51 9.246 35.745 32.810 1.00 8.96 C ATOM 406 CD PRO A 51 10.395 34.994 32.210 1.00 9.12 C ATOM 407 N TYR A 52 11.627 38.310 31.913 1.00 10.18 N ATOM 408 CA TYR A 52 12.179 39.512 32.541 1.00 10.20 C ATOM 409 C TYR A 52 13.172 40.257 31.663 1.00 13.59 C ATOM 410 O TYR A 52 13.628 41.351 32.012 1.00 17.01 O ATOM 411 CB TYR A 52 12.834 39.141 33.873 1.00 12.52 C ATOM 412 CG TYR A 52 11.936 38.301 34.756 1.00 11.30 C ATOM 413 CD1 TYR A 52 10.611 38.664 34.983 1.00 12.00 C ATOM 414 CD2 TYR A 52 12.408 37.137 35.347 1.00 10.92 C ATOM 415 CE1 TYR A 52 9.781 37.895 35.791 1.00 10.93 C ATOM 416 CE2 TYR A 52 11.587 36.359 36.156 1.00 11.15 C ATOM 417 CZ TYR A 52 10.280 36.740 36.372 1.00 11.67 C ATOM 418 OH TYR A 52 9.475 35.967 37.166 1.00 12.53 O ATOM 419 N THR A 53 13.504 39.679 30.514 1.00 16.83 N ATOM 420 CA THR A 53 14.444 40.317 29.601 1.00 17.75 C ATOM 421 C THR A 53 13.956 41.699 29.172 1.00 21.77 C ATOM 422 O THR A 53 12.801 41.875 28.788 1.00 21.87 O ATOM 423 CB THR A 53 14.670 39.454 28.350 1.00 16.22 C ATOM 424 OG1 THR A 53 15.096 38.149 28.757 1.00 17.22 O ATOM 425 CG2 THR A 53 15.726 40.087 27.448 1.00 14.85 C ATOM 426 N SER A 54 14.843 42.684 29.247 1.00 23.92 N ATOM 427 CA SER A 54 14.510 44.020 28.778 1.00 28.40 C ATOM 428 C SER A 54 14.462 44.045 27.254 1.00 29.17 C ATOM 429 O SER A 54 15.447 43.722 26.596 1.00 31.19 O ATOM 430 CB SER A 54 15.539 45.035 29.279 1.00 31.97 C ATOM 431 OG SER A 54 15.592 45.050 30.696 1.00 36.00 O ATOM 432 N SER A 55 13.308 44.399 26.697 1.00 28.12 N ATOM 433 CA SER A 55 13.208 44.730 25.269 1.00 28.33 C ATOM 434 C SER A 55 13.231 43.559 24.282 1.00 25.25 C ATOM 435 O SER A 55 13.529 43.755 23.106 1.00 27.69 O ATOM 436 CB SER A 55 14.305 45.726 24.871 1.00 32.92 C ATOM 437 OG SER A 55 15.513 45.052 24.539 1.00 35.17 O ATOM 438 N SER A 56 12.922 42.353 24.739 1.00 19.04 N ATOM 439 CA SER A 56 12.830 41.220 23.821 1.00 16.55 C ATOM 440 C SER A 56 11.493 41.226 23.091 1.00 17.71 C ATOM 441 O SER A 56 10.488 41.686 23.640 1.00 20.81 O ATOM 442 CB SER A 56 12.999 39.904 24.577 1.00 15.78 C ATOM 443 OG SER A 56 12.709 38.807 23.722 1.00 15.09 O ATOM 444 N ARG A 57 11.485 40.719 21.856 1.00 14.27 N ATOM 445 CA ARG A 57 10.247 40.584 21.091 1.00 15.00 C ATOM 446 C ARG A 57 9.533 39.263 21.384 1.00 15.56 C ATOM 447 O ARG A 57 8.447 39.011 20.869 1.00 17.27 O ATOM 448 CB ARG A 57 10.525 40.704 19.589 1.00 16.09 C ATOM 449 CG ARG A 57 11.099 42.044 19.168 1.00 20.46 C ATOM 450 CD ARG A 57 10.035 43.107 19.230 1.00 25.49 C ATOM 451 NE ARG A 57 8.932 42.804 18.324 1.00 30.84 N ATOM 452 CZ ARG A 57 8.895 43.155 17.041 1.00 33.45 C ATOM 453 NH1 ARG A 57 9.907 43.823 16.497 1.00 32.50 N ATOM 454 NH2 ARG A 57 7.841 42.835 16.298 1.00 35.82 N ATOM 455 N TRP A 58 10.154 38.410 22.194 1.00 14.17 N ATOM 456 CA TRP A 58 9.525 37.146 22.590 1.00 15.04 C ATOM 457 C TRP A 58 8.364 37.446 23.544 1.00 17.68 C ATOM 458 O TRP A 58 8.522 38.213 24.494 1.00 23.65 O ATOM 459 CB TRP A 58 10.571 36.286 23.307 1.00 12.66 C ATOM 460 CG TRP A 58 10.177 34.861 23.577 1.00 12.67 C ATOM 461 CD1 TRP A 58 9.511 34.382 24.666 1.00 13.30 C ATOM 462 CD2 TRP A 58 10.459 33.729 22.751 1.00 9.99 C ATOM 463 NE1 TRP A 58 9.346 33.023 24.566 1.00 11.78 N ATOM 464 CE2 TRP A 58 9.926 32.594 23.400 1.00 11.20 C ATOM 465 CE3 TRP A 58 11.112 33.567 21.524 1.00 10.34 C ATOM 466 CZ2 TRP A 58 10.024 31.313 22.869 1.00 10.09 C ATOM 467 CZ3 TRP A 58 11.209 32.283 20.991 1.00 11.39 C ATOM 468 CH2 TRP A 58 10.669 31.180 21.665 1.00 11.24 C ATOM 469 N ARG A 59 7.206 36.844 23.301 1.00 20.98 N ATOM 470 CA ARG A 59 6.070 36.993 24.211 1.00 22.46 C ATOM 471 C ARG A 59 5.622 35.685 24.876 1.00 20.92 C ATOM 472 O ARG A 59 4.546 35.628 25.467 1.00 23.17 O ATOM 473 CB ARG A 59 4.883 37.637 23.490 1.00 23.48 C ATOM 474 CG ARG A 59 5.155 39.043 22.980 1.00 23.91 C ATOM 475 CD ARG A 59 5.235 40.052 24.116 1.00 25.45 C ATOM 476 NE ARG A 59 5.612 41.373 23.619 1.00 26.78 N ATOM 477 CZ ARG A 59 6.867 41.800 23.524 1.00 28.31 C ATOM 478 NH1 ARG A 59 7.868 41.013 23.905 1.00 26.75 N ATOM 479 NH2 ARG A 59 7.123 43.016 23.058 1.00 29.91 N ATOM 480 N GLY A 60 6.451 34.644 24.793 1.00 19.31 N ATOM 481 CA GLY A 60 6.106 33.332 25.329 1.00 9.79 C ATOM 482 C GLY A 60 6.169 32.264 24.253 1.00 12.49 C ATOM 483 O GLY A 60 6.281 32.591 23.054 1.00 16.35 O ATOM 484 N PRO A 61 6.104 30.987 24.655 1.00 11.19 N ATOM 485 CA PRO A 61 5.993 30.567 26.058 1.00 10.55 C ATOM 486 C PRO A 61 7.286 30.792 26.831 1.00 10.32 C ATOM 487 O PRO A 61 8.366 30.849 26.243 1.00 8.96 O ATOM 488 CB PRO A 61 5.707 29.070 25.948 1.00 11.61 C ATOM 489 CG PRO A 61 6.383 28.660 24.661 1.00 10.70 C ATOM 490 CD PRO A 61 6.154 29.832 23.735 1.00 11.28 C ATOM 491 N PHE A 62 7.176 30.902 28.153 1.00 9.93 N ATOM 492 CA PHE A 62 8.353 31.105 28.982 1.00 9.22 C ATOM 493 C PHE A 62 8.767 29.802 29.641 1.00 8.74 C ATOM 494 O PHE A 62 8.014 28.825 29.634 1.00 11.55 O ATOM 495 CB PHE A 62 8.108 32.224 29.997 1.00 9.18 C ATOM 496 CG PHE A 62 7.829 33.544 29.343 1.00 9.80 C ATOM 497 CD1 PHE A 62 8.843 34.238 28.697 1.00 8.44 C ATOM 498 CD2 PHE A 62 6.542 34.058 29.309 1.00 12.71 C ATOM 499 CE1 PHE A 62 8.585 35.443 28.054 1.00 8.59 C ATOM 500 CE2 PHE A 62 6.283 35.261 28.667 1.00 12.64 C ATOM 501 CZ PHE A 62 7.301 35.947 28.041 1.00 10.09 C ATOM 502 N GLY A 63 9.980 29.777 30.167 1.00 8.47 N ATOM 503 CA GLY A 63 10.539 28.544 30.691 1.00 8.76 C ATOM 504 C GLY A 63 10.998 27.638 29.564 1.00 11.11 C ATOM 505 O GLY A 63 11.282 28.100 28.458 1.00 11.32 O ATOM 506 N ARG A 64 11.045 26.339 29.834 1.00 9.36 N ATOM 507 CA ARG A 64 11.717 25.406 28.933 1.00 7.83 C ATOM 508 C ARG A 64 10.741 24.772 27.938 1.00 9.35 C ATOM 509 O ARG A 64 10.508 23.567 27.968 1.00 8.97 O ATOM 510 CB ARG A 64 12.400 24.326 29.766 1.00 9.28 C ATOM 511 CG ARG A 64 13.442 24.863 30.739 1.00 8.98 C ATOM 512 CD ARG A 64 14.247 23.700 31.318 1.00 8.79 C ATOM 513 NE ARG A 64 15.102 24.109 32.433 1.00 9.80 N ATOM 514 CZ ARG A 64 16.380 24.456 32.321 1.00 13.05 C ATOM 515 NH1 ARG A 64 16.982 24.462 31.136 1.00 12.35 N ATOM 516 NH2 ARG A 64 17.066 24.800 33.401 1.00 14.48 N ATOM 517 N PHE A 65 10.187 25.586 27.040 1.00 8.50 N ATOM 518 CA PHE A 65 9.061 25.144 26.220 1.00 10.01 C ATOM 519 C PHE A 65 9.288 25.258 24.712 1.00 9.83 C ATOM 520 O PHE A 65 8.426 24.873 23.922 1.00 11.14 O ATOM 521 CB PHE A 65 7.788 25.915 26.594 1.00 9.48 C ATOM 522 CG PHE A 65 7.088 25.364 27.790 1.00 12.39 C ATOM 523 CD1 PHE A 65 7.467 25.747 29.066 1.00 16.68 C ATOM 524 CD2 PHE A 65 6.069 24.440 27.643 1.00 16.22 C ATOM 525 CE1 PHE A 65 6.831 25.224 30.173 1.00 17.91 C ATOM 526 CE2 PHE A 65 5.431 23.908 28.753 1.00 16.57 C ATOM 527 CZ PHE A 65 5.813 24.306 30.018 1.00 17.16 C ATOM 528 N SER A 66 10.438 25.780 24.309 1.00 8.47 N ATOM 529 CA SER A 66 10.700 25.944 22.882 1.00 8.86 C ATOM 530 C SER A 66 12.058 25.401 22.478 1.00 9.07 C ATOM 531 O SER A 66 12.973 25.319 23.295 1.00 10.79 O ATOM 532 CB SER A 66 10.609 27.427 22.511 1.00 9.19 C ATOM 533 OG SER A 66 9.319 27.921 22.812 1.00 12.63 O ATOM 534 N ILE A 67 12.187 25.037 21.208 1.00 8.27 N ATOM 535 CA ILE A 67 13.454 24.538 20.702 1.00 9.75 C ATOM 536 C ILE A 67 13.844 25.302 19.455 1.00 9.26 C ATOM 537 O ILE A 67 12.996 25.630 18.614 1.00 9.09 O ATOM 538 CB ILE A 67 13.399 23.020 20.401 1.00 9.80 C ATOM 539 CG1 ILE A 67 14.796 22.497 20.059 1.00 11.29 C ATOM 540 CG2 ILE A 67 12.413 22.730 19.276 1.00 10.61 C ATOM 541 CD1 ILE A 67 14.883 20.973 19.969 1.00 12.18 C ATOM 542 N ARG A 68 15.131 25.604 19.359 1.00 8.19 N ATOM 543 CA ARG A 68 15.682 26.229 18.172 1.00 9.91 C ATOM 544 C ARG A 68 15.944 25.200 17.077 1.00 9.73 C ATOM 545 O ARG A 68 16.471 24.114 17.333 1.00 10.51 O ATOM 546 CB ARG A 68 16.968 26.975 18.521 1.00 11.94 C ATOM 547 CG ARG A 68 17.580 27.699 17.321 1.00 14.37 C ATOM 548 CD ARG A 68 18.516 28.810 17.777 1.00 17.58 C ATOM 549 NE ARG A 68 19.616 28.291 18.575 1.00 19.72 N ATOM 550 CZ ARG A 68 20.183 28.939 19.586 1.00 23.09 C ATOM 551 NH1 ARG A 68 19.751 30.141 19.946 1.00 24.22 N ATOM 552 NH2 ARG A 68 21.178 28.376 20.245 1.00 24.79 N ATOM 553 N CYS A 69 15.552 25.547 15.855 1.00 8.57 N ATOM 554 CA CYS A 69 15.816 24.695 14.700 1.00 8.96 C ATOM 555 C CYS A 69 16.684 25.462 13.730 1.00 8.20 C ATOM 556 O CYS A 69 16.353 26.591 13.350 1.00 10.81 O ATOM 557 CB CYS A 69 14.511 24.307 14.008 1.00 10.20 C ATOM 558 SG CYS A 69 13.268 23.581 15.092 1.00 14.36 S ATOM 559 N ILE A 70 17.790 24.852 13.319 1.00 7.10 N ATOM 560 CA ILE A 70 18.674 25.468 12.346 1.00 9.94 C ATOM 561 C ILE A 70 18.463 24.767 11.008 1.00 8.56 C ATOM 562 O ILE A 70 18.610 23.552 10.914 1.00 9.53 O ATOM 563 CB ILE A 70 20.151 25.322 12.759 1.00 12.49 C ATOM 564 CG1 ILE A 70 20.373 25.896 14.158 1.00 16.05 C ATOM 565 CG2 ILE A 70 21.054 25.998 11.730 1.00 12.92 C ATOM 566 CD1 ILE A 70 20.143 27.404 14.234 1.00 17.08 C ATOM 567 N LEU A 71 18.102 25.538 9.987 1.00 6.70 N ATOM 568 CA LEU A 71 17.820 24.998 8.660 1.00 8.17 C ATOM 569 C LEU A 71 18.909 25.447 7.705 1.00 9.52 C ATOM 570 O LEU A 71 19.175 26.647 7.565 1.00 10.08 O ATOM 571 CB LEU A 71 16.465 25.502 8.154 1.00 8.98 C ATOM 572 CG LEU A 71 15.224 24.775 8.680 1.00 11.05 C ATOM 573 CD1 LEU A 71 15.152 24.838 10.193 1.00 12.23 C ATOM 574 CD2 LEU A 71 13.969 25.379 8.068 1.00 12.13 C ATOM 575 N TRP A 72 19.532 24.471 7.048 1.00 10.77 N ATOM 576 CA TRP A 72 20.627 24.712 6.121 1.00 11.73 C ATOM 577 C TRP A 72 20.189 24.414 4.688 1.00 9.99 C ATOM 578 O TRP A 72 19.250 23.651 4.465 1.00 10.36 O ATOM 579 CB TRP A 72 21.803 23.784 6.441 1.00 12.73 C ATOM 580 CG TRP A 72 22.442 23.962 7.794 1.00 12.99 C ATOM 581 CD1 TRP A 72 22.269 23.164 8.896 1.00 11.64 C ATOM 582 CD2 TRP A 72 23.394 24.965 8.178 1.00 13.28 C ATOM 583 NE1 TRP A 72 23.036 23.623 9.940 1.00 13.26 N ATOM 584 CE2 TRP A 72 23.737 24.725 9.523 1.00 12.85 C ATOM 585 CE3 TRP A 72 23.984 26.043 7.509 1.00 11.96 C ATOM 586 CZ2 TRP A 72 24.642 25.522 10.219 1.00 12.89 C ATOM 587 CZ3 TRP A 72 24.882 26.836 8.202 1.00 13.94 C ATOM 588 CH2 TRP A 72 25.203 26.569 9.542 1.00 12.93 C ATOM 589 N ASP A 73 20.882 25.011 3.724 1.00 9.82 N ATOM 590 CA ASP A 73 20.754 24.586 2.328 1.00 11.99 C ATOM 591 C ASP A 73 19.310 24.636 1.835 1.00 12.16 C ATOM 592 O ASP A 73 18.625 25.636 2.035 1.00 12.60 O ATOM 593 CB ASP A 73 21.366 23.192 2.155 1.00 14.34 C ATOM 594 CG ASP A 73 22.818 23.143 2.606 1.00 17.83 C ATOM 595 OD1 ASP A 73 23.585 24.049 2.219 1.00 18.09 O ATOM 596 OD2 ASP A 73 23.183 22.218 3.362 1.00 18.99 O ATOM 597 N GLU A 74 18.836 23.569 1.199 1.00 12.26 N ATOM 598 CA GLU A 74 17.515 23.613 0.575 1.00 12.17 C ATOM 599 C GLU A 74 16.409 23.911 1.588 1.00 11.65 C ATOM 600 O GLU A 74 15.399 24.524 1.253 1.00 11.19 O ATOM 601 CB GLU A 74 17.219 22.327 -0.209 1.00 13.64 C ATOM 602 CG GLU A 74 17.022 21.069 0.646 1.00 12.94 C ATOM 603 CD GLU A 74 18.309 20.294 0.908 1.00 15.18 C ATOM 604 OE1 GLU A 74 19.397 20.876 0.754 1.00 15.49 O ATOM 605 OE2 GLU A 74 18.226 19.093 1.265 1.00 15.95 O ATOM 606 N HIS A 75 16.612 23.489 2.831 1.00 10.48 N ATOM 607 CA HIS A 75 15.640 23.756 3.886 1.00 9.34 C ATOM 608 C HIS A 75 15.562 25.248 4.194 1.00 8.82 C ATOM 609 O HIS A 75 14.481 25.783 4.398 1.00 9.50 O ATOM 610 CB HIS A 75 16.015 22.983 5.153 1.00 9.13 C ATOM 611 CG HIS A 75 16.404 21.563 4.886 1.00 10.49 C ATOM 612 ND1 HIS A 75 15.488 20.587 4.549 1.00 12.11 N ATOM 613 CD2 HIS A 75 17.614 20.949 4.903 1.00 12.20 C ATOM 614 CE1 HIS A 75 16.111 19.439 4.376 1.00 13.81 C ATOM 615 NE2 HIS A 75 17.407 19.631 4.579 1.00 14.03 N ATOM 616 N ASP A 76 16.723 25.897 4.222 1.00 8.78 N ATOM 617 CA ASP A 76 16.851 27.340 4.405 1.00 10.25 C ATOM 618 C ASP A 76 16.188 28.060 3.231 1.00 11.23 C ATOM 619 O ASP A 76 15.281 28.874 3.413 1.00 10.19 O ATOM 620 CB ASP A 76 18.353 27.664 4.508 1.00 12.11 C ATOM 621 CG ASP A 76 18.674 29.155 4.451 1.00 13.25 C ATOM 622 OD1 ASP A 76 17.772 30.007 4.522 1.00 13.01 O ATOM 623 OD2 ASP A 76 19.881 29.469 4.359 1.00 14.56 O ATOM 624 N PHE A 77 16.625 27.740 2.017 1.00 10.49 N ATOM 625 CA PHE A 77 16.146 28.452 0.836 1.00 11.19 C ATOM 626 C PHE A 77 14.627 28.320 0.673 1.00 10.47 C ATOM 627 O PHE A 77 13.945 29.266 0.269 1.00 10.56 O ATOM 628 CB PHE A 77 16.860 27.926 -0.412 1.00 13.77 C ATOM 629 CG PHE A 77 18.369 27.910 -0.293 1.00 15.11 C ATOM 630 CD1 PHE A 77 19.040 28.929 0.344 1.00 17.87 C ATOM 631 CD2 PHE A 77 19.102 26.855 -0.817 1.00 17.25 C ATOM 632 CE1 PHE A 77 20.425 28.913 0.453 1.00 20.69 C ATOM 633 CE2 PHE A 77 20.483 26.824 -0.710 1.00 19.24 C ATOM 634 CZ PHE A 77 21.147 27.855 -0.073 1.00 19.27 C ATOM 635 N TYR A 78 14.088 27.155 1.022 1.00 9.56 N ATOM 636 CA TYR A 78 12.647 26.949 0.935 1.00 9.87 C ATOM 637 C TYR A 78 11.857 27.700 1.995 1.00 9.59 C ATOM 638 O TYR A 78 10.834 28.317 1.694 1.00 11.68 O ATOM 639 CB TYR A 78 12.314 25.469 1.055 1.00 9.06 C ATOM 640 CG TYR A 78 10.840 25.149 0.986 1.00 10.14 C ATOM 641 CD1 TYR A 78 10.059 25.592 -0.075 1.00 10.18 C ATOM 642 CD2 TYR A 78 10.234 24.364 1.963 1.00 9.63 C ATOM 643 CE1 TYR A 78 8.705 25.280 -0.155 1.00 10.41 C ATOM 644 CE2 TYR A 78 8.889 24.043 1.892 1.00 12.09 C ATOM 645 CZ TYR A 78 8.131 24.502 0.836 1.00 10.81 C ATOM 646 OH TYR A 78 6.803 24.174 0.772 1.00 11.96 O ATOM 647 N CYS A 79 12.314 27.620 3.240 1.00 9.62 N ATOM 648 CA CYS A 79 11.545 28.156 4.359 1.00 8.27 C ATOM 649 C CYS A 79 11.699 29.653 4.620 1.00 8.60 C ATOM 650 O CYS A 79 10.800 30.277 5.194 1.00 9.83 O ATOM 651 CB CYS A 79 11.856 27.372 5.650 1.00 8.58 C ATOM 652 SG CYS A 79 11.256 25.673 5.619 1.00 12.06 S ATOM 653 N ARG A 80 12.823 30.236 4.211 1.00 8.56 N ATOM 654 CA ARG A 80 13.173 31.572 4.690 1.00 9.91 C ATOM 655 C ARG A 80 12.191 32.666 4.274 1.00 9.86 C ATOM 656 O ARG A 80 12.024 33.644 4.986 1.00 10.52 O ATOM 657 CB ARG A 80 14.607 31.939 4.314 1.00 12.68 C ATOM 658 CG ARG A 80 14.858 32.041 2.831 1.00 13.65 C ATOM 659 CD ARG A 80 16.352 32.175 2.559 1.00 15.64 C ATOM 660 NE ARG A 80 16.893 33.482 2.937 1.00 17.31 N ATOM 661 CZ ARG A 80 17.801 33.687 3.891 1.00 18.37 C ATOM 662 NH1 ARG A 80 18.273 32.671 4.604 1.00 20.65 N ATOM 663 NH2 ARG A 80 18.242 34.919 4.135 1.00 17.37 N ATOM 664 N ASN A 81 11.530 32.494 3.136 1.00 10.42 N ATOM 665 CA ASN A 81 10.506 33.453 2.717 1.00 10.13 C ATOM 666 C ASN A 81 9.123 32.820 2.705 1.00 11.63 C ATOM 667 O ASN A 81 8.223 33.294 2.016 1.00 13.79 O ATOM 668 CB ASN A 81 10.820 33.999 1.322 1.00 9.63 C ATOM 669 CG ASN A 81 12.181 34.645 1.245 1.00 10.98 C ATOM 670 OD1 ASN A 81 13.092 34.112 0.615 1.00 11.39 O ATOM 671 ND2 ASN A 81 12.331 35.798 1.894 1.00 13.59 N ATOM 672 N TYR A 82 8.953 31.749 3.471 1.00 11.44 N ATOM 673 CA TYR A 82 7.726 30.969 3.423 1.00 10.64 C ATOM 674 C TYR A 82 7.155 30.719 4.827 1.00 11.61 C ATOM 675 O TYR A 82 6.001 31.048 5.102 1.00 13.18 O ATOM 676 CB TYR A 82 7.997 29.657 2.668 1.00 11.09 C ATOM 677 CG TYR A 82 6.835 28.686 2.575 1.00 11.47 C ATOM 678 CD1 TYR A 82 5.633 29.060 1.983 1.00 13.65 C ATOM 679 CD2 TYR A 82 6.960 27.386 3.043 1.00 11.73 C ATOM 680 CE1 TYR A 82 4.573 28.160 1.878 1.00 14.34 C ATOM 681 CE2 TYR A 82 5.908 26.481 2.947 1.00 13.08 C ATOM 682 CZ TYR A 82 4.723 26.877 2.360 1.00 15.13 C ATOM 683 OH TYR A 82 3.683 25.980 2.268 1.00 17.37 O ATOM 684 N ILE A 83 7.957 30.132 5.707 1.00 10.74 N ATOM 685 CA ILE A 83 7.518 29.862 7.075 1.00 11.36 C ATOM 686 C ILE A 83 7.565 31.153 7.890 1.00 11.92 C ATOM 687 O ILE A 83 8.598 31.819 7.938 1.00 11.66 O ATOM 688 CB ILE A 83 8.426 28.795 7.732 1.00 10.91 C ATOM 689 CG1 ILE A 83 8.412 27.487 6.925 1.00 13.94 C ATOM 690 CG2 ILE A 83 8.070 28.599 9.216 1.00 12.33 C ATOM 691 CD1 ILE A 83 7.034 26.901 6.689 1.00 15.63 C ATOM 692 N LYS A 84 6.449 31.499 8.531 1.00 12.32 N ATOM 693 CA LYS A 84 6.342 32.744 9.282 1.00 12.04 C ATOM 694 C LYS A 84 6.066 32.490 10.747 1.00 10.26 C ATOM 695 O LYS A 84 5.524 31.446 11.113 1.00 10.14 O ATOM 696 CB LYS A 84 5.188 33.590 8.753 1.00 13.70 C ATOM 697 CG LYS A 84 5.261 33.902 7.265 1.00 18.93 C ATOM 698 CD LYS A 84 6.513 34.685 6.898 1.00 23.78 C ATOM 699 CE LYS A 84 6.597 34.892 5.381 1.00 28.08 C ATOM 700 NZ LYS A 84 7.894 35.505 4.973 1.00 29.95 N ATOM 701 N GLU A 85 6.389 33.473 11.583 1.00 10.80 N ATOM 702 CA GLU A 85 6.006 33.386 12.987 1.00 11.71 C ATOM 703 C GLU A 85 4.491 33.213 13.105 1.00 12.08 C ATOM 704 O GLU A 85 3.713 33.904 12.433 1.00 13.52 O ATOM 705 CB GLU A 85 6.501 34.613 13.769 1.00 13.82 C ATOM 706 CG GLU A 85 8.030 34.692 13.815 1.00 14.65 C ATOM 707 CD GLU A 85 8.560 35.947 14.469 1.00 15.15 C ATOM 708 OE1 GLU A 85 7.742 36.811 14.845 1.00 16.28 O ATOM 709 OE2 GLU A 85 9.802 36.065 14.605 1.00 12.30 O ATOM 710 N GLY A 86 4.081 32.259 13.931 1.00 12.60 N ATOM 711 CA GLY A 86 2.676 31.956 14.117 1.00 12.27 C ATOM 712 C GLY A 86 2.206 30.752 13.321 1.00 12.55 C ATOM 713 O GLY A 86 1.204 30.128 13.685 1.00 13.75 O ATOM 714 N ASP A 87 2.918 30.413 12.244 1.00 11.30 N ATOM 715 CA ASP A 87 2.542 29.243 11.441 1.00 11.88 C ATOM 716 C ASP A 87 2.649 27.954 12.262 1.00 12.70 C ATOM 717 O ASP A 87 3.454 27.857 13.195 1.00 12.64 O ATOM 718 CB ASP A 87 3.437 29.093 10.197 1.00 13.67 C ATOM 719 CG ASP A 87 3.164 30.144 9.131 1.00 17.11 C ATOM 720 OD1 ASP A 87 2.123 30.827 9.196 1.00 18.43 O ATOM 721 OD2 ASP A 87 3.994 30.272 8.205 1.00 17.93 O ATOM 722 N TYR A 88 1.826 26.973 11.920 1.00 11.00 N ATOM 723 CA TYR A 88 2.022 25.629 12.433 1.00 12.06 C ATOM 724 C TYR A 88 2.783 24.839 11.392 1.00 12.13 C ATOM 725 O TYR A 88 2.579 25.013 10.186 1.00 13.16 O ATOM 726 CB TYR A 88 0.684 24.955 12.712 1.00 12.67 C ATOM 727 CG TYR A 88 -0.127 25.643 13.777 1.00 15.18 C ATOM 728 CD1 TYR A 88 -1.056 26.618 13.441 1.00 17.97 C ATOM 729 CD2 TYR A 88 0.040 25.319 15.115 1.00 15.60 C ATOM 730 CE1 TYR A 88 -1.802 27.245 14.410 1.00 19.84 C ATOM 731 CE2 TYR A 88 -0.700 25.943 16.093 1.00 18.34 C ATOM 732 CZ TYR A 88 -1.621 26.905 15.731 1.00 20.26 C ATOM 733 OH TYR A 88 -2.371 27.534 16.691 1.00 22.51 O ATOM 734 N VAL A 89 3.665 23.964 11.855 1.00 11.72 N ATOM 735 CA VAL A 89 4.459 23.160 10.943 1.00 12.46 C ATOM 736 C VAL A 89 4.479 21.703 11.374 1.00 11.45 C ATOM 737 O VAL A 89 4.305 21.374 12.547 1.00 10.58 O ATOM 738 CB VAL A 89 5.916 23.670 10.864 1.00 11.97 C ATOM 739 CG1 VAL A 89 5.978 25.046 10.173 1.00 13.90 C ATOM 740 CG2 VAL A 89 6.530 23.732 12.260 1.00 12.11 C ATOM 741 N VAL A 90 4.696 20.830 10.403 1.00 11.00 N ATOM 742 CA VAL A 90 5.059 19.464 10.716 1.00 12.14 C ATOM 743 C VAL A 90 6.469 19.229 10.189 1.00 11.41 C ATOM 744 O VAL A 90 6.785 19.526 9.031 1.00 11.09 O ATOM 745 CB VAL A 90 4.037 18.441 10.176 1.00 13.33 C ATOM 746 CG1 VAL A 90 3.848 18.595 8.674 1.00 12.96 C ATOM 747 CG2 VAL A 90 4.462 17.016 10.544 1.00 13.87 C HETATM 748 N MSE A 91 7.334 18.766 11.080 1.00 10.99 N HETATM 749 CA MSE A 91 8.721 18.533 10.740 1.00 12.42 C HETATM 750 C MSE A 91 8.981 17.036 10.849 1.00 11.22 C HETATM 751 O MSE A 91 8.722 16.426 11.883 1.00 14.91 O HETATM 752 CB MSE A 91 9.637 19.370 11.646 1.00 14.04 C HETATM 753 CG MSE A 91 9.263 20.867 11.595 1.00 11.57 C HETATM 754 SE MSE A 91 10.309 22.110 12.653 1.00 24.45 SE HETATM 755 CE MSE A 91 12.088 21.521 12.181 1.00 14.73 C ATOM 756 N LYS A 92 9.468 16.451 9.761 1.00 8.64 N ATOM 757 CA LYS A 92 9.632 15.007 9.677 1.00 9.99 C ATOM 758 C LYS A 92 11.086 14.603 9.497 1.00 10.27 C ATOM 759 O LYS A 92 11.801 15.143 8.647 1.00 11.55 O ATOM 760 CB LYS A 92 8.786 14.440 8.532 1.00 11.51 C ATOM 761 CG LYS A 92 7.304 14.677 8.700 1.00 14.30 C ATOM 762 CD LYS A 92 6.510 14.071 7.547 1.00 18.49 C ATOM 763 CE LYS A 92 5.057 14.518 7.591 1.00 23.22 C ATOM 764 NZ LYS A 92 4.286 14.062 6.395 1.00 25.75 N ATOM 765 N ASN A 93 11.510 13.652 10.325 1.00 10.11 N ATOM 766 CA ASN A 93 12.829 13.053 10.231 1.00 10.99 C ATOM 767 C ASN A 93 13.973 14.042 10.400 1.00 13.96 C ATOM 768 O ASN A 93 15.034 13.887 9.796 1.00 15.81 O ATOM 769 CB ASN A 93 12.955 12.276 8.917 1.00 12.24 C ATOM 770 CG ASN A 93 11.947 11.153 8.825 1.00 14.42 C ATOM 771 OD1 ASN A 93 11.748 10.413 9.790 1.00 14.63 O ATOM 772 ND2 ASN A 93 11.285 11.035 7.678 1.00 15.81 N ATOM 773 N VAL A 94 13.760 15.051 11.239 1.00 12.24 N ATOM 774 CA VAL A 94 14.807 16.023 11.526 1.00 12.40 C ATOM 775 C VAL A 94 15.747 15.444 12.588 1.00 13.60 C ATOM 776 O VAL A 94 15.410 14.465 13.259 1.00 15.77 O ATOM 777 CB VAL A 94 14.211 17.382 11.967 1.00 14.59 C ATOM 778 CG1 VAL A 94 13.320 17.957 10.859 1.00 16.13 C ATOM 779 CG2 VAL A 94 13.423 17.235 13.267 1.00 15.76 C ATOM 780 N ARG A 95 16.937 16.019 12.716 1.00 11.96 N ATOM 781 CA ARG A 95 17.923 15.504 13.662 1.00 12.07 C ATOM 782 C ARG A 95 18.010 16.403 14.883 1.00 12.67 C ATOM 783 O ARG A 95 17.787 17.611 14.793 1.00 14.37 O ATOM 784 CB ARG A 95 19.301 15.382 13.000 1.00 16.83 C ATOM 785 CG ARG A 95 19.473 14.155 12.092 1.00 23.03 C ATOM 786 CD ARG A 95 19.663 12.849 12.891 1.00 27.80 C ATOM 787 NE ARG A 95 20.858 12.854 13.742 1.00 31.01 N ATOM 788 CZ ARG A 95 21.251 11.825 14.497 1.00 31.49 C ATOM 789 NH1 ARG A 95 20.549 10.700 14.504 1.00 30.21 N ATOM 790 NH2 ARG A 95 22.348 11.916 15.249 1.00 30.16 N ATOM 791 N THR A 96 18.317 15.816 16.033 1.00 10.34 N ATOM 792 CA THR A 96 18.552 16.622 17.228 1.00 11.50 C ATOM 793 C THR A 96 20.009 16.529 17.686 1.00 12.85 C ATOM 794 O THR A 96 20.712 15.547 17.399 1.00 12.01 O ATOM 795 CB THR A 96 17.652 16.167 18.378 1.00 13.81 C ATOM 796 OG1 THR A 96 18.003 14.827 18.716 1.00 13.04 O ATOM 797 CG2 THR A 96 16.178 16.204 17.966 1.00 13.80 C ATOM 798 N LYS A 97 20.461 17.551 18.407 1.00 11.05 N ATOM 799 CA LYS A 97 21.814 17.566 18.958 1.00 12.07 C ATOM 800 C LYS A 97 21.800 18.347 20.256 1.00 14.08 C ATOM 801 O LYS A 97 20.789 18.950 20.610 1.00 13.65 O ATOM 802 CB LYS A 97 22.811 18.195 17.977 1.00 14.91 C ATOM 803 CG LYS A 97 22.506 19.652 17.649 1.00 18.13 C ATOM 804 CD LYS A 97 23.587 20.275 16.773 1.00 21.48 C ATOM 805 CE LYS A 97 24.915 20.365 17.512 1.00 23.83 C ATOM 806 NZ LYS A 97 25.915 21.142 16.727 1.00 25.28 N ATOM 807 N ILE A 98 22.916 18.313 20.975 1.00 15.72 N ATOM 808 CA ILE A 98 23.090 19.157 22.147 1.00 16.58 C ATOM 809 C ILE A 98 24.145 20.185 21.792 1.00 18.75 C ATOM 810 O ILE A 98 25.187 19.840 21.230 1.00 21.21 O ATOM 811 CB ILE A 98 23.552 18.353 23.371 1.00 20.29 C ATOM 812 CG1 ILE A 98 22.421 17.461 23.875 1.00 23.22 C ATOM 813 CG2 ILE A 98 23.982 19.295 24.478 1.00 21.82 C ATOM 814 CD1 ILE A 98 21.186 18.232 24.263 1.00 25.49 C ATOM 815 N ASP A 99 23.882 21.453 22.086 1.00 15.52 N ATOM 816 CA ASP A 99 24.855 22.474 21.739 1.00 16.97 C ATOM 817 C ASP A 99 25.929 22.616 22.816 1.00 17.92 C ATOM 818 O ASP A 99 25.919 21.895 23.811 1.00 17.63 O ATOM 819 CB ASP A 99 24.179 23.812 21.384 1.00 16.15 C ATOM 820 CG ASP A 99 23.562 24.519 22.587 1.00 17.29 C ATOM 821 OD1 ASP A 99 23.895 24.198 23.747 1.00 15.63 O ATOM 822 OD2 ASP A 99 22.743 25.436 22.359 1.00 17.99 O ATOM 823 N HIS A 100 26.865 23.531 22.595 1.00 20.90 N ATOM 824 CA HIS A 100 28.028 23.655 23.462 1.00 25.06 C ATOM 825 C HIS A 100 27.643 24.027 24.893 1.00 21.79 C ATOM 826 O HIS A 100 28.385 23.756 25.832 1.00 23.61 O ATOM 827 CB HIS A 100 29.011 24.682 22.891 1.00 30.95 C ATOM 828 CG HIS A 100 29.486 24.360 21.508 1.00 38.49 C ATOM 829 ND1 HIS A 100 28.707 24.551 20.387 1.00 41.80 N ATOM 830 CD2 HIS A 100 30.664 23.855 21.064 1.00 41.49 C ATOM 831 CE1 HIS A 100 29.381 24.181 19.314 1.00 43.19 C ATOM 832 NE2 HIS A 100 30.574 23.756 19.697 1.00 43.20 N ATOM 833 N LEU A 101 26.477 24.637 25.059 1.00 17.80 N ATOM 834 CA LEU A 101 26.029 25.042 26.389 1.00 18.75 C ATOM 835 C LEU A 101 25.119 23.997 27.035 1.00 18.57 C ATOM 836 O LEU A 101 24.681 24.156 28.177 1.00 19.73 O ATOM 837 CB LEU A 101 25.339 26.406 26.325 1.00 17.73 C ATOM 838 CG LEU A 101 26.219 27.533 25.778 1.00 20.35 C ATOM 839 CD1 LEU A 101 25.468 28.864 25.772 1.00 19.91 C ATOM 840 CD2 LEU A 101 27.512 27.636 26.585 1.00 21.87 C ATOM 841 N GLY A 102 24.833 22.929 26.295 1.00 17.73 N ATOM 842 CA GLY A 102 24.053 21.830 26.830 1.00 16.56 C ATOM 843 C GLY A 102 22.575 21.811 26.472 1.00 15.81 C ATOM 844 O GLY A 102 21.833 20.978 26.988 1.00 19.64 O ATOM 845 N TYR A 103 22.139 22.706 25.590 1.00 11.46 N ATOM 846 CA TYR A 103 20.725 22.751 25.209 1.00 10.97 C ATOM 847 C TYR A 103 20.431 21.948 23.957 1.00 9.50 C ATOM 848 O TYR A 103 21.261 21.861 23.049 1.00 11.65 O ATOM 849 CB TYR A 103 20.268 24.194 24.977 1.00 11.15 C ATOM 850 CG TYR A 103 20.518 25.072 26.169 1.00 13.14 C ATOM 851 CD1 TYR A 103 19.730 24.967 27.308 1.00 12.86 C ATOM 852 CD2 TYR A 103 21.554 25.992 26.163 1.00 14.67 C ATOM 853 CE1 TYR A 103 19.970 25.775 28.419 1.00 13.27 C ATOM 854 CE2 TYR A 103 21.800 26.793 27.263 1.00 15.41 C ATOM 855 CZ TYR A 103 21.005 26.679 28.379 1.00 15.42 C ATOM 856 OH TYR A 103 21.253 27.482 29.474 1.00 18.56 O ATOM 857 N LEU A 104 19.232 21.377 23.910 1.00 8.04 N ATOM 858 CA LEU A 104 18.771 20.667 22.725 1.00 11.00 C ATOM 859 C LEU A 104 18.637 21.635 21.565 1.00 12.14 C ATOM 860 O LEU A 104 18.286 22.802 21.746 1.00 13.96 O ATOM 861 CB LEU A 104 17.412 20.013 22.983 1.00 12.71 C ATOM 862 CG LEU A 104 17.371 18.512 23.249 1.00 14.43 C ATOM 863 CD1 LEU A 104 15.949 18.076 23.624 1.00 13.43 C ATOM 864 CD2 LEU A 104 17.874 17.753 22.028 1.00 13.99 C ATOM 865 N GLU A 105 18.930 21.143 20.371 1.00 10.53 N ATOM 866 CA GLU A 105 18.695 21.909 19.160 1.00 11.09 C ATOM 867 C GLU A 105 18.294 20.929 18.077 1.00 12.19 C ATOM 868 O GLU A 105 18.703 19.768 18.098 1.00 12.89 O ATOM 869 CB GLU A 105 19.967 22.652 18.742 1.00 13.02 C ATOM 870 CG GLU A 105 19.752 23.784 17.746 1.00 17.88 C ATOM 871 CD GLU A 105 20.980 24.674 17.625 1.00 20.14 C ATOM 872 OE1 GLU A 105 22.095 24.120 17.502 1.00 22.26 O ATOM 873 OE2 GLU A 105 20.829 25.918 17.665 1.00 19.57 O ATOM 874 N CYS A 106 17.487 21.412 17.140 1.00 10.33 N ATOM 875 CA ACYS A 106 17.061 20.641 15.988 0.60 11.30 C ATOM 876 CA BCYS A 106 17.086 20.622 15.978 0.40 10.98 C ATOM 877 C CYS A 106 17.824 21.126 14.747 1.00 9.88 C ATOM 878 O CYS A 106 17.983 22.323 14.553 1.00 10.85 O ATOM 879 CB ACYS A 106 15.556 20.851 15.824 0.60 12.34 C ATOM 880 CB BCYS A 106 15.573 20.704 15.744 0.40 11.89 C ATOM 881 SG ACYS A 106 14.845 20.229 14.327 0.60 17.79 S ATOM 882 SG BCYS A 106 14.580 19.601 16.772 0.40 25.99 S ATOM 883 N ILE A 107 18.295 20.198 13.917 1.00 10.65 N ATOM 884 CA ILE A 107 19.058 20.570 12.730 1.00 11.34 C ATOM 885 C ILE A 107 18.502 19.919 11.474 1.00 11.46 C ATOM 886 O ILE A 107 18.160 18.737 11.470 1.00 14.04 O ATOM 887 CB ILE A 107 20.547 20.164 12.847 1.00 12.02 C ATOM 888 CG1 ILE A 107 21.148 20.631 14.177 1.00 15.12 C ATOM 889 CG2 ILE A 107 21.335 20.749 11.672 1.00 13.92 C ATOM 890 CD1 ILE A 107 21.332 22.123 14.260 1.00 15.92 C ATOM 891 N LEU A 108 18.394 20.705 10.409 1.00 10.47 N ATOM 892 CA LEU A 108 18.120 20.160 9.084 1.00 12.11 C ATOM 893 C LEU A 108 19.303 20.452 8.172 1.00 11.63 C ATOM 894 O LEU A 108 19.436 21.555 7.630 1.00 12.09 O ATOM 895 CB LEU A 108 16.834 20.751 8.492 1.00 14.20 C ATOM 896 CG LEU A 108 15.525 20.290 9.143 1.00 14.96 C ATOM 897 CD1 LEU A 108 15.345 20.929 10.506 1.00 14.93 C ATOM 898 CD2 LEU A 108 14.339 20.646 8.253 1.00 17.52 C ATOM 899 N HIS A 109 20.184 19.463 8.043 1.00 13.37 N ATOM 900 CA HIS A 109 21.313 19.536 7.136 1.00 12.13 C ATOM 901 C HIS A 109 20.851 19.339 5.702 1.00 12.39 C ATOM 902 O HIS A 109 19.883 18.623 5.448 1.00 14.74 O ATOM 903 CB HIS A 109 22.329 18.433 7.465 1.00 13.22 C ATOM 904 CG HIS A 109 23.057 18.652 8.755 1.00 16.25 C ATOM 905 ND1 HIS A 109 24.012 19.634 8.909 1.00 18.13 N ATOM 906 CD2 HIS A 109 22.968 18.020 9.945 1.00 17.10 C ATOM 907 CE1 HIS A 109 24.476 19.600 10.145 1.00 17.21 C ATOM 908 NE2 HIS A 109 23.863 18.631 10.797 1.00 17.84 N ATOM 909 N GLY A 110 21.563 19.951 4.767 1.00 13.38 N ATOM 910 CA GLY A 110 21.346 19.658 3.358 1.00 13.21 C ATOM 911 C GLY A 110 21.373 18.160 3.097 1.00 17.05 C ATOM 912 O GLY A 110 22.168 17.428 3.690 1.00 16.74 O ATOM 913 N ASP A 111 20.494 17.703 2.211 1.00 16.90 N ATOM 914 CA ASP A 111 20.358 16.283 1.911 1.00 18.04 C ATOM 915 C ASP A 111 19.986 16.130 0.440 1.00 19.55 C ATOM 916 O ASP A 111 18.922 15.610 0.107 1.00 19.56 O ATOM 917 CB ASP A 111 19.293 15.648 2.813 1.00 17.77 C ATOM 918 CG ASP A 111 19.153 14.141 2.606 1.00 18.52 C ATOM 919 OD1 ASP A 111 20.077 13.511 2.048 1.00 16.29 O ATOM 920 OD2 ASP A 111 18.117 13.583 3.027 1.00 18.60 O ATOM 921 N SER A 112 20.870 16.603 -0.433 1.00 21.74 N ATOM 922 CA SER A 112 20.654 16.497 -1.875 1.00 25.03 C ATOM 923 C SER A 112 20.548 15.049 -2.341 1.00 25.27 C ATOM 924 O SER A 112 19.873 14.756 -3.331 1.00 26.02 O ATOM 925 CB SER A 112 21.761 17.221 -2.647 1.00 28.59 C ATOM 926 OG SER A 112 21.527 18.618 -2.676 1.00 31.81 O ATOM 927 N ALA A 113 21.207 14.145 -1.618 1.00 25.62 N ATOM 928 CA ALA A 113 21.161 12.723 -1.942 1.00 26.53 C ATOM 929 C ALA A 113 19.805 12.103 -1.620 1.00 25.57 C ATOM 930 O ALA A 113 19.534 10.972 -2.013 1.00 25.95 O ATOM 931 CB ALA A 113 22.270 11.969 -1.215 1.00 26.83 C ATOM 932 N LYS A 114 18.961 12.841 -0.901 1.00 22.34 N ATOM 933 CA LYS A 114 17.628 12.358 -0.539 1.00 22.64 C ATOM 934 C LYS A 114 17.698 11.033 0.206 1.00 22.21 C ATOM 935 O LYS A 114 16.952 10.092 -0.084 1.00 23.21 O ATOM 936 CB LYS A 114 16.739 12.229 -1.776 1.00 25.81 C ATOM 937 CG LYS A 114 16.358 13.568 -2.393 1.00 29.15 C ATOM 938 CD LYS A 114 15.421 13.386 -3.575 1.00 32.86 C ATOM 939 CE LYS A 114 14.831 14.718 -4.018 1.00 34.81 C ATOM 940 NZ LYS A 114 13.808 14.532 -5.087 1.00 36.54 N ATOM 941 N ARG A 115 18.597 10.974 1.178 1.00 20.43 N ATOM 942 CA ARG A 115 18.791 9.770 1.963 1.00 20.95 C ATOM 943 C ARG A 115 17.797 9.681 3.115 1.00 19.71 C ATOM 944 O ARG A 115 17.331 8.587 3.459 1.00 20.04 O ATOM 945 CB ARG A 115 20.231 9.723 2.489 1.00 22.88 C ATOM 946 CG ARG A 115 20.475 8.708 3.610 1.00 22.96 C ATOM 947 CD ARG A 115 20.287 7.267 3.166 1.00 24.74 C ATOM 948 NE ARG A 115 20.589 6.349 4.263 1.00 26.24 N ATOM 949 CZ ARG A 115 19.747 6.068 5.254 1.00 28.35 C ATOM 950 NH1 ARG A 115 18.543 6.627 5.286 1.00 27.62 N ATOM 951 NH2 ARG A 115 20.107 5.230 6.217 1.00 27.84 N ATOM 952 N TYR A 116 17.441 10.832 3.686 1.00 17.84 N ATOM 953 CA TYR A 116 16.765 10.853 4.983 1.00 17.07 C ATOM 954 C TYR A 116 15.285 11.244 5.003 1.00 18.99 C ATOM 955 O TYR A 116 14.653 11.234 6.063 1.00 18.31 O ATOM 956 CB TYR A 116 17.556 11.716 5.955 1.00 16.68 C ATOM 957 CG TYR A 116 18.899 11.106 6.246 1.00 19.74 C ATOM 958 CD1 TYR A 116 18.994 9.888 6.910 1.00 21.74 C ATOM 959 CD2 TYR A 116 20.068 11.730 5.843 1.00 19.03 C ATOM 960 CE1 TYR A 116 20.219 9.313 7.171 1.00 22.21 C ATOM 961 CE2 TYR A 116 21.297 11.164 6.100 1.00 20.45 C ATOM 962 CZ TYR A 116 21.365 9.954 6.765 1.00 22.21 C ATOM 963 OH TYR A 116 22.587 9.392 7.026 1.00 21.58 O ATOM 964 N ASN A 117 14.735 11.576 3.841 1.00 18.61 N ATOM 965 CA ASN A 117 13.306 11.828 3.741 1.00 19.39 C ATOM 966 C ASN A 117 12.863 12.910 4.720 1.00 16.83 C ATOM 967 O ASN A 117 11.812 12.794 5.354 1.00 15.33 O ATOM 968 CB ASN A 117 12.534 10.540 4.020 1.00 22.36 C ATOM 969 CG ASN A 117 11.098 10.615 3.565 1.00 26.40 C ATOM 970 OD1 ASN A 117 10.773 11.331 2.616 1.00 27.78 O ATOM 971 ND2 ASN A 117 10.223 9.880 4.244 1.00 28.45 N HETATM 972 N MSE A 118 13.671 13.956 4.843 1.00 15.74 N HETATM 973 CA MSE A 118 13.362 15.047 5.758 1.00 17.56 C HETATM 974 C MSE A 118 12.429 16.039 5.097 1.00 15.01 C HETATM 975 O MSE A 118 12.504 16.273 3.891 1.00 17.27 O HETATM 976 CB MSE A 118 14.633 15.782 6.178 1.00 22.35 C HETATM 977 CG MSE A 118 15.261 15.301 7.463 1.00 25.18 C HETATM 978 SE MSE A 118 16.836 16.389 7.832 1.00 34.60 SE HETATM 979 CE MSE A 118 17.562 16.147 6.041 1.00 4.69 C ATOM 980 N SER A 119 11.561 16.651 5.885 1.00 11.06 N ATOM 981 CA SER A 119 10.702 17.683 5.328 1.00 11.04 C ATOM 982 C SER A 119 10.184 18.605 6.409 1.00 12.51 C ATOM 983 O SER A 119 10.163 18.262 7.591 1.00 12.72 O ATOM 984 CB SER A 119 9.527 17.067 4.567 1.00 13.15 C ATOM 985 OG SER A 119 8.692 16.307 5.425 1.00 13.59 O ATOM 986 N ILE A 120 9.776 19.794 5.990 1.00 11.25 N ATOM 987 CA ILE A 120 9.017 20.671 6.860 1.00 10.11 C ATOM 988 C ILE A 120 7.943 21.268 5.980 1.00 12.77 C ATOM 989 O ILE A 120 8.220 21.712 4.862 1.00 15.71 O ATOM 990 CB ILE A 120 9.909 21.754 7.495 1.00 13.45 C ATOM 991 CG1 ILE A 120 9.055 22.821 8.184 1.00 14.43 C ATOM 992 CG2 ILE A 120 10.831 22.374 6.463 1.00 18.65 C ATOM 993 CD1 ILE A 120 9.852 23.727 9.103 1.00 18.85 C ATOM 994 N GLU A 121 6.702 21.221 6.432 1.00 12.39 N ATOM 995 CA GLU A 121 5.649 21.874 5.668 1.00 14.96 C ATOM 996 C GLU A 121 4.688 22.575 6.619 1.00 14.66 C ATOM 997 O GLU A 121 4.640 22.285 7.819 1.00 12.49 O ATOM 998 CB GLU A 121 4.925 20.890 4.733 1.00 19.55 C ATOM 999 CG GLU A 121 5.801 20.256 3.603 1.00 28.43 C ATOM 1000 CD GLU A 121 6.060 21.171 2.384 1.00 29.30 C ATOM 1001 OE1 GLU A 121 5.832 22.393 2.479 1.00 26.27 O ATOM 1002 OE2 GLU A 121 6.496 20.661 1.316 1.00 30.26 O ATOM 1003 N LYS A 122 3.946 23.529 6.085 1.00 13.53 N ATOM 1004 CA LYS A 122 2.961 24.222 6.892 1.00 13.18 C ATOM 1005 C LYS A 122 1.781 23.309 7.120 1.00 15.83 C ATOM 1006 O LYS A 122 1.461 22.466 6.279 1.00 18.48 O ATOM 1007 CB LYS A 122 2.473 25.478 6.178 1.00 13.06 C ATOM 1008 CG LYS A 122 3.502 26.553 6.048 1.00 16.02 C ATOM 1009 CD LYS A 122 2.861 27.811 5.470 1.00 17.61 C ATOM 1010 CE LYS A 122 3.890 28.896 5.279 1.00 19.90 C ATOM 1011 NZ LYS A 122 3.244 30.199 4.947 1.00 22.05 N ATOM 1012 N VAL A 123 1.131 23.486 8.258 1.00 14.96 N ATOM 1013 CA VAL A 123 -0.082 22.763 8.561 1.00 17.00 C ATOM 1014 C VAL A 123 -1.182 23.793 8.740 1.00 21.05 C ATOM 1015 O VAL A 123 -1.078 24.675 9.599 1.00 20.96 O ATOM 1016 CB VAL A 123 0.070 21.971 9.858 1.00 17.81 C ATOM 1017 CG1 VAL A 123 -1.218 21.226 10.179 1.00 19.49 C ATOM 1018 CG2 VAL A 123 1.243 21.004 9.745 1.00 15.83 C ATOM 1019 N ASP A 124 -2.226 23.698 7.922 1.00 23.54 N ATOM 1020 CA ASP A 124 -3.352 24.612 8.052 1.00 28.16 C ATOM 1021 C ASP A 124 -3.847 24.616 9.495 1.00 28.09 C ATOM 1022 O ASP A 124 -3.988 23.561 10.118 1.00 27.80 O ATOM 1023 CB ASP A 124 -4.492 24.227 7.114 1.00 32.68 C ATOM 1024 CG ASP A 124 -5.594 25.265 7.100 1.00 37.04 C ATOM 1025 OD1 ASP A 124 -5.621 26.090 6.162 1.00 39.15 O ATOM 1026 OD2 ASP A 124 -6.416 25.274 8.042 1.00 37.78 O ATOM 1027 N SER A 125 -4.106 25.806 10.024 1.00 30.12 N ATOM 1028 CA SER A 125 -4.470 25.947 11.429 1.00 33.10 C ATOM 1029 C SER A 125 -5.678 25.097 11.823 1.00 35.65 C ATOM 1030 O SER A 125 -5.878 24.812 13.000 1.00 36.38 O ATOM 1031 CB SER A 125 -4.716 27.418 11.775 1.00 35.63 C ATOM 1032 OG SER A 125 -5.592 28.026 10.841 1.00 37.18 O ATOM 1033 N GLU A 126 -6.469 24.680 10.839 1.00 37.30 N ATOM 1034 CA GLU A 126 -7.713 23.963 11.114 1.00 38.46 C ATOM 1035 C GLU A 126 -7.525 22.462 11.333 1.00 34.61 C ATOM 1036 O GLU A 126 -8.435 21.785 11.810 1.00 34.22 O ATOM 1037 CB GLU A 126 -8.734 24.198 9.992 1.00 42.84 C ATOM 1038 CG GLU A 126 -8.580 23.269 8.789 1.00 47.24 C ATOM 1039 CD GLU A 126 -9.697 23.438 7.767 1.00 51.42 C ATOM 1040 OE1 GLU A 126 -10.064 24.595 7.463 1.00 52.34 O ATOM 1041 OE2 GLU A 126 -10.214 22.411 7.271 1.00 52.91 O ATOM 1042 N GLU A 127 -6.351 21.941 10.987 1.00 30.81 N ATOM 1043 CA GLU A 127 -6.114 20.503 11.061 1.00 26.98 C ATOM 1044 C GLU A 127 -6.188 19.987 12.491 1.00 24.33 C ATOM 1045 O GLU A 127 -5.662 20.605 13.412 1.00 23.58 O ATOM 1046 CB GLU A 127 -4.765 20.143 10.436 1.00 28.00 C ATOM 1047 CG GLU A 127 -4.608 20.591 8.992 1.00 30.29 C ATOM 1048 CD GLU A 127 -5.600 19.924 8.057 1.00 32.77 C ATOM 1049 OE1 GLU A 127 -6.302 18.989 8.498 1.00 32.90 O ATOM 1050 OE2 GLU A 127 -5.677 20.337 6.880 1.00 34.07 O ATOM 1051 N PRO A 128 -6.852 18.842 12.683 1.00 23.90 N ATOM 1052 CA PRO A 128 -7.041 18.265 14.019 1.00 23.20 C ATOM 1053 C PRO A 128 -5.736 17.774 14.648 1.00 21.91 C ATOM 1054 O PRO A 128 -5.665 17.595 15.865 1.00 20.10 O ATOM 1055 CB PRO A 128 -7.984 17.094 13.761 1.00 23.28 C ATOM 1056 CG PRO A 128 -7.747 16.725 12.333 1.00 22.92 C ATOM 1057 CD PRO A 128 -7.440 18.006 11.621 1.00 22.70 C ATOM 1058 N GLU A 129 -4.714 17.564 13.826 1.00 20.77 N ATOM 1059 CA GLU A 129 -3.403 17.191 14.338 1.00 19.71 C ATOM 1060 C GLU A 129 -2.861 18.261 15.288 1.00 18.40 C ATOM 1061 O GLU A 129 -1.967 17.993 16.088 1.00 19.19 O ATOM 1062 CB GLU A 129 -2.414 16.961 13.192 1.00 22.14 C ATOM 1063 CG GLU A 129 -2.575 15.627 12.479 1.00 24.22 C ATOM 1064 CD GLU A 129 -3.723 15.611 11.483 1.00 26.78 C ATOM 1065 OE1 GLU A 129 -4.400 16.646 11.319 1.00 25.62 O ATOM 1066 OE2 GLU A 129 -3.941 14.554 10.855 1.00 30.77 O ATOM 1067 N LEU A 130 -3.420 19.463 15.205 1.00 16.62 N ATOM 1068 CA LEU A 130 -2.955 20.589 16.018 1.00 17.11 C ATOM 1069 C LEU A 130 -3.789 20.798 17.284 1.00 18.69 C ATOM 1070 O LEU A 130 -3.507 21.698 18.078 1.00 18.76 O ATOM 1071 CB LEU A 130 -2.966 21.877 15.190 1.00 17.28 C ATOM 1072 CG LEU A 130 -2.229 21.865 13.849 1.00 17.34 C ATOM 1073 CD1 LEU A 130 -2.427 23.192 13.119 1.00 18.49 C ATOM 1074 CD2 LEU A 130 -0.747 21.566 14.050 1.00 17.15 C ATOM 1075 N ASN A 131 -4.819 19.981 17.478 1.00 19.86 N ATOM 1076 CA ASN A 131 -5.729 20.197 18.606 1.00 20.64 C ATOM 1077 C ASN A 131 -5.045 20.202 19.970 1.00 20.11 C ATOM 1078 O ASN A 131 -5.381 21.014 20.834 1.00 22.24 O ATOM 1079 CB ASN A 131 -6.874 19.177 18.596 1.00 22.09 C ATOM 1080 CG ASN A 131 -7.905 19.469 17.524 1.00 23.56 C ATOM 1081 OD1 ASN A 131 -7.882 20.525 16.892 1.00 24.87 O ATOM 1082 ND2 ASN A 131 -8.823 18.529 17.318 1.00 24.05 N ATOM 1083 N GLU A 132 -4.097 19.292 20.166 1.00 19.41 N ATOM 1084 CA GLU A 132 -3.410 19.188 21.450 1.00 21.26 C ATOM 1085 C GLU A 132 -2.505 20.389 21.719 1.00 19.40 C ATOM 1086 O GLU A 132 -2.420 20.873 22.849 1.00 18.79 O ATOM 1087 CB GLU A 132 -2.628 17.877 21.551 1.00 27.17 C ATOM 1088 CG GLU A 132 -3.514 16.634 21.619 1.00 34.23 C ATOM 1089 CD GLU A 132 -4.479 16.659 22.795 1.00 41.33 C ATOM 1090 OE1 GLU A 132 -4.102 17.167 23.875 1.00 44.73 O ATOM 1091 OE2 GLU A 132 -5.619 16.172 22.642 1.00 44.02 O ATOM 1092 N ILE A 133 -1.834 20.873 20.680 1.00 17.25 N ATOM 1093 CA ILE A 133 -1.032 22.085 20.797 1.00 16.22 C ATOM 1094 C ILE A 133 -1.898 23.252 21.252 1.00 18.17 C ATOM 1095 O ILE A 133 -1.546 23.984 22.185 1.00 18.92 O ATOM 1096 CB ILE A 133 -0.378 22.439 19.452 1.00 15.95 C ATOM 1097 CG1 ILE A 133 0.779 21.472 19.168 1.00 16.53 C ATOM 1098 CG2 ILE A 133 0.088 23.889 19.445 1.00 16.59 C ATOM 1099 CD1 ILE A 133 1.370 21.626 17.785 1.00 18.97 C ATOM 1100 N LYS A 134 -3.041 23.410 20.592 1.00 17.35 N ATOM 1101 CA LYS A 134 -3.981 24.465 20.934 1.00 19.26 C ATOM 1102 C LYS A 134 -4.557 24.317 22.348 1.00 20.61 C ATOM 1103 O LYS A 134 -4.691 25.304 23.071 1.00 21.08 O ATOM 1104 CB LYS A 134 -5.103 24.526 19.899 1.00 20.56 C ATOM 1105 CG LYS A 134 -4.637 24.909 18.499 1.00 22.35 C ATOM 1106 CD LYS A 134 -5.821 25.035 17.560 1.00 24.51 C ATOM 1107 CE LYS A 134 -5.383 25.380 16.160 1.00 27.28 C ATOM 1108 NZ LYS A 134 -6.565 25.529 15.260 1.00 30.32 N ATOM 1109 N SER A 135 -4.889 23.095 22.754 1.00 20.84 N ATOM 1110 CA SER A 135 -5.464 22.903 24.085 1.00 22.60 C ATOM 1111 C SER A 135 -4.429 23.183 25.174 1.00 20.44 C ATOM 1112 O SER A 135 -4.744 23.784 26.203 1.00 19.23 O ATOM 1113 CB SER A 135 -6.082 21.509 24.243 1.00 25.73 C ATOM 1114 OG SER A 135 -5.124 20.489 24.028 1.00 30.37 O ATOM 1115 N ARG A 136 -3.189 22.766 24.941 1.00 18.38 N ATOM 1116 CA ARG A 136 -2.121 23.068 25.888 1.00 16.57 C ATOM 1117 C ARG A 136 -1.780 24.554 25.921 1.00 17.44 C ATOM 1118 O ARG A 136 -1.466 25.095 26.981 1.00 16.50 O ATOM 1119 CB ARG A 136 -0.872 22.246 25.588 1.00 13.39 C ATOM 1120 CG ARG A 136 -1.061 20.758 25.819 1.00 14.57 C ATOM 1121 CD ARG A 136 0.259 20.040 25.727 1.00 15.81 C ATOM 1122 NE ARG A 136 0.808 20.097 24.378 1.00 15.78 N ATOM 1123 CZ ARG A 136 0.705 19.114 23.492 1.00 16.21 C ATOM 1124 NH1 ARG A 136 0.072 17.992 23.818 1.00 19.14 N ATOM 1125 NH2 ARG A 136 1.241 19.248 22.289 1.00 14.16 N ATOM 1126 N LYS A 137 -1.831 25.217 24.770 1.00 17.65 N ATOM 1127 CA LYS A 137 -1.511 26.637 24.749 1.00 20.04 C ATOM 1128 C LYS A 137 -2.451 27.411 25.669 1.00 22.07 C ATOM 1129 O LYS A 137 -2.039 28.377 26.310 1.00 22.90 O ATOM 1130 CB LYS A 137 -1.536 27.228 23.332 1.00 22.17 C ATOM 1131 CG LYS A 137 -1.229 28.724 23.337 1.00 25.21 C ATOM 1132 CD LYS A 137 -1.219 29.341 21.944 1.00 28.98 C ATOM 1133 CE LYS A 137 -0.971 30.845 22.043 1.00 30.43 C ATOM 1134 NZ LYS A 137 -0.910 31.524 20.713 1.00 33.03 N ATOM 1135 N ARG A 138 -3.703 26.971 25.745 1.00 21.83 N ATOM 1136 CA ARG A 138 -4.686 27.613 26.617 1.00 26.43 C ATOM 1137 C ARG A 138 -4.242 27.636 28.085 1.00 27.59 C ATOM 1138 O ARG A 138 -4.624 28.530 28.841 1.00 28.74 O ATOM 1139 CB ARG A 138 -6.059 26.946 26.478 1.00 29.60 C ATOM 1140 CG ARG A 138 -6.703 27.138 25.113 1.00 34.08 C ATOM 1141 CD ARG A 138 -8.197 26.813 25.125 1.00 38.73 C ATOM 1142 NE ARG A 138 -8.476 25.401 25.387 1.00 42.52 N ATOM 1143 CZ ARG A 138 -8.650 24.478 24.443 1.00 45.07 C ATOM 1144 NH1 ARG A 138 -8.565 24.805 23.158 1.00 45.86 N ATOM 1145 NH2 ARG A 138 -8.905 23.221 24.785 1.00 45.49 N ATOM 1146 N LEU A 139 -3.427 26.665 28.483 1.00 26.74 N ATOM 1147 CA LEU A 139 -2.924 26.616 29.857 1.00 28.79 C ATOM 1148 C LEU A 139 -1.920 27.729 30.168 1.00 29.46 C ATOM 1149 O LEU A 139 -1.717 28.079 31.333 1.00 29.74 O ATOM 1150 CB LEU A 139 -2.290 25.256 30.146 1.00 30.63 C ATOM 1151 CG LEU A 139 -3.179 24.034 29.906 1.00 32.76 C ATOM 1152 CD1 LEU A 139 -2.365 22.753 30.016 1.00 33.55 C ATOM 1153 CD2 LEU A 139 -4.355 24.016 30.867 1.00 33.58 C ATOM 1154 N TYR A 140 -1.296 28.286 29.133 1.00 28.14 N ATOM 1155 CA TYR A 140 -0.218 29.257 29.326 1.00 29.09 C ATOM 1156 C TYR A 140 -0.564 30.682 28.887 1.00 33.84 C ATOM 1157 O TYR A 140 0.296 31.568 28.898 1.00 34.66 O ATOM 1158 CB TYR A 140 1.061 28.766 28.637 1.00 26.67 C ATOM 1159 CG TYR A 140 1.475 27.405 29.140 1.00 27.40 C ATOM 1160 CD1 TYR A 140 2.184 27.269 30.329 1.00 27.54 C ATOM 1161 CD2 TYR A 140 1.107 26.250 28.462 1.00 27.36 C ATOM 1162 CE1 TYR A 140 2.538 26.019 30.812 1.00 26.40 C ATOM 1163 CE2 TYR A 140 1.460 24.993 28.937 1.00 27.85 C ATOM 1164 CZ TYR A 140 2.176 24.885 30.112 1.00 26.47 C ATOM 1165 OH TYR A 140 2.529 23.642 30.592 1.00 24.67 O ATOM 1166 N VAL A 141 -1.820 30.908 28.518 1.00 36.40 N ATOM 1167 CA VAL A 141 -2.253 32.235 28.089 1.00 39.85 C ATOM 1168 C VAL A 141 -2.919 33.013 29.223 1.00 42.25 C ATOM 1169 O VAL A 141 -3.470 32.424 30.153 1.00 44.21 O ATOM 1170 CB VAL A 141 -3.209 32.165 26.882 1.00 41.08 C ATOM 1171 CG1 VAL A 141 -2.462 31.703 25.639 1.00 41.80 C ATOM 1172 CG2 VAL A 141 -4.381 31.249 27.185 1.00 40.99 C TER 1173 VAL A 141 ATOM 1174 O5' DG B 1 30.879 22.049 8.776 1.00 42.80 O ATOM 1175 C5' DG B 1 31.546 23.264 8.448 1.00 41.02 C ATOM 1176 C4' DG B 1 30.660 24.470 8.715 1.00 39.15 C ATOM 1177 O4' DG B 1 29.546 24.490 7.783 1.00 34.71 O ATOM 1178 C3' DG B 1 30.027 24.516 10.104 1.00 39.94 C ATOM 1179 O3' DG B 1 30.905 25.129 11.075 1.00 44.77 O ATOM 1180 C2' DG B 1 28.731 25.291 9.875 1.00 35.27 C ATOM 1181 C1' DG B 1 28.362 24.906 8.441 1.00 30.52 C ATOM 1182 N9 DG B 1 27.374 23.836 8.296 1.00 21.42 N ATOM 1183 C8 DG B 1 27.018 22.847 9.181 1.00 20.77 C ATOM 1184 N7 DG B 1 26.094 22.042 8.717 1.00 20.18 N ATOM 1185 C5 DG B 1 25.820 22.530 7.447 1.00 17.64 C ATOM 1186 C6 DG B 1 24.913 22.084 6.453 1.00 16.44 C ATOM 1187 O6 DG B 1 24.131 21.124 6.485 1.00 16.85 O ATOM 1188 N1 DG B 1 24.974 22.876 5.317 1.00 16.23 N ATOM 1189 C2 DG B 1 25.796 23.962 5.148 1.00 18.60 C ATOM 1190 N2 DG B 1 25.719 24.611 3.976 1.00 20.67 N ATOM 1191 N3 DG B 1 26.647 24.387 6.065 1.00 18.98 N ATOM 1192 C4 DG B 1 26.606 23.627 7.178 1.00 17.96 C ATOM 1193 P DG B 2 31.351 26.668 10.922 1.00 69.64 P ATOM 1194 OP1 DG B 2 31.214 27.051 9.498 1.00 70.03 O ATOM 1195 OP2 DG B 2 32.648 26.836 11.614 1.00 69.04 O ATOM 1196 O5' DG B 2 30.230 27.471 11.730 1.00 31.74 O ATOM 1197 C5' DG B 2 29.857 28.767 11.274 1.00 31.29 C ATOM 1198 C4' DG B 2 28.753 29.359 12.135 1.00 29.48 C ATOM 1199 O4' DG B 2 27.540 28.594 11.951 1.00 27.91 O ATOM 1200 C3' DG B 2 29.000 29.349 13.640 1.00 27.87 C ATOM 1201 O3' DG B 2 29.700 30.532 13.999 1.00 27.50 O ATOM 1202 C2' DG B 2 27.584 29.360 14.209 1.00 26.48 C ATOM 1203 C1' DG B 2 26.798 28.591 13.156 1.00 24.58 C ATOM 1204 N9 DG B 2 26.533 27.195 13.479 1.00 20.34 N ATOM 1205 C8 DG B 2 27.221 26.096 13.024 1.00 19.72 C ATOM 1206 N7 DG B 2 26.746 24.967 13.474 1.00 19.07 N ATOM 1207 C5 DG B 2 25.675 25.350 14.275 1.00 17.08 C ATOM 1208 C6 DG B 2 24.774 24.566 15.020 1.00 17.30 C ATOM 1209 O6 DG B 2 24.743 23.338 15.124 1.00 17.64 O ATOM 1210 N1 DG B 2 23.838 25.351 15.691 1.00 16.75 N ATOM 1211 C2 DG B 2 23.782 26.722 15.640 1.00 16.88 C ATOM 1212 N2 DG B 2 22.810 27.309 16.354 1.00 18.26 N ATOM 1213 N3 DG B 2 24.623 27.473 14.943 1.00 16.62 N ATOM 1214 C4 DG B 2 25.533 26.717 14.287 1.00 17.77 C ATOM 1215 P DT B 3 30.269 30.727 15.491 1.00 30.42 P ATOM 1216 OP1 DT B 3 31.202 31.881 15.473 1.00 30.61 O ATOM 1217 OP2 DT B 3 30.722 29.418 15.993 1.00 29.59 O ATOM 1218 O5' DT B 3 28.978 31.139 16.340 1.00 25.61 O ATOM 1219 C5' DT B 3 28.254 32.305 15.986 1.00 23.40 C ATOM 1220 C4' DT B 3 27.224 32.553 17.064 1.00 20.48 C ATOM 1221 O4' DT B 3 26.329 31.414 17.133 1.00 19.46 O ATOM 1222 C3' DT B 3 27.819 32.732 18.454 1.00 20.60 C ATOM 1223 O3' DT B 3 27.166 33.857 19.020 1.00 20.99 O ATOM 1224 C2' DT B 3 27.516 31.409 19.167 1.00 19.95 C ATOM 1225 C1' DT B 3 26.264 30.914 18.453 1.00 17.88 C ATOM 1226 N1 DT B 3 26.200 29.431 18.374 1.00 17.38 N ATOM 1227 C2 DT B 3 25.113 28.781 18.914 1.00 16.77 C ATOM 1228 O2 DT B 3 24.193 29.374 19.445 1.00 17.05 O ATOM 1229 N3 DT B 3 25.148 27.415 18.797 1.00 18.37 N ATOM 1230 C4 DT B 3 26.147 26.662 18.198 1.00 20.35 C ATOM 1231 O4 DT B 3 26.095 25.437 18.135 1.00 21.31 O ATOM 1232 C5 DT B 3 27.256 27.409 17.657 1.00 20.14 C ATOM 1233 C7 DT B 3 28.401 26.702 16.984 1.00 20.75 C ATOM 1234 C6 DT B 3 27.229 28.742 17.767 1.00 18.24 C ATOM 1235 P DT B 4 27.371 34.225 20.568 1.00 22.74 P ATOM 1236 OP1 DT B 4 27.426 35.704 20.683 1.00 25.75 O ATOM 1237 OP2 DT B 4 28.493 33.419 21.093 1.00 22.18 O ATOM 1238 O5' DT B 4 26.025 33.695 21.246 1.00 17.79 O ATOM 1239 C5' DT B 4 24.775 34.119 20.710 1.00 15.97 C ATOM 1240 C4' DT B 4 23.649 33.449 21.476 1.00 16.53 C ATOM 1241 O4' DT B 4 23.763 32.014 21.290 1.00 15.80 O ATOM 1242 C3' DT B 4 23.652 33.671 22.989 1.00 16.68 C ATOM 1243 O3' DT B 4 22.306 33.715 23.398 1.00 18.53 O ATOM 1244 C2' DT B 4 24.323 32.400 23.500 1.00 15.35 C ATOM 1245 C1' DT B 4 23.699 31.384 22.548 1.00 13.72 C ATOM 1246 N1 DT B 4 24.387 30.062 22.423 1.00 15.14 N ATOM 1247 C2 DT B 4 23.608 28.922 22.460 1.00 15.68 C ATOM 1248 O2 DT B 4 22.401 28.954 22.608 1.00 16.08 O ATOM 1249 N3 DT B 4 24.299 27.746 22.328 1.00 14.68 N ATOM 1250 C4 DT B 4 25.664 27.615 22.150 1.00 17.22 C ATOM 1251 O4 DT B 4 26.202 26.522 22.037 1.00 17.88 O ATOM 1252 C5 DT B 4 26.417 28.847 22.108 1.00 18.13 C ATOM 1253 C7 DT B 4 27.907 28.808 21.925 1.00 20.78 C ATOM 1254 C6 DT B 4 25.750 30.003 22.240 1.00 16.61 C ATOM 1255 P DA B 5 21.880 34.473 24.752 1.00 18.35 P ATOM 1256 OP1 DA B 5 22.456 35.840 24.718 1.00 17.66 O ATOM 1257 OP2 DA B 5 22.136 33.560 25.889 1.00 16.35 O ATOM 1258 O5' DA B 5 20.301 34.604 24.605 1.00 14.32 O ATOM 1259 C5' DA B 5 19.737 35.265 23.493 1.00 14.24 C ATOM 1260 C4' DA B 5 18.264 34.914 23.391 1.00 12.46 C ATOM 1261 O4' DA B 5 18.086 33.536 22.952 1.00 13.03 O ATOM 1262 C3' DA B 5 17.497 35.012 24.698 1.00 12.73 C ATOM 1263 O3' DA B 5 16.152 35.404 24.422 1.00 13.55 O ATOM 1264 C2' DA B 5 17.611 33.586 25.254 1.00 12.14 C ATOM 1265 C1' DA B 5 17.538 32.731 23.992 1.00 12.07 C ATOM 1266 N9 DA B 5 18.365 31.527 23.996 1.00 12.05 N ATOM 1267 C8 DA B 5 19.610 31.372 24.537 1.00 12.61 C ATOM 1268 N7 DA B 5 20.119 30.170 24.346 1.00 12.37 N ATOM 1269 C5 DA B 5 19.143 29.496 23.623 1.00 10.32 C ATOM 1270 C6 DA B 5 19.069 28.185 23.107 1.00 11.74 C ATOM 1271 N6 DA B 5 20.044 27.288 23.246 1.00 15.16 N ATOM 1272 N1 DA B 5 17.954 27.830 22.440 1.00 10.51 N ATOM 1273 C2 DA B 5 16.973 28.728 22.301 1.00 10.16 C ATOM 1274 N3 DA B 5 16.927 29.987 22.742 1.00 11.86 N ATOM 1275 C4 DA B 5 18.053 30.313 23.401 1.00 10.87 C ATOM 1276 P DC B 6 15.513 36.695 25.142 1.00 12.92 P ATOM 1277 OP1 DC B 6 15.713 36.561 26.605 1.00 13.76 O ATOM 1278 OP2 DC B 6 14.143 36.869 24.638 1.00 13.05 O ATOM 1279 O5' DC B 6 16.452 37.902 24.654 1.00 13.67 O ATOM 1280 C5' DC B 6 16.244 38.516 23.387 1.00 14.68 C ATOM 1281 C4' DC B 6 17.531 39.189 22.948 1.00 16.89 C ATOM 1282 O4' DC B 6 18.458 38.178 22.486 1.00 19.12 O ATOM 1283 C3' DC B 6 17.396 40.194 21.816 1.00 20.20 C ATOM 1284 O3' DC B 6 18.231 41.289 22.183 1.00 23.69 O ATOM 1285 C2' DC B 6 17.923 39.431 20.597 1.00 18.35 C ATOM 1286 C1' DC B 6 19.001 38.562 21.229 1.00 18.57 C ATOM 1287 N1 DC B 6 19.358 37.306 20.490 1.00 20.85 N ATOM 1288 C2 DC B 6 20.693 37.081 20.139 1.00 23.99 C ATOM 1289 O2 DC B 6 21.540 37.931 20.437 1.00 28.04 O ATOM 1290 N3 DC B 6 21.021 35.946 19.479 1.00 22.33 N ATOM 1291 C4 DC B 6 20.080 35.051 19.178 1.00 20.85 C ATOM 1292 N4 DC B 6 20.470 33.944 18.528 1.00 21.67 N ATOM 1293 C5 DC B 6 18.713 35.253 19.527 1.00 19.69 C ATOM 1294 C6 DC B 6 18.398 36.384 20.179 1.00 22.49 C ATOM 1295 P DG B 7 17.811 42.795 21.816 1.00 26.47 P ATOM 1296 OP1 DG B 7 18.762 43.711 22.498 1.00 26.20 O ATOM 1297 OP2 DG B 7 16.356 42.936 22.019 1.00 23.59 O ATOM 1298 O5' DG B 7 18.051 42.873 20.234 1.00 22.76 O ATOM 1299 C5' DG B 7 19.348 43.145 19.743 1.00 20.64 C ATOM 1300 C4' DG B 7 19.368 42.856 18.261 1.00 19.06 C ATOM 1301 O4' DG B 7 19.310 41.420 18.085 1.00 16.75 O ATOM 1302 C3' DG B 7 18.175 43.416 17.497 1.00 17.29 C ATOM 1303 O3' DG B 7 18.653 44.111 16.357 1.00 17.14 O ATOM 1304 C2' DG B 7 17.411 42.176 17.050 1.00 17.75 C ATOM 1305 C1' DG B 7 18.558 41.184 16.928 1.00 15.78 C ATOM 1306 N9 DG B 7 18.120 39.793 16.902 1.00 12.80 N ATOM 1307 C8 DG B 7 16.880 39.311 17.245 1.00 14.56 C ATOM 1308 N7 DG B 7 16.783 38.016 17.122 1.00 13.25 N ATOM 1309 C5 DG B 7 18.027 37.613 16.674 1.00 11.80 C ATOM 1310 C6 DG B 7 18.499 36.316 16.352 1.00 11.48 C ATOM 1311 O6 DG B 7 17.895 35.235 16.410 1.00 10.99 O ATOM 1312 N1 DG B 7 19.815 36.352 15.927 1.00 10.69 N ATOM 1313 C2 DG B 7 20.586 37.492 15.824 1.00 10.94 C ATOM 1314 N2 DG B 7 21.834 37.296 15.398 1.00 11.44 N ATOM 1315 N3 DG B 7 20.158 38.717 16.120 1.00 11.44 N ATOM 1316 C4 DG B 7 18.870 38.700 16.532 1.00 12.31 C ATOM 1317 P DG B 8 17.807 45.322 15.729 1.00 21.94 P ATOM 1318 OP1 DG B 8 18.637 45.953 14.678 1.00 25.21 O ATOM 1319 OP2 DG B 8 17.269 46.129 16.843 1.00 23.21 O ATOM 1320 O5' DG B 8 16.542 44.606 15.058 1.00 18.31 O ATOM 1321 C5' DG B 8 16.685 43.907 13.837 1.00 20.53 C ATOM 1322 C4' DG B 8 15.395 43.175 13.506 1.00 22.05 C ATOM 1323 O4' DG B 8 15.157 42.118 14.473 1.00 20.44 O ATOM 1324 C3' DG B 8 14.127 44.029 13.529 1.00 20.43 C ATOM 1325 O3' DG B 8 13.309 43.596 12.469 1.00 20.90 O ATOM 1326 C2' DG B 8 13.474 43.643 14.855 1.00 19.90 C ATOM 1327 C1' DG B 8 13.805 42.151 14.884 1.00 18.83 C ATOM 1328 N9 DG B 8 13.794 41.479 16.180 1.00 17.56 N ATOM 1329 C8 DG B 8 13.483 40.158 16.388 1.00 16.83 C ATOM 1330 N7 DG B 8 13.580 39.789 17.636 1.00 17.15 N ATOM 1331 C5 DG B 8 13.983 40.942 18.299 1.00 18.97 C ATOM 1332 C6 DG B 8 14.246 41.144 19.670 1.00 20.39 C ATOM 1333 O6 DG B 8 14.173 40.314 20.586 1.00 19.03 O ATOM 1334 N1 DG B 8 14.635 42.460 19.939 1.00 18.97 N ATOM 1335 C2 DG B 8 14.745 43.451 18.989 1.00 19.31 C ATOM 1336 N2 DG B 8 15.132 44.659 19.437 1.00 18.85 N ATOM 1337 N3 DG B 8 14.500 43.274 17.693 1.00 20.31 N ATOM 1338 C4 DG B 8 14.125 41.995 17.418 1.00 19.91 C ATOM 1339 P DT B 9 13.391 44.300 11.027 1.00 22.59 P ATOM 1340 OP1 DT B 9 13.287 45.772 11.229 1.00 22.85 O ATOM 1341 OP2 DT B 9 12.435 43.611 10.138 1.00 23.67 O ATOM 1342 O5' DT B 9 14.853 43.935 10.503 1.00 31.09 O ATOM 1343 C5' DT B 9 15.773 44.944 10.111 1.00 28.03 C ATOM 1344 C4' DT B 9 17.015 44.287 9.541 1.00 25.13 C ATOM 1345 O4' DT B 9 17.398 43.189 10.409 1.00 19.14 O ATOM 1346 C3' DT B 9 16.814 43.647 8.175 1.00 26.69 C ATOM 1347 O3' DT B 9 17.071 44.590 7.148 1.00 29.54 O ATOM 1348 C2' DT B 9 17.862 42.544 8.151 1.00 21.95 C ATOM 1349 C1' DT B 9 17.945 42.148 9.618 1.00 19.51 C ATOM 1350 N1 DT B 9 17.195 40.895 9.874 1.00 16.10 N ATOM 1351 C2 DT B 9 17.849 39.709 9.664 1.00 14.23 C ATOM 1352 O2 DT B 9 19.005 39.630 9.274 1.00 14.85 O ATOM 1353 N3 DT B 9 17.094 38.596 9.931 1.00 11.86 N ATOM 1354 C4 DT B 9 15.788 38.546 10.359 1.00 13.62 C ATOM 1355 O4 DT B 9 15.207 37.486 10.551 1.00 13.36 O ATOM 1356 C5 DT B 9 15.158 39.827 10.559 1.00 17.76 C ATOM 1357 C7 DT B 9 13.736 39.881 11.037 1.00 20.25 C ATOM 1358 C6 DT B 9 15.884 40.933 10.312 1.00 17.34 C TER 1359 DT B 9 HETATM 1360 O HOH A 201 10.768 38.157 16.072 1.00 23.69 O HETATM 1361 O HOH A 202 9.835 28.474 25.521 1.00 8.61 O HETATM 1362 O HOH A 203 17.605 21.070 33.016 1.00 27.38 O HETATM 1363 O HOH A 204 17.014 25.250 21.594 1.00 8.48 O HETATM 1364 O HOH A 205 7.998 35.507 10.390 1.00 22.39 O HETATM 1365 O HOH A 206 -0.050 27.354 9.731 1.00 20.86 O HETATM 1366 O HOH A 207 6.877 17.591 6.847 1.00 16.95 O HETATM 1367 O HOH A 208 15.500 25.832 23.758 1.00 10.72 O HETATM 1368 O HOH A 209 10.684 10.249 12.749 1.00 33.01 O HETATM 1369 O HOH A 210 11.511 14.834 1.641 1.00 28.10 O HETATM 1370 O HOH A 211 7.364 22.491 23.306 1.00 10.63 O HETATM 1371 O HOH A 212 12.466 27.588 25.605 1.00 13.29 O HETATM 1372 O HOH A 213 3.641 18.145 19.021 1.00 12.70 O HETATM 1373 O HOH A 214 9.646 11.130 16.486 1.00 13.43 O HETATM 1374 O HOH A 215 4.141 15.917 17.601 1.00 14.97 O HETATM 1375 O HOH A 216 9.242 13.681 4.877 1.00 16.70 O HETATM 1376 O HOH A 217 0.877 19.536 6.295 1.00 32.92 O HETATM 1377 O HOH A 218 12.838 31.786 -0.813 1.00 11.82 O HETATM 1378 O HOH A 219 12.565 16.570 29.968 1.00 21.48 O HETATM 1379 O HOH A 220 19.498 32.141 11.002 1.00 12.18 O HETATM 1380 O HOH A 221 -2.854 21.607 6.413 1.00 27.40 O HETATM 1381 O HOH A 222 17.023 32.283 31.540 1.00 15.67 O HETATM 1382 O HOH A 223 -1.281 18.873 18.589 1.00 17.06 O HETATM 1383 O HOH A 224 15.837 14.699 3.092 1.00 24.82 O HETATM 1384 O HOH A 225 0.990 17.825 19.817 1.00 16.03 O HETATM 1385 O HOH A 226 19.653 16.963 9.627 1.00 17.25 O HETATM 1386 O HOH A 227 16.798 37.797 30.839 1.00 31.09 O HETATM 1387 O HOH A 228 15.733 34.927 0.439 1.00 19.49 O HETATM 1388 O HOH A 229 8.447 35.804 19.021 1.00 17.36 O HETATM 1389 O HOH A 230 4.896 19.755 29.672 1.00 19.20 O HETATM 1390 O HOH A 231 3.059 8.630 15.565 1.00 31.04 O HETATM 1391 O HOH A 232 18.532 32.760 16.348 1.00 18.79 O HETATM 1392 O HOH A 233 1.680 33.092 10.489 1.00 20.16 O HETATM 1393 O HOH A 234 12.098 36.837 26.652 1.00 19.43 O HETATM 1394 O HOH A 235 9.855 36.678 3.340 1.00 22.41 O HETATM 1395 O HOH A 236 2.433 21.244 28.914 1.00 20.46 O HETATM 1396 O HOH A 237 14.830 15.656 27.724 1.00 27.04 O HETATM 1397 O HOH A 238 10.798 37.074 18.732 1.00 19.82 O HETATM 1398 O HOH A 239 10.746 30.913 0.812 1.00 15.71 O HETATM 1399 O HOH A 240 7.876 17.363 30.222 1.00 21.10 O HETATM 1400 O HOH A 241 4.973 16.887 5.178 1.00 21.37 O HETATM 1401 O HOH A 242 22.482 36.670 11.568 1.00 26.95 O HETATM 1402 O HOH A 243 20.102 37.155 4.901 1.00 21.49 O HETATM 1403 O HOH A 244 20.227 24.965 21.469 1.00 17.31 O HETATM 1404 O HOH A 245 11.600 10.800 20.342 1.00 31.40 O HETATM 1405 O HOH A 246 15.700 42.132 24.545 1.00 20.96 O HETATM 1406 O HOH A 247 9.636 33.737 6.450 1.00 23.35 O HETATM 1407 O HOH A 248 23.213 37.633 7.681 1.00 29.04 O HETATM 1408 O HOH A 249 21.932 27.573 4.230 1.00 19.06 O HETATM 1409 O HOH A 250 20.558 32.289 21.534 1.00 21.82 O HETATM 1410 O HOH A 251 4.926 34.396 17.572 1.00 22.47 O HETATM 1411 O HOH A 252 23.126 30.096 28.456 1.00 25.04 O HETATM 1412 O HOH A 253 23.584 17.785 0.414 1.00 30.52 O HETATM 1413 O HOH A 254 2.157 14.166 17.887 1.00 26.37 O HETATM 1414 O HOH A 255 -5.255 27.857 22.080 1.00 24.67 O HETATM 1415 O HOH A 256 13.890 28.367 23.285 1.00 16.59 O HETATM 1416 O HOH A 257 -5.263 16.711 8.724 1.00 37.27 O HETATM 1417 O HOH A 258 23.237 11.967 22.872 1.00 22.52 O HETATM 1418 O HOH A 259 -3.969 28.742 19.743 1.00 25.66 O HETATM 1419 O HOH A 260 5.336 28.115 29.487 1.00 21.52 O HETATM 1420 O HOH A 261 22.701 19.327 29.006 1.00 29.27 O HETATM 1421 O HOH A 262 23.267 14.736 0.573 1.00 28.60 O HETATM 1422 O HOH A 263 0.154 15.278 19.279 1.00 27.33 O HETATM 1423 O HOH A 264 1.521 29.950 2.744 1.00 32.34 O HETATM 1424 O HOH A 265 -6.826 22.615 15.019 1.00 32.93 O HETATM 1425 O HOH A 266 21.100 31.675 3.712 1.00 20.19 O HETATM 1426 O HOH A 267 25.642 28.369 4.708 1.00 28.40 O HETATM 1427 O HOH A 268 1.722 31.419 6.618 1.00 35.71 O HETATM 1428 O HOH A 269 14.917 12.858 1.073 1.00 28.26 O HETATM 1429 O HOH A 270 5.285 20.626 32.071 1.00 36.30 O HETATM 1430 O HOH A 271 12.383 36.297 5.456 1.00 28.95 O HETATM 1431 O HOH A 272 19.874 28.309 31.553 1.00 25.59 O HETATM 1432 O HOH A 273 4.429 15.876 27.627 1.00 23.65 O HETATM 1433 O HOH A 274 11.960 9.414 16.646 1.00 29.92 O HETATM 1434 O HOH A 275 13.134 14.071 26.612 1.00 26.78 O HETATM 1435 O HOH A 276 -4.418 16.683 18.403 1.00 31.43 O HETATM 1436 O HOH A 277 13.027 41.670 7.677 1.00 25.12 O HETATM 1437 O HOH A 278 10.160 38.616 26.447 1.00 25.56 O HETATM 1438 O HOH A 279 14.388 8.662 7.541 1.00 31.24 O HETATM 1439 O HOH A 280 -7.862 22.592 20.546 1.00 38.28 O HETATM 1440 O HOH A 281 25.548 18.918 28.665 1.00 37.07 O HETATM 1441 O HOH A 282 1.327 22.513 3.737 1.00 39.30 O HETATM 1442 O HOH A 283 21.761 20.216 -0.172 1.00 25.97 O HETATM 1443 O HOH A 284 -1.662 27.452 18.796 1.00 28.49 O HETATM 1444 O HOH A 285 7.401 37.865 6.379 1.00 39.76 O HETATM 1445 O HOH A 286 22.688 13.057 2.814 1.00 29.58 O HETATM 1446 O HOH A 287 1.572 16.504 27.238 1.00 43.56 O HETATM 1447 O HOH A 288 3.681 36.231 11.177 1.00 34.07 O HETATM 1448 O HOH A 289 14.250 9.920 0.901 1.00 34.35 O HETATM 1449 O HOH A 290 22.352 14.912 5.006 1.00 37.66 O HETATM 1450 O HOH A 291 17.585 24.361 36.273 1.00 37.04 O HETATM 1451 O HOH A 292 -4.640 30.162 23.476 1.00 40.95 O HETATM 1452 O HOH A 293 -2.150 17.526 25.847 1.00 28.45 O HETATM 1453 O HOH A 294 12.944 13.935 -0.203 1.00 41.55 O HETATM 1454 O HOH A 295 8.273 38.156 11.368 1.00 33.22 O HETATM 1455 O HOH A 296 11.420 39.937 13.486 1.00 22.62 O HETATM 1456 O HOH A 297 17.592 34.641 30.128 1.00 20.56 O HETATM 1457 O HOH A 298 2.810 32.558 17.812 1.00 37.56 O HETATM 1458 O HOH A 299 0.719 18.858 29.132 1.00 38.87 O HETATM 1459 O HOH A 300 23.853 28.021 2.199 1.00 31.71 O HETATM 1460 O HOH A 301 2.991 37.035 29.847 1.00 42.40 O HETATM 1461 O HOH A 302 5.384 38.374 30.099 1.00 32.08 O HETATM 1462 O HOH A 303 4.588 30.788 29.277 1.00 17.10 O HETATM 1463 O HOH A 304 20.212 31.265 14.893 1.00 16.76 O HETATM 1464 O HOH A 305 10.913 37.656 12.478 1.00 15.91 O HETATM 1465 O HOH A 306 19.549 30.922 31.941 1.00 17.65 O HETATM 1466 O HOH A 307 13.017 37.299 15.139 1.00 16.42 O HETATM 1467 O HOH A 308 14.989 7.164 15.974 1.00 43.79 O HETATM 1468 O HOH A 309 15.692 21.598 34.964 1.00 26.44 O HETATM 1469 O HOH A 310 10.439 15.617 29.249 1.00 28.84 O HETATM 1470 O HOH A 311 11.705 44.976 21.660 1.00 33.99 O HETATM 1471 O HOH A 312 10.666 7.890 14.255 1.00 31.33 O HETATM 1472 O HOH A 313 17.271 8.037 15.548 1.00 30.34 O HETATM 1473 O HOH A 314 9.477 44.481 23.701 1.00 35.10 O HETATM 1474 O HOH A 315 7.604 18.257 32.938 1.00 36.58 O HETATM 1475 O HOH A 316 19.978 22.364 33.331 1.00 44.86 O HETATM 1476 O HOH A 317 8.385 39.460 28.585 1.00 24.90 O HETATM 1477 O HOH A 318 9.570 34.855 8.742 1.00 32.80 O HETATM 1478 O HOH A 319 20.379 14.717 8.289 1.00 32.86 O HETATM 1479 O HOH A 320 10.934 47.972 18.025 1.00 39.83 O HETATM 1480 O HOH A 321 4.002 23.589 3.272 1.00 16.98 O HETATM 1481 O HOH A 322 10.849 41.436 27.202 1.00 30.25 O HETATM 1482 O HOH A 323 5.235 14.426 4.051 1.00 45.02 O HETATM 1483 O HOH A 324 16.116 8.575 -2.295 1.00 42.68 O HETATM 1484 O HOH A 325 13.018 11.988 27.782 1.00 41.42 O HETATM 1485 O HOH A 326 13.480 14.849 31.779 1.00 39.67 O HETATM 1486 O HOH A 327 -5.137 14.837 7.568 1.00 43.82 O HETATM 1487 O HOH A 328 -1.868 31.251 17.243 1.00 33.76 O HETATM 1488 O HOH A 329 11.949 45.375 17.996 1.00 36.40 O HETATM 1489 O HOH A 330 1.562 30.561 20.106 1.00 38.94 O HETATM 1490 O HOH A 331 -0.753 15.442 22.506 1.00 35.50 O HETATM 1491 O HOH A 332 2.664 12.197 19.576 1.00 42.08 O HETATM 1492 O HOH A 333 9.435 14.285 1.624 1.00 37.07 O HETATM 1493 O HOH A 334 11.778 7.844 6.644 1.00 32.44 O HETATM 1494 O HOH A 335 4.995 17.178 29.690 1.00 37.91 O HETATM 1495 O HOH A 336 7.536 11.580 5.100 1.00 36.54 O HETATM 1496 O HOH A 337 7.131 11.035 10.260 1.00 33.71 O HETATM 1497 O HOH A 338 -1.145 15.609 16.676 1.00 35.10 O HETATM 1498 O HOH A 339 7.417 13.245 27.686 1.00 34.07 O HETATM 1499 O HOH A 340 -2.033 14.875 18.321 1.00 42.19 O HETATM 1500 O HOH A 341 3.978 10.751 21.453 1.00 43.51 O HETATM 1501 O HOH A 342 -2.302 12.386 11.055 1.00 46.49 O HETATM 1502 O HOH A 343 1.343 35.109 8.688 1.00 46.14 O HETATM 1503 O HOH B 101 22.161 30.269 16.296 1.00 19.03 O HETATM 1504 O HOH B 102 21.652 34.252 14.971 1.00 14.89 O HETATM 1505 O HOH B 103 12.661 36.583 10.341 1.00 16.40 O HETATM 1506 O HOH B 104 22.861 26.183 19.679 1.00 19.70 O HETATM 1507 O HOH B 105 15.519 34.346 28.134 1.00 11.78 O HETATM 1508 O HOH B 106 13.241 37.707 20.096 1.00 17.66 O HETATM 1509 O HOH B 107 24.314 22.379 12.401 1.00 19.33 O HETATM 1510 O HOH B 108 22.477 30.698 25.959 1.00 23.16 O HETATM 1511 O HOH B 109 23.456 37.055 22.508 1.00 22.04 O HETATM 1512 O HOH B 110 11.508 37.066 7.957 1.00 18.50 O HETATM 1513 O HOH B 111 22.757 31.786 18.509 1.00 21.25 O HETATM 1514 O HOH B 112 13.929 35.880 21.930 1.00 16.50 O HETATM 1515 O HOH B 113 30.442 29.149 19.021 1.00 32.22 O HETATM 1516 O HOH B 114 15.675 33.882 21.007 1.00 24.02 O HETATM 1517 O HOH B 115 20.505 38.736 7.149 1.00 29.16 O HETATM 1518 O HOH B 116 10.626 41.858 11.682 1.00 33.71 O HETATM 1519 O HOH B 117 14.866 47.019 17.434 1.00 36.17 O HETATM 1520 O HOH B 118 23.470 33.848 16.954 1.00 33.10 O HETATM 1521 O HOH B 119 26.608 20.698 12.288 1.00 36.30 O HETATM 1522 O HOH B 120 18.390 37.440 27.352 1.00 28.16 O HETATM 1523 O HOH B 121 23.873 36.642 18.266 1.00 32.13 O HETATM 1524 O HOH B 122 27.958 32.209 23.630 1.00 34.42 O HETATM 1525 O HOH B 123 21.515 33.963 28.480 1.00 27.44 O HETATM 1526 O HOH B 124 27.514 27.130 5.684 1.00 34.23 O HETATM 1527 O HOH B 125 10.790 39.834 7.892 1.00 29.30 O HETATM 1528 O HOH B 126 24.546 30.298 15.102 1.00 25.00 O HETATM 1529 O HOH B 127 18.591 47.762 18.650 1.00 30.10 O HETATM 1530 O HOH B 128 21.892 31.859 30.236 1.00 30.53 O HETATM 1531 O HOH B 129 26.167 36.641 22.959 1.00 28.44 O HETATM 1532 O HOH B 130 21.742 43.624 21.863 1.00 32.82 O HETATM 1533 O HOH B 131 30.725 31.324 20.777 1.00 38.64 O HETATM 1534 O HOH B 132 32.254 27.131 15.824 1.00 43.60 O CONECT 381 386 CONECT 386 381 387 CONECT 387 386 388 390 CONECT 388 387 389 394 CONECT 389 388 CONECT 390 387 391 CONECT 391 390 392 CONECT 392 391 393 CONECT 393 392 CONECT 394 388 CONECT 743 748 CONECT 748 743 749 CONECT 749 748 750 752 CONECT 750 749 751 756 CONECT 751 750 CONECT 752 749 753 CONECT 753 752 754 CONECT 754 753 755 CONECT 755 754 CONECT 756 750 CONECT 966 972 CONECT 972 966 973 CONECT 973 972 974 976 CONECT 974 973 975 980 CONECT 975 974 CONECT 976 973 977 CONECT 977 976 978 CONECT 978 977 979 CONECT 979 978 CONECT 980 974 MASTER 259 0 3 5 7 0 0 6 1529 2 30 12 END
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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
4hik
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Protection of telomeres protein 1, Pot1pC
Ligand Name
9-mer ssDNA (GGTTACGGT)
EC.Number
E.C.-.-.-.-
Resolution
1.64(Å)
Affinity (Kd/Ki/IC50)
Kd=24nM
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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